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Guanine nucleotide-binding protein G(t) subunit alpha-3

Guanine nucleotide-binding protein (G protein) alpha subunit playing a prominent role in bitter and sweet taste transduction as well as in umami (monosodium glutamate, monopotassium glutamate, and inosine monophosphate) taste transduction1,2. Transduction by this alpha subunit involves coupling of specific cell-surface receptors with a cGMP-phosphodiesterase; Activation of phosphodiesterase lowers intracellular levels of cAMP and cGMP which may open a cyclic nucleotide-suppressible cation channel leading to influx of calcium, ultimately leading to release of neurotransmitter. Indeed, denatonium and strychnine induce transient reduction in cAMP and cGMP in taste tissue, whereas this decrease is inhibited by GNAT3 antibody. Gustducin heterotrimer transduces response to bitter and sweet compounds via regulation of phosphodiesterase for alpha subunit, as well as via activation of phospholipase C for beta and gamma subunits, with ultimate increase inositol trisphosphate and increase of intracellular Calcium. GNAT3 can functionally couple to taste receptors to transmit intracellular signal: receptor heterodimer TAS1R2/TAS1R3 senses sweetness and TAS1R1/TAS1R3 transduces umami taste, whereas the T2R family GPCRs such as TAS2R14 act as bitter sensors3,4. Also functions as lumenal sugar sensors in the gut to control the expression of the Na+-glucose transporter SGLT1 in response to dietaty sugar, as well as the secretion of Glucagon-like peptide-1, GLP-1 and glucose-dependent insulinotropic polypeptide, GIP. Thus, may modulate the gut capacity to absorb sugars, with implications in malabsorption syndromes and diet-related disorders including diabetes and obesity.

AlphaFold DB , UniProt , Accession A8MTJ3, Species HUMAN (Homo sapiens, Human), Gene GNAT3, Length 354 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
1M38.8Very low64.6Low242 Ų242109.1 Ų109.1100%1.19266%0.659SS**  0108.90-64.8-177.5-155.700107S3M1-S3 PolarHBondContact O-N 2.88Å
2G49.4Very low66.3Low85 Ų85106 Ų10688%0.87665%0.646SS**  trans-72.697.1177.700000109G4G2-G4 PolarHBondContact O-N 3.07Å
3S54.3Low67.8Low115 Ų115101.8 Ų101.880%0.80463%0.629SS**  trans-6691.1166.830.20000107.1M1 I5M1-S3 PolarHBondContact O-N 2.88Å; S3-I5 PolarHBondContact O-N 3.47Å
4G54.4Low69.2Low67 Ų67103.9 Ų103.969%0.69163%0.625SS**  trans-52115.7173.100000108G2 S6G2-G4 PolarHBondContact O-N 3.07Å; G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 3.26Å
5I56.8Low70.5Confident115 Ų115108.1 Ų108.159%0.5963%0.625SS**  trans-48.1106.1166.6-62.4173000105.2S3 S7 S9 K10S3-I5 PolarHBondContact O-N 3.47Å; I5-S7 PolarHBondContact O-N 3.02Å; I5-S9 WeakPolarHBondContact CG2-OG 3.06Å; I5-K10 HydrophobicContact CG2-CD 4.34Å; I5-K10 HydrophobicContact CG2-CG 3.6Å
6S64.3Low71.7Confident57 Ų57105.1 Ų105.140%0.39961%0.613SS.*  trans-56.7143.2-173.5680000108.1G4 E8 S9 K10G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 3.26Å; S6-E8 PolarHBondContact O-N 3.41Å; S6-E8 VanDerWaalsContact O-N 3.1Å; S6-S9 PolarHBondContact N-OG 3.47Å; S6-S9 PolarHBondContact O-N 3.48Å; S6-S9 PolarHBondContact O-OG 2.84Å; S6-S9 PolarHBondContact OG-N 3.27Å; S6-S9 PolarHBondContact OG-OG 3.25Å; S6-K10 PolarHBondContact O-N 2.92Å
7S74.3Confident72.8Confident89 Ų89107.8 Ų107.862%0.62262%0.615SS**Hα-helixtrans-48.6-38.1175.144.50000111.5I5 S9 K10 E11I5-S7 PolarHBondContact O-N 3.02Å; S7-S9 PolarHBondContact O-N 3.1Å; S7-K10 PolarHBondContact O-N 2.69Å; S7-E11 PolarHBondContact O-N 3.25Å
8E73.1Confident73.8Confident141 Ų141107.9 Ų107.966%0.65961%0.609SS**Hα-helixtrans-58.6-40.2175.2-65.3178.2165.900113.4S6 E11 S12S6-E8 PolarHBondContact O-N 3.41Å; S6-E8 VanDerWaalsContact O-N 3.1Å; E8-E11 PolarHBondContact O-N 2.89Å; E8-S12 VanDerWaalsContact O-CB 3.26Å; E8-S12 WeakPolarHBondContact O-CB 3.26Å; E8-S12 PolarHBondContact O-N 2.72Å; E8-S12 PolarHBondContact O-OG 2.86Å
9S81.2Confident74.7Confident47 Ų47107.9 Ų107.933%0.32961%0.607SS.*Hα-helixtrans-71.7-35178.366.20000112.4I5 S6 S7 A13I5-S9 WeakPolarHBondContact CG2-OG 3.06Å; S6-S9 PolarHBondContact N-OG 3.47Å; S6-S9 PolarHBondContact O-N 3.48Å; S6-S9 PolarHBondContact O-OG 2.84Å; S6-S9 PolarHBondContact OG-N 3.27Å; S6-S9 PolarHBondContact OG-OG 3.25Å; S7-S9 PolarHBondContact O-N 3.1Å; S9-A13 WeakPolarHBondContact O-CB 3.37Å; S9-A13 PolarHBondContact O-N 3.26Å
10K81.7Confident75.5Confident133 Ų133108.4 Ų108.458%0.57860%0.604SS**Hα-helixtrans-67.9-42.6172.2-68.7-173.5-180175.60111.7I5 S6 S7 A13 K14I5-K10 HydrophobicContact CG2-CD 4.34Å; I5-K10 HydrophobicContact CG2-CG 3.6Å; S6-K10 PolarHBondContact O-N 2.92Å; S7-K10 PolarHBondContact O-N 2.69Å; K10-A13 PolarHBondContact O-N 2.99Å; K10-K14 WeakPolarHBondContact O-CB 3.16Å; K10-K14 PolarHBondContact O-N 3.5Å
11E82.9Confident76.3Confident109 Ų109109.5 Ų109.551%0.50960%0.603SS.*Hα-helixtrans-64.7-42.5176-75.9-170174.500111.8S7 E8 K14 R15S7-E11 PolarHBondContact O-N 3.25Å; E8-E11 PolarHBondContact O-N 2.89Å; E11-K14 PolarHBondContact O-N 2.9Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.43Å; E11-R15 IonicContact OE2-NH2 2.73Å
12S84.1Confident78.7Confident72 Ų72104.2 Ų104.250%0.50357%0.573SS.*Hα-helixtrans-62.2-45.2176.6-610000111.8E8 K14 R15 S16E8-S12 VanDerWaalsContact O-CB 3.26Å; E8-S12 WeakPolarHBondContact O-CB 3.26Å; E8-S12 PolarHBondContact O-N 2.72Å; E8-S12 PolarHBondContact O-OG 2.86Å; S12-K14 VanDerWaalsContact C-N 3.32Å; S12-K14 PolarHBondContact O-N 3Å; S12-R15 PolarHBondContact O-N 3.12Å; S12-S16 WeakPolarHBondContact O-CB 3.36Å; S12-S16 PolarHBondContact O-N 2.91Å
13A85.7Confident80.6Confident52 Ų52105.1 Ų105.143%0.4356%0.557SS.*Hα-helixtrans-63.9-36.617600000112.4S9 K10 K17S9-A13 WeakPolarHBondContact O-CB 3.37Å; S9-A13 PolarHBondContact O-N 3.26Å; K10-A13 PolarHBondContact O-N 2.99Å; A13-K17 WeakPolarHBondContact O-CG 3.5Å; A13-K17 PolarHBondContact O-N 3.34Å; A13-K17 VanDerWaalsContact O-N 3.12Å
14K87.7Confident82.2Confident130 Ų130105 Ų10557%0.56554%0.544SS*.Hα-helixtrans-66.1-46.5175.2-170.5-178.8176.5-169.30111.3K10 E11 S12 S16 K17 E18K10-K14 WeakPolarHBondContact O-CB 3.16Å; K10-K14 PolarHBondContact O-N 3.5Å; E11-K14 PolarHBondContact O-N 2.9Å; S12-K14 VanDerWaalsContact C-N 3.32Å; S12-K14 PolarHBondContact O-N 3Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-S16 PolarHBondContact O-N 2.96Å; K14-K17 PolarHBondContact O-N 3.46Å; K14-E18 WeakPolarHBondContact CE-OE1 3.38Å; K14-E18 WeakPolarHBondContact O-CG 3.37Å; K14-E18 PolarHBondContact O-N 3.32Å
15R88.7Confident83.7Confident168 Ų168106.6 Ų106.663%0.63453%0.533SS*.Hα-helixtrans-61-40.9175.7-71.5178.2-172.2179.86.9112.3E11 S12 E18 L19E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.43Å; E11-R15 IonicContact OE2-NH2 2.73Å; S12-R15 PolarHBondContact O-N 3.12Å; R15-E18 PolarHBondContact O-N 3.5Å; R15-L19 WeakPolarHBondContact O-CB 3.42Å; R15-L19 PolarHBondContact O-N 2.91Å
16S89.7Confident85.1Confident60 Ų60103.1 Ų103.142%0.4252%0.516SS..Hα-helixtrans-61.8-46.4176.8-162.20000111.6S12 K14 E18 L19 E20S12-S16 WeakPolarHBondContact O-CB 3.36Å; S12-S16 PolarHBondContact O-N 2.91Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-S16 PolarHBondContact O-N 2.96Å; S16-E18 PolarHBondContact O-N 2.97Å; S16-L19 PolarHBondContact O-N 3.24Å; S16-E20 WeakPolarHBondContact O-CG 2.85Å; S16-E20 PolarHBondContact O-N 2.86Å
17K90.5Very high86Confident150 Ų150103 Ų10365%0.65252%0.518SS*.Hα-helixtrans-64.7-39176.8-73.8-178.7178.4-173.60112.9A13 K14 L19 K21A13-K17 WeakPolarHBondContact O-CG 3.5Å; A13-K17 PolarHBondContact O-N 3.34Å; A13-K17 VanDerWaalsContact O-N 3.12Å; K14-K17 PolarHBondContact O-N 3.46Å; K17-L19 VanDerWaalsContact C-N 3.32Å; K17-K21 VanDerWaalsContact O-CB 3.29Å; K17-K21 WeakPolarHBondContact O-CB 3.33Å; K17-K21 PolarHBondContact O-N 3.39Å
18E91.3Very high86.4Confident110 Ų110102.9 Ų102.951%0.51451%0.508SS..Hα-helixtrans-64.4-38.5174.7-74.5171.2-178.300111.4K14 R15 S16 K22K14-E18 WeakPolarHBondContact CE-OE1 3.38Å; K14-E18 WeakPolarHBondContact O-CG 3.37Å; K14-E18 PolarHBondContact O-N 3.32Å; R15-E18 PolarHBondContact O-N 3.5Å; S16-E18 PolarHBondContact O-N 2.97Å; E18-K22 WeakPolarHBondContact O-CB 3.29Å; E18-K22 PolarHBondContact O-N 3.49Å
19L91.2Very high86.8Confident108 Ų108102.6 Ų102.657%0.56550%0.501SS*.Hα-helixtrans-70.8-44.2177.3-170.7137.6000112.2R15 S16 K17 K21 K22 L23R15-L19 WeakPolarHBondContact O-CB 3.42Å; R15-L19 PolarHBondContact O-N 2.91Å; S16-L19 PolarHBondContact O-N 3.24Å; K17-L19 VanDerWaalsContact C-N 3.32Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.45Å; L19-K22 PolarHBondContact O-N 2.96Å; L19-L23 HydrophobicContact CD2-CD1 3.62Å; L19-L23 HydrophobicContact CD2-CG 4.24Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.83Å
20E90.8Very high87Confident118 Ų118105 Ų10555%0.55151%0.51SS*.Hα-helixtrans-58.7-45.6172.9-77.7169.2-162.800111.6S16 K22 L23 Q24S16-E20 WeakPolarHBondContact O-CG 2.85Å; S16-E20 PolarHBondContact O-N 2.86Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.31Å; E20-L23 PolarHBondContact O-N 3.24Å; E20-Q24 WeakPolarHBondContact O-CB 3.33Å; E20-Q24 PolarHBondContact O-N 2.98Å
21K91.3Very high87.1Confident132 Ų132102.7 Ų102.757%0.57452%0.516SS*.Hα-helixtrans-59.7-44.7175.6-180176.7169.8-179.90111.3K17 L19 Q24 E25K17-K21 VanDerWaalsContact O-CB 3.29Å; K17-K21 WeakPolarHBondContact O-CB 3.33Å; K17-K21 PolarHBondContact O-N 3.39Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 3.45Å; K21-Q24 PolarHBondContact O-N 2.95Å; K21-E25 WeakPolarHBondContact CE-OE1 3.5Å; K21-E25 IonicContact NZ-OE1 3.98Å; K21-E25 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact O-N 3.33Å
22K90.2Very high87.4Confident130 Ų130103.9 Ų103.957%0.56552%0.515SS*.Hα-helixtrans-65.2-40.2178.5-170.5178.7178-175.60112.2E18 L19 E20 Q24 E25 D26E18-K22 WeakPolarHBondContact O-CB 3.29Å; E18-K22 PolarHBondContact O-N 3.49Å; L19-K22 PolarHBondContact O-N 2.96Å; E20-K22 VanDerWaalsContact C-N 3.33Å; E20-K22 PolarHBondContact O-N 3.31Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; K22-E25 PolarHBondContact O-N 3.35Å; K22-D26 WeakPolarHBondContact O-CB 3.35Å; K22-D26 PolarHBondContact O-N 2.87Å
23L89.4Confident87.8Confident104 Ų104101.9 Ų101.955%0.54550%0.5SS..Hα-helixtrans-62.9-40.9175.3-74.1173.2000111.9L19 E20 A27L19-L23 HydrophobicContact CD2-CD1 3.62Å; L19-L23 HydrophobicContact CD2-CG 4.24Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 2.83Å; E20-L23 PolarHBondContact O-N 3.24Å; L23-A27 VanDerWaalsContact O-CB 3.3Å; L23-A27 WeakPolarHBondContact O-CB 3.3Å; L23-A27 PolarHBondContact O-N 3.07Å
24Q87.8Confident88.2Confident114 Ų11499.4 Ų99.453%0.53348%0.48SS..Hα-helixtrans-64.4-45.4175.2-176.166.828.400111.4E20 K21 K22 A27 E28E20-Q24 WeakPolarHBondContact O-CB 3.33Å; E20-Q24 PolarHBondContact O-N 2.98Å; K21-Q24 PolarHBondContact O-N 2.95Å; K22-Q24 VanDerWaalsContact C-N 3.34Å; Q24-A27 PolarHBondContact O-N 2.97Å; Q24-E28 PolarHBondContact NE2-OE1 3.5Å; Q24-E28 VanDerWaalsContact NE2-OE1 3.07Å; Q24-E28 WeakPolarHBondContact O-CG 3.43Å; Q24-E28 PolarHBondContact O-N 3.46Å
25E86.3Confident88.6Confident99 Ų9994.7 Ų94.746%0.46346%0.459SS..Hα-helixtrans-63.2-41.4176.5-73.2173.5175.500112.2K21 K22 E28 R29K21-E25 WeakPolarHBondContact CE-OE1 3.5Å; K21-E25 IonicContact NZ-OE1 3.98Å; K21-E25 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact O-N 3.33Å; K22-E25 PolarHBondContact O-N 3.35Å; E25-E28 PolarHBondContact O-N 3.07Å; E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 PolarHBondContact O-N 2.93Å
26D85.2Confident89Confident43 Ų4386.7 Ų86.723%0.2343%0.429CS..Hα-helixtrans-65.5-42.7175.8-77.1-32.3000110.7K22 E28 R29 D30K22-D26 WeakPolarHBondContact O-CB 3.35Å; K22-D26 PolarHBondContact O-N 2.87Å; D26-E28 PolarHBondContact O-N 2.9Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 IonicContact OD1-CZ 3.04Å; D26-R29 IonicContact OD1-NH1 3.77Å; D26-R29 PolarHBondContact OD1-NH1 3.41Å; D26-R29 VanDerWaalsContact OD1-NH1 3.07Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.35Å; D26-D30 WeakPolarHBondContact O-CB 3.35Å; D26-D30 PolarHBondContact O-N 2.93Å
27A83.6Confident89.4Confident53 Ų5383.9 Ų83.944%0.43841%0.409SS..Hα-helixtrans-63.1-41.4175.800000112.5L23 Q24 D30 A31L23-A27 VanDerWaalsContact O-CB 3.3Å; L23-A27 WeakPolarHBondContact O-CB 3.3Å; L23-A27 PolarHBondContact O-N 3.07Å; Q24-A27 PolarHBondContact O-N 2.97Å; A27-D30 PolarHBondContact O-N 2.88Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.74Å
28E82.3Confident89.8Confident88 Ų8876.7 Ų76.741%0.41138%0.378SS..Hα-helixtrans-67.3-35.2176.1-75.6177.8-158.500112.8Q24 E25 D26 R32Q24-E28 PolarHBondContact NE2-OE1 3.5Å; Q24-E28 VanDerWaalsContact NE2-OE1 3.07Å; Q24-E28 WeakPolarHBondContact O-CG 3.43Å; Q24-E28 PolarHBondContact O-N 3.46Å; E25-E28 PolarHBondContact O-N 3.07Å; D26-E28 PolarHBondContact O-N 2.9Å; E28-R32 PolarHBondContact O-N 3.29Å
29R82.6Confident90.1Very high135 Ų13571.5 Ų71.551%0.50935%0.354SS..Hα-helixtrans-68.4-45.5173.3-175.7-175.967.5-136.8-11.1110.8E25 D26 A31 R32 T33E25-R29 WeakPolarHBondContact O-CB 3.38Å; E25-R29 PolarHBondContact O-N 2.93Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 IonicContact OD1-CZ 3.04Å; D26-R29 IonicContact OD1-NH1 3.77Å; D26-R29 PolarHBondContact OD1-NH1 3.41Å; D26-R29 VanDerWaalsContact OD1-NH1 3.07Å; D26-R29 IonicContact OD1-NH2 2.67Å; D26-R29 PolarHBondContact OD1-NH2 3.35Å; R29-A31 VanDerWaalsContact C-N 3.31Å; R29-A31 PolarHBondContact O-N 2.84Å; R29-R32 CarbonylContact O-C 3.56Å; R29-R32 PolarHBondContact O-N 3.2Å; R29-R32 VanDerWaalsContact O-N 3.1Å; R29-T33 WeakPolarHBondContact O-CB 3.3Å; R29-T33 PolarHBondContact O-N 3.49Å; R29-T33 PolarHBondContact O-OG1 2.72Å
30D83.8Confident90.5Very high98 Ų9866.3 Ų66.352%0.52433%0.327SS..Hα-helixtrans-65-38.3-178.5-71.1-5.8000110.7D26 A27 R32 T33D26-D30 WeakPolarHBondContact O-CB 3.35Å; D26-D30 PolarHBondContact O-N 2.93Å; A27-D30 PolarHBondContact O-N 2.88Å; D30-R32 PolarHBondContact O-N 3.1Å; D30-T33 PolarHBondContact O-N 2.78Å
31A84.3Confident90.8Very high84 Ų8461.2 Ų61.269%0.69431%0.305SS*.Hα-helixtrans-61.5-24.1173.700000114.1A27 R29A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.74Å; R29-A31 VanDerWaalsContact C-N 3.31Å; R29-A31 PolarHBondContact O-N 2.84Å
32R88.8Confident90.9Very high133 Ų13356 Ų5650%0.50229%0.288SS..THydrogen-bonded Turntrans-104.23.6176.3-61.3-177-134.6-129.72.8113.1E28 R29 D30 L194 H195E28-R32 PolarHBondContact O-N 3.29Å; R29-R32 CarbonylContact O-C 3.56Å; R29-R32 PolarHBondContact O-N 3.2Å; R29-R32 VanDerWaalsContact O-N 3.1Å; D30-R32 PolarHBondContact O-N 3.1Å; R32-L194 HydrophobicContact CB-CD2 4.39Å; R32-L194 WeakPolarHBondContact O-CA 3.34Å; R32-H195 PolarHBondContact O-N 3.22Å
33T92.9Very high91.1Very high30 Ų3051.9 Ų51.918%0.18427%0.271CS..EExtended strand (participates in β ladder)trans-93.6122.7-178.6-64.90000110.1R29 D30 H195 R197R29-T33 WeakPolarHBondContact O-CB 3.3Å; R29-T33 PolarHBondContact O-N 3.49Å; R29-T33 PolarHBondContact O-OG1 2.72Å; D30-T33 PolarHBondContact O-N 2.78Å; T33-H195 CarbonylContact C-O 3.55Å; T33-H195 VanDerWaalsContact CA-O 3.3Å; T33-H195 WeakPolarHBondContact CA-O 3.47Å; T33-R197 HydrophobicContact CG2-CG 4.05Å
34V94.5Very high91.5Very high1 Ų147.1 Ų47.11%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-108117.4177.8177.70000109.2L36 L194 H195 F196 R197 T219 I343V34-L36 HydrophobicContact CG1-CD2 3.75Å; V34-L36 HydrophobicContact CG1-CG 4.08Å; V34-L194 HydrophobicContact CG2-CB 4.36Å; V34-L194 HydrophobicContact CG2-CD1 4.03Å; V34-L194 HydrophobicContact CG2-CD2 4.37Å; V34-L194 HydrophobicContact CG2-CG 4.5Å; V34-H195 PolarHBondContact N-O 3.06Å; V34-F196 HydrophobicContact CB-CD1 3.75Å; V34-F196 HydrophobicContact CB-CE1 3.81Å; V34-F196 HydrophobicContact CB-CG 4.41Å; V34-F196 HydrophobicContact CB-CZ 4.49Å; V34-F196 HydrophobicContact CG1-CD1 3.75Å; V34-F196 HydrophobicContact CG1-CE1 3.63Å; V34-F196 HydrophobicContact CG2-CE1 4.25Å; V34-F196 WeakPolarHBondContact O-CA 3.29Å; V34-R197 PolarHBondContact O-N 2.95Å; V34-T219 HydrophobicContact CG1-CG2 3.92Å; V34-I343 HydrophobicContact CG1-CD1 4.29Å; V34-I343 HydrophobicContact CG1-CG2 4.04Å; V34-I343 HydrophobicContact CG2-CG2 4.17Å
35K95.6Very high92Very high31 Ų3142.1 Ų42.114%0.13523%0.226CC..EExtended strand (participates in β ladder)trans-90.3109.7173.1-176.5174.2-174.9-176.30109.8R197 F199 C214 E216 G217 V218 T219 C220K35-R197 WeakPolarHBondContact CA-O 3.08Å; K35-F199 HydrophobicContact CD-CD2 4.4Å; K35-F199 HydrophobicContact CD-CE2 4.02Å; K35-F199 HydrophobicContact CG-CD2 3.87Å; K35-F199 HydrophobicContact CG-CE2 3.69Å; K35-C214 WeakPolarHBondContact CE-O 3.33Å; K35-C214 PolarHBondContact NZ-O 3.46Å; K35-E216 PolarHBondContact NZ-O 2.93Å; K35-G217 WeakPolarHBondContact CB-O 3.23Å; K35-G217 VanDerWaalsContact CD-O 3.31Å; K35-G217 WeakPolarHBondContact CD-O 3.46Å; K35-V218 HydrophobicContact CD-CG2 4.21Å; K35-T219 PolarHBondContact N-OG1 3.06Å; K35-T219 WeakPolarHBondContact O-CB 3.45Å; K35-T219 PolarHBondContact O-N 2.67Å; K35-C220 PolarHBondContact O-N 3.03Å
36L97.3Very high92.5Very high0 Ų037.9 Ų37.90%021%0.206CC..EExtended strand (participates in β ladder)trans-97.7128.9173.7-61.8-177.6000110.4V34 F196 R197 M198 F199 C220 I222 F336 I343V34-L36 HydrophobicContact CG1-CD2 3.75Å; V34-L36 HydrophobicContact CG1-CG 4.08Å; L36-F196 HydrophobicContact CD1-CD1 3.53Å; L36-F196 HydrophobicContact CD1-CE1 3.96Å; L36-F196 HydrophobicContact CG-CD1 3.88Å; L36-F196 HydrophobicContact CG-CE1 4.36Å; L36-R197 PolarHBondContact N-O 2.84Å; L36-M198 HydrophobicContact CB-CB 4.34Å; L36-M198 HydrophobicContact CB-CE 4.48Å; L36-M198 HydrophobicContact CB-CG 4.34Å; L36-M198 HydrophobicContact CD1-CE 3.6Å; L36-M198 CarbonylContact O-C 3.38Å; L36-M198 WeakPolarHBondContact O-CA 3.04Å; L36-F199 PolarHBondContact O-N 3.25Å; L36-C220 WeakPolarHBondContact CA-O 3.44Å; L36-C220 HydrophobicContact CD2-CB 3.73Å; L36-I222 HydrophobicContact CD1-CD1 4.31Å; L36-F336 HydrophobicContact CD1-CE2 3.63Å; L36-F336 HydrophobicContact CD1-CZ 3.67Å; L36-I343 HydrophobicContact CD2-CD1 3.7Å
37L98.1Very high93.1Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-112.7117174.6-178.158.3000110.2L39 F199 V201 C214 F215 V218 C220 I221 I222 F259L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 4.03Å; L37-L39 HydrophobicContact CD2-CD2 4.13Å; L37-L39 HydrophobicContact CD2-CG 4.17Å; L37-L39 HydrophobicContact CG-CD1 4.29Å; L37-L39 HydrophobicContact CG-CD2 3.94Å; L37-L39 HydrophobicContact CG-CG 3.91Å; L37-F199 HydrophobicContact CD1-CB 3.84Å; L37-V201 HydrophobicContact CD1-CG1 4.35Å; L37-C214 HydrophobicContact CD1-CB 3.65Å; L37-C214 HydrophobicContact CD2-CB 4.25Å; L37-F215 HydrophobicContact CD2-CD1 3.88Å; L37-F215 HydrophobicContact CD2-CE1 4.04Å; L37-V218 HydrophobicContact CB-CG1 3.77Å; L37-V218 HydrophobicContact CB-CG2 4.14Å; L37-V218 HydrophobicContact CD2-CG2 3.96Å; L37-C220 PolarHBondContact N-O 3.11Å; L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.24Å; L37-I222 PolarHBondContact O-N 2.73Å; L37-F259 HydrophobicContact CD2-CE1 4.43Å; L37-F259 HydrophobicContact CD2-CZ 4.01Å
38L98.4Very high93.8Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-87.2118.1175.8-57.1-172.1000110.1K46 I49 V50 M198 F199 D200 V201 I222L38-K46 HydrophobicContact CB-CB 4.14Å; L38-K46 HydrophobicContact CB-CD 4.07Å; L38-K46 HydrophobicContact CB-CG 4.14Å; L38-K46 HydrophobicContact CD1-CB 4.17Å; L38-K46 WeakPolarHBondContact CD1-O 3.3Å; L38-I49 HydrophobicContact CD1-CB 4.45Å; L38-I49 HydrophobicContact CD1-CG2 4.49Å; L38-V50 HydrophobicContact CD1-CG2 3.48Å; L38-V50 VanDerWaalsContact CD1-CG2 3.48Å; L38-M198 HydrophobicContact CD1-CG 4.09Å; L38-M198 HydrophobicContact CD1-SD 3.84Å; L38-M198 HydrophobicContact CD2-CE 4.47Å; L38-M198 HydrophobicContact CD2-CG 4.36Å; L38-M198 HydrophobicContact CD2-SD 4.29Å; L38-M198 HydrophobicContact CG-CG 3.98Å; L38-M198 HydrophobicContact CG-SD 4.21Å; L38-F199 PolarHBondContact N-O 2.6Å; L38-D200 HydrophobicContact CD1-CB 4.37Å; L38-V201 WeakPolarHBondContact O-CG2 3.39Å; L38-I222 WeakPolarHBondContact CA-O 3.47Å; L38-I222 HydrophobicContact CD2-CB 3.65Å; L38-I222 HydrophobicContact CD2-CD1 3.95Å; L38-I222 HydrophobicContact CD2-CG1 4.32Å; L38-I222 HydrophobicContact CD2-CG2 4.1Å
39L98.4Very high94.6Very high0 Ų031.4 Ų31.40%017%0.169CC..EExtended strand (participates in β ladder)trans-123.3161.8178.8-62.5179.3000111.5L37 V201 W211 I221 I222 F223 C224 I253 F259L37-L39 HydrophobicContact CD1-CD2 4.21Å; L37-L39 HydrophobicContact CD2-CD1 4.03Å; L37-L39 HydrophobicContact CD2-CD2 4.13Å; L37-L39 HydrophobicContact CD2-CG 4.17Å; L37-L39 HydrophobicContact CG-CD1 4.29Å; L37-L39 HydrophobicContact CG-CD2 3.94Å; L37-L39 HydrophobicContact CG-CG 3.91Å; L39-V201 HydrophobicContact CD2-CG2 3.76Å; L39-W211 HydrophobicContact CB-CZ3 4.44Å; L39-W211 HydrophobicContact CD2-CD2 3.8Å; L39-W211 HydrophobicContact CD2-CE3 3.71Å; L39-W211 HydrophobicContact CD2-CG 4.26Å; L39-W211 HydrophobicContact CD2-CH2 4.41Å; L39-W211 HydrophobicContact CD2-CZ3 4.01Å; L39-I221 HydrophobicContact CB-CG2 4.33Å; L39-I221 HydrophobicContact CD1-CD1 4.38Å; L39-I221 HydrophobicContact CD1-CG2 3.95Å; L39-I221 HydrophobicContact CG-CG2 4.23Å; L39-I222 PolarHBondContact N-O 3.37Å; L39-F223 HydrophobicContact CB-CD2 3.95Å; L39-F223 HydrophobicContact CB-CE2 4.47Å; L39-F223 CarbonylContact O-C 3.59Å; L39-F223 WeakPolarHBondContact O-CA 3.27Å; L39-C224 PolarHBondContact O-N 2.66Å; L39-I253 HydrophobicContact CD1-CD1 3.82Å; L39-I253 HydrophobicContact CD1-CG1 4.08Å; L39-I253 HydrophobicContact CD1-CG2 3.75Å; L39-F259 HydrophobicContact CD1-CE2 4.27Å; L39-F259 HydrophobicContact CD1-CZ 4.45Å
40G98.1Very high95.3Very high0 Ų025.7 Ų25.70%015%0.15CC..  trans137.7165.5-178.500000112.6K46 G203 C224G40-K46 PolarHBondContact O-NZ 3.03Å; G40-G203 WeakPolarHBondContact O-CA 3.41Å; G40-C224 WeakPolarHBondContact CA-O 3.29Å
41A97Very high95.9Very high10 Ų1022.3 Ų22.38%0.08313%0.13CC..SBendtrans-60.4167.8-178.700000112.8S44 K46 L249A41-S44 PolarHBondContact O-N 3.26Å; A41-S44 PolarHBondContact O-OG 3.38Å; A41-S44 VanDerWaalsContact O-OG 3.1Å; A41-K46 PolarHBondContact O-NZ 2.95Å; A41-L249 HydrophobicContact CB-CD2 4.46Å
42G94.7Very high96.6Very high22 Ų2218.3 Ų18.323%0.22710%0.097CC..THydrogen-bonded Turntrans-51.8144.6168.700000110.6S44 G203G42-S44 PolarHBondContact O-N 3.01Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 3.2Å
43E94.9Very high97Very high45 Ų4512 Ų1221%0.217%0.073CC..THydrogen-bonded Turntrans63.79.6175.3-64.1162.7-164.200115.9G45 R178 R242 K270E43-G45 PolarHBondContact O-N 2.82Å; E43-R178 IonicContact OE1-NH2 3.21Å; E43-R242 IonicContact OE2-CZ 3.49Å; E43-R242 IonicContact OE2-NH1 3.9Å; E43-R242 PolarHBondContact OE2-NH1 2.86Å; E43-R242 IonicContact OE2-NH2 2.65Å; E43-R242 PolarHBondContact OE2-NH2 3.22Å; E43-K270 WeakPolarHBondContact O-CE 3.34Å; E43-K270 PolarHBondContact O-NZ 2.95Å
44S97.6Very high97.2Very high3 Ų312.4 Ų12.42%0.0217%0.073CC..SBendtrans-71.1-9.8176.667.40000115.2A41 G42 C224 N269A41-S44 PolarHBondContact O-N 3.26Å; A41-S44 PolarHBondContact O-OG 3.38Å; A41-S44 VanDerWaalsContact O-OG 3.1Å; G42-S44 PolarHBondContact O-N 3.01Å; S44-C224 WeakPolarHBondContact CB-O 3.36Å; S44-C224 WeakPolarHBondContact OG-CB 3.49Å; S44-C224 PolarHBondContact OG-O 3.34Å; S44-N269 PolarHBondContact O-ND2 3.06Å
45G97.2Very high97.3Very high10 Ų1013.4 Ų13.410%0.1038%0.077CC..SBendtrans103.48.8175.900000116.3E43 S47 T48 I49E43-G45 PolarHBondContact O-N 2.82Å; G45-S47 PolarHBondContact O-N 3.2Å; G45-T48 WeakPolarHBondContact O-CB 3.41Å; G45-T48 PolarHBondContact O-N 3.15Å; G45-T48 VanDerWaalsContact O-N 3.1Å; G45-I49 PolarHBondContact O-N 3.24Å
46K97.9Very high97.3Very high9 Ų913.7 Ų13.74%0.0398%0.08CC..Hα-helixtrans-50.7-54.9177.8-62.7-177.8-64.5-66.10113.7L38 G40 A41 T48 I49 V50 D200 V201 C224L38-K46 HydrophobicContact CB-CB 4.14Å; L38-K46 HydrophobicContact CB-CD 4.07Å; L38-K46 HydrophobicContact CB-CG 4.14Å; L38-K46 HydrophobicContact CD1-CB 4.17Å; L38-K46 WeakPolarHBondContact CD1-O 3.3Å; G40-K46 PolarHBondContact O-NZ 3.03Å; A41-K46 PolarHBondContact O-NZ 2.95Å; K46-T48 PolarHBondContact O-N 2.95Å; K46-I49 WeakPolarHBondContact O-CA 3.45Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 3.44Å; K46-V50 PolarHBondContact O-N 3.25Å; K46-V50 VanDerWaalsContact O-N 3.08Å; K46-D200 VanDerWaalsContact CB-OD1 3.27Å; K46-D200 WeakPolarHBondContact CB-OD1 3.27Å; K46-V201 WeakPolarHBondContact CE-O 3.47Å; K46-C224 HydrophobicContact CG-CB 3.94Å
47S97.7Very high97.2Very high24 Ų2415.7 Ų15.717%0.1689%0.089CC..Hα-helixtrans-64.4-27.8-179.1-46.70000112.4G45 V50 K51 T181 D200G45-S47 PolarHBondContact O-N 3.2Å; S47-V50 PolarHBondContact O-N 3.5Å; S47-K51 VanDerWaalsContact O-CG 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 3.33Å; S47-T181 PolarHBondContact OG-OG1 2.81Å; S47-D200 WeakPolarHBondContact CA-OD2 3.38Å; S47-D200 VanDerWaalsContact CB-OD2 3.31Å; S47-D200 WeakPolarHBondContact CB-OD2 3.24Å; S47-D200 PolarHBondContact OG-OD2 2.99Å
48T98Very high97Very high24 Ų2420.5 Ų20.515%0.14711%0.11CC..Hα-helixtrans-68.1-40.2172.6-500000110.9G45 K46 V50 K51 Q52 L175 A326 T327G45-T48 WeakPolarHBondContact O-CB 3.41Å; G45-T48 PolarHBondContact O-N 3.15Å; G45-T48 VanDerWaalsContact O-N 3.1Å; K46-T48 PolarHBondContact O-N 2.95Å; T48-V50 VanDerWaalsContact C-N 3.31Å; T48-V50 PolarHBondContact O-N 3.32Å; T48-K51 WeakPolarHBondContact O-CB 3.43Å; T48-K51 PolarHBondContact O-N 2.62Å; T48-Q52 WeakPolarHBondContact O-CG 3.27Å; T48-Q52 PolarHBondContact O-N 2.83Å; T48-L175 HydrophobicContact CG2-CB 4.36Å; T48-L175 HydrophobicContact CG2-CD2 3.79Å; T48-A326 HydrophobicContact CG2-CB 3.67Å; T48-A326 WeakPolarHBondContact CG2-O 3.33Å; T48-T327 HydrophobicContact CG2-CG2 4.14Å
49I98.1Very high96.8Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-59.8-40.5171.2-61.3-60.4000111.3L38 G45 K46 Q52 M53 F267 A326 V332L38-I49 HydrophobicContact CD1-CB 4.45Å; L38-I49 HydrophobicContact CD1-CG2 4.49Å; G45-I49 PolarHBondContact O-N 3.24Å; K46-I49 WeakPolarHBondContact O-CA 3.45Å; K46-I49 WeakPolarHBondContact O-CB 3.42Å; K46-I49 PolarHBondContact O-N 3.44Å; I49-Q52 WeakPolarHBondContact O-CB 3.31Å; I49-Q52 PolarHBondContact O-N 2.84Å; I49-M53 WeakPolarHBondContact O-CG 3.5Å; I49-M53 PolarHBondContact O-N 3.01Å; I49-F267 HydrophobicContact CD1-CD2 4.15Å; I49-F267 HydrophobicContact CD1-CE2 4.1Å; I49-F267 HydrophobicContact CG1-CD2 4.28Å; I49-F267 HydrophobicContact CG1-CE2 4.39Å; I49-F267 HydrophobicContact CG2-CE2 4.5Å; I49-A326 HydrophobicContact CD1-CB 3.68Å; I49-A326 HydrophobicContact CG1-CB 4.23Å; I49-V332 HydrophobicContact CD1-CG1 4.13Å; I49-V332 HydrophobicContact CD1-CG2 3.84Å
50V97.7Very high96.7Very high16 Ų1628.8 Ų28.810%0.09716%0.156CC..Hα-helixtrans-61.9-45.8174.3178.80000112L38 K46 S47 T48 Q52 M53 K54 T187 M198 D200L38-V50 HydrophobicContact CD1-CG2 3.48Å; L38-V50 VanDerWaalsContact CD1-CG2 3.48Å; K46-V50 PolarHBondContact O-N 3.25Å; K46-V50 VanDerWaalsContact O-N 3.08Å; S47-V50 PolarHBondContact O-N 3.5Å; T48-V50 VanDerWaalsContact C-N 3.31Å; T48-V50 PolarHBondContact O-N 3.32Å; V50-Q52 PolarHBondContact O-N 3.5Å; V50-M53 WeakPolarHBondContact O-CB 3.49Å; V50-M53 PolarHBondContact O-N 3Å; V50-K54 PolarHBondContact O-N 3.07Å; V50-T187 HydrophobicContact CG1-CG2 4.03Å; V50-T187 VanDerWaalsContact CG1-OG1 3.24Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.47Å; V50-M198 HydrophobicContact CG2-CG 4.34Å; V50-M198 HydrophobicContact CG2-SD 3.85Å; V50-D200 HydrophobicContact CG2-CB 3.65Å
51K97.7Very high96.6Very high26 Ų2630.4 Ų30.411%0.11316%0.162CC..Hα-helixtrans-57.4-40.1175.7-67.5170.9176.5-177.40111S47 T48 M53 K54 I55 Y61 V174 L175 S177S47-K51 VanDerWaalsContact O-CG 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 3.33Å; T48-K51 WeakPolarHBondContact O-CB 3.43Å; T48-K51 PolarHBondContact O-N 2.62Å; K51-M53 VanDerWaalsContact C-N 3.35Å; K51-M53 PolarHBondContact O-N 3.27Å; K51-K54 WeakPolarHBondContact O-CB 3.39Å; K51-K54 PolarHBondContact O-N 2.81Å; K51-K54 VanDerWaalsContact O-N 3.17Å; K51-I55 PolarHBondContact O-N 2.86Å; K51-I55 VanDerWaalsContact O-N 3.1Å; K51-Y61 WeakPolarHBondContact CA-OH 3.5Å; K51-Y61 HydrophobicContact CB-CE2 4.48Å; K51-Y61 WeakPolarHBondContact CB-OH 3.33Å; K51-Y61 VanDerWaalsContact CG-OH 3.3Å; K51-Y61 WeakPolarHBondContact CG-OH 3.12Å; K51-V174 HydrophobicContact CD-CG1 4.2Å; K51-V174 WeakPolarHBondContact CD-O 3.47Å; K51-V174 PolarHBondContact NZ-O 3.37Å; K51-L175 HydrophobicContact CB-CD2 3.87Å; K51-S177 PolarHBondContact NZ-O 3.01Å; K51-S177 PolarHBondContact NZ-OG 3.16Å
52Q98Very high96.6Very high0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-63.2-36.8175.1-70-73.620.400113T48 I49 V50 K54 I55 I56 L175 A326 T329 V332T48-Q52 WeakPolarHBondContact O-CG 3.27Å; T48-Q52 PolarHBondContact O-N 2.83Å; I49-Q52 WeakPolarHBondContact O-CB 3.31Å; I49-Q52 PolarHBondContact O-N 2.84Å; V50-Q52 PolarHBondContact O-N 3.5Å; Q52-K54 PolarHBondContact O-N 2.88Å; Q52-I55 PolarHBondContact O-N 3.47Å; Q52-I55 VanDerWaalsContact O-N 3.11Å; Q52-I56 HydrophobicContact CB-CD1 4.16Å; Q52-I56 WeakPolarHBondContact O-CB 3.33Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.43Å; Q52-I56 PolarHBondContact O-N 2.96Å; Q52-L175 HydrophobicContact CG-CD2 3.68Å; Q52-A326 VanDerWaalsContact CG-O 3.23Å; Q52-A326 WeakPolarHBondContact CG-O 3.26Å; Q52-A326 PolarHBondContact NE2-O 2.83Å; Q52-T329 PolarHBondContact NE2-OG1 3.13Å; Q52-T329 PolarHBondContact OE1-OG1 3.08Å; Q52-V332 HydrophobicContact CB-CB 4.34Å; Q52-V332 HydrophobicContact CB-CG1 3.72Å; Q52-V332 HydrophobicContact CG-CB 4.23Å; Q52-V332 HydrophobicContact CG-CG1 4.09Å; Q52-V332 HydrophobicContact CG-CG2 4.1Å
53M97.2Very high96.7Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-62.8-34.2175.5-63.3-57.794.500112I49 V50 K51 I56 H57 F189 M198 V332 F336I49-M53 WeakPolarHBondContact O-CG 3.5Å; I49-M53 PolarHBondContact O-N 3.01Å; V50-M53 WeakPolarHBondContact O-CB 3.49Å; V50-M53 PolarHBondContact O-N 3Å; K51-M53 VanDerWaalsContact C-N 3.35Å; K51-M53 PolarHBondContact O-N 3.27Å; M53-I56 HydrophobicContact CE-CD1 4.08Å; M53-H57 WeakPolarHBondContact O-CB 3.45Å; M53-H57 PolarHBondContact O-N 3.24Å; M53-F189 HydrophobicContact CB-CD1 3.87Å; M53-F189 HydrophobicContact CB-CE1 3.68Å; M53-F189 HydrophobicContact CB-CG 4.42Å; M53-F189 HydrophobicContact CB-CZ 4.06Å; M53-F189 HydrophobicContact CG-CD1 4.31Å; M53-F189 HydrophobicContact CG-CE1 3.6Å; M53-F189 HydrophobicContact CG-CE2 4.43Å; M53-F189 HydrophobicContact CG-CZ 3.67Å; M53-F189 HydrophobicContact SD-CE1 4.08Å; M53-F189 HydrophobicContact SD-CE2 3.87Å; M53-F189 HydrophobicContact SD-CZ 3.48Å; M53-F189 WeakPolarHBondContact SD-CZ 3.31Å; M53-M198 HydrophobicContact CG-CE 3.54Å; M53-M198 HydrophobicContact CG-SD 3.72Å; M53-M198 HydrophobicContact SD-CE 3.97Å; M53-V332 HydrophobicContact CE-CG1 3.81Å; M53-F336 HydrophobicContact CE-CB 4.27Å; M53-F336 HydrophobicContact CE-CD1 4.38Å; M53-F336 HydrophobicContact CE-CD2 4.03Å; M53-F336 HydrophobicContact CE-CG 3.95Å; M53-F336 HydrophobicContact SD-CD1 3.97Å; M53-F336 HydrophobicContact SD-CD2 3.8Å; M53-F336 HydrophobicContact SD-CE1 3.9Å; M53-F336 HydrophobicContact SD-CE2 3.72Å; M53-F336 HydrophobicContact SD-CG 3.93Å; M53-F336 HydrophobicContact SD-CZ 3.78Å
54K96.4Very high96.8Very high40 Ų4042.7 Ų42.717%0.17422%0.218CC..Hα-helixtrans-66.5-43.4172.2-174.5173.2170.8-172.10111.5V50 K51 Q52 K58 G60 Y61 E65V50-K54 PolarHBondContact O-N 3.07Å; K51-K54 WeakPolarHBondContact O-CB 3.39Å; K51-K54 PolarHBondContact O-N 2.81Å; K51-K54 VanDerWaalsContact O-N 3.17Å; Q52-K54 PolarHBondContact O-N 2.88Å; K54-K58 HydrophobicContact CG-CB 4.09Å; K54-K58 CarbonylContact O-C 3.52Å; K54-K58 VanDerWaalsContact O-C 3.32Å; K54-K58 VanDerWaalsContact O-CA 3.27Å; K54-K58 WeakPolarHBondContact O-CA 3.16Å; K54-K58 WeakPolarHBondContact O-CB 3.44Å; K54-K58 PolarHBondContact O-N 3.38Å; K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.29Å; K54-G60 PolarHBondContact O-N 2.93Å; K54-Y61 HydrophobicContact CB-CE2 4.29Å; K54-Y61 HydrophobicContact CD-CD1 4.09Å; K54-Y61 HydrophobicContact CD-CD2 4.47Å; K54-Y61 HydrophobicContact CD-CE1 3.65Å; K54-Y61 HydrophobicContact CD-CE2 4.07Å; K54-Y61 HydrophobicContact CD-CG 4.47Å; K54-Y61 HydrophobicContact CG-CE2 4.31Å; K54-Y61 VanDerWaalsContact NZ-CD1 3.32Å; K54-E65 IonicContact NZ-OE1 3.64Å; K54-E65 PolarHBondContact NZ-OE1 3.26Å; K54-E65 IonicContact NZ-OE2 2.8Å; K54-E65 PolarHBondContact NZ-OE2 3.24Å
55I97.1Very high96.8Very high21 Ų2145.5 Ų45.511%0.10823%0.232CC..Hα-helixtrans-62.1-51.6177.2-64.1168000111.8K51 Q52 Y61 E171 L175 T329K51-I55 PolarHBondContact O-N 2.86Å; K51-I55 VanDerWaalsContact O-N 3.1Å; Q52-I55 PolarHBondContact O-N 3.47Å; Q52-I55 VanDerWaalsContact O-N 3.11Å; I55-Y61 HydrophobicContact CD1-CD2 4.39Å; I55-Y61 HydrophobicContact CD1-CE2 4.15Å; I55-Y61 HydrophobicContact CG1-CD2 3.87Å; I55-Y61 HydrophobicContact CG1-CE2 3.76Å; I55-E171 HydrophobicContact CD1-CB 4Å; I55-E171 HydrophobicContact CD1-CG 4.48Å; I55-L175 HydrophobicContact CD1-CD1 3.84Å; I55-L175 HydrophobicContact CD1-CD2 3.91Å; I55-L175 HydrophobicContact CD1-CG 3.87Å; I55-T329 HydrophobicContact CG2-CG2 4.04Å
56I96.6Very high96.8Very high37 Ų3745.3 Ų45.319%0.1923%0.229CC..Hα-helixtrans-75.9-35.8-171.2-61.4164.8000111.6Q52 M53 T329 V332 K333Q52-I56 HydrophobicContact CB-CD1 4.16Å; Q52-I56 WeakPolarHBondContact O-CB 3.33Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.43Å; Q52-I56 PolarHBondContact O-N 2.96Å; M53-I56 HydrophobicContact CE-CD1 4.08Å; I56-T329 HydrophobicContact CD1-CG2 4.32Å; I56-T329 HydrophobicContact CG1-CG2 3.86Å; I56-V332 HydrophobicContact CD1-CB 4.3Å; I56-V332 HydrophobicContact CD1-CG1 3.98Å; I56-K333 HydrophobicContact CD1-CB 3.96Å; I56-K333 HydrophobicContact CG1-CB 4.49Å; I56-K333 HydrophobicContact CG2-CB 4.42Å; I56-K333 HydrophobicContact CG2-CD 4.36Å; I56-K333 HydrophobicContact CG2-CG 4.08Å
57H95.2Very high96.7Very high42 Ų4248.2 Ų48.219%0.19424%0.243CC..Hα-helixtrans-122-3.2-169-56.3-64.5000115.3M53 F189 F191 F336M53-H57 WeakPolarHBondContact O-CB 3.45Å; M53-H57 PolarHBondContact O-N 3.24Å; H57-F189 HydrophobicContact CB-CB 4.05Å; H57-F189 HydrophobicContact CB-CD2 3.92Å; H57-F189 HydrophobicContact CB-CG 4.27Å; H57-F189 AromaticContact CD2-CD2 3.71Å; H57-F189 AromaticContact CD2-CE2 3.78Å; H57-F189 AromaticContact CG-CD2 3.92Å; H57-F191 AromaticContact CE1-CD2 3.33Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.33Å; H57-F191 AromaticContact CE1-CE2 3.76Å; H57-F191 AromaticContact CE1-CG 3.55Å; H57-F191 AromaticContact ND1-CD2 3.7Å; H57-F336 AromaticContact NE2-CD1 3.85Å
58K93.8Very high96.6Very high101 Ų10153.2 Ų53.244%0.43926%0.264SS..SBendtrans-132.431.6-178.7-53-172.471.7162.50114K54 G60 Q188 F189K54-K58 HydrophobicContact CG-CB 4.09Å; K54-K58 CarbonylContact O-C 3.52Å; K54-K58 VanDerWaalsContact O-C 3.32Å; K54-K58 VanDerWaalsContact O-CA 3.27Å; K54-K58 WeakPolarHBondContact O-CA 3.16Å; K54-K58 WeakPolarHBondContact O-CB 3.44Å; K54-K58 PolarHBondContact O-N 3.38Å; K58-G60 VanDerWaalsContact C-N 3.27Å; K58-G60 PolarHBondContact O-N 2.83Å; K58-Q188 WeakPolarHBondContact CD-O 3.22Å; K58-Q188 PolarHBondContact NZ-O 2.66Å; K58-F189 HydrophobicContact CD-CB 4.21Å; K58-F189 HydrophobicContact CG-CB 4.03Å
59N94Very high96.5Very high169 Ų16953.8 Ų53.890%0.90426%0.264SS*.  trans61.827.3177.4-52-46.6000114.9
60G95.5Very high96.4Very high6 Ų656 Ų566%0.06227%0.274CS..  trans78.7-164174.800000114.9K54 K58 E171K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.29Å; K54-G60 PolarHBondContact O-N 2.93Å; K58-G60 VanDerWaalsContact C-N 3.27Å; K58-G60 PolarHBondContact O-N 2.83Å; G60-E171 WeakPolarHBondContact CA-OE1 3.47Å
61Y96.9Very high96.3Very high33 Ų3357.6 Ų57.613%0.12929%0.289CS..  trans-101.6130.4171.7-69.4-98.3000109.4K51 K54 I55 E65 C66 F69 E171 V174K51-Y61 WeakPolarHBondContact CA-OH 3.5Å; K51-Y61 HydrophobicContact CB-CE2 4.48Å; K51-Y61 WeakPolarHBondContact CB-OH 3.33Å; K51-Y61 VanDerWaalsContact CG-OH 3.3Å; K51-Y61 WeakPolarHBondContact CG-OH 3.12Å; K54-Y61 HydrophobicContact CB-CE2 4.29Å; K54-Y61 HydrophobicContact CD-CD1 4.09Å; K54-Y61 HydrophobicContact CD-CD2 4.47Å; K54-Y61 HydrophobicContact CD-CE1 3.65Å; K54-Y61 HydrophobicContact CD-CE2 4.07Å; K54-Y61 HydrophobicContact CD-CG 4.47Å; K54-Y61 HydrophobicContact CG-CE2 4.31Å; K54-Y61 VanDerWaalsContact NZ-CD1 3.32Å; I55-Y61 HydrophobicContact CD1-CD2 4.39Å; I55-Y61 HydrophobicContact CD1-CE2 4.15Å; I55-Y61 HydrophobicContact CG1-CD2 3.87Å; I55-Y61 HydrophobicContact CG1-CE2 3.76Å; Y61-E65 HydrophobicContact CD1-CB 4.17Å; Y61-C66 VanDerWaalsContact CB-SG 3.5Å; Y61-F69 HydrophobicContact CD1-CE2 4.11Å; Y61-F69 AromaticContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CZ 4.18Å; Y61-E171 HydrophobicContact CD2-CG 4.47Å; Y61-E171 PolarHBondContact N-OE1 3.24Å; Y61-E171 VanDerWaalsContact N-OE1 3.14Å; Y61-V174 HydrophobicContact CD1-CG1 4.28Å; Y61-V174 HydrophobicContact CD2-CG1 4.21Å; Y61-V174 HydrophobicContact CE1-CG1 3.92Å; Y61-V174 HydrophobicContact CE2-CG1 3.85Å; Y61-V174 HydrophobicContact CG-CG1 4.42Å
62S96.9Very high96.1Very high58 Ų5858.2 Ų58.241%0.40630%0.295SS..  trans-67.3160.9169.364.30000111Q64 E65 C66S62-Q64 PolarHBondContact O-N 3.19Å; S62-E65 PolarHBondContact N-OE2 2.95Å; S62-E65 PolarHBondContact O-N 3.41Å; S62-E65 VanDerWaalsContact O-N 3.08Å; S62-E65 VanDerWaalsContact OG-CG 3.24Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 3.14Å; S62-E65 PolarHBondContact OG-OE2 3.21Å; S62-E65 VanDerWaalsContact OG-OE2 3.06Å; S62-C66 PolarHBondContact O-N 2.9Å
63E96.6Very high96.1Very high141 Ų14158.2 Ų58.266%0.65930%0.295SS*.Hα-helixtrans-54.1-42.2177.4-161-176.5149.200112.1C66 M67 V168E63-C66 WeakPolarHBondContact O-CB 3.48Å; E63-C66 PolarHBondContact O-N 3.06Å; E63-M67 WeakPolarHBondContact O-CG 3.24Å; E63-M67 PolarHBondContact O-N 3.28Å; E63-V168 HydrophobicContact CG-CG1 3.68Å
64Q96.6Very high96Very high136 Ų13659.1 Ų59.164%0.63630%0.298SS*.Hα-helixtrans-63.2-43.1177.9-176.65940.600112.1S62 M67 E68S62-Q64 PolarHBondContact O-N 3.19Å; Q64-M67 WeakPolarHBondContact O-CB 3.44Å; Q64-M67 PolarHBondContact O-N 3.34Å; Q64-E68 PolarHBondContact O-N 2.89Å
65E97Very high96Very high63 Ų6359.2 Ų59.229%0.29430%0.304SS..Hα-helixtrans-69.2-38.1177.5-67.7170.7126.400111.5K54 Y61 S62 M67 E68 F69K54-E65 IonicContact NZ-OE1 3.64Å; K54-E65 PolarHBondContact NZ-OE1 3.26Å; K54-E65 IonicContact NZ-OE2 2.8Å; K54-E65 PolarHBondContact NZ-OE2 3.24Å; Y61-E65 HydrophobicContact CD1-CB 4.17Å; S62-E65 PolarHBondContact N-OE2 2.95Å; S62-E65 PolarHBondContact O-N 3.41Å; S62-E65 VanDerWaalsContact O-N 3.08Å; S62-E65 VanDerWaalsContact OG-CG 3.24Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 3.14Å; S62-E65 PolarHBondContact OG-OE2 3.21Å; S62-E65 VanDerWaalsContact OG-OE2 3.06Å; E65-M67 VanDerWaalsContact C-N 3.27Å; E65-M67 PolarHBondContact O-N 2.91Å; E65-E68 WeakPolarHBondContact O-CB 3Å; E65-E68 PolarHBondContact O-N 3.08Å; E65-F69 VanDerWaalsContact O-CD2 3.27Å; E65-F69 WeakPolarHBondContact O-CD2 3.36Å
66C97.7Very high95.9Very high6 Ų658.5 Ų58.54%0.04130%0.3CS..Hα-helixtrans-59.5-40.2172.2-78.60000111.6Y61 S62 E63 E68 F69 V168 P169Y61-C66 VanDerWaalsContact CB-SG 3.5Å; S62-C66 PolarHBondContact O-N 2.9Å; E63-C66 WeakPolarHBondContact O-CB 3.48Å; E63-C66 PolarHBondContact O-N 3.06Å; C66-E68 PolarHBondContact O-N 3.14Å; C66-F69 WeakPolarHBondContact O-CB 3.43Å; C66-F69 PolarHBondContact O-N 2.92Å; C66-V168 HydrophobicContact CB-CG1 4.49Å; C66-P169 HydrophobicContact CB-CB 4.3Å; C66-P169 WeakPolarHBondContact CB-O 3.18Å; C66-P169 WeakPolarHBondContact O-CB 3.34Å; C66-P169 VanDerWaalsContact O-CG 3.29Å; C66-P169 WeakPolarHBondContact O-CG 3.4Å; C66-P169 PolarHBondContact SG-O 3.04Å
67M96.3Very high95.9Very high69 Ų6956.7 Ų56.734%0.3429%0.291SS..Hα-helixtrans-61.6-29.4177.8-77.3-61.9-66.500113.3E63 Q64 E65 F69 K70 V168E63-M67 WeakPolarHBondContact O-CG 3.24Å; E63-M67 PolarHBondContact O-N 3.28Å; Q64-M67 WeakPolarHBondContact O-CB 3.44Å; Q64-M67 PolarHBondContact O-N 3.34Å; E65-M67 VanDerWaalsContact C-N 3.27Å; E65-M67 PolarHBondContact O-N 2.91Å; M67-F69 PolarHBondContact O-N 2.97Å; M67-K70 HydrophobicContact CE-CD 3.87Å; M67-K70 VanDerWaalsContact O-CB 3.23Å; M67-K70 WeakPolarHBondContact O-CB 3.29Å; M67-K70 PolarHBondContact O-N 3.01Å; M67-K70 VanDerWaalsContact O-N 3.13Å; M67-K70 HydrophobicContact SD-CD 4.3Å; M67-V168 HydrophobicContact CG-CG1 4.17Å; M67-V168 HydrophobicContact SD-CB 4.14Å; M67-V168 HydrophobicContact SD-CG1 3.98Å; M67-V168 HydrophobicContact SD-CG2 3.89Å
68E95.3Very high96Very high130 Ų13055.7 Ų55.761%0.60729%0.287SS*.Hα-helixtrans-64-26175-63.9172.5-175.900112.5Q64 E65 C66 K70Q64-E68 PolarHBondContact O-N 2.89Å; E65-E68 WeakPolarHBondContact O-CB 3Å; E65-E68 PolarHBondContact O-N 3.08Å; C66-E68 PolarHBondContact O-N 3.14Å; E68-K70 VanDerWaalsContact C-N 3.32Å; E68-K70 PolarHBondContact O-N 3.23Å
69F96.4Very high96.1Very high36 Ų3655.6 Ų55.616%0.15829%0.288CS..THydrogen-bonded Turntrans-79.7-11.6177-71.7-87.7000113.6Y61 E65 C66 M67 A71 V72 I73 V174 S177Y61-F69 HydrophobicContact CD1-CE2 4.11Å; Y61-F69 AromaticContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CE2 3.87Å; Y61-F69 HydrophobicContact CE1-CZ 4.18Å; E65-F69 VanDerWaalsContact O-CD2 3.27Å; E65-F69 WeakPolarHBondContact O-CD2 3.36Å; C66-F69 WeakPolarHBondContact O-CB 3.43Å; C66-F69 PolarHBondContact O-N 2.92Å; M67-F69 PolarHBondContact O-N 2.97Å; F69-A71 PolarHBondContact O-N 3.1Å; F69-V72 WeakPolarHBondContact O-CB 3.31Å; F69-V72 PolarHBondContact O-N 3.33Å; F69-V72 VanDerWaalsContact O-N 3.09Å; F69-I73 HydrophobicContact CB-CD1 3.99Å; F69-I73 WeakPolarHBondContact O-CD1 3.3Å; F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.4Å; F69-I73 PolarHBondContact O-N 3.11Å; F69-V174 HydrophobicContact CB-CG2 4.29Å; F69-V174 HydrophobicContact CD1-CG1 4.27Å; F69-V174 HydrophobicContact CD2-CB 4.44Å; F69-V174 HydrophobicContact CD2-CG1 4.02Å; F69-V174 HydrophobicContact CD2-CG2 3.69Å; F69-V174 HydrophobicContact CE1-CG1 4.01Å; F69-V174 HydrophobicContact CE2-CG1 3.75Å; F69-V174 HydrophobicContact CE2-CG2 4.19Å; F69-V174 HydrophobicContact CG-CG1 4.28Å; F69-V174 HydrophobicContact CG-CG2 3.95Å; F69-V174 HydrophobicContact CZ-CG1 3.75Å; F69-S177 VanDerWaalsContact CD1-OG 3.3Å; F69-S177 WeakPolarHBondContact CD1-OG 3.38Å
70K95.9Very high96.3Very high46 Ų4647.6 Ų47.620%0.225%0.245CC..Hα-helixtrans-58.1-47.3-172.9-173.3169.5-177.6162.90113.1M67 E68 V72 I73 Y74 Y167 P169M67-K70 HydrophobicContact CE-CD 3.87Å; M67-K70 VanDerWaalsContact O-CB 3.23Å; M67-K70 WeakPolarHBondContact O-CB 3.29Å; M67-K70 PolarHBondContact O-N 3.01Å; M67-K70 VanDerWaalsContact O-N 3.13Å; M67-K70 HydrophobicContact SD-CD 4.3Å; E68-K70 VanDerWaalsContact C-N 3.32Å; E68-K70 PolarHBondContact O-N 3.23Å; K70-V72 VanDerWaalsContact C-N 3.32Å; K70-V72 PolarHBondContact O-N 3.17Å; K70-I73 PolarHBondContact O-N 3.22Å; K70-Y74 HydrophobicContact CD-CE2 4.3Å; K70-Y74 WeakPolarHBondContact CE-OH 3.45Å; K70-Y74 HydrophobicContact CG-CD2 4.25Å; K70-Y74 HydrophobicContact CG-CE2 3.76Å; K70-Y74 PolarHBondContact O-N 3.4Å; K70-Y167 HydrophobicContact CG-CD1 4.49Å; K70-Y167 PolarHBondContact NZ-O 3.1Å; K70-P169 HydrophobicContact CB-CG 4.04Å
71A94.5Very high96.4Very high50 Ų5047.3 Ų47.341%0.41324%0.242SC..Hα-helixtrans-64.6-37.6177.600000112F69 Y74 S75F69-A71 PolarHBondContact O-N 3.1Å; A71-Y74 PolarHBondContact O-N 2.93Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.96Å
72V95.2Very high96.4Very high39 Ų3947.6 Ų47.624%0.23625%0.246CC..Hα-helixtrans-63.9-44.8176176.90000110.7F69 K70 Y74 S75 N76 V179F69-V72 WeakPolarHBondContact O-CB 3.31Å; F69-V72 PolarHBondContact O-N 3.33Å; F69-V72 VanDerWaalsContact O-N 3.09Å; K70-V72 VanDerWaalsContact C-N 3.32Å; K70-V72 PolarHBondContact O-N 3.17Å; V72-Y74 PolarHBondContact O-N 3.36Å; V72-S75 PolarHBondContact O-N 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.27Å; V72-N76 PolarHBondContact O-N 2.84Å; V72-N76 PolarHBondContact O-OD1 3.49Å; V72-V179 HydrophobicContact CB-CG2 4.47Å; V72-V179 HydrophobicContact CG1-CG2 3.56Å; V72-V179 HydrophobicContact CG2-CG2 4.05Å
73I97.1Very high96.4Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-60.1-46.9178.6-70.6157.8000110.6F69 K70 N76 T77 Y155 I162 P169 D173F69-I73 HydrophobicContact CB-CD1 3.99Å; F69-I73 WeakPolarHBondContact O-CD1 3.3Å; F69-I73 VanDerWaalsContact O-CG1 3.29Å; F69-I73 WeakPolarHBondContact O-CG1 3.4Å; F69-I73 PolarHBondContact O-N 3.11Å; K70-I73 PolarHBondContact O-N 3.22Å; I73-N76 PolarHBondContact O-N 2.97Å; I73-T77 WeakPolarHBondContact O-CB 3.41Å; I73-T77 PolarHBondContact O-N 3.45Å; I73-T77 PolarHBondContact O-OG1 2.9Å; I73-Y155 HydrophobicContact CB-CE1 4.35Å; I73-Y155 HydrophobicContact CG1-CE1 4.13Å; I73-Y155 HydrophobicContact CG2-CD1 3.77Å; I73-Y155 HydrophobicContact CG2-CE1 3.5Å; I73-Y155 VanDerWaalsContact CG2-CE1 3.5Å; I73-Y155 HydrophobicContact CG2-CG 4.46Å; I73-I162 HydrophobicContact CG2-CD1 4.4Å; I73-P169 HydrophobicContact CD1-CB 3.62Å; I73-P169 HydrophobicContact CD1-CG 3.62Å; I73-D173 HydrophobicContact CD1-CB 3.72Å
74Y96.2Very high96.5Very high19 Ų1939.3 Ų39.38%0.07521%0.205CC..Hα-helixtrans-63.3-44.4176.1-68.5-17.9000112.5K70 A71 V72 N76 T77 L78 G117 M119 I162 Y167K70-Y74 HydrophobicContact CD-CE2 4.3Å; K70-Y74 WeakPolarHBondContact CE-OH 3.45Å; K70-Y74 HydrophobicContact CG-CD2 4.25Å; K70-Y74 HydrophobicContact CG-CE2 3.76Å; K70-Y74 PolarHBondContact O-N 3.4Å; A71-Y74 PolarHBondContact O-N 2.93Å; V72-Y74 PolarHBondContact O-N 3.36Å; Y74-N76 PolarHBondContact O-N 3.29Å; Y74-T77 PolarHBondContact O-N 3.25Å; Y74-L78 WeakPolarHBondContact O-CB 3.33Å; Y74-L78 PolarHBondContact O-N 3Å; Y74-G117 VanDerWaalsContact CB-O 3.22Å; Y74-G117 WeakPolarHBondContact CB-O 3.34Å; Y74-M119 HydrophobicContact CD1-CB 3.71Å; Y74-M119 HydrophobicContact CD1-CE 4.32Å; Y74-M119 HydrophobicContact CD1-CG 4.34Å; Y74-M119 HydrophobicContact CD2-CB 3.54Å; Y74-M119 HydrophobicContact CE1-CB 3.85Å; Y74-M119 HydrophobicContact CE1-CG 4.4Å; Y74-M119 HydrophobicContact CE2-CB 3.68Å; Y74-M119 HydrophobicContact CG-CB 3.55Å; Y74-I162 WeakPolarHBondContact CE1-O 3.18Å; Y74-I162 PolarHBondContact OH-O 2.91Å; Y74-Y167 HydrophobicContact CE1-CD1 4.31Å; Y74-Y167 HydrophobicContact CE1-CE1 4.33Å
75S94.8Very high96.6Very high41 Ų4132.9 Ų32.929%0.28718%0.175SC..Hα-helixtrans-59-45.9173.8-178.80000111.9A71 V72 T77 L78 Q79A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.96Å; V72-S75 PolarHBondContact O-N 3.29Å; S75-T77 VanDerWaalsContact C-N 3.32Å; S75-T77 PolarHBondContact O-N 3.45Å; S75-L78 PolarHBondContact O-N 3.42Å; S75-Q79 VanDerWaalsContact O-CB 3.29Å; S75-Q79 WeakPolarHBondContact O-CB 3.47Å; S75-Q79 WeakPolarHBondContact O-CG 3.48Å; S75-Q79 PolarHBondContact O-N 3.43Å; S75-Q79 PolarHBondContact OG-NE2 3.38Å
76N95.9Very high96.6Very high6 Ų636.6 Ų36.63%0.03219%0.19CC..Hα-helixtrans-63.9-39.3179-65.5161.1000111.6V72 I73 Y74 S80 Y155 R178V72-N76 WeakPolarHBondContact O-CB 3.27Å; V72-N76 PolarHBondContact O-N 2.84Å; V72-N76 PolarHBondContact O-OD1 3.49Å; I73-N76 PolarHBondContact O-N 2.97Å; Y74-N76 PolarHBondContact O-N 3.29Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.5Å; N76-S80 PolarHBondContact O-OG 2.95Å; N76-Y155 HydrophobicContact CB-CE2 4.43Å; N76-R178 PolarHBondContact ND2-O 3.2Å; N76-R178 PolarHBondContact OD1-N 3.22Å; N76-R178 PolarHBondContact OD1-O 3.3Å
77T97.2Very high96.7Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-64-49.9177.1-550000110.8I73 Y74 S75 S80 I81 M119 Y155 L156 L159 I162I73-T77 WeakPolarHBondContact O-CB 3.41Å; I73-T77 PolarHBondContact O-N 3.45Å; I73-T77 PolarHBondContact O-OG1 2.9Å; Y74-T77 PolarHBondContact O-N 3.25Å; S75-T77 VanDerWaalsContact C-N 3.32Å; S75-T77 PolarHBondContact O-N 3.45Å; T77-S80 PolarHBondContact O-N 2.9Å; T77-I81 PolarHBondContact O-N 3.42Å; T77-I81 VanDerWaalsContact O-N 3.14Å; T77-M119 HydrophobicContact CG2-CE 4.21Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.31Å; T77-L156 HydrophobicContact CG2-CD2 3.87Å; T77-L159 HydrophobicContact CG2-CD2 3.81Å; T77-I162 HydrophobicContact CG2-CD1 4.32Å
78L96Very high96.7Very high21 Ų2133.3 Ų33.311%0.1117%0.174CC..Hα-helixtrans-62.5-45.2178.8178.260.2000112Y74 S75 S80 I81 L82 L107 A111 L114 L123 I127Y74-L78 WeakPolarHBondContact O-CB 3.33Å; Y74-L78 PolarHBondContact O-N 3Å; S75-L78 PolarHBondContact O-N 3.42Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.81Å; L78-I81 HydrophobicContact CD1-CG2 4.38Å; L78-I81 WeakPolarHBondContact O-CG2 3.13Å; L78-I81 PolarHBondContact O-N 3.06Å; L78-L82 HydrophobicContact CD1-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.17Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 3.33Å; L78-L107 HydrophobicContact CD1-CD1 3.8Å; L78-A111 HydrophobicContact CD1-CB 4.36Å; L78-A111 HydrophobicContact CD2-CB 4.41Å; L78-L114 HydrophobicContact CD2-CD1 3.5Å; L78-L123 HydrophobicContact CD1-CD1 4.33Å; L78-L123 HydrophobicContact CD1-CD2 4.45Å; L78-I127 HydrophobicContact CD1-CD1 4.29Å
79Q95.7Very high96.8Very high99 Ų9932.1 Ų32.146%0.46318%0.176SC..Hα-helixtrans-61.6-37.7176.5-74.4168.8-11.600111.9S75 A83S75-Q79 VanDerWaalsContact O-CB 3.29Å; S75-Q79 WeakPolarHBondContact O-CB 3.47Å; S75-Q79 WeakPolarHBondContact O-CG 3.48Å; S75-Q79 PolarHBondContact O-N 3.43Å; S75-Q79 PolarHBondContact OG-NE2 3.38Å; Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.48Å
80S97.8Very high96.7Very high1 Ų135.8 Ų35.81%0.00720%0.201CC..Hα-helixtrans-64.6-49.5179.2-60.10000111.4N76 T77 L78 L82 A83 I84 L148N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.5Å; N76-S80 PolarHBondContact O-OG 2.95Å; T77-S80 PolarHBondContact O-N 2.9Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.81Å; S80-L82 PolarHBondContact O-N 3.01Å; S80-A83 PolarHBondContact O-N 2.88Å; S80-I84 VanDerWaalsContact O-CG1 3.3Å; S80-I84 WeakPolarHBondContact O-CG1 3.4Å; S80-I84 PolarHBondContact O-N 3.32Å; S80-I84 VanDerWaalsContact O-N 3.11Å; S80-L148 WeakPolarHBondContact O-CD1 3.44Å
81I98.1Very high96.8Very high0 Ų035.3 Ų35.30%020%0.201CC..Hα-helixtrans-66.8-37.2178.7-170.464.4000112.3T77 L78 A83 I84 V85 L107 I127 L130 I136 L156T77-I81 PolarHBondContact O-N 3.42Å; T77-I81 VanDerWaalsContact O-N 3.14Å; L78-I81 HydrophobicContact CD1-CG2 4.38Å; L78-I81 WeakPolarHBondContact O-CG2 3.13Å; L78-I81 PolarHBondContact O-N 3.06Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3.47Å; I81-I84 PolarHBondContact O-N 3.29Å; I81-V85 HydrophobicContact CG1-CG2 4.39Å; I81-V85 WeakPolarHBondContact O-CB 3.37Å; I81-V85 WeakPolarHBondContact O-CG2 3.4Å; I81-V85 PolarHBondContact O-N 3.27Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 4.2Å; I81-L107 HydrophobicContact CG2-CD2 4.15Å; I81-I127 HydrophobicContact CB-CG2 4.17Å; I81-I127 HydrophobicContact CG1-CG2 4.14Å; I81-I127 HydrophobicContact CG2-CD1 4.01Å; I81-I127 HydrophobicContact CG2-CG1 4Å; I81-I127 HydrophobicContact CG2-CG2 4.11Å; I81-L130 HydrophobicContact CD1-CB 4.19Å; I81-L130 HydrophobicContact CG1-CB 4.49Å; I81-L130 HydrophobicContact CG1-CD1 4.48Å; I81-I136 HydrophobicContact CD1-CD1 4.5Å; I81-I136 HydrophobicContact CD1-CG2 4.39Å; I81-L156 HydrophobicContact CB-CD2 4.19Å
82L97.2Very high97Very high39 Ų3935.9 Ų35.920%0.20421%0.211CC..Hα-helixtrans-62.3-40.2174.6-74169000111.8L78 S80 K86 L107 Y108 A111L78-L82 HydrophobicContact CD1-CD1 3.99Å; L78-L82 HydrophobicContact CD1-CG 4.17Å; L78-L82 HydrophobicContact CG-CD1 3.85Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 3.33Å; S80-L82 PolarHBondContact O-N 3.01Å; L82-K86 WeakPolarHBondContact O-CB 3.35Å; L82-K86 PolarHBondContact O-N 3.35Å; L82-L107 HydrophobicContact CD2-CD2 3.87Å; L82-L107 HydrophobicContact CD2-CG 3.9Å; L82-L107 HydrophobicContact CG-CD2 4.42Å; L82-Y108 HydrophobicContact CD2-CD1 3.78Å; L82-Y108 HydrophobicContact CD2-CE1 3.69Å; L82-A111 HydrophobicContact CD1-CB 3.98Å; L82-A111 HydrophobicContact CD2-CB 4.2Å
83A97.9Very high97.1Very high25 Ų2535.4 Ų35.421%0.20721%0.207CC..Hα-helixtrans-62.6-43.8176.300000111.6Q79 S80 I81 K86 A87 L148Q79-A83 WeakPolarHBondContact O-CB 3.41Å; Q79-A83 PolarHBondContact O-N 2.48Å; S80-A83 PolarHBondContact O-N 2.88Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3.47Å; A83-K86 PolarHBondContact O-N 2.76Å; A83-A87 WeakPolarHBondContact O-CB 3.29Å; A83-A87 PolarHBondContact O-N 2.69Å; A83-L148 HydrophobicContact CB-CD1 4.09Å
84I98.6Very high97.1Very high0 Ų042 Ų420%024%0.243CC..Hα-helixtrans-65.2-48.1178.3-59.3165.1000110.7S80 I81 K86 A87 M88 W131 I136 C139 F140 Y146 L148 L156S80-I84 VanDerWaalsContact O-CG1 3.3Å; S80-I84 WeakPolarHBondContact O-CG1 3.4Å; S80-I84 PolarHBondContact O-N 3.32Å; S80-I84 VanDerWaalsContact O-N 3.11Å; I81-I84 PolarHBondContact O-N 3.29Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 3.21Å; I84-A87 CarbonylContact O-C 3.32Å; I84-A87 WeakPolarHBondContact O-CA 3.32Å; I84-A87 WeakPolarHBondContact O-CB 3.29Å; I84-A87 PolarHBondContact O-N 2.77Å; I84-M88 WeakPolarHBondContact O-CG 3.05Å; I84-M88 PolarHBondContact O-N 3.07Å; I84-W131 HydrophobicContact CD1-CE3 4.36Å; I84-W131 HydrophobicContact CD1-CZ3 3.75Å; I84-I136 HydrophobicContact CG2-CD1 4.06Å; I84-I136 HydrophobicContact CG2-CG2 4.07Å; I84-C139 HydrophobicContact CG2-CB 4.08Å; I84-F140 HydrophobicContact CD1-CD2 4.06Å; I84-Y146 HydrophobicContact CG1-CE2 4.18Å; I84-L148 HydrophobicContact CD1-CD1 4.19Å; I84-L148 HydrophobicContact CD1-CD2 4.09Å; I84-L148 HydrophobicContact CG1-CD1 3.83Å; I84-L148 HydrophobicContact CG1-CD2 3.93Å; I84-L156 HydrophobicContact CD1-CD1 3.95Å
85V98.1Very high97.2Very high0 Ų043.4 Ų43.40%025%0.248CC..Hα-helixtrans-58.9-41.1177.81670000111.6I81 M88 Q104 L107 Y108 L130 I136I81-V85 HydrophobicContact CG1-CG2 4.39Å; I81-V85 WeakPolarHBondContact O-CB 3.37Å; I81-V85 WeakPolarHBondContact O-CG2 3.4Å; I81-V85 PolarHBondContact O-N 3.27Å; V85-M88 PolarHBondContact O-N 3.4Å; V85-Q104 HydrophobicContact CG1-CB 4.38Å; V85-Q104 HydrophobicContact CG1-CG 3.67Å; V85-L107 HydrophobicContact CG2-CD2 4.01Å; V85-Y108 HydrophobicContact CG1-CE2 3.77Å; V85-L130 HydrophobicContact CG2-CD1 4.38Å; V85-I136 HydrophobicContact CG2-CD1 3.76Å
86K97.7Very high97.3Very high141 Ų14146.1 Ų46.161%0.61326%0.263SS*.Hα-helixtrans-63.6-44.3174.1-177.2179.9176.1-174.10111.2L82 A83 I84 M88 T89 T90L82-K86 WeakPolarHBondContact O-CB 3.35Å; L82-K86 PolarHBondContact O-N 3.35Å; A83-K86 PolarHBondContact O-N 2.76Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 3.21Å; K86-M88 VanDerWaalsContact C-N 3.31Å; K86-M88 PolarHBondContact O-N 3.21Å; K86-T89 PolarHBondContact O-N 3.36Å; K86-T90 PolarHBondContact O-N 3.5Å
87A98.2Very high97.4Very high4 Ų449.6 Ų49.63%0.03328%0.282CS..Hα-helixtrans-64.2-31.8179.300000113A83 I84 T89 T90 L91 Y146A83-A87 WeakPolarHBondContact O-CB 3.29Å; A83-A87 PolarHBondContact O-N 2.69Å; I84-A87 CarbonylContact O-C 3.32Å; I84-A87 WeakPolarHBondContact O-CA 3.32Å; I84-A87 WeakPolarHBondContact O-CB 3.29Å; I84-A87 PolarHBondContact O-N 2.77Å; A87-T89 VanDerWaalsContact C-N 3.27Å; A87-T89 PolarHBondContact O-N 3.49Å; A87-T90 PolarHBondContact O-N 3.47Å; A87-T90 VanDerWaalsContact O-N 3.14Å; A87-L91 HydrophobicContact CB-CD1 4.38Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.17Å; A87-L91 PolarHBondContact O-N 2.8Å; A87-Y146 HydrophobicContact CB-CD1 3.49Å; A87-Y146 VanDerWaalsContact CB-CD1 3.49Å; A87-Y146 HydrophobicContact CB-CD2 3.59Å; A87-Y146 HydrophobicContact CB-CE1 3.63Å; A87-Y146 HydrophobicContact CB-CE2 3.74Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å
88M98Very high97.2Very high3 Ų355.1 Ų55.12%0.01532%0.317CS..Hα-helixtrans-54.5-44.8174.1-71.4-170.774.800112I84 V85 K86 L91 G92 I93 Y95 I136 C139I84-M88 WeakPolarHBondContact O-CG 3.05Å; I84-M88 PolarHBondContact O-N 3.07Å; V85-M88 PolarHBondContact O-N 3.4Å; K86-M88 VanDerWaalsContact C-N 3.31Å; K86-M88 PolarHBondContact O-N 3.21Å; M88-L91 PolarHBondContact O-N 2.99Å; M88-G92 PolarHBondContact O-N 3.16Å; M88-I93 HydrophobicContact CE-CB 4.43Å; M88-I93 HydrophobicContact CE-CG2 4.04Å; M88-I93 VanDerWaalsContact CE-O 3.31Å; M88-I93 WeakPolarHBondContact CE-O 3.25Å; M88-I93 PolarHBondContact O-N 3.19Å; M88-Y95 HydrophobicContact CE-CD1 3.63Å; M88-Y95 HydrophobicContact CE-CE1 3.67Å; M88-Y95 HydrophobicContact CE-CG 4.12Å; M88-Y95 HydrophobicContact SD-CD1 3.96Å; M88-Y95 HydrophobicContact SD-CE1 3.35Å; M88-Y95 WeakPolarHBondContact SD-CE1 3.39Å; M88-I136 HydrophobicContact CE-CG1 4.43Å; M88-I136 HydrophobicContact CG-CD1 4.22Å; M88-I136 HydrophobicContact SD-CB 4.43Å; M88-I136 HydrophobicContact SD-CD1 3.18Å; M88-I136 WeakPolarHBondContact SD-CD1 3.27Å; M88-I136 HydrophobicContact SD-CG1 3.54Å; M88-I136 VanDerWaalsContact SD-CG1 3.54Å; M88-C139 HydrophobicContact CG-CB 3.7Å; M88-C139 PolarHBondContact N-SG 2.91Å
89T95.6Very high97.1Very high105 Ų10560.8 Ų60.864%0.64434%0.337SS*.Hα-helixtrans-66-44.1178-57.30000111.2K86 A87 L91 G92K86-T89 PolarHBondContact O-N 3.36Å; A87-T89 VanDerWaalsContact C-N 3.27Å; A87-T89 PolarHBondContact O-N 3.49Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 2.65Å; T89-G92 PolarHBondContact O-N 2.62Å
90T96.2Very high97.2Very high112 Ų11256.1 Ų56.169%0.68732%0.315SS*.Hα-helixtrans-64.4-36.8179.5-58.60000112.7K86 A87K86-T90 PolarHBondContact O-N 3.5Å; A87-T90 PolarHBondContact O-N 3.47Å; A87-T90 VanDerWaalsContact O-N 3.14Å
91L97.6Very high97.1Very high36 Ų3657.7 Ų57.719%0.18833%0.329CS..Hα-helixtrans-91.2-1.9-177.2-60.9173.5000113.5A87 M88 T89 I93 R142 E145 Y146A87-L91 HydrophobicContact CB-CD1 4.38Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.17Å; A87-L91 PolarHBondContact O-N 2.8Å; M88-L91 PolarHBondContact O-N 2.99Å; T89-L91 VanDerWaalsContact C-N 3.33Å; T89-L91 PolarHBondContact O-N 2.65Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.96Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-R142 HydrophobicContact CD1-CB 4.2Å; L91-E145 HydrophobicContact CD2-CB 4.2Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.42Å; L91-Y146 HydrophobicContact CD1-CD1 4.02Å; L91-Y146 HydrophobicContact CD1-CE1 4.05Å
92G97.4Very high97Very high62 Ų6261.3 Ų61.364%0.63935%0.346SS*.THydrogen-bonded Turntrans6437.2-178.400000113.3M88 T89M88-G92 PolarHBondContact O-N 3.16Å; T89-G92 PolarHBondContact O-N 2.62Å
93I97.8Very high97Very high30 Ų3059.5 Ų59.515%0.15434%0.336CS..PPolyproline II helixtrans-98.2120.6179-56.8172.9000108.5M88 L91 G135 C139M88-I93 HydrophobicContact CE-CB 4.43Å; M88-I93 HydrophobicContact CE-CG2 4.04Å; M88-I93 VanDerWaalsContact CE-O 3.31Å; M88-I93 WeakPolarHBondContact CE-O 3.25Å; M88-I93 PolarHBondContact O-N 3.19Å; L91-I93 HydrophobicContact CB-CD1 3.9Å; L91-I93 HydrophobicContact CB-CG1 3.96Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; I93-G135 WeakPolarHBondContact CG2-O 3.29Å; I93-C139 HydrophobicContact CD1-CB 3.69Å
94D97.7Very high97Very high139 Ų13960.4 Ų60.474%0.74334%0.336SS*.PPolyproline II helixtrans-81.5152.8177.9-68.7-42.2000112.1
95Y98Very high96.9Very high47 Ų4767.4 Ų67.418%0.18436%0.363CS..PPolyproline II helixtrans-67.6135165.7-67.7-68000110.6M88 A101 Q104 L130 I136M88-Y95 HydrophobicContact CE-CD1 3.63Å; M88-Y95 HydrophobicContact CE-CE1 3.67Å; M88-Y95 HydrophobicContact CE-CG 4.12Å; M88-Y95 HydrophobicContact SD-CD1 3.96Å; M88-Y95 HydrophobicContact SD-CE1 3.35Å; M88-Y95 WeakPolarHBondContact SD-CE1 3.39Å; Y95-A101 HydrophobicContact CD2-CB 4.17Å; Y95-Q104 HydrophobicContact CE2-CB 4.41Å; Y95-Q104 VanDerWaalsContact CZ-OE1 3.25Å; Y95-Q104 PolarHBondContact OH-OE1 3.29Å; Y95-L130 HydrophobicContact CE1-CD2 4.08Å; Y95-I136 HydrophobicContact CD1-CG1 4.36Å; Y95-I136 HydrophobicContact CE1-CD1 4.03Å; Y95-I136 HydrophobicContact CE1-CG1 3.88Å
96V97.7Very high96.8Very high99 Ų9970.7 Ų70.760%0.638%0.378SS*.SBendtrans-81.2-34.7173.8175.50000110.6D133 P134V96-D133 PolarHBondContact N-OD1 3.05Å; V96-D133 PolarHBondContact N-OD2 3.36Å; V96-P134 HydrophobicContact CB-CB 4.14Å; V96-P134 HydrophobicContact CB-CG 4.17Å; V96-P134 HydrophobicContact CG1-CB 4.45Å; V96-P134 HydrophobicContact CG1-CG 4.19Å; V96-P134 HydrophobicContact CG2-CB 3.94Å
97N96.4Very high96.8Very high79 Ų7964 Ų6442%0.42235%0.349SS..SBendtrans-93.8122.1174.2-174.2-18.3000110.6R99 S100 D133N97-R99 PolarHBondContact O-N 3.05Å; N97-R99 VanDerWaalsContact O-N 3.09Å; N97-R99 VanDerWaalsContact OD1-CB 3.32Å; N97-R99 WeakPolarHBondContact OD1-CB 3.18Å; N97-R99 PolarHBondContact OD1-N 3.42Å; N97-S100 VanDerWaalsContact O-CB 3.25Å; N97-S100 WeakPolarHBondContact O-CB 3.48Å; N97-S100 PolarHBondContact O-N 3Å; N97-S100 PolarHBondContact O-OG 3.14Å; N97-D133 VanDerWaalsContact CB-OD2 3.26Å; N97-D133 WeakPolarHBondContact CB-OD2 3.43Å; N97-D133 PolarHBondContact N-OD2 2.92Å
98P92.8Very high96.7Very high115 Ų11567.5 Ų67.575%0.74736%0.362SS*.Hα-helixtrans-56.5-28.2177.5-26.534.9000114.3S100P98-S100 VanDerWaalsContact C-N 3.26Å; P98-S100 PolarHBondContact O-N 3.49Å
99R95.5Very high96.5Very high140 Ų14070.1 Ų70.153%0.52838%0.384SS..Hα-helixtrans-66.3-28.6176.5-172.4176.5177.3170.31.3112.3N97 A101 E102 D103N97-R99 PolarHBondContact O-N 3.05Å; N97-R99 VanDerWaalsContact O-N 3.09Å; N97-R99 VanDerWaalsContact OD1-CB 3.32Å; N97-R99 WeakPolarHBondContact OD1-CB 3.18Å; N97-R99 PolarHBondContact OD1-N 3.42Å; R99-A101 PolarHBondContact O-N 3.45Å; R99-E102 WeakPolarHBondContact O-CA 3.31Å; R99-E102 WeakPolarHBondContact O-CB 3.48Å; R99-E102 PolarHBondContact O-N 3.48Å; R99-D103 PolarHBondContact O-N 3.34Å
100S97.2Very high96.4Very high1 Ų167.2 Ų67.21%0.00736%0.364CS..Hα-helixtrans-63.5-29.6-177.6-57.40000112.6N97 P98 E102 D103 Q104 L130 D133N97-S100 VanDerWaalsContact O-CB 3.25Å; N97-S100 WeakPolarHBondContact O-CB 3.48Å; N97-S100 PolarHBondContact O-N 3Å; N97-S100 PolarHBondContact O-OG 3.14Å; P98-S100 VanDerWaalsContact C-N 3.26Å; P98-S100 PolarHBondContact O-N 3.49Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 2.9Å; S100-D103 PolarHBondContact O-N 3.41Å; S100-Q104 WeakPolarHBondContact O-CB 3.14Å; S100-Q104 PolarHBondContact O-N 2.96Å; S100-L130 WeakPolarHBondContact O-CD2 3.34Å; S100-D133 WeakPolarHBondContact CB-OD2 3.38Å; S100-D133 PolarHBondContact OG-OD2 2.87Å
101A94.9Very high96.2Very high35 Ų3562.9 Ų62.929%0.28934%0.339SS..Hα-helixtrans-65.9-33.1173.300000112.8Y95 R99 R105Y95-A101 HydrophobicContact CD2-CB 4.17Å; R99-A101 PolarHBondContact O-N 3.45Å; A101-R105 PolarHBondContact O-N 3.2Å
102E96.5Very high95.7Very high75 Ų7567.8 Ų67.835%0.3537%0.365SS..Hα-helixtrans-75.7-41.7172.3177.655.6-150.200111R99 S100 Q104 R105 Q106R99-E102 WeakPolarHBondContact O-CA 3.31Å; R99-E102 WeakPolarHBondContact O-CB 3.48Å; R99-E102 PolarHBondContact O-N 3.48Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 2.9Å; E102-Q104 VanDerWaalsContact C-N 3.26Å; E102-Q104 PolarHBondContact O-N 3.11Å; E102-R105 WeakPolarHBondContact O-CB 3.38Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-R105 IonicContact OE2-CZ 2.73Å; E102-R105 IonicContact OE2-NE 3.4Å; E102-R105 PolarHBondContact OE2-NE 3.3Å; E102-R105 IonicContact OE2-NH2 3.49Å; E102-R105 PolarHBondContact OE2-NH2 3.44Å; E102-Q106 WeakPolarHBondContact O-CG 3.23Å; E102-Q106 PolarHBondContact O-N 3.29Å; E102-Q106 PolarHBondContact OE1-NE2 3.45Å
103D98Very high95Very high2 Ų269.9 Ų69.91%0.01137%0.366CS..Hα-helixtrans-60.9-35.2175.2-70.9-31.2000111.7R99 S100 Q106 L107 V126 R129 L130R99-D103 PolarHBondContact O-N 3.34Å; S100-D103 PolarHBondContact O-N 3.41Å; D103-Q106 PolarHBondContact O-N 3.05Å; D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 PolarHBondContact O-N 3.05Å; D103-V126 HydrophobicContact CB-CG1 4.11Å; D103-V126 VanDerWaalsContact O-CG1 3.27Å; D103-V126 WeakPolarHBondContact O-CG1 3.27Å; D103-R129 VanDerWaalsContact CG-NE 3.31Å; D103-R129 IonicContact OD1-CZ 2.74Å; D103-R129 VanDerWaalsContact OD1-CZ 3.3Å; D103-R129 IonicContact OD1-NE 3.22Å; D103-R129 PolarHBondContact OD1-NE 2.91Å; D103-R129 IonicContact OD1-NH2 2.65Å; D103-R129 PolarHBondContact OD1-NH2 2.99Å; D103-R129 VanDerWaalsContact OD2-CB 3.29Å; D103-R129 WeakPolarHBondContact OD2-CB 2.96Å; D103-R129 WeakPolarHBondContact OD2-CD 3.31Å; D103-R129 IonicContact OD2-CZ 3.96Å; D103-R129 IonicContact OD2-NE 3.62Å; D103-R129 PolarHBondContact OD2-NE 3.12Å; D103-R129 IonicContact OD2-NH2 3.13Å; D103-L130 HydrophobicContact CB-CD1 4.33Å; D103-L130 HydrophobicContact CB-CD2 3.8Å; D103-L130 HydrophobicContact CB-CG 3.81Å
104Q97.5Very high94.1Very high44 Ų4470.8 Ų70.821%0.20637%0.371CS..Hα-helixtrans-59.1-47.3170.5167.7178.5-34.500111.7V85 Y95 S100 E102 Q106 L107 Y108V85-Q104 HydrophobicContact CG1-CB 4.38Å; V85-Q104 HydrophobicContact CG1-CG 3.67Å; Y95-Q104 HydrophobicContact CE2-CB 4.41Å; Y95-Q104 VanDerWaalsContact CZ-OE1 3.25Å; Y95-Q104 PolarHBondContact OH-OE1 3.29Å; S100-Q104 WeakPolarHBondContact O-CB 3.14Å; S100-Q104 PolarHBondContact O-N 2.96Å; E102-Q104 VanDerWaalsContact C-N 3.26Å; E102-Q104 PolarHBondContact O-N 3.11Å; Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 3.13Å; Q104-L107 WeakPolarHBondContact O-CB 3.29Å; Q104-L107 PolarHBondContact O-N 2.94Å; Q104-Y108 HydrophobicContact CG-CD2 3.74Å; Q104-Y108 HydrophobicContact CG-CE2 3.57Å; Q104-Y108 VanDerWaalsContact O-CD2 3.26Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Q104-Y108 PolarHBondContact O-N 3.22Å; Q104-Y108 VanDerWaalsContact O-N 3.07Å
105R96.4Very high92.8Very high146 Ų14672.8 Ų72.855%0.55138%0.376SS*.Hα-helixtrans-61.8-43.3179.5-73.2-173.5-72.7-94.14.7110.9A101 E102 Y108 A109A101-R105 PolarHBondContact O-N 3.2Å; E102-R105 WeakPolarHBondContact O-CB 3.38Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-R105 IonicContact OE2-CZ 2.73Å; E102-R105 IonicContact OE2-NE 3.4Å; E102-R105 PolarHBondContact OE2-NE 3.3Å; E102-R105 IonicContact OE2-NH2 3.49Å; E102-R105 PolarHBondContact OE2-NH2 3.44Å; R105-Y108 PolarHBondContact O-N 3.22Å; R105-A109 WeakPolarHBondContact O-CB 3.46Å; R105-A109 PolarHBondContact O-N 3.42Å; R105-A109 VanDerWaalsContact O-N 3.08Å
106Q96.4Very high91.3Very high70 Ų7077.5 Ų77.533%0.32740%0.404SS..Hα-helixtrans-63.2-44.7175.8-67.7178.519.500111.6E102 D103 Q104 Y108 A109 M110 V126E102-Q106 WeakPolarHBondContact O-CG 3.23Å; E102-Q106 PolarHBondContact O-N 3.29Å; E102-Q106 PolarHBondContact OE1-NE2 3.45Å; D103-Q106 PolarHBondContact O-N 3.05Å; Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 3.13Å; Q106-Y108 PolarHBondContact O-N 2.99Å; Q106-A109 PolarHBondContact O-N 3.08Å; Q106-M110 WeakPolarHBondContact O-CB 3.3Å; Q106-M110 VanDerWaalsContact O-CG 3.23Å; Q106-M110 WeakPolarHBondContact O-CG 3.39Å; Q106-M110 PolarHBondContact O-N 3.34Å; Q106-V126 HydrophobicContact CB-CG1 4.47Å; Q106-V126 HydrophobicContact CB-CG2 4.23Å
107L96.9Very high90Very high0 Ų074 Ų740%039%0.388CS..Hα-helixtrans-54.7-50.7177.1178.567.1000111.3L78 I81 L82 V85 D103 Q104 M110 A111 L123 V126 I127 L130L78-L107 HydrophobicContact CD1-CD1 3.8Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 4.2Å; I81-L107 HydrophobicContact CG2-CD2 4.15Å; L82-L107 HydrophobicContact CD2-CD2 3.87Å; L82-L107 HydrophobicContact CD2-CG 3.9Å; L82-L107 HydrophobicContact CG-CD2 4.42Å; V85-L107 HydrophobicContact CG2-CD2 4.01Å; D103-L107 WeakPolarHBondContact O-CB 3.48Å; D103-L107 PolarHBondContact O-N 3.05Å; Q104-L107 WeakPolarHBondContact O-CB 3.29Å; Q104-L107 PolarHBondContact O-N 2.94Å; L107-M110 PolarHBondContact O-N 3.05Å; L107-A111 VanDerWaalsContact O-CB 3.25Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.16Å; L107-L123 HydrophobicContact CD1-CD1 3.8Å; L107-V126 HydrophobicContact CB-CG1 3.98Å; L107-I127 HydrophobicContact CD1-CD1 4.4Å; L107-I127 HydrophobicContact CD1-CG1 3.89Å; L107-L130 HydrophobicContact CB-CD1 4.03Å; L107-L130 HydrophobicContact CD2-CD1 3.68Å; L107-L130 HydrophobicContact CG-CD1 4.35Å
108Y95.9Very high89.4Confident78 Ų7871.8 Ų71.831%0.30638%0.383SS..Hα-helixtrans-64.5-40.8179.2-77.3-60.2000112.8L82 V85 Q104 R105 Q106 M110 A111 N112L82-Y108 HydrophobicContact CD2-CD1 3.78Å; L82-Y108 HydrophobicContact CD2-CE1 3.69Å; V85-Y108 HydrophobicContact CG1-CE2 3.77Å; Q104-Y108 HydrophobicContact CG-CD2 3.74Å; Q104-Y108 HydrophobicContact CG-CE2 3.57Å; Q104-Y108 VanDerWaalsContact O-CD2 3.26Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Q104-Y108 PolarHBondContact O-N 3.22Å; Q104-Y108 VanDerWaalsContact O-N 3.07Å; R105-Y108 PolarHBondContact O-N 3.22Å; Q106-Y108 PolarHBondContact O-N 2.99Å; Y108-M110 VanDerWaalsContact C-N 3.34Å; Y108-M110 PolarHBondContact O-N 3Å; Y108-A111 PolarHBondContact O-N 3.09Å; Y108-N112 VanDerWaalsContact O-CG 3.27Å; Y108-N112 PolarHBondContact O-N 3.46Å; Y108-N112 PolarHBondContact O-ND2 2.87Å
109A94.4Very high89.4Confident58 Ų5867.4 Ų67.448%0.47935%0.353SS..Hα-helixtrans-62.3-42.117700000112R105 Q106 T113R105-A109 WeakPolarHBondContact O-CB 3.46Å; R105-A109 PolarHBondContact O-N 3.42Å; R105-A109 VanDerWaalsContact O-N 3.08Å; Q106-A109 PolarHBondContact O-N 3.08Å; A109-T113 PolarHBondContact O-OG1 3.1Å
110M93.8Very high89.2Confident44 Ų4463.2 Ų63.222%0.21734%0.344CS..Hα-helixtrans-72.2-41.1178-64.7179.882.900112Q106 L107 Y108 N112 T113 L114 T120 Q122 L123 V126Q106-M110 WeakPolarHBondContact O-CB 3.3Å; Q106-M110 VanDerWaalsContact O-CG 3.23Å; Q106-M110 WeakPolarHBondContact O-CG 3.39Å; Q106-M110 PolarHBondContact O-N 3.34Å; L107-M110 PolarHBondContact O-N 3.05Å; Y108-M110 VanDerWaalsContact C-N 3.34Å; Y108-M110 PolarHBondContact O-N 3Å; M110-N112 VanDerWaalsContact C-N 3.25Å; M110-N112 PolarHBondContact O-N 3.36Å; M110-T113 PolarHBondContact O-N 2.84Å; M110-T113 VanDerWaalsContact O-N 3.08Å; M110-T113 PolarHBondContact O-OG1 3.23Å; M110-L114 WeakPolarHBondContact O-CG 3.35Å; M110-L114 PolarHBondContact O-N 3.43Å; M110-T120 WeakPolarHBondContact CE-OG1 3.48Å; M110-Q122 HydrophobicContact CE-CB 3.9Å; M110-L123 HydrophobicContact CB-CD1 4.05Å; M110-L123 HydrophobicContact CE-CB 3.67Å; M110-L123 HydrophobicContact CE-CD1 4.5Å; M110-L123 HydrophobicContact SD-CB 4.31Å; M110-L123 HydrophobicContact SD-CD1 4.2Å; M110-V126 HydrophobicContact SD-CG2 4.45Å
111A91.6Very high89Confident20 Ų2067.7 Ų67.717%0.16537%0.372CS..Hα-helixtrans-59.1-37.1178.200000112.6L78 L82 L107 Y108 T113L78-A111 HydrophobicContact CD1-CB 4.36Å; L78-A111 HydrophobicContact CD2-CB 4.41Å; L82-A111 HydrophobicContact CD1-CB 3.98Å; L82-A111 HydrophobicContact CD2-CB 4.2Å; L107-A111 VanDerWaalsContact O-CB 3.25Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.16Å; Y108-A111 PolarHBondContact O-N 3.09Å; A111-T113 VanDerWaalsContact C-N 3.27Å; A111-T113 PolarHBondContact O-N 2.87Å
112N86.1Confident89Confident140 Ų14071.9 Ų71.975%0.74939%0.386SS*.THydrogen-bonded Turntrans-75.2-11.5179.2-69.8-22.4000114.2Y108 M110Y108-N112 VanDerWaalsContact O-CG 3.27Å; Y108-N112 PolarHBondContact O-N 3.46Å; Y108-N112 PolarHBondContact O-ND2 2.87Å; M110-N112 VanDerWaalsContact C-N 3.25Å; M110-N112 PolarHBondContact O-N 3.36Å
113T84.1Confident88.9Confident106 Ų10668.3 Ų68.365%0.6537%0.369SS*.THydrogen-bonded Turntrans-109.6-3.8-177.651.40000113.3A109 M110 A111 E115A109-T113 PolarHBondContact O-OG1 3.1Å; M110-T113 PolarHBondContact O-N 2.84Å; M110-T113 VanDerWaalsContact O-N 3.08Å; M110-T113 PolarHBondContact O-OG1 3.23Å; A111-T113 VanDerWaalsContact C-N 3.27Å; A111-T113 PolarHBondContact O-N 2.87Å; T113-E115 PolarHBondContact O-N 2.94Å
114L78.4Confident88.8Confident48 Ų4868.3 Ų68.325%0.25137%0.369SS..  trans-78.9105.2177.6-75.3158.5000110.4L78 M110 G118 L123L78-L114 HydrophobicContact CD2-CD1 3.5Å; M110-L114 WeakPolarHBondContact O-CG 3.35Å; M110-L114 PolarHBondContact O-N 3.43Å; L114-G118 WeakPolarHBondContact CD2-O 3.47Å; L114-L123 HydrophobicContact CD1-CD2 3.54Å
115E69.5Low88.8Confident182 Ų18270.3 Ų70.385%0.8538%0.379SS*.SBendtrans-80.2-33.8174.9-65-178.7169.500112.1T113T113-E115 PolarHBondContact O-N 2.94Å
116D67.9Low88.9Confident146 Ų14663.5 Ų63.578%0.78135%0.353SS*.SBendtrans-112.814.8-165.2-69-29000115.8G118D116-G118 PolarHBondContact O-N 2.96Å
117G69.3Low89Confident26 Ų2660.1 Ų60.127%0.26834%0.338SS..  trans60.121.4-179.500000114.2Y74Y74-G117 VanDerWaalsContact CB-O 3.22Å; Y74-G117 WeakPolarHBondContact CB-O 3.34Å
118G85Confident89Confident31 Ų3160.9 Ų60.932%0.3234%0.341SS..  trans-74.8167.8176.700000113.2L114 D116L114-G118 WeakPolarHBondContact CD2-O 3.47Å; D116-G118 PolarHBondContact O-N 2.96Å
119M91.7Very high89.1Confident23 Ų2360.1 Ų60.111%0.11334%0.338CS..  trans-123.4103.8173.7-173.667.668.100109.1Y74 T77 L123 A124 I127 T163Y74-M119 HydrophobicContact CD1-CB 3.71Å; Y74-M119 HydrophobicContact CD1-CE 4.32Å; Y74-M119 HydrophobicContact CD1-CG 4.34Å; Y74-M119 HydrophobicContact CD2-CB 3.54Å; Y74-M119 HydrophobicContact CE1-CB 3.85Å; Y74-M119 HydrophobicContact CE1-CG 4.4Å; Y74-M119 HydrophobicContact CE2-CB 3.68Å; Y74-M119 HydrophobicContact CG-CB 3.55Å; T77-M119 HydrophobicContact CG2-CE 4.21Å; M119-L123 HydrophobicContact SD-CB 4.17Å; M119-L123 HydrophobicContact SD-CD2 3.66Å; M119-L123 HydrophobicContact SD-CG 3.71Å; M119-A124 HydrophobicContact CG-CB 4.2Å; M119-A124 HydrophobicContact SD-CB 4.39Å; M119-I127 HydrophobicContact CE-CD1 3.96Å; M119-I127 HydrophobicContact SD-CD1 3.91Å; M119-T163 HydrophobicContact CG-CG2 3.56Å
120T92.3Very high89.3Confident53 Ų5357.4 Ų57.433%0.32532%0.315SS..  trans-76.2152.5176.465.70000110.4M110 Q122 L123 A124M110-T120 WeakPolarHBondContact CE-OG1 3.48Å; T120-Q122 PolarHBondContact O-N 2.81Å; T120-L123 PolarHBondContact O-N 2.84Å; T120-L123 VanDerWaalsContact O-N 3.09Å; T120-L123 VanDerWaalsContact OG1-CB 3.31Å; T120-L123 WeakPolarHBondContact OG1-CB 3.29Å; T120-L123 PolarHBondContact OG1-N 2.8Å; T120-A124 PolarHBondContact O-N 2.88Å
121P92.5Very high89.5Confident94 Ų9456 Ų5661%0.6131%0.307SS*.Hα-helixtrans-55.1-38.2175.6-27.135.5000112.8A124 E125P121-A124 PolarHBondContact O-N 3.04Å; P121-E125 WeakPolarHBondContact O-CG 3.4Å; P121-E125 PolarHBondContact O-N 2.84Å
122Q94.3Very high89.8Confident124 Ų12463.6 Ų63.658%0.57933%0.332SS*.Hα-helixtrans-65.2-42.4177.8-64.377.89.800111.7M110 T120 E125 V126M110-Q122 HydrophobicContact CE-CB 3.9Å; T120-Q122 PolarHBondContact O-N 2.81Å; Q122-E125 PolarHBondContact O-N 3.2Å; Q122-V126 WeakPolarHBondContact O-CG2 3.46Å; Q122-V126 PolarHBondContact O-N 2.83Å
123L95.4Very high90.4Very high0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-64.7-45.8177.6179.760.2000110.4L78 L107 M110 L114 M119 T120 E125 V126 I127L78-L123 HydrophobicContact CD1-CD1 4.33Å; L78-L123 HydrophobicContact CD1-CD2 4.45Å; L107-L123 HydrophobicContact CD1-CD1 3.8Å; M110-L123 HydrophobicContact CB-CD1 4.05Å; M110-L123 HydrophobicContact CE-CB 3.67Å; M110-L123 HydrophobicContact CE-CD1 4.5Å; M110-L123 HydrophobicContact SD-CB 4.31Å; M110-L123 HydrophobicContact SD-CD1 4.2Å; L114-L123 HydrophobicContact CD1-CD2 3.54Å; M119-L123 HydrophobicContact SD-CB 4.17Å; M119-L123 HydrophobicContact SD-CD2 3.66Å; M119-L123 HydrophobicContact SD-CG 3.71Å; T120-L123 PolarHBondContact O-N 2.84Å; T120-L123 VanDerWaalsContact O-N 3.09Å; T120-L123 VanDerWaalsContact OG1-CB 3.31Å; T120-L123 WeakPolarHBondContact OG1-CB 3.29Å; T120-L123 PolarHBondContact OG1-N 2.8Å; L123-E125 VanDerWaalsContact C-N 3.29Å; L123-E125 PolarHBondContact O-N 3.27Å; L123-V126 PolarHBondContact O-N 3.18Å; L123-V126 VanDerWaalsContact O-N 3.15Å; L123-I127 HydrophobicContact CD1-CD1 4.07Å; L123-I127 HydrophobicContact CD1-CG1 4.21Å; L123-I127 HydrophobicContact CG-CD1 3.9Å; L123-I127 HydrophobicContact CG-CG1 4.4Å; L123-I127 VanDerWaalsContact O-CG1 3.31Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 2.97Å
124A96.3Very high91.1Very high1 Ų155.7 Ų55.71%0.00829%0.289CS..Hα-helixtrans-54.8-45.8176.300000111.5M119 T120 P121 I127 K128 T163M119-A124 HydrophobicContact CG-CB 4.2Å; M119-A124 HydrophobicContact SD-CB 4.39Å; T120-A124 PolarHBondContact O-N 2.88Å; P121-A124 PolarHBondContact O-N 3.04Å; A124-I127 PolarHBondContact O-N 3.16Å; A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 VanDerWaalsContact O-CG 3.28Å; A124-K128 WeakPolarHBondContact O-CG 3.31Å; A124-K128 PolarHBondContact O-N 2.57Å; A124-T163 HydrophobicContact CB-CG2 3.66Å
125E97Very high92.1Very high86 Ų8653.5 Ų53.540%0.40228%0.279SS..Hα-helixtrans-66.6-36.2178.4-71.5-54.4121.800113.4P121 Q122 L123 K128 R129P121-E125 WeakPolarHBondContact O-CG 3.4Å; P121-E125 PolarHBondContact O-N 2.84Å; Q122-E125 PolarHBondContact O-N 3.2Å; L123-E125 VanDerWaalsContact C-N 3.29Å; L123-E125 PolarHBondContact O-N 3.27Å; E125-K128 WeakPolarHBondContact OE1-CD 3.45Å; E125-K128 IonicContact OE1-NZ 2.76Å; E125-K128 PolarHBondContact OE1-NZ 2.83Å; E125-R129 WeakPolarHBondContact O-CG 3.14Å; E125-R129 PolarHBondContact O-N 3.43Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 PolarHBondContact O-NH1 3.43Å
126V97.8Very high93.4Very high3 Ų344.9 Ų44.92%0.01824%0.238CC..Hα-helixtrans-63.2-48.8172.6169.20000110.4D103 Q106 L107 M110 Q122 L123 K128 R129 L130D103-V126 HydrophobicContact CB-CG1 4.11Å; D103-V126 VanDerWaalsContact O-CG1 3.27Å; D103-V126 WeakPolarHBondContact O-CG1 3.27Å; Q106-V126 HydrophobicContact CB-CG1 4.47Å; Q106-V126 HydrophobicContact CB-CG2 4.23Å; L107-V126 HydrophobicContact CB-CG1 3.98Å; M110-V126 HydrophobicContact SD-CG2 4.45Å; Q122-V126 WeakPolarHBondContact O-CG2 3.46Å; Q122-V126 PolarHBondContact O-N 2.83Å; L123-V126 PolarHBondContact O-N 3.18Å; L123-V126 VanDerWaalsContact O-N 3.15Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.23Å; V126-R129 PolarHBondContact O-N 3.42Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 WeakPolarHBondContact O-CG 3.4Å; V126-L130 PolarHBondContact O-N 3.43Å
127I98.1Very high94.9Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-61.8-42.5179.2-63.2176000110.6L78 I81 L107 M119 L123 A124 R129 L130 W131 L156 L159L78-I127 HydrophobicContact CD1-CD1 4.29Å; I81-I127 HydrophobicContact CB-CG2 4.17Å; I81-I127 HydrophobicContact CG1-CG2 4.14Å; I81-I127 HydrophobicContact CG2-CD1 4.01Å; I81-I127 HydrophobicContact CG2-CG1 4Å; I81-I127 HydrophobicContact CG2-CG2 4.11Å; L107-I127 HydrophobicContact CD1-CD1 4.4Å; L107-I127 HydrophobicContact CD1-CG1 3.89Å; M119-I127 HydrophobicContact CE-CD1 3.96Å; M119-I127 HydrophobicContact SD-CD1 3.91Å; L123-I127 HydrophobicContact CD1-CD1 4.07Å; L123-I127 HydrophobicContact CD1-CG1 4.21Å; L123-I127 HydrophobicContact CG-CD1 3.9Å; L123-I127 HydrophobicContact CG-CG1 4.4Å; L123-I127 VanDerWaalsContact O-CG1 3.31Å; L123-I127 WeakPolarHBondContact O-CG1 3.42Å; L123-I127 PolarHBondContact O-N 2.97Å; A124-I127 PolarHBondContact O-N 3.16Å; I127-R129 PolarHBondContact O-N 3.32Å; I127-L130 PolarHBondContact O-N 3.08Å; I127-W131 VanDerWaalsContact O-CB 3.29Å; I127-W131 WeakPolarHBondContact O-CB 3.38Å; I127-W131 PolarHBondContact O-N 2.95Å; I127-L156 HydrophobicContact CG2-CD2 3.67Å; I127-L159 HydrophobicContact CB-CD1 4.38Å; I127-L159 HydrophobicContact CG2-CD1 3.67Å; I127-L159 HydrophobicContact CG2-CD2 4.08Å
128K97.9Very high96.3Very high16 Ų1641.4 Ų41.47%0.0722%0.217CC..Hα-helixtrans-60.4-42.7176.9-75.5175.4-161.5169.70112.3A124 E125 V126 R132 L159 D160A124-K128 WeakPolarHBondContact O-CB 3.3Å; A124-K128 VanDerWaalsContact O-CG 3.28Å; A124-K128 WeakPolarHBondContact O-CG 3.31Å; A124-K128 PolarHBondContact O-N 2.57Å; E125-K128 WeakPolarHBondContact OE1-CD 3.45Å; E125-K128 IonicContact OE1-NZ 2.76Å; E125-K128 PolarHBondContact OE1-NZ 2.83Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 3.23Å; K128-R132 WeakPolarHBondContact O-CB 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.25Å; K128-R132 WeakPolarHBondContact O-CG 3.39Å; K128-R132 PolarHBondContact O-N 3.43Å; K128-R132 VanDerWaalsContact O-N 3.1Å; K128-L159 HydrophobicContact CB-CD1 4.37Å; K128-L159 HydrophobicContact CD-CB 4.3Å; K128-L159 HydrophobicContact CG-CB 3.72Å; K128-L159 HydrophobicContact CG-CD1 3.62Å; K128-L159 HydrophobicContact CG-CG 4.27Å; K128-D160 WeakPolarHBondContact CE-OD1 3.46Å; K128-D160 IonicContact NZ-OD1 2.67Å; K128-D160 PolarHBondContact NZ-OD1 3.3Å
129R98.1Very high96.9Very high62 Ų6239.9 Ų39.923%0.23420%0.202CC..Hα-helixtrans-66.2-44.5178.3-73.3-169.2-56.9-84.43.9111.7D103 E125 V126 I127 R132 D133D103-R129 VanDerWaalsContact CG-NE 3.31Å; D103-R129 IonicContact OD1-CZ 2.74Å; D103-R129 VanDerWaalsContact OD1-CZ 3.3Å; D103-R129 IonicContact OD1-NE 3.22Å; D103-R129 PolarHBondContact OD1-NE 2.91Å; D103-R129 IonicContact OD1-NH2 2.65Å; D103-R129 PolarHBondContact OD1-NH2 2.99Å; D103-R129 VanDerWaalsContact OD2-CB 3.29Å; D103-R129 WeakPolarHBondContact OD2-CB 2.96Å; D103-R129 WeakPolarHBondContact OD2-CD 3.31Å; D103-R129 IonicContact OD2-CZ 3.96Å; D103-R129 IonicContact OD2-NE 3.62Å; D103-R129 PolarHBondContact OD2-NE 3.12Å; D103-R129 IonicContact OD2-NH2 3.13Å; E125-R129 WeakPolarHBondContact O-CG 3.14Å; E125-R129 PolarHBondContact O-N 3.43Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 PolarHBondContact O-NH1 3.43Å; V126-R129 PolarHBondContact O-N 3.42Å; I127-R129 PolarHBondContact O-N 3.32Å; R129-R132 PolarHBondContact O-N 3.31Å; R129-D133 PolarHBondContact O-N 3.42Å
130L98.5Very high97.2Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-60.7-48.9174.4-72170.5000111.2I81 V85 Y95 S100 D103 L107 V126 I127 R132 D133 I136I81-L130 HydrophobicContact CD1-CB 4.19Å; I81-L130 HydrophobicContact CG1-CB 4.49Å; I81-L130 HydrophobicContact CG1-CD1 4.48Å; V85-L130 HydrophobicContact CG2-CD1 4.38Å; Y95-L130 HydrophobicContact CE1-CD2 4.08Å; S100-L130 WeakPolarHBondContact O-CD2 3.34Å; D103-L130 HydrophobicContact CB-CD1 4.33Å; D103-L130 HydrophobicContact CB-CD2 3.8Å; D103-L130 HydrophobicContact CB-CG 3.81Å; L107-L130 HydrophobicContact CB-CD1 4.03Å; L107-L130 HydrophobicContact CD2-CD1 3.68Å; L107-L130 HydrophobicContact CG-CD1 4.35Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 WeakPolarHBondContact O-CG 3.4Å; V126-L130 PolarHBondContact O-N 3.43Å; I127-L130 PolarHBondContact O-N 3.08Å; L130-R132 PolarHBondContact O-N 3.48Å; L130-D133 VanDerWaalsContact O-CB 3.23Å; L130-D133 WeakPolarHBondContact O-CB 3.35Å; L130-D133 PolarHBondContact O-N 3.24Å; L130-I136 VanDerWaalsContact O-CB 3.23Å; L130-I136 WeakPolarHBondContact O-CB 3.36Å; L130-I136 VanDerWaalsContact O-CG1 3.27Å; L130-I136 WeakPolarHBondContact O-CG1 3.42Å; L130-I136 WeakPolarHBondContact O-CG2 3.41Å
131W98.4Very high97.4Very high15 Ų1545.7 Ų45.76%0.05722%0.224CC..Hα-helixtrans-60.4-31.2-179.3-173.8-124.2000112.9I84 I127 D133 I136 Q137 F140 L156 N157I84-W131 HydrophobicContact CD1-CE3 4.36Å; I84-W131 HydrophobicContact CD1-CZ3 3.75Å; I127-W131 VanDerWaalsContact O-CB 3.29Å; I127-W131 WeakPolarHBondContact O-CB 3.38Å; I127-W131 PolarHBondContact O-N 2.95Å; W131-D133 VanDerWaalsContact C-N 3.31Å; W131-I136 HydrophobicContact CE3-CG2 3.75Å; W131-I136 HydrophobicContact CZ3-CG2 4.19Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.31Å; W131-Q137 PolarHBondContact O-NE2 3.33Å; W131-F140 HydrophobicContact CH2-CB 3.99Å; W131-F140 AromaticContact CH2-CD1 3.7Å; W131-F140 HydrophobicContact CH2-CD1 3.7Å; W131-F140 AromaticContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CE1 4.12Å; W131-F140 HydrophobicContact CH2-CE2 4.13Å; W131-F140 AromaticContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CG 3.49Å; W131-F140 VanDerWaalsContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CZ 4.34Å; W131-F140 HydrophobicContact CZ3-CB 3.91Å; W131-F140 HydrophobicContact CZ3-CD1 4.47Å; W131-F140 HydrophobicContact CZ3-CD2 4.04Å; W131-F140 AromaticContact CZ3-CG 3.87Å; W131-F140 HydrophobicContact CZ3-CG 3.87Å; W131-L156 HydrophobicContact CD2-CB 3.64Å; W131-L156 HydrophobicContact CD2-CD1 4.02Å; W131-L156 HydrophobicContact CD2-CG 4.35Å; W131-L156 VanDerWaalsContact CE2-CB 3.5Å; W131-L156 HydrophobicContact CE3-CB 4.23Å; W131-L156 HydrophobicContact CE3-CD1 3.71Å; W131-L156 HydrophobicContact CG-CB 3.89Å; W131-L156 HydrophobicContact CH2-CD1 4.13Å; W131-L156 HydrophobicContact CZ2-CB 3.97Å; W131-L156 HydrophobicContact CZ2-CD1 4.41Å; W131-L156 HydrophobicContact CZ3-CD1 3.79Å; W131-L156 PolarHBondContact NE1-O 2.96Å; W131-N157 WeakPolarHBondContact CZ2-OD1 3.48Å; W131-N157 PolarHBondContact NE1-OD1 3.5Å
132R98.1Very high97.6Very high180 Ų18045.2 Ų45.268%0.67921%0.21SC*.THydrogen-bonded Turntrans-79.5-7.9175.4-70.1173.1-176.1-1803.6114.1K128 R129 L130 P134K128-R132 WeakPolarHBondContact O-CB 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.25Å; K128-R132 WeakPolarHBondContact O-CG 3.39Å; K128-R132 PolarHBondContact O-N 3.43Å; K128-R132 VanDerWaalsContact O-N 3.1Å; R129-R132 PolarHBondContact O-N 3.31Å; L130-R132 PolarHBondContact O-N 3.48Å; R132-P134 WeakPolarHBondContact O-CD 3.33Å
133D98.5Very high97.8Very high3 Ų340.4 Ų40.42%0.01619%0.191CC..  trans-69.8127177.9-170.8-76.9000110.4V96 N97 S100 R129 L130 W131 G135 I136 Q137V96-D133 PolarHBondContact N-OD1 3.05Å; V96-D133 PolarHBondContact N-OD2 3.36Å; N97-D133 VanDerWaalsContact CB-OD2 3.26Å; N97-D133 WeakPolarHBondContact CB-OD2 3.43Å; N97-D133 PolarHBondContact N-OD2 2.92Å; S100-D133 WeakPolarHBondContact CB-OD2 3.38Å; S100-D133 PolarHBondContact OG-OD2 2.87Å; R129-D133 PolarHBondContact O-N 3.42Å; L130-D133 VanDerWaalsContact O-CB 3.23Å; L130-D133 WeakPolarHBondContact O-CB 3.35Å; L130-D133 PolarHBondContact O-N 3.24Å; W131-D133 VanDerWaalsContact C-N 3.31Å; D133-G135 PolarHBondContact O-N 3.19Å; D133-G135 VanDerWaalsContact OD1-CA 3.3Å; D133-G135 WeakPolarHBondContact OD1-CA 3.23Å; D133-G135 PolarHBondContact OD1-N 2.76Å; D133-I136 HydrophobicContact CB-CB 4.11Å; D133-I136 HydrophobicContact CB-CG1 4.02Å; D133-I136 WeakPolarHBondContact O-CB 3.39Å; D133-I136 PolarHBondContact O-N 3.11Å; D133-I136 PolarHBondContact OD1-N 2.68Å; D133-Q137 PolarHBondContact O-N 2.86Å
134P98.4Very high97.8Very high76 Ų7641.9 Ų41.949%0.49420%0.202SC..Hα-helixtrans-58.9-30178.3-26.333.3000114.7V96 R132 Q137 A138V96-P134 HydrophobicContact CB-CB 4.14Å; V96-P134 HydrophobicContact CB-CG 4.17Å; V96-P134 HydrophobicContact CG1-CB 4.45Å; V96-P134 HydrophobicContact CG1-CG 4.19Å; V96-P134 HydrophobicContact CG2-CB 3.94Å; R132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-Q137 PolarHBondContact O-N 3.25Å; P134-A138 WeakPolarHBondContact O-CB 3.48Å; P134-A138 PolarHBondContact O-N 2.83Å
135G98.4Very high97.7Very high3 Ų346.9 Ų46.93%0.03123%0.225CC..Hα-helixtrans-69.2-38.7174.100000112.3I93 D133 A138 C139I93-G135 WeakPolarHBondContact CG2-O 3.29Å; D133-G135 PolarHBondContact O-N 3.19Å; D133-G135 VanDerWaalsContact OD1-CA 3.3Å; D133-G135 WeakPolarHBondContact OD1-CA 3.23Å; D133-G135 PolarHBondContact OD1-N 2.76Å; G135-A138 PolarHBondContact O-N 2.93Å; G135-C139 WeakPolarHBondContact O-CB 3.36Å; G135-C139 PolarHBondContact O-N 3.01Å
136I98.6Very high97.8Very high0 Ų044.2 Ų44.20%021%0.212CC..Hα-helixtrans-63.4-43.5171.3-73.3-84.4000110.5I81 I84 V85 M88 Y95 L130 W131 D133 C139 F140I81-I136 HydrophobicContact CD1-CD1 4.5Å; I81-I136 HydrophobicContact CD1-CG2 4.39Å; I84-I136 HydrophobicContact CG2-CD1 4.06Å; I84-I136 HydrophobicContact CG2-CG2 4.07Å; V85-I136 HydrophobicContact CG2-CD1 3.76Å; M88-I136 HydrophobicContact CE-CG1 4.43Å; M88-I136 HydrophobicContact CG-CD1 4.22Å; M88-I136 HydrophobicContact SD-CB 4.43Å; M88-I136 HydrophobicContact SD-CD1 3.18Å; M88-I136 WeakPolarHBondContact SD-CD1 3.27Å; M88-I136 HydrophobicContact SD-CG1 3.54Å; M88-I136 VanDerWaalsContact SD-CG1 3.54Å; Y95-I136 HydrophobicContact CD1-CG1 4.36Å; Y95-I136 HydrophobicContact CE1-CD1 4.03Å; Y95-I136 HydrophobicContact CE1-CG1 3.88Å; L130-I136 VanDerWaalsContact O-CB 3.23Å; L130-I136 WeakPolarHBondContact O-CB 3.36Å; L130-I136 VanDerWaalsContact O-CG1 3.27Å; L130-I136 WeakPolarHBondContact O-CG1 3.42Å; L130-I136 WeakPolarHBondContact O-CG2 3.41Å; W131-I136 HydrophobicContact CE3-CG2 3.75Å; W131-I136 HydrophobicContact CZ3-CG2 4.19Å; D133-I136 HydrophobicContact CB-CB 4.11Å; D133-I136 HydrophobicContact CB-CG1 4.02Å; D133-I136 WeakPolarHBondContact O-CB 3.39Å; D133-I136 PolarHBondContact O-N 3.11Å; D133-I136 PolarHBondContact OD1-N 2.68Å; I136-C139 WeakPolarHBondContact O-CB 3.46Å; I136-C139 PolarHBondContact O-N 3.22Å; I136-F140 PolarHBondContact O-N 3.38Å
137Q98.5Very high97.7Very high61 Ų6146.9 Ų46.929%0.28522%0.224SC..Hα-helixtrans-62.8-44.2176.3-69.8-62.7-52.200112W131 D133 P134 C139 F140 E141W131-Q137 VanDerWaalsContact CE3-NE2 3.31Å; W131-Q137 PolarHBondContact O-NE2 3.33Å; D133-Q137 PolarHBondContact O-N 2.86Å; P134-Q137 PolarHBondContact O-N 3.25Å; Q137-C139 VanDerWaalsContact C-N 3.28Å; Q137-C139 PolarHBondContact O-N 2.96Å; Q137-F140 WeakPolarHBondContact O-CB 3.35Å; Q137-F140 PolarHBondContact O-N 2.85Å; Q137-F140 VanDerWaalsContact O-N 3.11Å; Q137-E141 WeakPolarHBondContact O-CG 3.49Å; Q137-E141 PolarHBondContact O-N 3.24Å
138A98.2Very high97.7Very high38 Ų3847.3 Ų47.331%0.31423%0.226SC..Hα-helixtrans-62-35.3174.500000112.5P134 G135P134-A138 WeakPolarHBondContact O-CB 3.48Å; P134-A138 PolarHBondContact O-N 2.83Å; G135-A138 PolarHBondContact O-N 2.93Å
139C98.4Very high97.4Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-69.2-37.8172.9-171.90000112.2I84 M88 I93 G135 I136 Q137 E141 R142 Y146I84-C139 HydrophobicContact CG2-CB 4.08Å; M88-C139 HydrophobicContact CG-CB 3.7Å; M88-C139 PolarHBondContact N-SG 2.91Å; I93-C139 HydrophobicContact CD1-CB 3.69Å; G135-C139 WeakPolarHBondContact O-CB 3.36Å; G135-C139 PolarHBondContact O-N 3.01Å; I136-C139 WeakPolarHBondContact O-CB 3.46Å; I136-C139 PolarHBondContact O-N 3.22Å; Q137-C139 VanDerWaalsContact C-N 3.28Å; Q137-C139 PolarHBondContact O-N 2.96Å; C139-E141 VanDerWaalsContact C-N 3.35Å; C139-R142 CarbonylContact O-C 3.58Å; C139-R142 PolarHBondContact O-N 2.97Å; C139-R142 VanDerWaalsContact O-N 3.17Å; C139-Y146 WeakPolarHBondContact O-CE1 3.46Å; C139-Y146 PolarHBondContact O-OH 3.25Å
140F98.1Very high97.2Very high53 Ų5348.1 Ų48.123%0.23224%0.236CC..Hα-helixtrans-64.8-36.1174.9176.9-104.9000112.7I84 W131 I136 Q137 R142 A143 Y146 L148 A152 A153I84-F140 HydrophobicContact CD1-CD2 4.06Å; W131-F140 HydrophobicContact CH2-CB 3.99Å; W131-F140 AromaticContact CH2-CD1 3.7Å; W131-F140 HydrophobicContact CH2-CD1 3.7Å; W131-F140 AromaticContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CD2 3.7Å; W131-F140 HydrophobicContact CH2-CE1 4.12Å; W131-F140 HydrophobicContact CH2-CE2 4.13Å; W131-F140 AromaticContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CG 3.49Å; W131-F140 VanDerWaalsContact CH2-CG 3.49Å; W131-F140 HydrophobicContact CH2-CZ 4.34Å; W131-F140 HydrophobicContact CZ3-CB 3.91Å; W131-F140 HydrophobicContact CZ3-CD1 4.47Å; W131-F140 HydrophobicContact CZ3-CD2 4.04Å; W131-F140 AromaticContact CZ3-CG 3.87Å; W131-F140 HydrophobicContact CZ3-CG 3.87Å; I136-F140 PolarHBondContact O-N 3.38Å; Q137-F140 WeakPolarHBondContact O-CB 3.35Å; Q137-F140 PolarHBondContact O-N 2.85Å; Q137-F140 VanDerWaalsContact O-N 3.11Å; F140-R142 PolarHBondContact O-N 3.43Å; F140-R142 VanDerWaalsContact O-N 3.12Å; F140-A143 WeakPolarHBondContact O-CB 3.34Å; F140-A143 PolarHBondContact O-N 2.79Å; F140-Y146 WeakPolarHBondContact CA-OH 3.46Å; F140-L148 HydrophobicContact CD2-CD2 3.5Å; F140-L148 HydrophobicContact CE2-CD2 3.55Å; F140-A152 HydrophobicContact CE2-CB 4.29Å; F140-A153 HydrophobicContact CE1-CB 4.29Å; F140-A153 HydrophobicContact CE2-CB 4.45Å; F140-A153 HydrophobicContact CZ-CB 3.71Å
141E96.4Very high97Very high144 Ų14448.5 Ų48.567%0.67324%0.238SC*.Hα-helixtrans-61-20.8174-71.5178.4169.700113.3Q137 C139Q137-E141 WeakPolarHBondContact O-CG 3.49Å; Q137-E141 PolarHBondContact O-N 3.24Å; C139-E141 VanDerWaalsContact C-N 3.35Å
142R96.7Very high97Very high84 Ų8447.8 Ų47.832%0.31724%0.236SC..THydrogen-bonded Turntrans-100.121.3176.4-64.3174.766.6-174.1-0112.8L91 C139 F140 S144 E145 Y146L91-R142 HydrophobicContact CD1-CB 4.2Å; C139-R142 CarbonylContact O-C 3.58Å; C139-R142 PolarHBondContact O-N 2.97Å; C139-R142 VanDerWaalsContact O-N 3.17Å; F140-R142 PolarHBondContact O-N 3.43Å; F140-R142 VanDerWaalsContact O-N 3.12Å; R142-S144 PolarHBondContact O-N 2.89Å; R142-E145 WeakPolarHBondContact CB-OE1 2.95Å; R142-E145 WeakPolarHBondContact CG-OE1 3.13Å; R142-E145 IonicContact CZ-OE1 3.51Å; R142-E145 IonicContact CZ-OE2 3.32Å; R142-E145 IonicContact NE-OE1 3.5Å; R142-E145 PolarHBondContact NE-OE1 3.33Å; R142-E145 IonicContact NE-OE2 3.34Å; R142-E145 PolarHBondContact NE-OE2 2.97Å; R142-E145 IonicContact NH2-OE1 2.71Å; R142-E145 PolarHBondContact NH2-OE1 3.07Å; R142-E145 IonicContact NH2-OE2 3.17Å; R142-E145 PolarHBondContact NH2-OE2 2.71Å; R142-E145 WeakPolarHBondContact O-CB 3.36Å; R142-E145 PolarHBondContact O-N 3.24Å; R142-Y146 WeakPolarHBondContact O-CE1 3.23Å
143A96.9Very high96.9Very high23 Ų2340.5 Ų40.519%0.1921%0.214CC..G310 helixtrans-60.4-11.4-176.300000115.6F140 E145 L148F140-A143 WeakPolarHBondContact O-CB 3.34Å; F140-A143 PolarHBondContact O-N 2.79Å; A143-E145 VanDerWaalsContact C-N 3.32Å; A143-L148 HydrophobicContact CB-CB 4.29Å; A143-L148 HydrophobicContact CB-CD2 3.67Å
144S95.5Very high96.9Very high32 Ų3242.9 Ų42.922%0.22422%0.224CC..G310 helixtrans-75.9-18.9170.649.30000113.5R142 Y146 D231R142-S144 PolarHBondContact O-N 2.89Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; S144-D231 VanDerWaalsContact CB-OD2 3.24Å; S144-D231 WeakPolarHBondContact CB-OD2 3.49Å; S144-D231 PolarHBondContact OG-OD2 3.38Å
145E96.1Very high96.9Very high106 Ų10639.3 Ų39.350%0.49520%0.2SC..G310 helixtrans-84.5-4.6-178.9-61.4179.1-12600113.2L91 R142 A143L91-E145 HydrophobicContact CD2-CB 4.2Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.42Å; R142-E145 WeakPolarHBondContact CB-OE1 2.95Å; R142-E145 WeakPolarHBondContact CG-OE1 3.13Å; R142-E145 IonicContact CZ-OE1 3.51Å; R142-E145 IonicContact CZ-OE2 3.32Å; R142-E145 IonicContact NE-OE1 3.5Å; R142-E145 PolarHBondContact NE-OE1 3.33Å; R142-E145 IonicContact NE-OE2 3.34Å; R142-E145 PolarHBondContact NE-OE2 2.97Å; R142-E145 IonicContact NH2-OE1 2.71Å; R142-E145 PolarHBondContact NH2-OE1 3.07Å; R142-E145 IonicContact NH2-OE2 3.17Å; R142-E145 PolarHBondContact NH2-OE2 2.71Å; R142-E145 WeakPolarHBondContact O-CB 3.36Å; R142-E145 PolarHBondContact O-N 3.24Å; A143-E145 VanDerWaalsContact C-N 3.32Å
146Y97.3Very high96.9Very high29 Ų2939.3 Ų39.311%0.11420%0.199CC..SBendtrans-149.5171.9177.359.2-84.1000111.2I84 A87 L91 C139 F140 R142 S144 L148I84-Y146 HydrophobicContact CG1-CE2 4.18Å; A87-Y146 HydrophobicContact CB-CD1 3.49Å; A87-Y146 VanDerWaalsContact CB-CD1 3.49Å; A87-Y146 HydrophobicContact CB-CD2 3.59Å; A87-Y146 HydrophobicContact CB-CE1 3.63Å; A87-Y146 HydrophobicContact CB-CE2 3.74Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å; L91-Y146 HydrophobicContact CD1-CD1 4.02Å; L91-Y146 HydrophobicContact CD1-CE1 4.05Å; C139-Y146 WeakPolarHBondContact O-CE1 3.46Å; C139-Y146 PolarHBondContact O-OH 3.25Å; F140-Y146 WeakPolarHBondContact CA-OH 3.46Å; R142-Y146 WeakPolarHBondContact O-CE1 3.23Å; S144-Y146 VanDerWaalsContact C-N 3.32Å; Y146-L148 HydrophobicContact CD2-CB 4.16Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.45Å; Y146-L148 HydrophobicContact CE2-CD2 4.15Å; Y146-L148 HydrophobicContact CE2-CG 4.37Å; Y146-L148 PolarHBondContact O-N 3.36Å
147Q96.6Very high96.9Very high59 Ų5944.6 Ų44.628%0.27623%0.228SC..  trans-84101-176.7-56.2-60.2-26.900110.5V233 V235Q147-V233 PolarHBondContact NE2-O 2.91Å; Q147-V235 HydrophobicContact CB-CG2 4.49Å; Q147-V235 HydrophobicContact CG-CG2 4.02Å; Q147-V235 VanDerWaalsContact OE1-CG2 3.22Å
148L97.2Very high96.8Very high9 Ų944.5 Ų44.55%0.04723%0.229CC..  trans-125139.7175-171.962.8000111.2S80 A83 I84 F140 A143 Y146 A152S80-L148 WeakPolarHBondContact O-CD1 3.44Å; A83-L148 HydrophobicContact CB-CD1 4.09Å; I84-L148 HydrophobicContact CD1-CD1 4.19Å; I84-L148 HydrophobicContact CD1-CD2 4.09Å; I84-L148 HydrophobicContact CG1-CD1 3.83Å; I84-L148 HydrophobicContact CG1-CD2 3.93Å; F140-L148 HydrophobicContact CD2-CD2 3.5Å; F140-L148 HydrophobicContact CE2-CD2 3.55Å; A143-L148 HydrophobicContact CB-CB 4.29Å; A143-L148 HydrophobicContact CB-CD2 3.67Å; Y146-L148 HydrophobicContact CD2-CB 4.16Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.45Å; Y146-L148 HydrophobicContact CE2-CD2 4.15Å; Y146-L148 HydrophobicContact CE2-CG 4.37Å; Y146-L148 PolarHBondContact O-N 3.36Å; L148-A152 HydrophobicContact CD1-CB 3.89Å; L148-A152 HydrophobicContact CD2-CB 3.97Å; L148-A152 HydrophobicContact CG-CB 3.88Å
149N93Very high96.8Very high34 Ų3443 Ų4318%0.18222%0.216CC..  trans-73.2136175.2-69.8-42.5000110.6S151 A152N149-S151 PolarHBondContact O-N 2.76Å; N149-A152 WeakPolarHBondContact O-CB 3.4Å; N149-A152 PolarHBondContact O-N 2.79Å
150D93.2Very high96.7Very high61 Ų6147.5 Ų47.533%0.32624%0.24SC..THydrogen-bonded Turntrans-55.1-27.9175.4-66.6-7.7000113.9A152 K270 I273D150-A152 PolarHBondContact O-N 3.49Å; D150-K270 WeakPolarHBondContact OD2-CD 3.48Å; D150-K270 WeakPolarHBondContact OD2-CE 3.43Å; D150-K270 IonicContact OD2-NZ 2.86Å; D150-K270 PolarHBondContact OD2-NZ 3.36Å; D150-I273 HydrophobicContact CB-CD1 3.6Å; D150-I273 VanDerWaalsContact CG-CD1 3.5Å; D150-I273 WeakPolarHBondContact OD2-CD1 3.28Å
151S94.8Very high96.6Very high8 Ų848.1 Ų48.16%0.05624%0.241CC..THydrogen-bonded Turntrans-72.5-5.1177.464.90000114N149 Y154 Y155 H176N149-S151 PolarHBondContact O-N 2.76Å; S151-Y154 PolarHBondContact O-N 2.68Å; S151-Y155 VanDerWaalsContact O-CD2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD2 3.21Å; S151-Y155 PolarHBondContact O-N 3.33Å; S151-H176 WeakPolarHBondContact CB-O 3.11Å
152A97.9Very high96.7Very high1 Ų141.2 Ų41.21%0.00821%0.209CC..Hα-helixtrans-55.9-54.5-176.400000111.6F140 L148 N149 D150 Y154 Y155 L156F140-A152 HydrophobicContact CE2-CB 4.29Å; L148-A152 HydrophobicContact CD1-CB 3.89Å; L148-A152 HydrophobicContact CD2-CB 3.97Å; L148-A152 HydrophobicContact CG-CB 3.88Å; N149-A152 WeakPolarHBondContact O-CB 3.4Å; N149-A152 PolarHBondContact O-N 2.79Å; D150-A152 PolarHBondContact O-N 3.49Å; A152-Y154 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.47Å; A152-Y155 PolarHBondContact O-N 3.31Å; A152-L156 HydrophobicContact CB-CD1 4.26Å; A152-L156 VanDerWaalsContact O-CB 3.23Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.32Å
153A97.2Very high96.6Very high27 Ų2738.9 Ų38.922%0.22320%0.204CC..Hα-helixtrans-60.7-41.6179.200000112.2F140 Y155 N157F140-A153 HydrophobicContact CE1-CB 4.29Å; F140-A153 HydrophobicContact CE2-CB 4.45Å; F140-A153 HydrophobicContact CZ-CB 3.71Å; A153-Y155 PolarHBondContact O-N 2.81Å; A153-N157 WeakPolarHBondContact O-CB 3.22Å; A153-N157 PolarHBondContact O-N 3.35Å; A153-N157 PolarHBondContact O-ND2 3.06Å; A153-N157 VanDerWaalsContact O-ND2 3.13Å
154Y98Very high96.5Very high53 Ų5340.1 Ų40.121%0.20821%0.214CC..Hα-helixtrans-56-48.8-179.4177.9-98.3000112.1S151 A152 Q172 D173 H176S151-Y154 PolarHBondContact O-N 2.68Å; A152-Y154 VanDerWaalsContact C-N 3.32Å; A152-Y154 PolarHBondContact O-N 3.47Å; Y154-Q172 HydrophobicContact CE2-CG 3.89Å; Y154-Q172 WeakPolarHBondContact OH-CB 3.37Å; Y154-Q172 WeakPolarHBondContact OH-CG 3.43Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D173 PolarHBondContact OH-N 2.76Å; Y154-D173 PolarHBondContact OH-OD1 2.92Å; Y154-D173 VanDerWaalsContact OH-OD1 3.1Å; Y154-H176 HydrophobicContact CD1-CB 3.66Å; Y154-H176 AromaticContact CD1-CG 3.59Å; Y154-H176 AromaticContact CD1-ND1 3.76Å; Y154-H176 AromaticContact CD2-CE1 3.47Å; Y154-H176 VanDerWaalsContact CD2-CE1 3.47Å; Y154-H176 WeakPolarHBondContact CD2-CE1 3.43Å; Y154-H176 AromaticContact CD2-ND1 3.74Å; Y154-H176 AromaticContact CD2-NE2 3.73Å; Y154-H176 HydrophobicContact CE1-CB 3.98Å; Y154-H176 AromaticContact CE1-CG 3.92Å; Y154-H176 AromaticContact CE1-ND1 3.68Å; Y154-H176 AromaticContact CE2-CE1 3.56Å; Y154-H176 AromaticContact CE2-ND1 3.67Å; Y154-H176 HydrophobicContact CG-CB 4.22Å; Y154-H176 AromaticContact CG-CD2 3.74Å; Y154-H176 AromaticContact CG-CE1 3.86Å; Y154-H176 AromaticContact CG-CG 3.68Å; Y154-H176 AromaticContact CG-ND1 3.79Å; Y154-H176 AromaticContact CG-NE2 3.88Å; Y154-H176 AromaticContact CZ-ND1 3.64Å
155Y98.3Very high96.4Very high0 Ų044.6 Ų44.60%025%0.245CC..Hα-helixtrans-80.7-40.8-179.4-64.5-56.4000113.6I73 N76 T77 S151 A152 A153 N157 D158 L159 I162 D173 H176 S177I73-Y155 HydrophobicContact CB-CE1 4.35Å; I73-Y155 HydrophobicContact CG1-CE1 4.13Å; I73-Y155 HydrophobicContact CG2-CD1 3.77Å; I73-Y155 HydrophobicContact CG2-CE1 3.5Å; I73-Y155 VanDerWaalsContact CG2-CE1 3.5Å; I73-Y155 HydrophobicContact CG2-CG 4.46Å; N76-Y155 HydrophobicContact CB-CE2 4.43Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.31Å; S151-Y155 VanDerWaalsContact O-CD2 3.29Å; S151-Y155 WeakPolarHBondContact O-CD2 3.21Å; S151-Y155 PolarHBondContact O-N 3.33Å; A152-Y155 PolarHBondContact O-N 3.31Å; A153-Y155 PolarHBondContact O-N 2.81Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 2.79Å; Y155-D158 CarbonylContact O-C 3.59Å; Y155-D158 PolarHBondContact O-N 3.2Å; Y155-D158 VanDerWaalsContact O-N 3.14Å; Y155-L159 PolarHBondContact O-N 2.81Å; Y155-I162 HydrophobicContact CD1-CD1 4.11Å; Y155-I162 HydrophobicContact CD1-CG2 4.48Å; Y155-I162 HydrophobicContact CG-CD1 4.4Å; Y155-D173 HydrophobicContact CE1-CB 4.38Å; Y155-D173 PolarHBondContact OH-O 3.07Å; Y155-H176 HydrophobicContact CE2-CB 4.21Å; Y155-H176 VanDerWaalsContact OH-C 3.26Å; Y155-S177 VanDerWaalsContact OH-CA 3.31Å; Y155-S177 WeakPolarHBondContact OH-CA 3.4Å; Y155-S177 PolarHBondContact OH-N 3.3Å
156L98.4Very high96.3Very high3 Ų342.9 Ų42.92%0.01626%0.256CS..Hα-helixtrans-68.1-33-176.3-66.5171000111.9T77 I81 I84 I127 W131 A152 D158 L159T77-L156 HydrophobicContact CG2-CD2 3.87Å; I81-L156 HydrophobicContact CB-CD2 4.19Å; I84-L156 HydrophobicContact CD1-CD1 3.95Å; I127-L156 HydrophobicContact CG2-CD2 3.67Å; W131-L156 HydrophobicContact CD2-CB 3.64Å; W131-L156 HydrophobicContact CD2-CD1 4.02Å; W131-L156 HydrophobicContact CD2-CG 4.35Å; W131-L156 VanDerWaalsContact CE2-CB 3.5Å; W131-L156 HydrophobicContact CE3-CB 4.23Å; W131-L156 HydrophobicContact CE3-CD1 3.71Å; W131-L156 HydrophobicContact CG-CB 3.89Å; W131-L156 HydrophobicContact CH2-CD1 4.13Å; W131-L156 HydrophobicContact CZ2-CB 3.97Å; W131-L156 HydrophobicContact CZ2-CD1 4.41Å; W131-L156 HydrophobicContact CZ3-CD1 3.79Å; W131-L156 PolarHBondContact NE1-O 2.96Å; A152-L156 HydrophobicContact CB-CD1 4.26Å; A152-L156 VanDerWaalsContact O-CB 3.23Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.32Å; L156-D158 PolarHBondContact O-N 2.89Å; L156-L159 HydrophobicContact CD2-CD1 4.32Å; L156-L159 VanDerWaalsContact O-CD1 3.29Å; L156-L159 WeakPolarHBondContact O-CD1 3.49Å; L156-L159 WeakPolarHBondContact O-CG 3.41Å
157N98.1Very high96.2Very high112 Ų11242 Ų4260%0.59925%0.252SS*.THydrogen-bonded Turntrans-71.3-19.5174.7-69.6-21.7000113.4W131 A153 Y155W131-N157 WeakPolarHBondContact CZ2-OD1 3.48Å; W131-N157 PolarHBondContact NE1-OD1 3.5Å; A153-N157 WeakPolarHBondContact O-CB 3.22Å; A153-N157 PolarHBondContact O-N 3.35Å; A153-N157 PolarHBondContact O-ND2 3.06Å; A153-N157 VanDerWaalsContact O-ND2 3.13Å; Y155-N157 VanDerWaalsContact C-N 3.31Å; Y155-N157 PolarHBondContact O-N 2.79Å
158D97.1Very high96.2Very high59 Ų5941.9 Ų41.932%0.31626%0.255SS..THydrogen-bonded Turntrans-122.930-172.6-151.7-0.9000112.4Y155 L156 D160 R161 I162Y155-D158 CarbonylContact O-C 3.59Å; Y155-D158 PolarHBondContact O-N 3.2Å; Y155-D158 VanDerWaalsContact O-N 3.14Å; L156-D158 PolarHBondContact O-N 2.89Å; D158-D160 PolarHBondContact O-N 2.8Å; D158-R161 PolarHBondContact O-N 2.74Å; D158-R161 VanDerWaalsContact O-N 3.09Å; D158-R161 WeakPolarHBondContact OD1-CB 3.4Å; D158-R161 IonicContact OD1-NE 2.76Å; D158-R161 IonicContact OD2-CZ 3.96Å; D158-R161 IonicContact OD2-NE 3.01Å; D158-R161 PolarHBondContact OD2-NE 3.34Å; D158-R161 IonicContact OD2-NH2 3.11Å; D158-R161 PolarHBondContact OD2-NH2 3.44Å; D158-R161 VanDerWaalsContact OD2-NH2 3.17Å; D158-I162 PolarHBondContact O-N 2.89Å; D158-I162 VanDerWaalsContact O-N 3.13Å
159L97Very high96.2Very high5 Ų541.6 Ų41.63%0.02625%0.254CS..Hα-helixtrans-54.3-38.6179.8-80.4162.9000112.2T77 I127 K128 Y155 L156 R161 I162 T163T77-L159 HydrophobicContact CG2-CD2 3.81Å; I127-L159 HydrophobicContact CB-CD1 4.38Å; I127-L159 HydrophobicContact CG2-CD1 3.67Å; I127-L159 HydrophobicContact CG2-CD2 4.08Å; K128-L159 HydrophobicContact CB-CD1 4.37Å; K128-L159 HydrophobicContact CD-CB 4.3Å; K128-L159 HydrophobicContact CG-CB 3.72Å; K128-L159 HydrophobicContact CG-CD1 3.62Å; K128-L159 HydrophobicContact CG-CG 4.27Å; Y155-L159 PolarHBondContact O-N 2.81Å; L156-L159 HydrophobicContact CD2-CD1 4.32Å; L156-L159 VanDerWaalsContact O-CD1 3.29Å; L156-L159 WeakPolarHBondContact O-CD1 3.49Å; L156-L159 WeakPolarHBondContact O-CG 3.41Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.03Å; L159-I162 HydrophobicContact CD2-CD1 4.34Å; L159-T163 VanDerWaalsContact O-CB 3.29Å; L159-T163 WeakPolarHBondContact O-CB 3.29Å; L159-T163 VanDerWaalsContact O-CG2 3.29Å; L159-T163 WeakPolarHBondContact O-CG2 3.34Å; L159-T163 PolarHBondContact O-N 3.28Å; L159-T163 PolarHBondContact O-OG1 2.95Å
160D96.5Very high96.4Very high96 Ų9643.1 Ų43.151%0.51326%0.262SS..Hα-helixtrans-60.2-41.9178.8-71.8-43.9000111.8K128 D158 A164K128-D160 WeakPolarHBondContact CE-OD1 3.46Å; K128-D160 IonicContact NZ-OD1 2.67Å; K128-D160 PolarHBondContact NZ-OD1 3.3Å; D158-D160 PolarHBondContact O-N 2.8Å; D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 2.76Å
161R97.5Very high96.7Very high65 Ų6543.5 Ų43.525%0.24526%0.262CS..Hα-helixtrans-69.3-51.2177.6-178.1-178.560.684.62.3111.7D158 L159 T163 A164 D173D158-R161 PolarHBondContact O-N 2.74Å; D158-R161 VanDerWaalsContact O-N 3.09Å; D158-R161 WeakPolarHBondContact OD1-CB 3.4Å; D158-R161 IonicContact OD1-NE 2.76Å; D158-R161 IonicContact OD2-CZ 3.96Å; D158-R161 IonicContact OD2-NE 3.01Å; D158-R161 PolarHBondContact OD2-NE 3.34Å; D158-R161 IonicContact OD2-NH2 3.11Å; D158-R161 PolarHBondContact OD2-NH2 3.44Å; D158-R161 VanDerWaalsContact OD2-NH2 3.17Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.03Å; R161-T163 PolarHBondContact O-N 3.1Å; R161-A164 WeakPolarHBondContact O-CB 3.03Å; R161-A164 PolarHBondContact O-N 3.46Å; R161-D173 IonicContact CZ-OD1 3.35Å; R161-D173 IonicContact CZ-OD2 3.81Å; R161-D173 VanDerWaalsContact NH1-CG 3.3Å; R161-D173 IonicContact NH1-OD1 2.62Å; R161-D173 PolarHBondContact NH1-OD1 2.9Å; R161-D173 IonicContact NH1-OD2 2.86Å; R161-D173 PolarHBondContact NH1-OD2 2.88Å; R161-D173 IonicContact NH2-OD1 2.73Å; R161-D173 PolarHBondContact NH2-OD1 3.46Å; R161-D173 IonicContact NH2-OD2 3.3Å
162I96.8Very high96.8Very high0 Ų046.3 Ų46.30%027%0.274CS..Hα-helixtrans-72.7-16.3-173.469.7175.3000112.4I73 Y74 T77 Y155 D158 L159 Y167I73-I162 HydrophobicContact CG2-CD1 4.4Å; Y74-I162 WeakPolarHBondContact CE1-O 3.18Å; Y74-I162 PolarHBondContact OH-O 2.91Å; T77-I162 HydrophobicContact CG2-CD1 4.32Å; Y155-I162 HydrophobicContact CD1-CD1 4.11Å; Y155-I162 HydrophobicContact CD1-CG2 4.48Å; Y155-I162 HydrophobicContact CG-CD1 4.4Å; D158-I162 PolarHBondContact O-N 2.89Å; D158-I162 VanDerWaalsContact O-N 3.13Å; L159-I162 HydrophobicContact CD2-CD1 4.34Å; I162-Y167 HydrophobicContact CB-CD1 4.28Å; I162-Y167 HydrophobicContact CB-CE1 3.87Å; I162-Y167 HydrophobicContact CB-CE2 4.31Å; I162-Y167 HydrophobicContact CG2-CE1 4.26Å; I162-Y167 HydrophobicContact CG2-CE2 4.06Å; I162-Y167 WeakPolarHBondContact O-CD1 3.48Å
163T95.4Very high96.8Very high35 Ų3546.2 Ų46.222%0.21527%0.274CS..THydrogen-bonded Turntrans-106.22.8177.367.90000114M119 A124 L159 R161M119-T163 HydrophobicContact CG-CG2 3.56Å; A124-T163 HydrophobicContact CB-CG2 3.66Å; L159-T163 VanDerWaalsContact O-CB 3.29Å; L159-T163 WeakPolarHBondContact O-CB 3.29Å; L159-T163 VanDerWaalsContact O-CG2 3.29Å; L159-T163 WeakPolarHBondContact O-CG2 3.34Å; L159-T163 PolarHBondContact O-N 3.28Å; L159-T163 PolarHBondContact O-OG1 2.95Å; R161-T163 PolarHBondContact O-N 3.1Å
164A95.8Very high96.9Very high48 Ų4845 Ų4540%0.39726%0.263SS..SBendtrans-62.1149.1175.300000112.2D160 R161 G166 Y167D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 2.76Å; R161-A164 WeakPolarHBondContact O-CB 3.03Å; R161-A164 PolarHBondContact O-N 3.46Å; A164-G166 PolarHBondContact O-N 2.81Å; A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.84Å
165S93.1Very high96.9Very high126 Ų12642.6 Ų42.688%0.88125%0.254SS*.THydrogen-bonded Turntrans-61.5124.7172.765.30000109.7
166G92.6Very high96.9Very high70 Ų7044.3 Ų44.372%0.72226%0.262SS*.THydrogen-bonded Turntrans80.614.4-176.900000114.6A164 V168A164-G166 PolarHBondContact O-N 2.81Å; G166-V168 PolarHBondContact O-N 2.93Å
167Y95.8Very high96.8Very high12 Ų1244.4 Ų44.45%0.04726%0.263CS..  trans-53.7123.2171168.2-118.7000111.5K70 Y74 I162 A164 P169 D173K70-Y167 HydrophobicContact CG-CD1 4.49Å; K70-Y167 PolarHBondContact NZ-O 3.1Å; Y74-Y167 HydrophobicContact CE1-CD1 4.31Å; Y74-Y167 HydrophobicContact CE1-CE1 4.33Å; I162-Y167 HydrophobicContact CB-CD1 4.28Å; I162-Y167 HydrophobicContact CB-CE1 3.87Å; I162-Y167 HydrophobicContact CB-CE2 4.31Å; I162-Y167 HydrophobicContact CG2-CE1 4.26Å; I162-Y167 HydrophobicContact CG2-CE2 4.06Å; I162-Y167 WeakPolarHBondContact O-CD1 3.48Å; A164-Y167 WeakPolarHBondContact O-CB 3.35Å; A164-Y167 PolarHBondContact O-N 2.84Å; Y167-P169 HydrophobicContact CE1-CG 3.91Å; Y167-P169 WeakPolarHBondContact OH-CA 3.38Å; Y167-D173 PolarHBondContact OH-OD2 3.17Å
168V96.2Very high96.6Very high55 Ų5541.7 Ų41.733%0.33324%0.244SC..  trans-114.7125.3168.7179.40000107.7E63 C66 M67 G166E63-V168 HydrophobicContact CG-CG1 3.68Å; C66-V168 HydrophobicContact CB-CG1 4.49Å; M67-V168 HydrophobicContact CG-CG1 4.17Å; M67-V168 HydrophobicContact SD-CB 4.14Å; M67-V168 HydrophobicContact SD-CG1 3.98Å; M67-V168 HydrophobicContact SD-CG2 3.89Å; G166-V168 PolarHBondContact O-N 2.93Å
169P98.1Very high96.5Very high4 Ų442.8 Ų42.83%0.02625%0.253CS..  trans-56.3140.9175.4-27.437.1000112.5C66 K70 I73 Y167 D173C66-P169 HydrophobicContact CB-CB 4.3Å; C66-P169 WeakPolarHBondContact CB-O 3.18Å; C66-P169 WeakPolarHBondContact O-CB 3.34Å; C66-P169 VanDerWaalsContact O-CG 3.29Å; C66-P169 WeakPolarHBondContact O-CG 3.4Å; C66-P169 PolarHBondContact SG-O 3.04Å; K70-P169 HydrophobicContact CB-CG 4.04Å; I73-P169 HydrophobicContact CD1-CB 3.62Å; I73-P169 HydrophobicContact CD1-CG 3.62Å; Y167-P169 HydrophobicContact CE1-CG 3.91Å; Y167-P169 WeakPolarHBondContact OH-CA 3.38Å; P169-D173 WeakPolarHBondContact CA-OD2 3.5Å; P169-D173 HydrophobicContact CB-CB 4.05Å
170N97.6Very high96.4Very high66 Ų6647.2 Ų47.235%0.35327%0.272SS..  trans-96.9175.1169.464.939.5000110.5Q172 D173 V174N170-Q172 PolarHBondContact O-N 3.42Å; N170-Q172 WeakPolarHBondContact OD1-CA 3.21Å; N170-Q172 VanDerWaalsContact OD1-CB 3.29Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.44Å; N170-Q172 PolarHBondContact OD1-N 3.45Å; N170-D173 PolarHBondContact N-OD2 2.86Å; N170-D173 WeakPolarHBondContact O-CB 3.32Å; N170-D173 PolarHBondContact O-N 3.27Å; N170-D173 VanDerWaalsContact O-N 3.11Å; N170-D173 PolarHBondContact OD1-N 3.31Å; N170-D173 PolarHBondContact OD1-OD2 3.2Å; N170-V174 WeakPolarHBondContact O-CG2 3.37Å; N170-V174 PolarHBondContact O-N 3.07Å
171E97.7Very high96.3Very high69 Ų6943.5 Ų43.532%0.32225%0.253SS..Hα-helixtrans-60.7-30.1179.7-63-171.414300113I55 G60 Y61 V174 L175I55-E171 HydrophobicContact CD1-CB 4Å; I55-E171 HydrophobicContact CD1-CG 4.48Å; G60-E171 WeakPolarHBondContact CA-OE1 3.47Å; Y61-E171 HydrophobicContact CD2-CG 4.47Å; Y61-E171 PolarHBondContact N-OE1 3.24Å; Y61-E171 VanDerWaalsContact N-OE1 3.14Å; E171-V174 WeakPolarHBondContact O-CB 3.45Å; E171-V174 PolarHBondContact O-N 2.96Å; E171-L175 VanDerWaalsContact O-CG 3.27Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å
172Q97.8Very high96.2Very high66 Ų6644.8 Ų44.831%0.30827%0.268SS..Hα-helixtrans-70.1-36.9176.8-161.864.16.800111.9Y154 N170 V174 L175 H176 T327Y154-Q172 HydrophobicContact CE2-CG 3.89Å; Y154-Q172 WeakPolarHBondContact OH-CB 3.37Å; Y154-Q172 WeakPolarHBondContact OH-CG 3.43Å; N170-Q172 PolarHBondContact O-N 3.42Å; N170-Q172 WeakPolarHBondContact OD1-CA 3.21Å; N170-Q172 VanDerWaalsContact OD1-CB 3.29Å; N170-Q172 WeakPolarHBondContact OD1-CB 3.44Å; N170-Q172 PolarHBondContact OD1-N 3.45Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-L175 PolarHBondContact O-N 3.25Å; Q172-H176 PolarHBondContact NE2-CE1 3.39Å; Q172-H176 PolarHBondContact O-N 2.82Å; Q172-H176 PolarHBondContact O-ND1 3.08Å; Q172-T327 PolarHBondContact NE2-O 2.74Å; Q172-T327 PolarHBondContact OE1-O 3.22Å
173D98.2Very high96Very high0 Ų045.7 Ų45.70%028%0.277CS..Hα-helixtrans-62.6-44.8169.7-58.4-46.7000110.2I73 Y154 Y155 R161 Y167 P169 N170 L175 H176 S177I73-D173 HydrophobicContact CD1-CB 3.72Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D173 PolarHBondContact OH-N 2.76Å; Y154-D173 PolarHBondContact OH-OD1 2.92Å; Y154-D173 VanDerWaalsContact OH-OD1 3.1Å; Y155-D173 HydrophobicContact CE1-CB 4.38Å; Y155-D173 PolarHBondContact OH-O 3.07Å; R161-D173 IonicContact CZ-OD1 3.35Å; R161-D173 IonicContact CZ-OD2 3.81Å; R161-D173 VanDerWaalsContact NH1-CG 3.3Å; R161-D173 IonicContact NH1-OD1 2.62Å; R161-D173 PolarHBondContact NH1-OD1 2.9Å; R161-D173 IonicContact NH1-OD2 2.86Å; R161-D173 PolarHBondContact NH1-OD2 2.88Å; R161-D173 IonicContact NH2-OD1 2.73Å; R161-D173 PolarHBondContact NH2-OD1 3.46Å; R161-D173 IonicContact NH2-OD2 3.3Å; Y167-D173 PolarHBondContact OH-OD2 3.17Å; P169-D173 WeakPolarHBondContact CA-OD2 3.5Å; P169-D173 HydrophobicContact CB-CB 4.05Å; N170-D173 PolarHBondContact N-OD2 2.86Å; N170-D173 WeakPolarHBondContact O-CB 3.32Å; N170-D173 PolarHBondContact O-N 3.27Å; N170-D173 VanDerWaalsContact O-N 3.11Å; N170-D173 PolarHBondContact OD1-N 3.31Å; N170-D173 PolarHBondContact OD1-OD2 3.2Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.64Å; D173-H176 PolarHBondContact O-N 3.48Å; D173-S177 PolarHBondContact O-N 3.45Å
174V98.1Very high96.1Very high0 Ų047.1 Ų47.10%028%0.283CS..Hα-helixtrans-58.9-42.5176.7176.10000110.8K51 Y61 F69 N170 E171 Q172 S177K51-V174 HydrophobicContact CD-CG1 4.2Å; K51-V174 WeakPolarHBondContact CD-O 3.47Å; K51-V174 PolarHBondContact NZ-O 3.37Å; Y61-V174 HydrophobicContact CD1-CG1 4.28Å; Y61-V174 HydrophobicContact CD2-CG1 4.21Å; Y61-V174 HydrophobicContact CE1-CG1 3.92Å; Y61-V174 HydrophobicContact CE2-CG1 3.85Å; Y61-V174 HydrophobicContact CG-CG1 4.42Å; F69-V174 HydrophobicContact CB-CG2 4.29Å; F69-V174 HydrophobicContact CD1-CG1 4.27Å; F69-V174 HydrophobicContact CD2-CB 4.44Å; F69-V174 HydrophobicContact CD2-CG1 4.02Å; F69-V174 HydrophobicContact CD2-CG2 3.69Å; F69-V174 HydrophobicContact CE1-CG1 4.01Å; F69-V174 HydrophobicContact CE2-CG1 3.75Å; F69-V174 HydrophobicContact CE2-CG2 4.19Å; F69-V174 HydrophobicContact CG-CG1 4.28Å; F69-V174 HydrophobicContact CG-CG2 3.95Å; F69-V174 HydrophobicContact CZ-CG1 3.75Å; N170-V174 WeakPolarHBondContact O-CG2 3.37Å; N170-V174 PolarHBondContact O-N 3.07Å; E171-V174 WeakPolarHBondContact O-CB 3.45Å; E171-V174 PolarHBondContact O-N 2.96Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; V174-S177 PolarHBondContact O-N 2.91Å; V174-S177 PolarHBondContact O-OG 3.16Å
175L98.1Very high96.1Very high3 Ų348.8 Ų48.82%0.01628%0.284CS..Hα-helixtrans-65.8-37.5178.6-72.3169.7000113.4T48 K51 Q52 I55 E171 Q172 D173 T327T48-L175 HydrophobicContact CG2-CB 4.36Å; T48-L175 HydrophobicContact CG2-CD2 3.79Å; K51-L175 HydrophobicContact CB-CD2 3.87Å; Q52-L175 HydrophobicContact CG-CD2 3.68Å; I55-L175 HydrophobicContact CD1-CD1 3.84Å; I55-L175 HydrophobicContact CD1-CD2 3.91Å; I55-L175 HydrophobicContact CD1-CG 3.87Å; E171-L175 VanDerWaalsContact O-CG 3.27Å; E171-L175 WeakPolarHBondContact O-CG 3.44Å; E171-L175 PolarHBondContact O-N 3.22Å; Q172-L175 PolarHBondContact O-N 3.25Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.64Å; L175-T327 HydrophobicContact CB-CG2 4.28Å
176H98.1Very high96.3Very high37 Ų3746.1 Ų46.117%0.17126%0.258CS..Hα-helixtrans-80.7-18.4177.1-71.994.4000113.7S151 Y154 Y155 Q172 D173 R178S151-H176 WeakPolarHBondContact CB-O 3.11Å; Y154-H176 HydrophobicContact CD1-CB 3.66Å; Y154-H176 AromaticContact CD1-CG 3.59Å; Y154-H176 AromaticContact CD1-ND1 3.76Å; Y154-H176 AromaticContact CD2-CE1 3.47Å; Y154-H176 VanDerWaalsContact CD2-CE1 3.47Å; Y154-H176 WeakPolarHBondContact CD2-CE1 3.43Å; Y154-H176 AromaticContact CD2-ND1 3.74Å; Y154-H176 AromaticContact CD2-NE2 3.73Å; Y154-H176 HydrophobicContact CE1-CB 3.98Å; Y154-H176 AromaticContact CE1-CG 3.92Å; Y154-H176 AromaticContact CE1-ND1 3.68Å; Y154-H176 AromaticContact CE2-CE1 3.56Å; Y154-H176 AromaticContact CE2-ND1 3.67Å; Y154-H176 HydrophobicContact CG-CB 4.22Å; Y154-H176 AromaticContact CG-CD2 3.74Å; Y154-H176 AromaticContact CG-CE1 3.86Å; Y154-H176 AromaticContact CG-CG 3.68Å; Y154-H176 AromaticContact CG-ND1 3.79Å; Y154-H176 AromaticContact CG-NE2 3.88Å; Y154-H176 AromaticContact CZ-ND1 3.64Å; Y155-H176 HydrophobicContact CE2-CB 4.21Å; Y155-H176 VanDerWaalsContact OH-C 3.26Å; Q172-H176 PolarHBondContact NE2-CE1 3.39Å; Q172-H176 PolarHBondContact O-N 2.82Å; Q172-H176 PolarHBondContact O-ND1 3.08Å; D173-H176 PolarHBondContact O-N 3.48Å; H176-R178 PolarHBondContact O-N 3.09Å
177S97Very high96.4Very high5 Ų544 Ų444%0.03523%0.231CC..  trans-63.5138178.669.40000111.5K51 F69 Y155 D173 V174K51-S177 PolarHBondContact NZ-O 3.01Å; K51-S177 PolarHBondContact NZ-OG 3.16Å; F69-S177 VanDerWaalsContact CD1-OG 3.3Å; F69-S177 WeakPolarHBondContact CD1-OG 3.38Å; Y155-S177 VanDerWaalsContact OH-CA 3.31Å; Y155-S177 WeakPolarHBondContact OH-CA 3.4Å; Y155-S177 PolarHBondContact OH-N 3.3Å; D173-S177 PolarHBondContact O-N 3.45Å; V174-S177 PolarHBondContact O-N 2.91Å; V174-S177 PolarHBondContact O-OG 3.16Å
178R95.1Very high96.4Very high55 Ų5547.5 Ų47.521%0.20825%0.247CC..  trans-116.6115.2-176.917960.6-178.5133.40.4110.5E43 N76 H176E43-R178 IonicContact OE1-NH2 3.21Å; N76-R178 PolarHBondContact ND2-O 3.2Å; N76-R178 PolarHBondContact OD1-N 3.22Å; N76-R178 PolarHBondContact OD1-O 3.3Å; H176-R178 PolarHBondContact O-N 3.09Å
179V94.8Very high96.4Very high81 Ų8145.2 Ų45.249%0.49123%0.233SC..  trans-120.6129.7164.9-176.40000107.7V72 T181V72-V179 HydrophobicContact CB-CG2 4.47Å; V72-V179 HydrophobicContact CG1-CG2 3.56Å; V72-V179 HydrophobicContact CG2-CG2 4.05Å; V179-T181 PolarHBondContact O-N 3Å; V179-T181 VanDerWaalsContact O-N 3.16Å
180K94.5Very high96.2Very high99 Ų9948.9 Ų48.943%0.4326%0.259SS..  trans-64114.7173.2173.2-177.8160.5165.20109.1T182 Q204K180-T182 PolarHBondContact O-N 3.17Å; K180-Q204 VanDerWaalsContact CD-OE1 3.24Å
181T94.9Very high95.9Very high18 Ų1848 Ų4811%0.1125%0.252CS..  trans-66.3123.2174.5-43.50000110.5S47 V179 I185 G202S47-T181 PolarHBondContact OG-OG1 2.81Å; V179-T181 PolarHBondContact O-N 3Å; V179-T181 VanDerWaalsContact O-N 3.16Å; T181-I185 HydrophobicContact CG2-CD1 3.89Å; T181-I185 HydrophobicContact CG2-CG1 4.39Å; T181-G202 VanDerWaalsContact O-CA 3.31Å; T181-G202 WeakPolarHBondContact O-CA 3.49Å
182T94Very high95.5Very high92 Ų9248.7 Ų48.756%0.56425%0.254SS*.  trans-114.9135.5172.756.80000109.5K180 E207K180-T182 PolarHBondContact O-N 3.17Å; T182-E207 WeakPolarHBondContact CA-OE2 3.25Å
183G94.1Very high94.9Very high18 Ų1852.6 Ų52.619%0.18628%0.277CS..SBendtrans75.4-145.4-17900000113.3G202 E207G183-G202 PolarHBondContact O-N 3.22Å; G183-E207 PolarHBondContact N-OE2 3.41Å
184I95.7Very high94.7Very high65 Ų6553.8 Ų53.833%0.33328%0.283SS..EExtended strand (participates in β ladder)trans-126125.8-174.8-60.9157.4000107.1F199 D200 V201 H213 C214I184-F199 HydrophobicContact CG2-CD1 3.91Å; I184-D200 WeakPolarHBondContact CA-O 3.2Å; I184-V201 HydrophobicContact CB-CG1 4.4Å; I184-V201 HydrophobicContact CG1-CG1 3.9Å; I184-V201 HydrophobicContact CG2-CG1 4.27Å; I184-H213 HydrophobicContact CD1-CB 3.86Å; I184-C214 VanDerWaalsContact CD1-SG 3.58Å; I184-C214 WeakPolarHBondContact CG2-SG 3.4Å
185I96.1Very high94.4Very high83 Ų8356.2 Ų56.243%0.42630%0.295SS..EExtended strand (participates in β ladder)trans-116.7122.3178-58.2178.7000107.8T181 F199 D200T181-I185 HydrophobicContact CG2-CD1 3.89Å; T181-I185 HydrophobicContact CG2-CG1 4.39Å; I185-F199 WeakPolarHBondContact O-CA 3.29Å; I185-D200 PolarHBondContact N-O 2.65Å; I185-D200 PolarHBondContact O-N 3.32Å
186E96.9Very high94.3Very high70 Ų7056.1 Ų56.133%0.32729%0.294SS..EExtended strand (participates in β ladder)trans-96.8129.6174.1-173.5179.7158.100110Q188 R197 M198 F199E186-Q188 HydrophobicContact CG-CG 4.37Å; E186-Q188 PolarHBondContact OE1-NE2 3.17Å; E186-R197 IonicContact OE1-CZ 3.3Å; E186-R197 IonicContact OE1-NE 3.81Å; E186-R197 PolarHBondContact OE1-NE 3.27Å; E186-R197 IonicContact OE1-NH2 2.73Å; E186-R197 PolarHBondContact OE1-NH2 3.43Å; E186-R197 VanDerWaalsContact OE1-NH2 3.11Å; E186-R197 IonicContact OE2-CZ 3.76Å; E186-R197 IonicContact OE2-NE 3.5Å; E186-R197 IonicContact OE2-NH2 2.66Å; E186-R197 PolarHBondContact OE2-NH2 3.09Å; E186-M198 CarbonylContact C-O 3.49Å; E186-M198 WeakPolarHBondContact CA-O 3.2Å; E186-F199 HydrophobicContact CB-CD1 4.25Å; E186-F199 HydrophobicContact CB-CE1 4.01Å; E186-F199 HydrophobicContact CB-CZ 4.45Å; E186-F199 HydrophobicContact CG-CD1 4.37Å; E186-F199 HydrophobicContact CG-CE1 3.91Å; E186-F199 HydrophobicContact CG-CE2 4.24Å; E186-F199 HydrophobicContact CG-CZ 3.84Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.29Å; E186-F199 WeakPolarHBondContact OE2-CZ 3.37Å
187T96.1Very high94.3Very high26 Ų2658.5 Ų58.516%0.1630%0.301CS..EExtended strand (participates in β ladder)trans-123.1130.1172.2-63.70000109.6V50 M198V50-T187 HydrophobicContact CG1-CG2 4.03Å; V50-T187 VanDerWaalsContact CG1-OG1 3.24Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.47Å; T187-M198 PolarHBondContact N-O 3.03Å; T187-M198 PolarHBondContact O-N 3.19Å
188Q96.3Very high94.3Very high85 Ų8558.2 Ų58.240%0.39730%0.3SS..EExtended strand (participates in β ladder)trans-113.5138.5-179.1-60.2179.95.800111.8K58 E186 F196 R197K58-Q188 WeakPolarHBondContact CD-O 3.22Å; K58-Q188 PolarHBondContact NZ-O 2.66Å; E186-Q188 HydrophobicContact CG-CG 4.37Å; E186-Q188 PolarHBondContact OE1-NE2 3.17Å; Q188-F196 VanDerWaalsContact CA-O 3.27Å; Q188-F196 WeakPolarHBondContact CA-O 3.41Å; Q188-R197 HydrophobicContact CG-CG 4.24Å
189F95.7Very high94.5Very high7 Ų756.4 Ų56.43%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-154.6165.8176.159.3-84.6000110.6M53 H57 K58 F196 M198 F336M53-F189 HydrophobicContact CB-CD1 3.87Å; M53-F189 HydrophobicContact CB-CE1 3.68Å; M53-F189 HydrophobicContact CB-CG 4.42Å; M53-F189 HydrophobicContact CB-CZ 4.06Å; M53-F189 HydrophobicContact CG-CD1 4.31Å; M53-F189 HydrophobicContact CG-CE1 3.6Å; M53-F189 HydrophobicContact CG-CE2 4.43Å; M53-F189 HydrophobicContact CG-CZ 3.67Å; M53-F189 HydrophobicContact SD-CE1 4.08Å; M53-F189 HydrophobicContact SD-CE2 3.87Å; M53-F189 HydrophobicContact SD-CZ 3.48Å; M53-F189 WeakPolarHBondContact SD-CZ 3.31Å; H57-F189 HydrophobicContact CB-CB 4.05Å; H57-F189 HydrophobicContact CB-CD2 3.92Å; H57-F189 HydrophobicContact CB-CG 4.27Å; H57-F189 AromaticContact CD2-CD2 3.71Å; H57-F189 AromaticContact CD2-CE2 3.78Å; H57-F189 AromaticContact CG-CD2 3.92Å; K58-F189 HydrophobicContact CD-CB 4.21Å; K58-F189 HydrophobicContact CG-CB 4.03Å; F189-F196 HydrophobicContact CD1-CB 4.13Å; F189-F196 HydrophobicContact CD2-CB 3.94Å; F189-F196 HydrophobicContact CD2-CD2 4.2Å; F189-F196 HydrophobicContact CD2-CG 4.3Å; F189-F196 HydrophobicContact CE1-CB 3.79Å; F189-F196 HydrophobicContact CE2-CB 3.58Å; F189-F196 HydrophobicContact CE2-CD1 4.4Å; F189-F196 AromaticContact CE2-CD2 3.8Å; F189-F196 HydrophobicContact CE2-CD2 3.8Å; F189-F196 AromaticContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CG-CB 4.2Å; F189-F196 HydrophobicContact CZ-CB 3.5Å; F189-F196 HydrophobicContact CZ-CD1 4.31Å; F189-F196 HydrophobicContact CZ-CD2 4.44Å; F189-F196 AromaticContact CZ-CG 3.85Å; F189-F196 HydrophobicContact CZ-CG 3.85Å; F189-F196 PolarHBondContact N-O 2.73Å; F189-F196 VanDerWaalsContact N-O 3.16Å; F189-F196 PolarHBondContact O-N 3.04Å; F189-M198 HydrophobicContact CE1-CB 4Å; F189-M198 HydrophobicContact CE1-CE 3.96Å; F189-M198 HydrophobicContact CE1-SD 4.39Å; F189-M198 HydrophobicContact CZ-CE 3.9Å; F189-F336 AromaticContact CE2-CE1 3.79Å; F189-F336 HydrophobicContact CE2-CE1 3.79Å; F189-F336 AromaticContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CZ-CE1 4.07Å; F189-F336 HydrophobicContact CZ-CE2 4.37Å; F189-F336 AromaticContact CZ-CZ 3.6Å; F189-F336 HydrophobicContact CZ-CZ 3.6Å
190S92.6Very high94.6Very high82 Ų8252.7 Ų52.757%0.57327%0.271SS*.EExtended strand (participates in β ladder)trans-118138.3178.4-69.40000110.6L194S190-L194 VanDerWaalsContact CA-O 3.3Å; S190-L194 WeakPolarHBondContact CA-O 3.37Å
191F92.4Very high94.8Very high46 Ų4648 Ų4820%0.20225%0.251CS..EExtended strand (participates in β ladder)trans-155.4135.2179.3178.6-124.1000110.2H57 D193 L194 F196 F336 D337 T340H57-F191 AromaticContact CE1-CD2 3.33Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.33Å; H57-F191 AromaticContact CE1-CE2 3.76Å; H57-F191 AromaticContact CE1-CG 3.55Å; H57-F191 AromaticContact ND1-CD2 3.7Å; F191-D193 VanDerWaalsContact C-N 3.31Å; F191-D193 PolarHBondContact O-N 3.48Å; F191-L194 PolarHBondContact N-O 3.21Å; F191-L194 WeakPolarHBondContact O-CB 3.2Å; F191-L194 PolarHBondContact O-N 2.67Å; F191-F196 HydrophobicContact CB-CD2 4.09Å; F191-F196 HydrophobicContact CB-CE2 3.8Å; F191-F196 HydrophobicContact CD1-CE2 4.23Å; F191-F336 HydrophobicContact CD1-CD1 4.34Å; F191-F336 HydrophobicContact CD1-CE1 4.09Å; F191-F336 HydrophobicContact CE1-CD1 4.43Å; F191-D337 VanDerWaalsContact CZ-OD1 3.29Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.08Å; F191-T340 HydrophobicContact CD1-CG2 3.86Å; F191-T340 HydrophobicContact CE1-CG2 3.85Å; F191-T340 WeakPolarHBondContact CE1-OG1 3.31Å
192K88.9Confident94.8Very high84 Ų8447.2 Ų47.237%0.36525%0.246SC..THydrogen-bonded Turntrans46.948.2-177.5-68.6-179.3165.1172.30113.5L194 D337 T340 D341 I344K192-L194 PolarHBondContact O-N 3.1Å; K192-D337 WeakPolarHBondContact CE-OD1 3.35Å; K192-D337 IonicContact NZ-OD1 2.59Å; K192-D337 PolarHBondContact NZ-OD1 3.09Å; K192-D337 IonicContact NZ-OD2 2.8Å; K192-T340 HydrophobicContact CD-CG2 3.96Å; K192-D341 IonicContact NZ-OD1 2.63Å; K192-D341 PolarHBondContact NZ-OD1 3.11Å; K192-D341 IonicContact NZ-OD2 2.9Å; K192-D341 PolarHBondContact NZ-OD2 2.85Å; K192-I344 HydrophobicContact CD-CD1 4.29Å
193D86.4Confident94.9Very high149 Ų14943.1 Ų43.180%0.79722%0.222SC*.THydrogen-bonded Turntrans60.18.6-177.3-56.2-41.5000116.2F191F191-D193 VanDerWaalsContact C-N 3.31Å; F191-D193 PolarHBondContact O-N 3.48Å
194L92.4Very high95Very high24 Ų2443.7 Ų43.713%0.12622%0.22CC..EExtended strand (participates in β ladder)trans-97.7146.5173.1-60.7171.9000110.6R32 V34 S190 F191 K192 F196 T340 I344R32-L194 HydrophobicContact CB-CD2 4.39Å; R32-L194 WeakPolarHBondContact O-CA 3.34Å; V34-L194 HydrophobicContact CG2-CB 4.36Å; V34-L194 HydrophobicContact CG2-CD1 4.03Å; V34-L194 HydrophobicContact CG2-CD2 4.37Å; V34-L194 HydrophobicContact CG2-CG 4.5Å; S190-L194 VanDerWaalsContact CA-O 3.3Å; S190-L194 WeakPolarHBondContact CA-O 3.37Å; F191-L194 PolarHBondContact N-O 3.21Å; F191-L194 WeakPolarHBondContact O-CB 3.2Å; F191-L194 PolarHBondContact O-N 2.67Å; K192-L194 PolarHBondContact O-N 3.1Å; L194-F196 HydrophobicContact CB-CD2 4.18Å; L194-F196 HydrophobicContact CB-CE2 3.65Å; L194-F196 HydrophobicContact CB-CZ 4.21Å; L194-F196 HydrophobicContact CD1-CE2 4.22Å; L194-F196 HydrophobicContact CD1-CZ 4.01Å; L194-T340 HydrophobicContact CD1-CG2 4.33Å; L194-I344 HydrophobicContact CD1-CD1 3.93Å; L194-I344 HydrophobicContact CD1-CG1 3.66Å
195H93.4Very high95Very high52 Ų5244.8 Ų44.824%0.24122%0.22CC..EExtended strand (participates in β ladder)trans-99.8110.4171.9-179.967.4000109.4R32 T33 V34R32-H195 PolarHBondContact O-N 3.22Å; T33-H195 CarbonylContact C-O 3.55Å; T33-H195 VanDerWaalsContact CA-O 3.3Å; T33-H195 WeakPolarHBondContact CA-O 3.47Å; V34-H195 PolarHBondContact N-O 3.06Å
196F96.1Very high94.9Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-91.7130.8-179.3-72.9-91.8000111V34 L36 Q188 F189 F191 L194 F336 T340V34-F196 HydrophobicContact CB-CD1 3.75Å; V34-F196 HydrophobicContact CB-CE1 3.81Å; V34-F196 HydrophobicContact CB-CG 4.41Å; V34-F196 HydrophobicContact CB-CZ 4.49Å; V34-F196 HydrophobicContact CG1-CD1 3.75Å; V34-F196 HydrophobicContact CG1-CE1 3.63Å; V34-F196 HydrophobicContact CG2-CE1 4.25Å; V34-F196 WeakPolarHBondContact O-CA 3.29Å; L36-F196 HydrophobicContact CD1-CD1 3.53Å; L36-F196 HydrophobicContact CD1-CE1 3.96Å; L36-F196 HydrophobicContact CG-CD1 3.88Å; L36-F196 HydrophobicContact CG-CE1 4.36Å; Q188-F196 VanDerWaalsContact CA-O 3.27Å; Q188-F196 WeakPolarHBondContact CA-O 3.41Å; F189-F196 HydrophobicContact CD1-CB 4.13Å; F189-F196 HydrophobicContact CD2-CB 3.94Å; F189-F196 HydrophobicContact CD2-CD2 4.2Å; F189-F196 HydrophobicContact CD2-CG 4.3Å; F189-F196 HydrophobicContact CE1-CB 3.79Å; F189-F196 HydrophobicContact CE2-CB 3.58Å; F189-F196 HydrophobicContact CE2-CD1 4.4Å; F189-F196 AromaticContact CE2-CD2 3.8Å; F189-F196 HydrophobicContact CE2-CD2 3.8Å; F189-F196 AromaticContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CG-CB 4.2Å; F189-F196 HydrophobicContact CZ-CB 3.5Å; F189-F196 HydrophobicContact CZ-CD1 4.31Å; F189-F196 HydrophobicContact CZ-CD2 4.44Å; F189-F196 AromaticContact CZ-CG 3.85Å; F189-F196 HydrophobicContact CZ-CG 3.85Å; F189-F196 PolarHBondContact N-O 2.73Å; F189-F196 VanDerWaalsContact N-O 3.16Å; F189-F196 PolarHBondContact O-N 3.04Å; F191-F196 HydrophobicContact CB-CD2 4.09Å; F191-F196 HydrophobicContact CB-CE2 3.8Å; F191-F196 HydrophobicContact CD1-CE2 4.23Å; L194-F196 HydrophobicContact CB-CD2 4.18Å; L194-F196 HydrophobicContact CB-CE2 3.65Å; L194-F196 HydrophobicContact CB-CZ 4.21Å; L194-F196 HydrophobicContact CD1-CE2 4.22Å; L194-F196 HydrophobicContact CD1-CZ 4.01Å; F196-F336 HydrophobicContact CD1-CZ 4.17Å; F196-F336 HydrophobicContact CE1-CE1 4.49Å; F196-F336 HydrophobicContact CE1-CZ 4.05Å; F196-F336 HydrophobicContact CZ-CE1 4.46Å; F196-F336 HydrophobicContact CZ-CZ 4.46Å; F196-T340 HydrophobicContact CZ-CG2 3.88Å
197R96.9Very high94.9Very high87 Ų8742.1 Ų42.133%0.32821%0.214SC..EExtended strand (participates in β ladder)trans-113.5100.7167.7-59.9179.262.8-1640.7108.2T33 V34 K35 L36 E186 Q188 F199T33-R197 HydrophobicContact CG2-CG 4.05Å; V34-R197 PolarHBondContact O-N 2.95Å; K35-R197 WeakPolarHBondContact CA-O 3.08Å; L36-R197 PolarHBondContact N-O 2.84Å; E186-R197 IonicContact OE1-CZ 3.3Å; E186-R197 IonicContact OE1-NE 3.81Å; E186-R197 PolarHBondContact OE1-NE 3.27Å; E186-R197 IonicContact OE1-NH2 2.73Å; E186-R197 PolarHBondContact OE1-NH2 3.43Å; E186-R197 VanDerWaalsContact OE1-NH2 3.11Å; E186-R197 IonicContact OE2-CZ 3.76Å; E186-R197 IonicContact OE2-NE 3.5Å; E186-R197 IonicContact OE2-NH2 2.66Å; E186-R197 PolarHBondContact OE2-NH2 3.09Å; Q188-R197 HydrophobicContact CG-CG 4.24Å; R197-F199 HydrophobicContact CB-CE2 3.79Å; R197-F199 WeakPolarHBondContact O-CD2 3.27Å
198M97.6Very high94.9Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-97.8124.3-177.8-176.8176.3-7500110.7L36 L38 V50 M53 E186 T187 F189 F336L36-M198 HydrophobicContact CB-CB 4.34Å; L36-M198 HydrophobicContact CB-CE 4.48Å; L36-M198 HydrophobicContact CB-CG 4.34Å; L36-M198 HydrophobicContact CD1-CE 3.6Å; L36-M198 CarbonylContact O-C 3.38Å; L36-M198 WeakPolarHBondContact O-CA 3.04Å; L38-M198 HydrophobicContact CD1-CG 4.09Å; L38-M198 HydrophobicContact CD1-SD 3.84Å; L38-M198 HydrophobicContact CD2-CE 4.47Å; L38-M198 HydrophobicContact CD2-CG 4.36Å; L38-M198 HydrophobicContact CD2-SD 4.29Å; L38-M198 HydrophobicContact CG-CG 3.98Å; L38-M198 HydrophobicContact CG-SD 4.21Å; V50-M198 HydrophobicContact CG2-CG 4.34Å; V50-M198 HydrophobicContact CG2-SD 3.85Å; M53-M198 HydrophobicContact CG-CE 3.54Å; M53-M198 HydrophobicContact CG-SD 3.72Å; M53-M198 HydrophobicContact SD-CE 3.97Å; E186-M198 CarbonylContact C-O 3.49Å; E186-M198 WeakPolarHBondContact CA-O 3.2Å; T187-M198 PolarHBondContact N-O 3.03Å; T187-M198 PolarHBondContact O-N 3.19Å; F189-M198 HydrophobicContact CE1-CB 4Å; F189-M198 HydrophobicContact CE1-CE 3.96Å; F189-M198 HydrophobicContact CE1-SD 4.39Å; F189-M198 HydrophobicContact CZ-CE 3.9Å; M198-F336 HydrophobicContact CE-CE2 3.8Å; M198-F336 HydrophobicContact CE-CZ 4.34Å
199F98.1Very high94.8Very high16 Ų1647.8 Ų47.87%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-106.9113-179-67.9-97.7000109.7K35 L36 L37 L38 I184 I185 E186 R197K35-F199 HydrophobicContact CD-CD2 4.4Å; K35-F199 HydrophobicContact CD-CE2 4.02Å; K35-F199 HydrophobicContact CG-CD2 3.87Å; K35-F199 HydrophobicContact CG-CE2 3.69Å; L36-F199 PolarHBondContact O-N 3.25Å; L37-F199 HydrophobicContact CD1-CB 3.84Å; L38-F199 PolarHBondContact N-O 2.6Å; I184-F199 HydrophobicContact CG2-CD1 3.91Å; I185-F199 WeakPolarHBondContact O-CA 3.29Å; E186-F199 HydrophobicContact CB-CD1 4.25Å; E186-F199 HydrophobicContact CB-CE1 4.01Å; E186-F199 HydrophobicContact CB-CZ 4.45Å; E186-F199 HydrophobicContact CG-CD1 4.37Å; E186-F199 HydrophobicContact CG-CE1 3.91Å; E186-F199 HydrophobicContact CG-CE2 4.24Å; E186-F199 HydrophobicContact CG-CZ 3.84Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.29Å; E186-F199 WeakPolarHBondContact OE2-CZ 3.37Å; R197-F199 HydrophobicContact CB-CE2 3.79Å; R197-F199 WeakPolarHBondContact O-CD2 3.27Å
200D97.9Very high94.8Very high4 Ų451.1 Ų51.12%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-98.6134.1169.9-177.833.9000110.3L38 K46 S47 V50 I184 I185L38-D200 HydrophobicContact CD1-CB 4.37Å; K46-D200 VanDerWaalsContact CB-OD1 3.27Å; K46-D200 WeakPolarHBondContact CB-OD1 3.27Å; S47-D200 WeakPolarHBondContact CA-OD2 3.38Å; S47-D200 VanDerWaalsContact CB-OD2 3.31Å; S47-D200 WeakPolarHBondContact CB-OD2 3.24Å; S47-D200 PolarHBondContact OG-OD2 2.99Å; V50-D200 HydrophobicContact CG2-CB 3.65Å; I184-D200 WeakPolarHBondContact CA-O 3.2Å; I185-D200 PolarHBondContact N-O 2.65Å; I185-D200 PolarHBondContact O-N 3.32Å
201V97.6Very high95Very high1 Ų147.7 Ų47.71%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-128.5148.5-175.5-60.80000110.6L37 L38 L39 K46 I184 G203 W211L37-V201 HydrophobicContact CD1-CG1 4.35Å; L38-V201 WeakPolarHBondContact O-CG2 3.39Å; L39-V201 HydrophobicContact CD2-CG2 3.76Å; K46-V201 WeakPolarHBondContact CE-O 3.47Å; I184-V201 HydrophobicContact CB-CG1 4.4Å; I184-V201 HydrophobicContact CG1-CG1 3.9Å; I184-V201 HydrophobicContact CG2-CG1 4.27Å; V201-G203 PolarHBondContact O-N 3.13Å; V201-W211 VanDerWaalsContact CG2-CD1 3.48Å; V201-W211 HydrophobicContact CG2-CD2 4.26Å; V201-W211 HydrophobicContact CG2-CG 4.09Å; V201-W211 HydrophobicContact CG2-CZ2 4.4Å; V201-W211 VanDerWaalsContact CG2-NE1 3.27Å
202G96.4Very high95Very high1 Ų149.1 Ų49.11%0.0123%0.231CC..  trans-54.5123.3174.300000111.9T181 G183 E207 W211T181-G202 VanDerWaalsContact O-CA 3.31Å; T181-G202 WeakPolarHBondContact O-CA 3.49Å; G183-G202 PolarHBondContact O-N 3.22Å; G202-E207 WeakPolarHBondContact O-CB 3.21Å; G202-W211 PolarHBondContact O-NE1 2.77Å
203G95.2Very high95.3Very high6 Ų652 Ų526%0.06225%0.246CC..  trans-84.4-18.2-175.900000115.7G40 G42 V201 R208G40-G203 WeakPolarHBondContact O-CA 3.41Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 3.2Å; V201-G203 PolarHBondContact O-N 3.13Å; G203-R208 PolarHBondContact O-NE 3.16Å; G203-R208 VanDerWaalsContact O-NE 3.07Å
204Q95.6Very high95.7Very high30 Ų3045 Ų4514%0.1421%0.209CC..SBendtrans-70.3153.5-177.1-69.5-177.1-1.600111.3K180 S206 E207 R208 E236K180-Q204 VanDerWaalsContact CD-OE1 3.24Å; Q204-S206 PolarHBondContact O-N 3.25Å; Q204-S206 VanDerWaalsContact O-N 3.12Å; Q204-E207 PolarHBondContact O-N 3.1Å; Q204-R208 WeakPolarHBondContact O-CG 3.41Å; Q204-R208 PolarHBondContact O-N 2.87Å; Q204-E236 WeakPolarHBondContact CA-OE1 3.46Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.31Å
205R95.8Very high95.8Very high88 Ų8844.6 Ų44.633%0.33221%0.206SC..G310 helixtrans-52.8-39.9-173-75-176.9170.4175.4-1.5113E207 R208 E236 D237 E245R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.02Å; R205-R208 PolarHBondContact O-N 2.91Å; R205-E236 PolarHBondContact N-OE1 3.3Å; R205-D237 IonicContact CZ-OD2 2.62Å; R205-D237 IonicContact NH1-OD2 3.17Å; R205-D237 PolarHBondContact NH1-OD2 3.1Å; R205-D237 IonicContact NH2-OD2 3.93Å; R205-E245 IonicContact CZ-OE1 3.19Å; R205-E245 IonicContact CZ-OE2 3.78Å; R205-E245 IonicContact NE-OE1 2.93Å; R205-E245 PolarHBondContact NE-OE1 2.89Å; R205-E245 IonicContact NE-OE2 3.88Å; R205-E245 IonicContact NH2-OE1 2.7Å; R205-E245 IonicContact NH2-OE2 2.57Å; R205-E245 PolarHBondContact NH2-OE2 3.41Å
206S95.1Very high95.8Very high76 Ų7650.1 Ų50.153%0.53123%0.232SC..G310 helixtrans-65.5-24.5178.952.90000114.6Q204Q204-S206 PolarHBondContact O-N 3.25Å; Q204-S206 VanDerWaalsContact O-N 3.12Å
207E96.4Very high95.5Very high20 Ų2053.1 Ų53.19%0.09326%0.263CS..G310 helixtrans-91.5-19.3-177.1-63.9-61.8104.400112.8T182 G183 G202 Q204 R205 K209 K210T182-E207 WeakPolarHBondContact CA-OE2 3.25Å; G183-E207 PolarHBondContact N-OE2 3.41Å; G202-E207 WeakPolarHBondContact O-CB 3.21Å; Q204-E207 PolarHBondContact O-N 3.1Å; R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 3.02Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 3.23Å; E207-K210 VanDerWaalsContact O-CB 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.34Å; E207-K210 PolarHBondContact O-N 2.94Å; E207-K210 IonicContact OE1-NZ 3.07Å; E207-K210 PolarHBondContact OE1-NZ 3.05Å; E207-K210 IonicContact OE2-NZ 3.79Å; E207-K210 PolarHBondContact OE2-NZ 2.83Å
208R95.6Very high95.5Very high45 Ų4549.5 Ų49.517%0.1725%0.25CS..G310 helixtrans-65-26.3-170.8-55.5-165.2-169152.25.8114.7G203 Q204 R205 K210 W211 E245G203-R208 PolarHBondContact O-NE 3.16Å; G203-R208 VanDerWaalsContact O-NE 3.07Å; Q204-R208 WeakPolarHBondContact O-CG 3.41Å; Q204-R208 PolarHBondContact O-N 2.87Å; R205-R208 PolarHBondContact O-N 2.91Å; R208-K210 PolarHBondContact O-N 3.44Å; R208-K210 VanDerWaalsContact O-N 3.16Å; R208-W211 HydrophobicContact CB-CD2 4.15Å; R208-W211 HydrophobicContact CB-CZ2 4.33Å; R208-W211 HydrophobicContact CG-CD2 4.41Å; R208-W211 HydrophobicContact CG-CH2 4.11Å; R208-W211 HydrophobicContact CG-CZ2 3.68Å; R208-W211 VanDerWaalsContact O-CB 3.29Å; R208-W211 WeakPolarHBondContact O-CB 3.47Å; R208-W211 VanDerWaalsContact O-CG 3.26Å; R208-W211 PolarHBondContact O-N 2.86Å; R208-W211 VanDerWaalsContact O-N 3.07Å; R208-E245 IonicContact CZ-OE1 3.06Å; R208-E245 IonicContact NH1-OE1 3.93Å; R208-E245 PolarHBondContact NH1-OE1 3.22Å; R208-E245 IonicContact NH2-OE1 2.74Å; R208-E245 PolarHBondContact NH2-OE1 3.43Å
209K94.5Very high95.3Very high186 Ų18650.8 Ų50.881%0.80926%0.258SS*.G310 helixtrans-58.9-26.8173.9-67.3-176.6-179.4178.90112.2E207 W211 I212E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 3.23Å; K209-W211 VanDerWaalsContact C-N 3.31Å; K209-W211 PolarHBondContact O-N 3.18Å; K209-I212 WeakPolarHBondContact O-CG2 3.2Å
210K95.8Very high95.1Very high77 Ų7750 Ų5034%0.33526%0.255SS..G310 helixtrans-77.7-15.1-179.6-56174.4-173.1166.90112.7E207 R208 I212 H213E207-K210 VanDerWaalsContact O-CB 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.34Å; E207-K210 PolarHBondContact O-N 2.94Å; E207-K210 IonicContact OE1-NZ 3.07Å; E207-K210 PolarHBondContact OE1-NZ 3.05Å; E207-K210 IonicContact OE2-NZ 3.79Å; E207-K210 PolarHBondContact OE2-NZ 2.83Å; R208-K210 PolarHBondContact O-N 3.44Å; R208-K210 VanDerWaalsContact O-N 3.16Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 3.09Å; K210-H213 WeakPolarHBondContact O-CB 3.25Å; K210-H213 PolarHBondContact O-CD2 3.3Å; K210-H213 PolarHBondContact O-N 2.86Å
211W96.4Very high95.1Very high9 Ų949.9 Ų49.93%0.03425%0.254CS..G310 helixtrans-62.5-34-174.4-66.93.5000113.3L39 V201 G202 R208 K209 H213 C214 F215 L249 I253L39-W211 HydrophobicContact CB-CZ3 4.44Å; L39-W211 HydrophobicContact CD2-CD2 3.8Å; L39-W211 HydrophobicContact CD2-CE3 3.71Å; L39-W211 HydrophobicContact CD2-CG 4.26Å; L39-W211 HydrophobicContact CD2-CH2 4.41Å; L39-W211 HydrophobicContact CD2-CZ3 4.01Å; V201-W211 VanDerWaalsContact CG2-CD1 3.48Å; V201-W211 HydrophobicContact CG2-CD2 4.26Å; V201-W211 HydrophobicContact CG2-CG 4.09Å; V201-W211 HydrophobicContact CG2-CZ2 4.4Å; V201-W211 VanDerWaalsContact CG2-NE1 3.27Å; G202-W211 PolarHBondContact O-NE1 2.77Å; R208-W211 HydrophobicContact CB-CD2 4.15Å; R208-W211 HydrophobicContact CB-CZ2 4.33Å; R208-W211 HydrophobicContact CG-CD2 4.41Å; R208-W211 HydrophobicContact CG-CH2 4.11Å; R208-W211 HydrophobicContact CG-CZ2 3.68Å; R208-W211 VanDerWaalsContact O-CB 3.29Å; R208-W211 WeakPolarHBondContact O-CB 3.47Å; R208-W211 VanDerWaalsContact O-CG 3.26Å; R208-W211 PolarHBondContact O-N 2.86Å; R208-W211 VanDerWaalsContact O-N 3.07Å; K209-W211 VanDerWaalsContact C-N 3.31Å; K209-W211 PolarHBondContact O-N 3.18Å; W211-H213 PolarHBondContact O-N 3.19Å; W211-C214 PolarHBondContact O-N 3.39Å; W211-F215 HydrophobicContact CB-CE1 3.79Å; W211-F215 HydrophobicContact CB-CZ 4.18Å; W211-F215 WeakPolarHBondContact O-CD1 3.35Å; W211-F215 VanDerWaalsContact O-CE1 3.29Å; W211-F215 WeakPolarHBondContact O-CE1 3.37Å; W211-L249 HydrophobicContact CH2-CD1 3.75Å; W211-L249 HydrophobicContact CH2-CD2 3.69Å; W211-L249 HydrophobicContact CH2-CG 4.15Å; W211-L249 HydrophobicContact CZ3-CD1 3.6Å; W211-L249 HydrophobicContact CZ3-CD2 4.29Å; W211-L249 HydrophobicContact CZ3-CG 4.25Å; W211-I253 HydrophobicContact CE3-CD1 4.23Å; W211-I253 HydrophobicContact CZ3-CD1 4.1Å; W211-I253 HydrophobicContact CZ3-CG1 4.42Å
212I93.3Very high95.1Very high76 Ų7649.8 Ų49.839%0.3925%0.254SS..G310 helixtrans-55.5-28.3179.8-168.759.4000112.6K209 K210 C214 F215 Y258K209-I212 WeakPolarHBondContact O-CG2 3.2Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 3.09Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-C214 VanDerWaalsContact O-N 3.14Å; I212-F215 HydrophobicContact CD1-CB 4.31Å; I212-F215 HydrophobicContact CD1-CD2 3.53Å; I212-F215 HydrophobicContact CD1-CE2 4.11Å; I212-F215 HydrophobicContact CD1-CG 4.07Å; I212-F215 PolarHBondContact O-N 3Å; I212-Y258 HydrophobicContact CD1-CE2 4.29Å
213H94.1Very high95.2Very high145 Ų14549.8 Ų49.867%0.67125%0.253SS*.G310 helixtrans-67.8-10177.2-58.8-61.3000113.7I184 K210 W211I184-H213 HydrophobicContact CD1-CB 3.86Å; K210-H213 WeakPolarHBondContact O-CB 3.25Å; K210-H213 PolarHBondContact O-CD2 3.3Å; K210-H213 PolarHBondContact O-N 2.86Å; W211-H213 PolarHBondContact O-N 3.19Å
214C95.4Very high95.4Very high3 Ų349.5 Ų49.52%0.0225%0.25CS..G310 helixtrans-108.6-3.4178.2-62.60000113.8K35 L37 I184 W211 I212 E216 V218K35-C214 WeakPolarHBondContact CE-O 3.33Å; K35-C214 PolarHBondContact NZ-O 3.46Å; L37-C214 HydrophobicContact CD1-CB 3.65Å; L37-C214 HydrophobicContact CD2-CB 4.25Å; I184-C214 VanDerWaalsContact CD1-SG 3.58Å; I184-C214 WeakPolarHBondContact CG2-SG 3.4Å; W211-C214 PolarHBondContact O-N 3.39Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-C214 VanDerWaalsContact O-N 3.14Å; C214-E216 PolarHBondContact O-N 3.44Å; C214-V218 WeakPolarHBondContact O-CG2 3.34Å
215F94.6Very high95.5Very high15 Ų1548.1 Ų48.17%0.06624%0.244CC..  trans-76.3-19.5-166.5-78.316.5000114.4L37 W211 I212 I253 H256 Y258 F259L37-F215 HydrophobicContact CD2-CD1 3.88Å; L37-F215 HydrophobicContact CD2-CE1 4.04Å; W211-F215 HydrophobicContact CB-CE1 3.79Å; W211-F215 HydrophobicContact CB-CZ 4.18Å; W211-F215 WeakPolarHBondContact O-CD1 3.35Å; W211-F215 VanDerWaalsContact O-CE1 3.29Å; W211-F215 WeakPolarHBondContact O-CE1 3.37Å; I212-F215 HydrophobicContact CD1-CB 4.31Å; I212-F215 HydrophobicContact CD1-CD2 3.53Å; I212-F215 HydrophobicContact CD1-CE2 4.11Å; I212-F215 HydrophobicContact CD1-CG 4.07Å; I212-F215 PolarHBondContact O-N 3Å; F215-I253 HydrophobicContact CZ-CD1 4.28Å; F215-H256 AromaticContact CD2-CE1 3.74Å; F215-H256 AromaticContact CD2-ND1 3.95Å; F215-H256 AromaticContact CE2-CE1 3.55Å; F215-H256 AromaticContact CE2-ND1 3.76Å; F215-Y258 HydrophobicContact CB-CD1 4.38Å; F215-Y258 HydrophobicContact CD2-CG 4.35Å; F215-F259 HydrophobicContact CB-CE1 4.09Å; F215-F259 HydrophobicContact CB-CZ 4.15Å; F215-F259 HydrophobicContact CD1-CE1 4.07Å; F215-F259 HydrophobicContact CD1-CE2 4.22Å; F215-F259 AromaticContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD2-CE1 4.21Å; F215-F259 HydrophobicContact CD2-CE2 4.01Å; F215-F259 AromaticContact CD2-CZ 3.61Å; F215-F259 HydrophobicContact CD2-CZ 3.61Å; F215-F259 AromaticContact CE1-CE2 3.9Å; F215-F259 HydrophobicContact CE1-CE2 3.9Å; F215-F259 AromaticContact CE1-CZ 3.42Å; F215-F259 HydrophobicContact CE1-CZ 3.42Å; F215-F259 VanDerWaalsContact CE1-CZ 3.42Å; F215-F259 AromaticContact CE2-CE2 3.69Å; F215-F259 HydrophobicContact CE2-CE2 3.69Å; F215-F259 AromaticContact CE2-CZ 3.71Å; F215-F259 HydrophobicContact CE2-CZ 3.71Å; F215-F259 AromaticContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE2 4.26Å; F215-F259 AromaticContact CG-CZ 3.43Å; F215-F259 HydrophobicContact CG-CZ 3.43Å; F215-F259 VanDerWaalsContact CG-CZ 3.43Å; F215-F259 AromaticContact CZ-CE2 3.62Å; F215-F259 HydrophobicContact CZ-CE2 3.62Å; F215-F259 AromaticContact CZ-CZ 3.61Å; F215-F259 HydrophobicContact CZ-CZ 3.61Å
216E92.9Very high95.7Very high168 Ų16844.4 Ų44.479%0.78523%0.232SC*.THydrogen-bonded Turntrans-73.4137.1178.6-173.3173.6-167.100111.8K35 C214 V218K35-E216 PolarHBondContact NZ-O 2.93Å; C214-E216 PolarHBondContact O-N 3.44Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 3.02Å
217G91.2Very high95.8Very high62 Ų6240.8 Ų40.864%0.63921%0.207SC*.THydrogen-bonded Turntrans62.726.5172.100000115.1K35 T219K35-G217 WeakPolarHBondContact CB-O 3.23Å; K35-G217 VanDerWaalsContact CD-O 3.31Å; K35-G217 WeakPolarHBondContact CD-O 3.46Å; G217-T219 PolarHBondContact O-N 2.69Å
218V95.1Very high95.9Very high12 Ų1239.9 Ų39.97%0.07320%0.203CC..  trans-75121.4177.1-179.40000109.6K35 L37 C214 E216 C220 I221 F259 T262K35-V218 HydrophobicContact CD-CG2 4.21Å; L37-V218 HydrophobicContact CB-CG1 3.77Å; L37-V218 HydrophobicContact CB-CG2 4.14Å; L37-V218 HydrophobicContact CD2-CG2 3.96Å; C214-V218 WeakPolarHBondContact O-CG2 3.34Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 3.02Å; V218-C220 WeakPolarHBondContact CG1-O 3.49Å; V218-I221 HydrophobicContact CG1-CG1 3.9Å; V218-F259 HydrophobicContact CB-CE1 4.45Å; V218-F259 HydrophobicContact CG2-CE1 4.25Å; V218-T262 HydrophobicContact CB-CG2 4.14Å; V218-T262 HydrophobicContact CG1-CG2 3.72Å; V218-T262 WeakPolarHBondContact O-CG2 3.25Å; V218-T262 PolarHBondContact O-OG1 3.14Å
219T93.3Very high96Very high27 Ų2738.1 Ų38.117%0.16620%0.198CC..SBendtrans-75.8-48.6175.3-47.50000110.6V34 K35 G217 I343V34-T219 HydrophobicContact CG1-CG2 3.92Å; K35-T219 PolarHBondContact N-OG1 3.06Å; K35-T219 WeakPolarHBondContact O-CB 3.45Å; K35-T219 PolarHBondContact O-N 2.67Å; G217-T219 PolarHBondContact O-N 2.69Å; T219-I343 HydrophobicContact CG2-CG2 3.93Å
220C95.4Very high96.2Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-145.6140.61801760000111.4K35 L36 L37 V218 S263 I343K35-C220 PolarHBondContact O-N 3.03Å; L36-C220 WeakPolarHBondContact CA-O 3.44Å; L36-C220 HydrophobicContact CD2-CB 3.73Å; L37-C220 PolarHBondContact N-O 3.11Å; V218-C220 WeakPolarHBondContact CG1-O 3.49Å; C220-S263 WeakPolarHBondContact CA-O 3.38Å; C220-I343 HydrophobicContact CB-CD1 3.7Å; C220-I343 HydrophobicContact CB-CG1 3.86Å
221I97.4Very high96.3Very high0 Ų026.4 Ų26.40%015%0.148CC..EExtended strand (participates in β ladder)trans-98.3129.6169.8-63.8168.4000108.7L37 L39 V218 F223 I253 F259 T262 S263 I264 V265L37-I221 HydrophobicContact CB-CG1 4.44Å; L37-I221 WeakPolarHBondContact O-CA 3.24Å; L39-I221 HydrophobicContact CB-CG2 4.33Å; L39-I221 HydrophobicContact CD1-CD1 4.38Å; L39-I221 HydrophobicContact CD1-CG2 3.95Å; L39-I221 HydrophobicContact CG-CG2 4.23Å; V218-I221 HydrophobicContact CG1-CG1 3.9Å; I221-F223 HydrophobicContact CG2-CB 4.5Å; I221-I253 HydrophobicContact CD1-CG2 4.05Å; I221-I253 HydrophobicContact CG2-CG2 4.36Å; I221-F259 HydrophobicContact CD1-CB 4Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.41Å; I221-F259 VanDerWaalsContact CD1-CD2 3.41Å; I221-F259 HydrophobicContact CD1-CE1 3.74Å; I221-F259 HydrophobicContact CD1-CE2 3.57Å; I221-F259 HydrophobicContact CD1-CG 3.4Å; I221-F259 HydrophobicContact CD1-CZ 3.69Å; I221-F259 HydrophobicContact CG1-CE1 4.47Å; I221-T262 HydrophobicContact CD1-CG2 4.13Å; I221-T262 HydrophobicContact CG1-CG2 3.9Å; I221-S263 PolarHBondContact N-O 3.11Å; I221-I264 HydrophobicContact CB-CG1 4.21Å; I221-I264 HydrophobicContact CD1-CD1 4.41Å; I221-I264 HydrophobicContact CD1-CG1 4.34Å; I221-I264 WeakPolarHBondContact O-CA 3.32Å; I221-V265 PolarHBondContact O-N 3.47Å
222I98.1Very high96.3Very high0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-103.7109.3163.8-60.8166.2000107.1L36 L37 L38 L39 V265 F267 F336L36-I222 HydrophobicContact CD1-CD1 4.31Å; L37-I222 PolarHBondContact O-N 2.73Å; L38-I222 WeakPolarHBondContact CA-O 3.47Å; L38-I222 HydrophobicContact CD2-CB 3.65Å; L38-I222 HydrophobicContact CD2-CD1 3.95Å; L38-I222 HydrophobicContact CD2-CG1 4.32Å; L38-I222 HydrophobicContact CD2-CG2 4.1Å; L39-I222 PolarHBondContact N-O 3.37Å; I222-V265 CarbonylContact C-O 3.59Å; I222-V265 WeakPolarHBondContact CA-O 3.45Å; I222-F267 HydrophobicContact CD1-CZ 4.46Å; I222-F267 HydrophobicContact CG2-CB 4.36Å; I222-F267 HydrophobicContact CG2-CD1 3.94Å; I222-F267 HydrophobicContact CG2-CD2 3.58Å; I222-F267 HydrophobicContact CG2-CE1 4.07Å; I222-F267 HydrophobicContact CG2-CE2 3.72Å; I222-F267 HydrophobicContact CG2-CG 3.69Å; I222-F267 HydrophobicContact CG2-CZ 3.95Å; I222-F336 HydrophobicContact CD1-CE2 4.34Å
223F98.7Very high96.5Very high0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-92.5114.8175.6-168.8-83.3000109.9L39 I221 A225 L249 F250 I253 V265 L266 F267 F307L39-F223 HydrophobicContact CB-CD2 3.95Å; L39-F223 HydrophobicContact CB-CE2 4.47Å; L39-F223 CarbonylContact O-C 3.59Å; L39-F223 WeakPolarHBondContact O-CA 3.27Å; I221-F223 HydrophobicContact CG2-CB 4.5Å; F223-A225 HydrophobicContact CD1-CB 4.46Å; F223-A225 HydrophobicContact CE1-CB 4.24Å; F223-L249 HydrophobicContact CE2-CD2 4.06Å; F223-L249 HydrophobicContact CE2-CG 3.91Å; F223-L249 HydrophobicContact CZ-CB 4.2Å; F223-L249 HydrophobicContact CZ-CD2 3.91Å; F223-L249 HydrophobicContact CZ-CG 3.94Å; F223-F250 HydrophobicContact CB-CD2 4.01Å; F223-F250 HydrophobicContact CB-CE2 4.04Å; F223-F250 HydrophobicContact CD1-CB 4.39Å; F223-F250 AromaticContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CE2 4.26Å; F223-F250 HydrophobicContact CD1-CG 4.38Å; F223-F250 AromaticContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CE1-CB 3.83Å; F223-F250 AromaticContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CG 4.3Å; F223-F250 HydrophobicContact CE2-CB 4.14Å; F223-F250 HydrophobicContact CE2-CD2 4.11Å; F223-F250 AromaticContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CE2 4.07Å; F223-F250 HydrophobicContact CZ-CB 3.68Å; F223-F250 HydrophobicContact CZ-CD2 4.14Å; F223-F250 HydrophobicContact CZ-CG 4.44Å; F223-I253 HydrophobicContact CD2-CG1 4.49Å; F223-I253 HydrophobicContact CD2-CG2 4.47Å; F223-I253 HydrophobicContact CE2-CG1 4.23Å; F223-V265 PolarHBondContact N-O 3.15Å; F223-L266 HydrophobicContact CD1-CD1 3.89Å; F223-F267 PolarHBondContact O-N 3.29Å; F223-F307 HydrophobicContact CE1-CE1 4.17Å
224C98.7Very high96.6Very high0 Ų018.8 Ų18.80%012%0.115CC..EExtended strand (participates in β ladder)trans-93.8121.2176.4-600000110.7L39 G40 S44 K46 F267L39-C224 PolarHBondContact O-N 2.66Å; G40-C224 WeakPolarHBondContact CA-O 3.29Å; S44-C224 WeakPolarHBondContact CB-O 3.36Å; S44-C224 WeakPolarHBondContact OG-CB 3.49Å; S44-C224 PolarHBondContact OG-O 3.34Å; K46-C224 HydrophobicContact CG-CB 3.94Å; C224-F267 WeakPolarHBondContact CA-O 3.1Å
225A98.8Very high96.5Very high1 Ų122.4 Ų22.41%0.00814%0.137CC..EExtended strand (participates in β ladder)trans-116134.9170.100000109.5F223 S246 L266 F267 L268 N269 F307F223-A225 HydrophobicContact CD1-CB 4.46Å; F223-A225 HydrophobicContact CE1-CB 4.24Å; A225-S246 WeakPolarHBondContact CB-OG 3.49Å; A225-L266 HydrophobicContact CB-CD1 4.35Å; A225-F267 PolarHBondContact N-O 3.04Å; A225-L268 HydrophobicContact CB-CD2 4.32Å; A225-L268 CarbonylContact O-C 3.47Å; A225-N269 PolarHBondContact O-N 3.31Å; A225-F307 HydrophobicContact CB-CE1 4.01Å; A225-F307 HydrophobicContact CB-CE2 4.06Å; A225-F307 HydrophobicContact CB-CZ 3.56Å
226A98.5Very high96.5Very high11 Ų1125.4 Ų25.49%0.09115%0.151CC..EExtended strand (participates in β ladder)trans-86.1112.6176.800000110.2S228 A229 M243 K270A226-S228 VanDerWaalsContact C-N 3.26Å; A226-S228 PolarHBondContact O-N 3.47Å; A226-A229 HydrophobicContact CB-CB 3.95Å; A226-A229 WeakPolarHBondContact O-CB 3.26Å; A226-A229 PolarHBondContact O-N 2.82Å; A226-M243 VanDerWaalsContact O-CE 3.23Å; A226-M243 WeakPolarHBondContact O-CE 3.4Å; A226-K270 HydrophobicContact CB-CD 3.91Å
227L98.6Very high96.6Very high0 Ų019.7 Ų19.70%013%0.126CC..G310 helixtrans-59.6-40.3174.1-73.9172.6000111.4A229 Y230 L268 N269 K271 F274 I303L227-A229 PolarHBondContact O-N 3.3Å; L227-Y230 WeakPolarHBondContact O-CD1 3.14Å; L227-L268 HydrophobicContact CD1-CB 3.92Å; L227-L268 HydrophobicContact CD2-CB 4Å; L227-L268 HydrophobicContact CD2-CD2 4.09Å; L227-L268 HydrophobicContact CD2-CG 4.42Å; L227-L268 HydrophobicContact CG-CB 3.86Å; L227-N269 WeakPolarHBondContact CB-O 3.33Å; L227-N269 PolarHBondContact N-O 3.14Å; L227-K271 HydrophobicContact CD1-CB 4.19Å; L227-F274 HydrophobicContact CB-CB 3.61Å; L227-F274 HydrophobicContact CB-CD1 4.14Å; L227-F274 HydrophobicContact CB-CD2 3.98Å; L227-F274 HydrophobicContact CB-CG 3.64Å; L227-F274 HydrophobicContact CD1-CD1 4.15Å; L227-F274 HydrophobicContact CD1-CG 4.44Å; L227-F274 WeakPolarHBondContact O-CD2 3.17Å; L227-I303 HydrophobicContact CD2-CB 4.13Å; L227-I303 HydrophobicContact CD2-CD1 3.93Å; L227-I303 HydrophobicContact CD2-CG2 3.78Å
228S97.7Very high96.7Very high1 Ų124 Ų241%0.00713%0.129CC..G310 helixtrans-66.3-5.5-17863.20000115.3A226 K270 K277A226-S228 VanDerWaalsContact C-N 3.26Å; A226-S228 PolarHBondContact O-N 3.47Å; S228-K270 VanDerWaalsContact OG-CD 3.27Å; S228-K270 WeakPolarHBondContact OG-CD 3.33Å; S228-K277 PolarHBondContact O-NZ 3.24Å
229A97.6Very high96.8Very high8 Ų832.2 Ų32.27%0.06617%0.167CC..G310 helixtrans-93.33.4-17500000114.1A226 L227 D231 M232 R242A226-A229 HydrophobicContact CB-CB 3.95Å; A226-A229 WeakPolarHBondContact O-CB 3.26Å; A226-A229 PolarHBondContact O-N 2.82Å; L227-A229 PolarHBondContact O-N 3.3Å; A229-D231 VanDerWaalsContact C-N 3.26Å; A229-D231 PolarHBondContact O-N 3.17Å; A229-M232 PolarHBondContact O-N 2.84Å; A229-R242 HydrophobicContact CB-CB 3.8Å
230Y98.2Very high97Very high0 Ų032.7 Ų32.70%017%0.17CC..THydrogen-bonded Turntrans-62.3-27.1-175.275.5-83.3000114.4L227 N241 F274 K277 V278 V281 L283 I285 C286L227-Y230 WeakPolarHBondContact O-CD1 3.14Å; Y230-N241 PolarHBondContact O-ND2 3.46Å; Y230-F274 AromaticContact CD1-CD2 3.79Å; Y230-F274 HydrophobicContact CD1-CD2 3.79Å; Y230-F274 AromaticContact CD1-CE2 3.78Å; Y230-F274 HydrophobicContact CD1-CE2 3.78Å; Y230-F274 AromaticContact CE1-CD2 3.78Å; Y230-F274 HydrophobicContact CE1-CD2 3.78Å; Y230-F274 AromaticContact CE1-CE2 3.82Å; Y230-F274 HydrophobicContact CE1-CE2 3.82Å; Y230-K277 HydrophobicContact CE1-CB 4.1Å; Y230-K277 VanDerWaalsContact OH-C 3.24Å; Y230-K277 PolarHBondContact OH-O 2.94Å; Y230-K277 VanDerWaalsContact OH-O 3.09Å; Y230-V278 WeakPolarHBondContact OH-CA 3.25Å; Y230-V278 PolarHBondContact OH-N 3.22Å; Y230-V281 HydrophobicContact CE2-CB 4.37Å; Y230-V281 HydrophobicContact CE2-CG1 4.21Å; Y230-V281 PolarHBondContact OH-O 3.49Å; Y230-L283 HydrophobicContact CD2-CD1 3.99Å; Y230-L283 HydrophobicContact CG-CD1 4.23Å; Y230-I285 HydrophobicContact CD2-CG2 3.99Å; Y230-I285 HydrophobicContact CE2-CG2 4.07Å; Y230-C286 HydrophobicContact CD2-CB 4.33Å; Y230-C286 VanDerWaalsContact O-CB 3.23Å; Y230-C286 WeakPolarHBondContact O-CB 3.22Å
231D97.5Very high97.1Very high17 Ų1734 Ų349%0.09118%0.177CC..THydrogen-bonded Turntrans-107.821.9-179.864.6-24.5000111.9S144 A229 K277 V281 I285S144-D231 VanDerWaalsContact CB-OD2 3.24Å; S144-D231 WeakPolarHBondContact CB-OD2 3.49Å; S144-D231 PolarHBondContact OG-OD2 3.38Å; A229-D231 VanDerWaalsContact C-N 3.26Å; A229-D231 PolarHBondContact O-N 3.17Å; D231-K277 VanDerWaalsContact CG-CE 3.41Å; D231-K277 VanDerWaalsContact CG-NZ 3.27Å; D231-K277 WeakPolarHBondContact OD1-CE 3.41Å; D231-K277 IonicContact OD1-NZ 4Å; D231-K277 PolarHBondContact OD1-NZ 3.23Å; D231-K277 WeakPolarHBondContact OD2-CE 3.29Å; D231-K277 IonicContact OD2-NZ 3.85Å; D231-K277 PolarHBondContact OD2-NZ 2.89Å; D231-V281 HydrophobicContact CB-CG1 4.12Å; D231-I285 HydrophobicContact CB-CG2 4.15Å
232M97.4Very high97.1Very high10 Ų1035.2 Ų35.25%0.04918%0.181CC..  trans-123.5152.8-177.6-61.2179.675.500111.7A229 N241 R242A229-M232 PolarHBondContact O-N 2.84Å; M232-N241 CarbonylContact O-C 3.59Å; M232-N241 WeakPolarHBondContact O-CA 3.36Å; M232-R242 HydrophobicContact CB-CG 4.1Å; M232-R242 PolarHBondContact O-N 2.9Å
233V97.3Very high97.1Very high52 Ų5235.3 Ų35.332%0.31518%0.182SC..BIsolated β-bridgetrans-103.3158.7172.3-600000112Q147 E238 V240 R242Q147-V233 PolarHBondContact NE2-O 2.91Å; V233-E238 WeakPolarHBondContact CG1-O 3.28Å; V233-E238 HydrophobicContact CG2-CB 4.36Å; V233-V240 CarbonylContact C-O 3.46Å; V233-V240 VanDerWaalsContact CA-O 3.28Å; V233-V240 WeakPolarHBondContact CA-O 3.23Å; V233-R242 VanDerWaalsContact C-CG 3.43Å; V233-R242 WeakPolarHBondContact O-CG 3.48Å; V233-R242 PolarHBondContact O-NE 3.3Å
234L96.1Very high97.1Very high8 Ų839.3 Ų39.34%0.04220%0.2CC..  trans-66.1149.4179.1-65.4172.8000111.3E236 D237 V240 R242 E245L234-E236 VanDerWaalsContact C-N 3.26Å; L234-D237 HydrophobicContact CB-CB 4.3Å; L234-D237 WeakPolarHBondContact CB-O 3.39Å; L234-D237 HydrophobicContact CD1-CB 4.3Å; L234-D237 PolarHBondContact N-O 2.73Å; L234-D237 CarbonylContact O-C 3.58Å; L234-D237 PolarHBondContact O-N 3.48Å; L234-V240 HydrophobicContact CD1-CB 3.91Å; L234-V240 HydrophobicContact CD1-CG1 3.65Å; L234-V240 HydrophobicContact CG-CB 4.4Å; L234-V240 HydrophobicContact CG-CG1 4.25Å; L234-V240 PolarHBondContact N-O 3Å; L234-R242 HydrophobicContact CD2-CB 4.37Å; L234-R242 HydrophobicContact CD2-CG 3.91Å; L234-R242 HydrophobicContact CG-CG 4.36Å; L234-E245 HydrophobicContact CD1-CB 3.9Å; L234-E245 HydrophobicContact CD1-CG 3.73Å; L234-E245 HydrophobicContact CD2-CB 4.05Å; L234-E245 HydrophobicContact CD2-CG 3.88Å; L234-E245 HydrophobicContact CG-CB 4.27Å; L234-E245 HydrophobicContact CG-CG 4.35Å
235V93.5Very high97.1Very high78 Ų7839.9 Ų39.947%0.47320%0.203SC..SBendtrans-67-36.3168.2179.60000109.8Q147 D237Q147-V235 HydrophobicContact CB-CG2 4.49Å; Q147-V235 HydrophobicContact CG-CG2 4.02Å; Q147-V235 VanDerWaalsContact OE1-CG2 3.22Å; V235-D237 VanDerWaalsContact C-N 3.29Å; V235-D237 PolarHBondContact O-N 2.94Å
236E94.8Very high97.1Very high78 Ų7840.1 Ų40.136%0.36420%0.204SC..SBendtrans-75.9-15.1-178.6-58.9100.2132.800113.9Q204 R205 L234Q204-E236 WeakPolarHBondContact CA-OE1 3.46Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.31Å; R205-E236 PolarHBondContact N-OE1 3.3Å; L234-E236 VanDerWaalsContact C-N 3.26Å
237D95.4Very high97.1Very high48 Ų4840.3 Ų40.326%0.25720%0.204SC..  trans-165.797.6-169.6-166.4-19000110.9R205 L234 V235 E239 V240R205-D237 IonicContact CZ-OD2 2.62Å; R205-D237 IonicContact NH1-OD2 3.17Å; R205-D237 PolarHBondContact NH1-OD2 3.1Å; R205-D237 IonicContact NH2-OD2 3.93Å; L234-D237 HydrophobicContact CB-CB 4.3Å; L234-D237 WeakPolarHBondContact CB-O 3.39Å; L234-D237 HydrophobicContact CD1-CB 4.3Å; L234-D237 PolarHBondContact N-O 2.73Å; L234-D237 CarbonylContact O-C 3.58Å; L234-D237 PolarHBondContact O-N 3.48Å; V235-D237 VanDerWaalsContact C-N 3.29Å; V235-D237 PolarHBondContact O-N 2.94Å; D237-E239 PolarHBondContact O-N 3.01Å; D237-E239 PolarHBondContact OD1-N 3.41Å; D237-V240 HydrophobicContact CB-CB 4.24Å; D237-V240 HydrophobicContact CB-CG2 4.21Å; D237-V240 VanDerWaalsContact CG-CG2 3.47Å; D237-V240 PolarHBondContact O-N 3.5Å; D237-V240 VanDerWaalsContact O-N 3.14Å; D237-V240 VanDerWaalsContact OD2-CG2 3.27Å; D237-V240 WeakPolarHBondContact OD2-CG2 3.17Å
238E93.8Very high97.1Very high153 Ų15346.5 Ų46.572%0.71523%0.232SC*.THydrogen-bonded Turntrans-71-7.9-174.2-65.6-177.9176.200113.5V233V233-E238 WeakPolarHBondContact CG1-O 3.28Å; V233-E238 HydrophobicContact CG2-CB 4.36Å
239E95.7Very high97.1Very high185 Ų18546.8 Ų46.886%0.86423%0.234SC*.THydrogen-bonded Turntrans-90-11.2174.4-59.4-169.514500112.5D237D237-E239 PolarHBondContact O-N 3.01Å; D237-E239 PolarHBondContact OD1-N 3.41Å
240V97Very high97.2Very high37 Ų3746.4 Ų46.422%0.22423%0.231CC..SBendtrans-108.1119.5-174177.60000111.2V233 L234 D237 E245V233-V240 CarbonylContact C-O 3.46Å; V233-V240 VanDerWaalsContact CA-O 3.28Å; V233-V240 WeakPolarHBondContact CA-O 3.23Å; L234-V240 HydrophobicContact CD1-CB 3.91Å; L234-V240 HydrophobicContact CD1-CG1 3.65Å; L234-V240 HydrophobicContact CG-CB 4.4Å; L234-V240 HydrophobicContact CG-CG1 4.25Å; L234-V240 PolarHBondContact N-O 3Å; D237-V240 HydrophobicContact CB-CB 4.24Å; D237-V240 HydrophobicContact CB-CG2 4.21Å; D237-V240 VanDerWaalsContact CG-CG2 3.47Å; D237-V240 PolarHBondContact O-N 3.5Å; D237-V240 VanDerWaalsContact O-N 3.14Å; D237-V240 VanDerWaalsContact OD2-CG2 3.27Å; D237-V240 WeakPolarHBondContact OD2-CG2 3.17Å; V240-E245 HydrophobicContact CG1-CB 4.11Å
241N98Very high97.2Very high27 Ų2749.3 Ų49.314%0.14425%0.246CC..BIsolated β-bridgetrans-63.7134.2171.6-178.2-75.4000111.6Y230 M232 M243 H244 E245Y230-N241 PolarHBondContact O-ND2 3.46Å; M232-N241 CarbonylContact O-C 3.59Å; M232-N241 WeakPolarHBondContact O-CA 3.36Å; N241-M243 VanDerWaalsContact C-N 3.34Å; N241-M243 PolarHBondContact O-N 3.48Å; N241-M243 WeakPolarHBondContact OD1-CA 3.45Å; N241-M243 VanDerWaalsContact OD1-CB 3.29Å; N241-M243 WeakPolarHBondContact OD1-CB 3.43Å; N241-M243 PolarHBondContact OD1-N 2.8Å; N241-H244 HydrophobicContact CB-CB 4.26Å; N241-H244 PolarHBondContact O-N 2.9Å; N241-H244 PolarHBondContact OD1-N 2.63Å; N241-E245 PolarHBondContact O-N 2.8Å
242R98Very high97.1Very high26 Ų2651 Ų5110%0.09826%0.26CS..Hα-helixtrans-64.2-34.3-176.1-65.6-166.4174.8-159.1-2.4113.6E43 A229 M232 V233 L234 S246E43-R242 IonicContact OE2-CZ 3.49Å; E43-R242 IonicContact OE2-NH1 3.9Å; E43-R242 PolarHBondContact OE2-NH1 2.86Å; E43-R242 IonicContact OE2-NH2 2.65Å; E43-R242 PolarHBondContact OE2-NH2 3.22Å; A229-R242 HydrophobicContact CB-CB 3.8Å; M232-R242 HydrophobicContact CB-CG 4.1Å; M232-R242 PolarHBondContact O-N 2.9Å; V233-R242 VanDerWaalsContact C-CG 3.43Å; V233-R242 WeakPolarHBondContact O-CG 3.48Å; V233-R242 PolarHBondContact O-NE 3.3Å; L234-R242 HydrophobicContact CD2-CB 4.37Å; L234-R242 HydrophobicContact CD2-CG 3.91Å; L234-R242 HydrophobicContact CG-CG 4.36Å; R242-S246 WeakPolarHBondContact O-CB 3.31Å; R242-S246 PolarHBondContact O-N 3.14Å
243M98.5Very high97.1Very high2 Ų250.9 Ų50.91%0.0126%0.259CS..Hα-helixtrans-70-42176.9-178.561.871.100111.1A226 N241 S246 L247 F287 I303 F307A226-M243 VanDerWaalsContact O-CE 3.23Å; A226-M243 WeakPolarHBondContact O-CE 3.4Å; N241-M243 VanDerWaalsContact C-N 3.34Å; N241-M243 PolarHBondContact O-N 3.48Å; N241-M243 WeakPolarHBondContact OD1-CA 3.45Å; N241-M243 VanDerWaalsContact OD1-CB 3.29Å; N241-M243 WeakPolarHBondContact OD1-CB 3.43Å; N241-M243 PolarHBondContact OD1-N 2.8Å; M243-S246 CarbonylContact O-C 3.56Å; M243-S246 WeakPolarHBondContact O-CA 3.27Å; M243-S246 WeakPolarHBondContact O-CB 3.3Å; M243-S246 PolarHBondContact O-N 3.44Å; M243-S246 VanDerWaalsContact O-N 3.1Å; M243-L247 HydrophobicContact CG-CD1 4.43Å; M243-L247 WeakPolarHBondContact O-CG 3.38Å; M243-L247 PolarHBondContact O-N 3.42Å; M243-F287 HydrophobicContact CG-CE2 4.02Å; M243-F287 HydrophobicContact CG-CZ 3.71Å; M243-I303 HydrophobicContact CE-CD1 4.24Å; M243-I303 HydrophobicContact CE-CG2 3.97Å; M243-I303 HydrophobicContact SD-CG2 3.97Å; M243-F307 HydrophobicContact SD-CE2 3.6Å; M243-F307 HydrophobicContact SD-CZ 3.85Å
244H98.5Very high97.1Very high83 Ų8348.6 Ų48.638%0.38425%0.246SC..Hα-helixtrans-62.6-41.3173.9-77.3-52.6000112.5N241 S246 L247 H248 C286N241-H244 HydrophobicContact CB-CB 4.26Å; N241-H244 PolarHBondContact O-N 2.9Å; N241-H244 PolarHBondContact OD1-N 2.63Å; H244-S246 VanDerWaalsContact C-N 3.29Å; H244-S246 PolarHBondContact O-N 2.99Å; H244-L247 PolarHBondContact O-N 3.39Å; H244-H248 WeakPolarHBondContact O-CB 3.43Å; H244-H248 PolarHBondContact O-N 3.41Å; H244-C286 PolarHBondContact NE2-O 3.43Å
245E98.3Very high97.1Very high13 Ų1350.2 Ų50.26%0.06125%0.254CS..Hα-helixtrans-58.4-42.5170.7176.572.9-178.800111.6R205 R208 L234 V240 N241 H248 L249R205-E245 IonicContact CZ-OE1 3.19Å; R205-E245 IonicContact CZ-OE2 3.78Å; R205-E245 IonicContact NE-OE1 2.93Å; R205-E245 PolarHBondContact NE-OE1 2.89Å; R205-E245 IonicContact NE-OE2 3.88Å; R205-E245 IonicContact NH2-OE1 2.7Å; R205-E245 IonicContact NH2-OE2 2.57Å; R205-E245 PolarHBondContact NH2-OE2 3.41Å; R208-E245 IonicContact CZ-OE1 3.06Å; R208-E245 IonicContact NH1-OE1 3.93Å; R208-E245 PolarHBondContact NH1-OE1 3.22Å; R208-E245 IonicContact NH2-OE1 2.74Å; R208-E245 PolarHBondContact NH2-OE1 3.43Å; L234-E245 HydrophobicContact CD1-CB 3.9Å; L234-E245 HydrophobicContact CD1-CG 3.73Å; L234-E245 HydrophobicContact CD2-CB 4.05Å; L234-E245 HydrophobicContact CD2-CG 3.88Å; L234-E245 HydrophobicContact CG-CB 4.27Å; L234-E245 HydrophobicContact CG-CG 4.35Å; V240-E245 HydrophobicContact CG1-CB 4.11Å; N241-E245 PolarHBondContact O-N 2.8Å; E245-H248 PolarHBondContact O-N 3.23Å; E245-L249 WeakPolarHBondContact O-CB 3.48Å; E245-L249 PolarHBondContact O-N 3.13Å
246S98.7Very high97.2Very high5 Ų549.2 Ų49.24%0.03524%0.244CC..Hα-helixtrans-65.8-39.8178.5-168.90000112.1A225 R242 M243 H244 F250A225-S246 WeakPolarHBondContact CB-OG 3.49Å; R242-S246 WeakPolarHBondContact O-CB 3.31Å; R242-S246 PolarHBondContact O-N 3.14Å; M243-S246 CarbonylContact O-C 3.56Å; M243-S246 WeakPolarHBondContact O-CA 3.27Å; M243-S246 WeakPolarHBondContact O-CB 3.3Å; M243-S246 PolarHBondContact O-N 3.44Å; M243-S246 VanDerWaalsContact O-N 3.1Å; H244-S246 VanDerWaalsContact C-N 3.29Å; H244-S246 PolarHBondContact O-N 2.99Å; S246-F250 WeakPolarHBondContact O-CB 3.4Å; S246-F250 PolarHBondContact O-N 2.85Å
247L98.8Very high97.1Very high16 Ų1653.1 Ų53.18%0.08426%0.26CS..Hα-helixtrans-64.2-49.1174.4-75.5166.7000111.4M243 H244 L249 F250 N251 F287 Q306 F307 L310M243-L247 HydrophobicContact CG-CD1 4.43Å; M243-L247 WeakPolarHBondContact O-CG 3.38Å; M243-L247 PolarHBondContact O-N 3.42Å; H244-L247 PolarHBondContact O-N 3.39Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.35Å; L247-F250 PolarHBondContact O-N 3.06Å; L247-N251 WeakPolarHBondContact O-CB 3.37Å; L247-N251 PolarHBondContact O-N 3.15Å; L247-F287 HydrophobicContact CD1-CE1 3.69Å; L247-F287 HydrophobicContact CD1-CZ 3.83Å; L247-Q306 HydrophobicContact CD1-CB 4.47Å; L247-Q306 HydrophobicContact CD2-CB 3.95Å; L247-F307 HydrophobicContact CD2-CB 4.45Å; L247-F307 HydrophobicContact CD2-CD1 3.8Å; L247-F307 HydrophobicContact CD2-CD2 3.73Å; L247-F307 HydrophobicContact CD2-CE1 3.84Å; L247-F307 HydrophobicContact CD2-CE2 3.77Å; L247-F307 HydrophobicContact CD2-CG 3.73Å; L247-F307 HydrophobicContact CD2-CZ 3.81Å; L247-F307 HydrophobicContact CG-CE1 4.26Å; L247-F307 HydrophobicContact CG-CE2 4.23Å; L247-F307 HydrophobicContact CG-CZ 4Å; L247-L310 HydrophobicContact CB-CD1 4.09Å; L247-L310 HydrophobicContact CD2-CD1 3.71Å; L247-L310 VanDerWaalsContact O-CD1 3.32Å; L247-L310 WeakPolarHBondContact O-CD1 3.15Å
248H98.3Very high97Very high129 Ų12956.9 Ų56.960%0.59727%0.272SS*.Hα-helixtrans-57.3-45.6176.2175.2-86.7000111.3H244 E245 N251 S252H244-H248 WeakPolarHBondContact O-CB 3.43Å; H244-H248 PolarHBondContact O-N 3.41Å; E245-H248 PolarHBondContact O-N 3.23Å; H248-N251 PolarHBondContact O-N 3.37Å; H248-S252 PolarHBondContact O-N 3.2Å; H248-S252 VanDerWaalsContact O-N 3.16Å
249L98Very high97.1Very high7 Ų749.6 Ų49.64%0.03724%0.238CC..Hα-helixtrans-61.9-46.4176.3-177.364.3000111.6A41 W211 F223 E245 L247 N251 S252 I253A41-L249 HydrophobicContact CB-CD2 4.46Å; W211-L249 HydrophobicContact CH2-CD1 3.75Å; W211-L249 HydrophobicContact CH2-CD2 3.69Å; W211-L249 HydrophobicContact CH2-CG 4.15Å; W211-L249 HydrophobicContact CZ3-CD1 3.6Å; W211-L249 HydrophobicContact CZ3-CD2 4.29Å; W211-L249 HydrophobicContact CZ3-CG 4.25Å; F223-L249 HydrophobicContact CE2-CD2 4.06Å; F223-L249 HydrophobicContact CE2-CG 3.91Å; F223-L249 HydrophobicContact CZ-CB 4.2Å; F223-L249 HydrophobicContact CZ-CD2 3.91Å; F223-L249 HydrophobicContact CZ-CG 3.94Å; E245-L249 WeakPolarHBondContact O-CB 3.48Å; E245-L249 PolarHBondContact O-N 3.13Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.35Å; L249-N251 PolarHBondContact O-N 3.03Å; L249-S252 PolarHBondContact O-N 3.33Å; L249-S252 PolarHBondContact O-OG 3.43Å; L249-I253 WeakPolarHBondContact O-CG1 3.4Å; L249-I253 PolarHBondContact O-N 2.91Å
250F98.5Very high96.8Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-60.4-46.2178.4-176.7-105.8000112.1F223 S246 L247 S252 I253 C254 I264 L266 F307 L310 I319F223-F250 HydrophobicContact CB-CD2 4.01Å; F223-F250 HydrophobicContact CB-CE2 4.04Å; F223-F250 HydrophobicContact CD1-CB 4.39Å; F223-F250 AromaticContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CD2 3.54Å; F223-F250 HydrophobicContact CD1-CE2 4.26Å; F223-F250 HydrophobicContact CD1-CG 4.38Å; F223-F250 AromaticContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CD2-CD2 3.82Å; F223-F250 HydrophobicContact CE1-CB 3.83Å; F223-F250 AromaticContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CD2 3.87Å; F223-F250 HydrophobicContact CE1-CG 4.3Å; F223-F250 HydrophobicContact CE2-CB 4.14Å; F223-F250 HydrophobicContact CE2-CD2 4.11Å; F223-F250 AromaticContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CD2 3.51Å; F223-F250 HydrophobicContact CG-CE2 4.07Å; F223-F250 HydrophobicContact CZ-CB 3.68Å; F223-F250 HydrophobicContact CZ-CD2 4.14Å; F223-F250 HydrophobicContact CZ-CG 4.44Å; S246-F250 WeakPolarHBondContact O-CB 3.4Å; S246-F250 PolarHBondContact O-N 2.85Å; L247-F250 PolarHBondContact O-N 3.06Å; F250-S252 PolarHBondContact O-N 2.88Å; F250-I253 PolarHBondContact O-N 3.39Å; F250-C254 HydrophobicContact CD1-CB 4.43Å; F250-C254 HydrophobicContact CE1-CB 4.01Å; F250-C254 HydrophobicContact CE2-CB 4.38Å; F250-C254 HydrophobicContact CZ-CB 4.01Å; F250-C254 PolarHBondContact O-N 3.25Å; F250-C254 PolarHBondContact O-SG 2.59Å; F250-I264 HydrophobicContact CE2-CG2 4.17Å; F250-L266 HydrophobicContact CD2-CD1 4.35Å; F250-L266 HydrophobicContact CE2-CD1 4.12Å; F250-F307 HydrophobicContact CB-CD1 3.64Å; F250-F307 HydrophobicContact CB-CE1 3.7Å; F250-F307 HydrophobicContact CD1-CB 4.28Å; F250-F307 AromaticContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CG 4.47Å; F250-F307 HydrophobicContact CD2-CD1 4.19Å; F250-F307 HydrophobicContact CE1-CB 4.23Å; F250-F307 HydrophobicContact CE1-CD1 4.31Å; F250-F307 WeakPolarHBondContact CE1-O 3.23Å; F250-F307 AromaticContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CE1 4.11Å; F250-L310 HydrophobicContact CD1-CB 4.21Å; F250-L310 HydrophobicContact CD1-CD1 4.03Å; F250-I319 HydrophobicContact CE1-CD1 4.08Å; F250-I319 HydrophobicContact CZ-CD1 3.61Å; F250-I319 HydrophobicContact CZ-CG2 4.07Å
251N98.4Very high96.4Very high61 Ų6148 Ų4833%0.32624%0.243SC..Hα-helixtrans-52.5-43.3175.6-173.429.3000111.7L247 H248 L249 I253 N255 L310L247-N251 WeakPolarHBondContact O-CB 3.37Å; L247-N251 PolarHBondContact O-N 3.15Å; H248-N251 PolarHBondContact O-N 3.37Å; L249-N251 PolarHBondContact O-N 3.03Å; N251-I253 VanDerWaalsContact C-N 3.31Å; N251-I253 PolarHBondContact O-N 2.91Å; N251-N255 WeakPolarHBondContact O-CB 3.41Å; N251-N255 PolarHBondContact O-N 3Å; N251-N255 PolarHBondContact O-ND2 3.34Å; N251-N255 VanDerWaalsContact O-ND2 3.09Å; N251-N255 PolarHBondContact OD1-ND2 3.34Å; N251-L310 HydrophobicContact CB-CB 4.27Å; N251-L310 HydrophobicContact CB-CD1 4.07Å; N251-L310 HydrophobicContact CB-CD2 4.09Å; N251-L310 HydrophobicContact CB-CG 4.37Å
252S97Very high96.2Very high54 Ų5447.2 Ų47.238%0.37824%0.239SC..Hα-helixtrans-66.2-31.7178.478.70000113.5H248 L249 F250 H256H248-S252 PolarHBondContact O-N 3.2Å; H248-S252 VanDerWaalsContact O-N 3.16Å; L249-S252 PolarHBondContact O-N 3.33Å; L249-S252 PolarHBondContact O-OG 3.43Å; F250-S252 PolarHBondContact O-N 2.88Å; S252-H256 WeakPolarHBondContact O-CB 3.28Å
253I97Very high96Very high6 Ų646.5 Ų46.53%0.03124%0.238CC..Hα-helixtrans-85.3-50.5-177.5-65.6-54.5000111.2L39 W211 F215 I221 F223 L249 F250 N251 N255 H256 F259L39-I253 HydrophobicContact CD1-CD1 3.82Å; L39-I253 HydrophobicContact CD1-CG1 4.08Å; L39-I253 HydrophobicContact CD1-CG2 3.75Å; W211-I253 HydrophobicContact CE3-CD1 4.23Å; W211-I253 HydrophobicContact CZ3-CD1 4.1Å; W211-I253 HydrophobicContact CZ3-CG1 4.42Å; F215-I253 HydrophobicContact CZ-CD1 4.28Å; I221-I253 HydrophobicContact CD1-CG2 4.05Å; I221-I253 HydrophobicContact CG2-CG2 4.36Å; F223-I253 HydrophobicContact CD2-CG1 4.49Å; F223-I253 HydrophobicContact CD2-CG2 4.47Å; F223-I253 HydrophobicContact CE2-CG1 4.23Å; L249-I253 WeakPolarHBondContact O-CG1 3.4Å; L249-I253 PolarHBondContact O-N 2.91Å; F250-I253 PolarHBondContact O-N 3.39Å; N251-I253 VanDerWaalsContact C-N 3.31Å; N251-I253 PolarHBondContact O-N 2.91Å; I253-N255 PolarHBondContact O-N 3.41Å; I253-H256 WeakPolarHBondContact O-CB 3.5Å; I253-H256 PolarHBondContact O-N 2.93Å; I253-H256 VanDerWaalsContact O-N 3.08Å; I253-F259 HydrophobicContact CD1-CE2 4.29Å; I253-F259 HydrophobicContact CG2-CD2 4.11Å; I253-F259 HydrophobicContact CG2-CE2 4.14Å
254C96.9Very high95.8Very high5 Ų546.4 Ų46.43%0.03424%0.238CC..Hα-helixtrans-64.6-29.2-174.366.20000112.6F250 I264 I319F250-C254 HydrophobicContact CD1-CB 4.43Å; F250-C254 HydrophobicContact CE1-CB 4.01Å; F250-C254 HydrophobicContact CE2-CB 4.38Å; F250-C254 HydrophobicContact CZ-CB 4.01Å; F250-C254 PolarHBondContact O-N 3.25Å; F250-C254 PolarHBondContact O-SG 2.59Å; C254-I264 HydrophobicContact CB-CD1 3.97Å; C254-I319 HydrophobicContact CB-CD1 3.85Å
255N96.6Very high95.8Very high42 Ų4242.5 Ų42.523%0.22522%0.22CC..THydrogen-bonded Turntrans-98.45.1177.7-59.4-52.9000113.7N251 I253 L310 L312N251-N255 WeakPolarHBondContact O-CB 3.41Å; N251-N255 PolarHBondContact O-N 3Å; N251-N255 PolarHBondContact O-ND2 3.34Å; N251-N255 VanDerWaalsContact O-ND2 3.09Å; N251-N255 PolarHBondContact OD1-ND2 3.34Å; I253-N255 PolarHBondContact O-N 3.41Å; N255-L310 PolarHBondContact ND2-O 3.46Å; N255-L312 HydrophobicContact CB-CD1 4.42Å; N255-L312 WeakPolarHBondContact OD1-CB 3.42Å; N255-L312 WeakPolarHBondContact OD1-CG 3.43Å; N255-L312 PolarHBondContact OD1-N 3.34Å
256H95.1Very high95.8Very high57 Ų5741.9 Ų41.926%0.26422%0.217SC..  trans-69.8136.5-177.7-161.5-108.5000112F215 S252 I253 Y258 F259F215-H256 AromaticContact CD2-CE1 3.74Å; F215-H256 AromaticContact CD2-ND1 3.95Å; F215-H256 AromaticContact CE2-CE1 3.55Å; F215-H256 AromaticContact CE2-ND1 3.76Å; S252-H256 WeakPolarHBondContact O-CB 3.28Å; I253-H256 WeakPolarHBondContact O-CB 3.5Å; I253-H256 PolarHBondContact O-N 2.93Å; I253-H256 VanDerWaalsContact O-N 3.08Å; H256-Y258 VanDerWaalsContact C-N 3.28Å; H256-Y258 AromaticContact CE1-CD2 3.22Å; H256-Y258 WeakPolarHBondContact CE1-CD2 3.49Å; H256-Y258 AromaticContact CE1-CG 3.95Å; H256-Y258 AromaticContact ND1-CD2 3.66Å; H256-Y258 PolarHBondContact ND1-N 3.37Å; H256-Y258 PolarHBondContact O-N 3.38Å; H256-F259 HydrophobicContact CB-CD2 3.75Å; H256-F259 HydrophobicContact CB-CE2 4.43Å; H256-F259 HydrophobicContact CB-CG 4.49Å; H256-F259 CarbonylContact O-C 3.55Å; H256-F259 PolarHBondContact O-N 3.49Å
257K93.4Very high95.8Very high159 Ų15941.8 Ų41.869%0.69122%0.216SC*.G310 helixtrans-60.3-32.1-177.668.4179.7-178.4177.70114.6F259 S260K257-F259 PolarHBondContact O-N 2.95Å; K257-S260 PolarHBondContact O-N 3.34Å; K257-S260 PolarHBondContact O-OG 3.18Å
258Y93.6Very high95.8Very high128 Ų12841 Ų4150%0.50221%0.212SC..G310 helixtrans-69.7-16177.4-77.3-99000112.7I212 F215 H256I212-Y258 HydrophobicContact CD1-CE2 4.29Å; F215-Y258 HydrophobicContact CB-CD1 4.38Å; F215-Y258 HydrophobicContact CD2-CG 4.35Å; H256-Y258 VanDerWaalsContact C-N 3.28Å; H256-Y258 AromaticContact CE1-CD2 3.22Å; H256-Y258 WeakPolarHBondContact CE1-CD2 3.49Å; H256-Y258 AromaticContact CE1-CG 3.95Å; H256-Y258 AromaticContact ND1-CD2 3.66Å; H256-Y258 PolarHBondContact ND1-N 3.37Å; H256-Y258 PolarHBondContact O-N 3.38Å
259F94.2Very high95.8Very high0 Ų035 Ų350%018%0.184CC..G310 helixtrans-114.221.7-176.7-55-41.9000112L37 L39 F215 V218 I221 I253 H256 K257 T261 T262 K317L37-F259 HydrophobicContact CD2-CE1 4.43Å; L37-F259 HydrophobicContact CD2-CZ 4.01Å; L39-F259 HydrophobicContact CD1-CE2 4.27Å; L39-F259 HydrophobicContact CD1-CZ 4.45Å; F215-F259 HydrophobicContact CB-CE1 4.09Å; F215-F259 HydrophobicContact CB-CZ 4.15Å; F215-F259 HydrophobicContact CD1-CE1 4.07Å; F215-F259 HydrophobicContact CD1-CE2 4.22Å; F215-F259 AromaticContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD1-CZ 3.34Å; F215-F259 HydrophobicContact CD2-CE1 4.21Å; F215-F259 HydrophobicContact CD2-CE2 4.01Å; F215-F259 AromaticContact CD2-CZ 3.61Å; F215-F259 HydrophobicContact CD2-CZ 3.61Å; F215-F259 AromaticContact CE1-CE2 3.9Å; F215-F259 HydrophobicContact CE1-CE2 3.9Å; F215-F259 AromaticContact CE1-CZ 3.42Å; F215-F259 HydrophobicContact CE1-CZ 3.42Å; F215-F259 VanDerWaalsContact CE1-CZ 3.42Å; F215-F259 AromaticContact CE2-CE2 3.69Å; F215-F259 HydrophobicContact CE2-CE2 3.69Å; F215-F259 AromaticContact CE2-CZ 3.71Å; F215-F259 HydrophobicContact CE2-CZ 3.71Å; F215-F259 AromaticContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE1 3.88Å; F215-F259 HydrophobicContact CG-CE2 4.26Å; F215-F259 AromaticContact CG-CZ 3.43Å; F215-F259 HydrophobicContact CG-CZ 3.43Å; F215-F259 VanDerWaalsContact CG-CZ 3.43Å; F215-F259 AromaticContact CZ-CE2 3.62Å; F215-F259 HydrophobicContact CZ-CE2 3.62Å; F215-F259 AromaticContact CZ-CZ 3.61Å; F215-F259 HydrophobicContact CZ-CZ 3.61Å; V218-F259 HydrophobicContact CB-CE1 4.45Å; V218-F259 HydrophobicContact CG2-CE1 4.25Å; I221-F259 HydrophobicContact CD1-CB 4Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.41Å; I221-F259 VanDerWaalsContact CD1-CD2 3.41Å; I221-F259 HydrophobicContact CD1-CE1 3.74Å; I221-F259 HydrophobicContact CD1-CE2 3.57Å; I221-F259 HydrophobicContact CD1-CG 3.4Å; I221-F259 HydrophobicContact CD1-CZ 3.69Å; I221-F259 HydrophobicContact CG1-CE1 4.47Å; I253-F259 HydrophobicContact CD1-CE2 4.29Å; I253-F259 HydrophobicContact CG2-CD2 4.11Å; I253-F259 HydrophobicContact CG2-CE2 4.14Å; H256-F259 HydrophobicContact CB-CD2 3.75Å; H256-F259 HydrophobicContact CB-CE2 4.43Å; H256-F259 HydrophobicContact CB-CG 4.49Å; H256-F259 CarbonylContact O-C 3.55Å; H256-F259 PolarHBondContact O-N 3.49Å; K257-F259 PolarHBondContact O-N 2.95Å; F259-T261 PolarHBondContact O-N 3.48Å; F259-T262 HydrophobicContact CD1-CG2 4.47Å; F259-T262 PolarHBondContact O-N 2.98Å; F259-K317 PolarHBondContact O-NZ 3.11Å
260S91Very high95.8Very high57 Ų5736 Ų3640%0.39919%0.188SC..SBendtrans-59.2-35.7-176.952.70000113K257K257-S260 PolarHBondContact O-N 3.34Å; K257-S260 PolarHBondContact O-OG 3.18Å
261T88.7Confident95.8Very high131 Ų13138.5 Ų38.580%0.80420%0.199SC*.SBendtrans-107.9-5.3179.256.70000113.1F259F259-T261 PolarHBondContact O-N 3.48Å
262T92.6Very high95.7Very high10 Ų1038.4 Ų38.46%0.06120%0.198CC..SBendtrans-77.7127.1-177.8-56.60000111V218 I221 F259 K317V218-T262 HydrophobicContact CB-CG2 4.14Å; V218-T262 HydrophobicContact CG1-CG2 3.72Å; V218-T262 WeakPolarHBondContact O-CG2 3.25Å; V218-T262 PolarHBondContact O-OG1 3.14Å; I221-T262 HydrophobicContact CD1-CG2 4.13Å; I221-T262 HydrophobicContact CG1-CG2 3.9Å; F259-T262 HydrophobicContact CD1-CG2 4.47Å; F259-T262 PolarHBondContact O-N 2.98Å; T262-K317 WeakPolarHBondContact O-CE 3.26Å; T262-K317 PolarHBondContact O-NZ 2.91Å
263S93.2Very high95.8Very high12 Ų1237.8 Ų37.88%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-58.2140.3174.1-33.40000111.1C220 I221 E346C220-S263 WeakPolarHBondContact CA-O 3.38Å; I221-S263 PolarHBondContact N-O 3.11Å; S263-E346 WeakPolarHBondContact CB-OE2 3.26Å; S263-E346 PolarHBondContact OG-OE2 3.27Å
264I96.1Very high95.8Very high0 Ų037.5 Ų37.50%019%0.189CC..EExtended strand (participates in β ladder)trans-125.5129.2177.6-59-176.4000109.8I221 F250 C254 I319 Y320I221-I264 HydrophobicContact CB-CG1 4.21Å; I221-I264 HydrophobicContact CD1-CD1 4.41Å; I221-I264 HydrophobicContact CD1-CG1 4.34Å; I221-I264 WeakPolarHBondContact O-CA 3.32Å; F250-I264 HydrophobicContact CE2-CG2 4.17Å; C254-I264 HydrophobicContact CB-CD1 3.97Å; I264-I319 HydrophobicContact CB-CG1 4.37Å; I264-I319 HydrophobicContact CG2-CG2 4.23Å; I264-Y320 PolarHBondContact O-N 2.79Å
265V97.4Very high95.9Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-114.6128.2169.9-172.60000109.4I221 I222 F223 F267 Y320 V339I221-V265 PolarHBondContact O-N 3.47Å; I222-V265 CarbonylContact C-O 3.59Å; I222-V265 WeakPolarHBondContact CA-O 3.45Å; F223-V265 PolarHBondContact N-O 3.15Å; V265-F267 HydrophobicContact CG1-CD1 3.84Å; V265-F267 HydrophobicContact CG1-CE1 3.64Å; V265-Y320 CarbonylContact C-O 3.44Å; V265-Y320 WeakPolarHBondContact CA-O 3.49Å; V265-V339 HydrophobicContact CB-CG2 4.3Å; V265-V339 HydrophobicContact CG1-CG2 3.73Å; V265-V339 HydrophobicContact CG2-CG1 4.03Å; V265-V339 HydrophobicContact CG2-CG2 4Å
266L98.5Very high95.8Very high0 Ų046.8 Ų46.80%023%0.23CC..EExtended strand (participates in β ladder)trans-94.3114174.9176.465.7000110.2F223 A225 F250 L268 F307 I319 Y320 S321 H322F223-L266 HydrophobicContact CD1-CD1 3.89Å; A225-L266 HydrophobicContact CB-CD1 4.35Å; F250-L266 HydrophobicContact CD2-CD1 4.35Å; F250-L266 HydrophobicContact CE2-CD1 4.12Å; L266-L268 HydrophobicContact CD1-CD2 4.29Å; L266-L268 HydrophobicContact CD2-CD1 4.47Å; L266-L268 HydrophobicContact CD2-CD2 3.94Å; L266-L268 HydrophobicContact CD2-CG 4.09Å; L266-L268 HydrophobicContact CG-CD2 4.08Å; L266-L268 HydrophobicContact CG-CG 4.09Å; L266-F307 HydrophobicContact CD1-CD1 4.05Å; L266-F307 HydrophobicContact CD1-CG 4.24Å; L266-F307 HydrophobicContact CD2-CB 3.41Å; L266-F307 VanDerWaalsContact CD2-CB 3.41Å; L266-F307 HydrophobicContact CD2-CD1 4.42Å; L266-F307 HydrophobicContact CD2-CD2 4.39Å; L266-F307 HydrophobicContact CD2-CG 3.85Å; L266-I319 HydrophobicContact CB-CG2 4.14Å; L266-Y320 PolarHBondContact N-O 3.11Å; L266-S321 VanDerWaalsContact O-CA 3.31Å; L266-S321 WeakPolarHBondContact O-CA 3.41Å; L266-H322 PolarHBondContact O-N 3.37Å
267F98.7Very high95.9Very high3 Ų345.8 Ų45.81%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-92.8106.4168.3-78.612.3000109.3I49 I222 F223 C224 A225 V265 N269 H322 T324 V335 V339I49-F267 HydrophobicContact CD1-CD2 4.15Å; I49-F267 HydrophobicContact CD1-CE2 4.1Å; I49-F267 HydrophobicContact CG1-CD2 4.28Å; I49-F267 HydrophobicContact CG1-CE2 4.39Å; I49-F267 HydrophobicContact CG2-CE2 4.5Å; I222-F267 HydrophobicContact CD1-CZ 4.46Å; I222-F267 HydrophobicContact CG2-CB 4.36Å; I222-F267 HydrophobicContact CG2-CD1 3.94Å; I222-F267 HydrophobicContact CG2-CD2 3.58Å; I222-F267 HydrophobicContact CG2-CE1 4.07Å; I222-F267 HydrophobicContact CG2-CE2 3.72Å; I222-F267 HydrophobicContact CG2-CG 3.69Å; I222-F267 HydrophobicContact CG2-CZ 3.95Å; F223-F267 PolarHBondContact O-N 3.29Å; C224-F267 WeakPolarHBondContact CA-O 3.1Å; A225-F267 PolarHBondContact N-O 3.04Å; V265-F267 HydrophobicContact CG1-CD1 3.84Å; V265-F267 HydrophobicContact CG1-CE1 3.64Å; F267-N269 VanDerWaalsContact C-N 3.35Å; F267-N269 PolarHBondContact O-N 2.83Å; F267-H322 HydrophobicContact CD1-CB 4.43Å; F267-T324 HydrophobicContact CB-CG2 4.41Å; F267-T324 HydrophobicContact CD1-CG2 4.25Å; F267-T324 HydrophobicContact CD2-CG2 4.08Å; F267-T324 HydrophobicContact CE2-CG2 4.43Å; F267-T324 HydrophobicContact CG-CG2 4Å; F267-V335 HydrophobicContact CD1-CG1 4.23Å; F267-V335 HydrophobicContact CE1-CG1 3.4Å; F267-V335 VanDerWaalsContact CE1-CG1 3.4Å; F267-V335 HydrophobicContact CE2-CG1 4.4Å; F267-V335 HydrophobicContact CZ-CG1 3.52Å; F267-V339 HydrophobicContact CE1-CG2 3.91Å; F267-V339 HydrophobicContact CZ-CG2 4.19Å
268L98.8Very high96.1Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-83.384.2168.4-65.6174.2000107.9A225 L227 L266 I303 K304 F307 H322 M323 T324A225-L268 HydrophobicContact CB-CD2 4.32Å; A225-L268 CarbonylContact O-C 3.47Å; L227-L268 HydrophobicContact CD1-CB 3.92Å; L227-L268 HydrophobicContact CD2-CB 4Å; L227-L268 HydrophobicContact CD2-CD2 4.09Å; L227-L268 HydrophobicContact CD2-CG 4.42Å; L227-L268 HydrophobicContact CG-CB 3.86Å; L266-L268 HydrophobicContact CD1-CD2 4.29Å; L266-L268 HydrophobicContact CD2-CD1 4.47Å; L266-L268 HydrophobicContact CD2-CD2 3.94Å; L266-L268 HydrophobicContact CD2-CG 4.09Å; L266-L268 HydrophobicContact CG-CD2 4.08Å; L266-L268 HydrophobicContact CG-CG 4.09Å; L268-I303 HydrophobicContact CD2-CG2 4.34Å; L268-K304 HydrophobicContact CD1-CB 3.51Å; L268-K304 HydrophobicContact CD1-CG 3.99Å; L268-F307 HydrophobicContact CD2-CD2 3.93Å; L268-F307 HydrophobicContact CD2-CE2 4.11Å; L268-H322 PolarHBondContact N-O 2.6Å; L268-M323 HydrophobicContact CB-CG 4.37Å; L268-M323 CarbonylContact O-C 3.6Å; L268-M323 WeakPolarHBondContact O-CA 3.22Å; L268-T324 PolarHBondContact O-N 3.07Å
269N98.7Very high96.2Very high2 Ų237.3 Ų37.31%0.01120%0.201CC..EExtended strand (participates in β ladder)trans-87.5168.9-168.6-169.433.6000112.9S44 A225 L227 F267 K271 T324 A326S44-N269 PolarHBondContact O-ND2 3.06Å; A225-N269 PolarHBondContact O-N 3.31Å; L227-N269 WeakPolarHBondContact CB-O 3.33Å; L227-N269 PolarHBondContact N-O 3.14Å; F267-N269 VanDerWaalsContact C-N 3.35Å; F267-N269 PolarHBondContact O-N 2.83Å; N269-K271 VanDerWaalsContact C-N 3.31Å; N269-T324 CarbonylContact C-O 3.54Å; N269-T324 VanDerWaalsContact CA-O 3.31Å; N269-T324 WeakPolarHBondContact CA-O 3.36Å; N269-T324 WeakPolarHBondContact CA-OG1 3.49Å; N269-T324 WeakPolarHBondContact CB-OG1 3.41Å; N269-T324 PolarHBondContact OD1-O 3.35Å; N269-T324 PolarHBondContact OD1-OG1 3.14Å; N269-A326 PolarHBondContact OD1-N 3.2Å
270K98.2Very high96.3Very high28 Ų2844.3 Ų44.312%0.12223%0.231CC..  trans61.739.1-178-52.8-179.2176.1-179.80112.3E43 D150 A226 S228 D272 I273 F274 T324E43-K270 WeakPolarHBondContact O-CE 3.34Å; E43-K270 PolarHBondContact O-NZ 2.95Å; D150-K270 WeakPolarHBondContact OD2-CD 3.48Å; D150-K270 WeakPolarHBondContact OD2-CE 3.43Å; D150-K270 IonicContact OD2-NZ 2.86Å; D150-K270 PolarHBondContact OD2-NZ 3.36Å; A226-K270 HydrophobicContact CB-CD 3.91Å; S228-K270 VanDerWaalsContact OG-CD 3.27Å; S228-K270 WeakPolarHBondContact OG-CD 3.33Å; K270-D272 VanDerWaalsContact CA-OD1 3.26Å; K270-D272 WeakPolarHBondContact CA-OD1 3.29Å; K270-D272 PolarHBondContact O-N 3.08Å; K270-I273 HydrophobicContact CD-CD1 4.5Å; K270-I273 PolarHBondContact O-N 3.31Å; K270-F274 WeakPolarHBondContact O-CB 3.34Å; K270-F274 PolarHBondContact O-N 3.25Å; K270-T324 PolarHBondContact N-O 2.93Å
271K98Very high96.6Very high53 Ų5343.6 Ų43.623%0.2322%0.224CC..Hα-helixtrans-60.6-31.4179.474.6178.6-176.8176.50112.2L227 N269 Q275 F296 M323 T324 C325 N331L227-K271 HydrophobicContact CD1-CB 4.19Å; N269-K271 VanDerWaalsContact C-N 3.31Å; K271-Q275 VanDerWaalsContact O-CB 3.22Å; K271-Q275 WeakPolarHBondContact O-CB 3.48Å; K271-Q275 PolarHBondContact O-N 3.23Å; K271-F296 HydrophobicContact CB-CE2 3.83Å; K271-F296 HydrophobicContact CB-CZ 3.96Å; K271-M323 HydrophobicContact CB-CB 4.48Å; K271-M323 HydrophobicContact CD-CB 4.22Å; K271-T324 WeakPolarHBondContact CG-O 3.32Å; K271-T324 PolarHBondContact N-O 3.35Å; K271-T324 VanDerWaalsContact N-O 3.1Å; K271-C325 HydrophobicContact CG-CB 4.14Å; K271-N331 PolarHBondContact NZ-ND2 3.03Å
272D97.2Very high97Very high59 Ų5941 Ų4132%0.31620%0.202SC..Hα-helixtrans-60.7-54175.755.9-44.8000111.3K270 F274 Q275 E276 C325K270-D272 VanDerWaalsContact CA-OD1 3.26Å; K270-D272 WeakPolarHBondContact CA-OD1 3.29Å; K270-D272 PolarHBondContact O-N 3.08Å; D272-F274 VanDerWaalsContact C-N 3.34Å; D272-F274 PolarHBondContact O-N 3.4Å; D272-Q275 PolarHBondContact O-N 3.48Å; D272-E276 PolarHBondContact O-N 3.07Å; D272-C325 VanDerWaalsContact CG-SG 3.57Å
273I97.3Very high97.3Very high41 Ų4140.5 Ų40.521%0.2120%0.199CC..Hα-helixtrans-67.3-39.4178.4-56.1176.8000110.4D150 K270 Q275 E276 K277D150-I273 HydrophobicContact CB-CD1 3.6Å; D150-I273 VanDerWaalsContact CG-CD1 3.5Å; D150-I273 WeakPolarHBondContact OD2-CD1 3.28Å; K270-I273 HydrophobicContact CD-CD1 4.5Å; K270-I273 PolarHBondContact O-N 3.31Å; I273-Q275 PolarHBondContact O-N 3.39Å; I273-E276 PolarHBondContact O-N 2.99Å; I273-K277 HydrophobicContact CG2-CD 3.69Å; I273-K277 HydrophobicContact CG2-CG 4.19Å; I273-K277 WeakPolarHBondContact O-CB 3.45Å; I273-K277 WeakPolarHBondContact O-CG 3.5Å; I273-K277 PolarHBondContact O-N 2.82Å
274F98.2Very high97.5Very high0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-61.6-42.6176.7178-109.9000112.4L227 Y230 K270 D272 E276 K277 V278 F296 A299 I303L227-F274 HydrophobicContact CB-CB 3.61Å; L227-F274 HydrophobicContact CB-CD1 4.14Å; L227-F274 HydrophobicContact CB-CD2 3.98Å; L227-F274 HydrophobicContact CB-CG 3.64Å; L227-F274 HydrophobicContact CD1-CD1 4.15Å; L227-F274 HydrophobicContact CD1-CG 4.44Å; L227-F274 WeakPolarHBondContact O-CD2 3.17Å; Y230-F274 AromaticContact CD1-CD2 3.79Å; Y230-F274 HydrophobicContact CD1-CD2 3.79Å; Y230-F274 AromaticContact CD1-CE2 3.78Å; Y230-F274 HydrophobicContact CD1-CE2 3.78Å; Y230-F274 AromaticContact CE1-CD2 3.78Å; Y230-F274 HydrophobicContact CE1-CD2 3.78Å; Y230-F274 AromaticContact CE1-CE2 3.82Å; Y230-F274 HydrophobicContact CE1-CE2 3.82Å; K270-F274 WeakPolarHBondContact O-CB 3.34Å; K270-F274 PolarHBondContact O-N 3.25Å; D272-F274 VanDerWaalsContact C-N 3.34Å; D272-F274 PolarHBondContact O-N 3.4Å; F274-E276 PolarHBondContact O-N 3.46Å; F274-K277 PolarHBondContact O-N 2.97Å; F274-V278 HydrophobicContact CD2-CB 4.48Å; F274-V278 HydrophobicContact CE1-CB 4.44Å; F274-V278 HydrophobicContact CE2-CB 4.11Å; F274-V278 HydrophobicContact CE2-CG2 4.16Å; F274-V278 HydrophobicContact CZ-CB 4.09Å; F274-V278 HydrophobicContact CZ-CG2 3.91Å; F274-V278 WeakPolarHBondContact O-CB 3.48Å; F274-V278 WeakPolarHBondContact O-CG1 3.35Å; F274-V278 PolarHBondContact O-N 3.48Å; F274-F296 AromaticContact CD1-CD2 3.68Å; F274-F296 HydrophobicContact CD1-CD2 3.68Å; F274-F296 AromaticContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CE1-CD2 4.1Å; F274-A299 HydrophobicContact CE1-CB 4.38Å; F274-A299 HydrophobicContact CZ-CB 3.76Å; F274-I303 HydrophobicContact CE2-CD1 3.79Å; F274-I303 HydrophobicContact CZ-CD1 3.81Å
275Q97.9Very high97.5Very high110 Ų11047.1 Ų47.151%0.51424%0.236SC..Hα-helixtrans-57.8-36.2179.1180172.9-7.800112.1K271 D272 I273 F296K271-Q275 VanDerWaalsContact O-CB 3.22Å; K271-Q275 WeakPolarHBondContact O-CB 3.48Å; K271-Q275 PolarHBondContact O-N 3.23Å; D272-Q275 PolarHBondContact O-N 3.48Å; I273-Q275 PolarHBondContact O-N 3.39Å; Q275-F296 HydrophobicContact CB-CD2 3.71Å; Q275-F296 HydrophobicContact CB-CE2 4.27Å; Q275-F296 HydrophobicContact CB-CG 4.34Å; Q275-F296 HydrophobicContact CG-CB 4.28Å; Q275-F296 HydrophobicContact CG-CD2 4.21Å; Q275-F296 HydrophobicContact CG-CG 4.35Å
276E95.9Very high97.5Very high131 Ų13147.2 Ų47.261%0.61224%0.237SC*.Hα-helixtrans-75.9-50.6174-64.5-179.2-169.700112D272 I273 F274 V278 T279D272-E276 PolarHBondContact O-N 3.07Å; I273-E276 PolarHBondContact O-N 2.99Å; F274-E276 PolarHBondContact O-N 3.46Å; E276-V278 VanDerWaalsContact C-N 3.35Å; E276-V278 PolarHBondContact O-N 2.84Å; E276-T279 PolarHBondContact O-N 3.28Å; E276-T279 VanDerWaalsContact O-N 3.08Å; E276-T279 PolarHBondContact O-OG1 3.27Å
277K96.5Very high97.5Very high36 Ų3647.7 Ų47.716%0.15724%0.239CC..Hα-helixtrans-63.5-38.4-173.9-72.2-178.769.3174.60113.1S228 Y230 D231 I273 F274 T279 K280 V281S228-K277 PolarHBondContact O-NZ 3.24Å; Y230-K277 HydrophobicContact CE1-CB 4.1Å; Y230-K277 VanDerWaalsContact OH-C 3.24Å; Y230-K277 PolarHBondContact OH-O 2.94Å; Y230-K277 VanDerWaalsContact OH-O 3.09Å; D231-K277 VanDerWaalsContact CG-CE 3.41Å; D231-K277 VanDerWaalsContact CG-NZ 3.27Å; D231-K277 WeakPolarHBondContact OD1-CE 3.41Å; D231-K277 IonicContact OD1-NZ 4Å; D231-K277 PolarHBondContact OD1-NZ 3.23Å; D231-K277 WeakPolarHBondContact OD2-CE 3.29Å; D231-K277 IonicContact OD2-NZ 3.85Å; D231-K277 PolarHBondContact OD2-NZ 2.89Å; I273-K277 HydrophobicContact CG2-CD 3.69Å; I273-K277 HydrophobicContact CG2-CG 4.19Å; I273-K277 WeakPolarHBondContact O-CB 3.45Å; I273-K277 WeakPolarHBondContact O-CG 3.5Å; I273-K277 PolarHBondContact O-N 2.82Å; F274-K277 PolarHBondContact O-N 2.97Å; K277-T279 PolarHBondContact O-N 3.29Å; K277-T279 VanDerWaalsContact O-N 3.13Å; K277-K280 PolarHBondContact O-N 2.85Å; K277-V281 PolarHBondContact O-N 3.31Å
278V97.4Very high97.5Very high1 Ų152.5 Ų52.51%0.00627%0.271CS..THydrogen-bonded Turntrans-64.4-17.1178.280.40000111.8Y230 F274 E276 K280 N294 A299Y230-V278 WeakPolarHBondContact OH-CA 3.25Å; Y230-V278 PolarHBondContact OH-N 3.22Å; F274-V278 HydrophobicContact CD2-CB 4.48Å; F274-V278 HydrophobicContact CE1-CB 4.44Å; F274-V278 HydrophobicContact CE2-CB 4.11Å; F274-V278 HydrophobicContact CE2-CG2 4.16Å; F274-V278 HydrophobicContact CZ-CB 4.09Å; F274-V278 HydrophobicContact CZ-CG2 3.91Å; F274-V278 WeakPolarHBondContact O-CB 3.48Å; F274-V278 WeakPolarHBondContact O-CG1 3.35Å; F274-V278 PolarHBondContact O-N 3.48Å; E276-V278 VanDerWaalsContact C-N 3.35Å; E276-V278 PolarHBondContact O-N 2.84Å; V278-K280 VanDerWaalsContact C-N 3.28Å; V278-K280 PolarHBondContact O-N 3.37Å; V278-N294 HydrophobicContact CG2-CB 4.45Å; V278-N294 WeakPolarHBondContact CG2-OD1 3.47Å; V278-N294 PolarHBondContact O-ND2 3.2Å; V278-A299 HydrophobicContact CG2-CB 3.67Å
279T96.3Very high97.4Very high109 Ų10960.3 Ų60.367%0.66931%0.307SS*.THydrogen-bonded Turntrans-77.8-16.3171.467.10000113.4E276 K277E276-T279 PolarHBondContact O-N 3.28Å; E276-T279 VanDerWaalsContact O-N 3.08Å; E276-T279 PolarHBondContact O-OG1 3.27Å; K277-T279 PolarHBondContact O-N 3.29Å; K277-T279 VanDerWaalsContact O-N 3.13Å
280K95.7Very high97.4Very high147 Ų14761 Ų6164%0.63931%0.31SS*.THydrogen-bonded Turntrans-108.3-39.2-171.7-58.7179.4-177.7178.70112.9K277 V278K277-K280 PolarHBondContact O-N 2.85Å; V278-K280 VanDerWaalsContact C-N 3.28Å; V278-K280 PolarHBondContact O-N 3.37Å
281V96.4Very high97.3Very high42 Ų4266.2 Ų66.226%0.25534%0.344SS..SBendtrans-122.5122.6-176.3-177.10000110Y230 D231 K277 I285 N294Y230-V281 HydrophobicContact CE2-CB 4.37Å; Y230-V281 HydrophobicContact CE2-CG1 4.21Å; Y230-V281 PolarHBondContact OH-O 3.49Å; D231-V281 HydrophobicContact CB-CG1 4.12Å; K277-V281 PolarHBondContact O-N 3.31Å; V281-I285 HydrophobicContact CG1-CB 4.42Å; V281-I285 HydrophobicContact CG1-CD1 4.15Å; V281-I285 HydrophobicContact CG1-CG2 3.9Å; V281-N294 PolarHBondContact O-ND2 2.98Å
282H97.6Very high97.2Very high75 Ų7564.8 Ų64.835%0.34734%0.344SS..  trans-62135.4-179.8-157.7-94.2000112.5S284 I285 Y290 N294H282-S284 VanDerWaalsContact ND1-CB 3.28Å; H282-S284 WeakPolarHBondContact ND1-CB 3.29Å; H282-S284 PolarHBondContact ND1-N 3.18Å; H282-S284 VanDerWaalsContact ND1-N 3.19Å; H282-S284 PolarHBondContact ND1-OG 3.14Å; H282-S284 PolarHBondContact O-N 3.49Å; H282-I285 VanDerWaalsContact O-CG2 3.28Å; H282-I285 WeakPolarHBondContact O-CG2 3.48Å; H282-I285 PolarHBondContact O-N 2.92Å; H282-I285 VanDerWaalsContact O-N 3.11Å; H282-Y290 AromaticContact CE1-CD1 3.91Å; H282-N294 WeakPolarHBondContact CA-ND2 3.39Å
283L98.3Very high97.2Very high0 Ų065.6 Ų65.60%035%0.353CS..G310 helixtrans-57.3-24.7178.8-176.166.1000112.5Y230 I285 C286 F287 Y290 N294 A299 Y302 I303Y230-L283 HydrophobicContact CD2-CD1 3.99Å; Y230-L283 HydrophobicContact CG-CD1 4.23Å; L283-I285 PolarHBondContact O-N 3.37Å; L283-I285 VanDerWaalsContact O-N 3.08Å; L283-C286 PolarHBondContact O-N 2.86Å; L283-F287 HydrophobicContact CD1-CD2 3.71Å; L283-F287 HydrophobicContact CD1-CE2 4.02Å; L283-F287 HydrophobicContact CD2-CD2 4.27Å; L283-F287 HydrophobicContact CG-CD2 3.83Å; L283-F287 PolarHBondContact O-N 3.33Å; L283-Y290 HydrophobicContact CB-CD1 3.72Å; L283-Y290 HydrophobicContact CB-CE1 3.97Å; L283-Y290 HydrophobicContact CB-CG 4.48Å; L283-Y290 HydrophobicContact CD2-CD1 3.73Å; L283-Y290 HydrophobicContact CD2-CD2 4.1Å; L283-Y290 HydrophobicContact CD2-CE1 3.86Å; L283-Y290 HydrophobicContact CD2-CE2 4.22Å; L283-Y290 HydrophobicContact CD2-CG 3.81Å; L283-Y290 HydrophobicContact CG-CD1 4.09Å; L283-Y290 HydrophobicContact CG-CE1 4.47Å; L283-Y290 HydrophobicContact CG-CG 4.38Å; L283-N294 WeakPolarHBondContact CB-OD1 3.44Å; L283-N294 PolarHBondContact N-OD1 3.46Å; L283-A299 HydrophobicContact CB-CB 4.4Å; L283-A299 HydrophobicContact CD2-CB 3.85Å; L283-Y302 HydrophobicContact CD2-CD1 3.72Å; L283-Y302 HydrophobicContact CD2-CG 4.23Å; L283-I303 HydrophobicContact CD1-CD1 3.78Å; L283-I303 HydrophobicContact CD1-CG1 4.02Å; L283-I303 HydrophobicContact CD2-CG1 4.4Å
284S97.8Very high97.1Very high43 Ų4365.3 Ų65.330%0.30135%0.352SS..G310 helixtrans-60.5-16.8177.963.70000114.7H282 C286 F287 P288H282-S284 VanDerWaalsContact ND1-CB 3.28Å; H282-S284 WeakPolarHBondContact ND1-CB 3.29Å; H282-S284 PolarHBondContact ND1-N 3.18Å; H282-S284 VanDerWaalsContact ND1-N 3.19Å; H282-S284 PolarHBondContact ND1-OG 3.14Å; H282-S284 PolarHBondContact O-N 3.49Å; S284-C286 PolarHBondContact O-N 3.47Å; S284-F287 VanDerWaalsContact CA-O 3.31Å; S284-F287 WeakPolarHBondContact CA-O 3.35Å; S284-F287 CarbonylContact O-C 3.58Å; S284-P288 WeakPolarHBondContact O-CA 3.49Å
285I97Very high97.1Very high109 Ų10968.2 Ų68.256%0.55937%0.37SS*.G310 helixtrans-61.2-33.9170.5-161.7171.8000112Y230 D231 V281 H282 L283Y230-I285 HydrophobicContact CD2-CG2 3.99Å; Y230-I285 HydrophobicContact CE2-CG2 4.07Å; D231-I285 HydrophobicContact CB-CG2 4.15Å; V281-I285 HydrophobicContact CG1-CB 4.42Å; V281-I285 HydrophobicContact CG1-CD1 4.15Å; V281-I285 HydrophobicContact CG1-CG2 3.9Å; H282-I285 VanDerWaalsContact O-CG2 3.28Å; H282-I285 WeakPolarHBondContact O-CG2 3.48Å; H282-I285 PolarHBondContact O-N 2.92Å; H282-I285 VanDerWaalsContact O-N 3.11Å; L283-I285 PolarHBondContact O-N 3.37Å; L283-I285 VanDerWaalsContact O-N 3.08Å
286C98Very high97.1Very high2 Ų265.3 Ų65.31%0.01436%0.355CS..THydrogen-bonded Turntrans-94.6-39.5177.6-171.40000111.3Y230 H244 L283 S284Y230-C286 HydrophobicContact CD2-CB 4.33Å; Y230-C286 VanDerWaalsContact O-CB 3.23Å; Y230-C286 WeakPolarHBondContact O-CB 3.22Å; H244-C286 PolarHBondContact NE2-O 3.43Å; L283-C286 PolarHBondContact O-N 2.86Å; S284-C286 PolarHBondContact O-N 3.47Å
287F98.2Very high97.2Very high10 Ų1065.6 Ų65.64%0.04436%0.357CS..  trans-125.682.6-175.3-59.1-80000110.2M243 L247 L283 S284 E289 Y290 Y302 I303 Q306M243-F287 HydrophobicContact CG-CE2 4.02Å; M243-F287 HydrophobicContact CG-CZ 3.71Å; L247-F287 HydrophobicContact CD1-CE1 3.69Å; L247-F287 HydrophobicContact CD1-CZ 3.83Å; L283-F287 HydrophobicContact CD1-CD2 3.71Å; L283-F287 HydrophobicContact CD1-CE2 4.02Å; L283-F287 HydrophobicContact CD2-CD2 4.27Å; L283-F287 HydrophobicContact CG-CD2 3.83Å; L283-F287 PolarHBondContact O-N 3.33Å; S284-F287 VanDerWaalsContact CA-O 3.31Å; S284-F287 WeakPolarHBondContact CA-O 3.35Å; S284-F287 CarbonylContact O-C 3.58Å; F287-E289 PolarHBondContact O-N 3.27Å; F287-Y290 VanDerWaalsContact O-CB 3.24Å; F287-Y290 WeakPolarHBondContact O-CB 3.33Å; F287-Y290 PolarHBondContact O-N 3.35Å; F287-Y302 HydrophobicContact CB-CE1 3.68Å; F287-Y302 AromaticContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD2-CD1 4.38Å; F287-Y302 HydrophobicContact CD2-CE1 4.09Å; F287-Y302 HydrophobicContact CG-CD1 4.37Å; F287-Y302 AromaticContact CG-CE1 3.64Å; F287-Y302 HydrophobicContact CG-CE1 3.64Å; F287-I303 HydrophobicContact CE2-CG1 3.89Å; F287-Q306 HydrophobicContact CD1-CG 4.24Å; F287-Q306 HydrophobicContact CE1-CB 4.39Å; F287-Q306 HydrophobicContact CE1-CG 3.83Å; F287-Q306 HydrophobicContact CZ-CG 4.24Å
288P98Very high97.3Very high104 Ų10467.2 Ų67.268%0.67537%0.367SS*.THydrogen-bonded Turntrans-54.2-28-173.9-29.536.5000115.1S284 Y290S284-P288 WeakPolarHBondContact O-CA 3.49Å; P288-Y290 VanDerWaalsContact C-N 3.26Å; P288-Y290 PolarHBondContact O-N 3.49Å
289E97Very high97.3Very high164 Ų16467.2 Ų67.277%0.76637%0.367SS*.THydrogen-bonded Turntrans-74.2-11.3176.9-59.5-63.6167.200113.9F287 T291F287-E289 PolarHBondContact O-N 3.27Å; E289-T291 PolarHBondContact O-N 2.96Å
290Y98Very high97.4Very high17 Ų1762 Ų627%0.06734%0.335CS..  trans-77.2111.9179.2-177.9-104.4000111.5H282 L283 F287 P288 G292 P293 D298 A299 Y302H282-Y290 AromaticContact CE1-CD1 3.91Å; L283-Y290 HydrophobicContact CB-CD1 3.72Å; L283-Y290 HydrophobicContact CB-CE1 3.97Å; L283-Y290 HydrophobicContact CB-CG 4.48Å; L283-Y290 HydrophobicContact CD2-CD1 3.73Å; L283-Y290 HydrophobicContact CD2-CD2 4.1Å; L283-Y290 HydrophobicContact CD2-CE1 3.86Å; L283-Y290 HydrophobicContact CD2-CE2 4.22Å; L283-Y290 HydrophobicContact CD2-CG 3.81Å; L283-Y290 HydrophobicContact CG-CD1 4.09Å; L283-Y290 HydrophobicContact CG-CE1 4.47Å; L283-Y290 HydrophobicContact CG-CG 4.38Å; F287-Y290 VanDerWaalsContact O-CB 3.24Å; F287-Y290 WeakPolarHBondContact O-CB 3.33Å; F287-Y290 PolarHBondContact O-N 3.35Å; P288-Y290 VanDerWaalsContact C-N 3.26Å; P288-Y290 PolarHBondContact O-N 3.49Å; Y290-G292 VanDerWaalsContact CE1-O 3.26Å; Y290-G292 WeakPolarHBondContact CE1-O 3.34Å; Y290-P293 PolarHBondContact OH-O 2.9Å; Y290-D298 WeakPolarHBondContact OH-CB 3.4Å; Y290-A299 PolarHBondContact OH-N 3.36Å; Y290-Y302 AromaticContact CD2-CD1 3.86Å; Y290-Y302 HydrophobicContact CD2-CD1 3.86Å; Y290-Y302 AromaticContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CE1 4.17Å; Y290-Y302 AromaticContact CD2-CE2 3.68Å; Y290-Y302 HydrophobicContact CD2-CE2 3.68Å; Y290-Y302 AromaticContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CD2-CG 3.41Å; Y290-Y302 VanDerWaalsContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CE2-CD1 4.42Å; Y290-Y302 AromaticContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CE2 4.49Å; Y290-Y302 AromaticContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CG-CD1 4.39Å; Y290-Y302 HydrophobicContact CG-CD2 4.47Å; Y290-Y302 HydrophobicContact CG-CE1 4.49Å; Y290-Y302 HydrophobicContact CG-CG 4.36Å
291T96.5Very high97.6Very high137 Ų13758.5 Ų58.584%0.8432%0.323SS*.  trans-109.67.2178.856.30000113.2E289E289-T291 PolarHBondContact O-N 2.96Å
292G96.1Very high97.7Very high23 Ų2359 Ų5924%0.23732%0.321CS..SBendtrans-78173-178.500000114Y290Y290-G292 VanDerWaalsContact CE1-O 3.26Å; Y290-G292 WeakPolarHBondContact CE1-O 3.34Å
293P96.8Very high97.7Very high76 Ų7655.5 Ų55.549%0.49431%0.305SS..  trans-64.8140.6176.6-19.132.2000112.3Y290 T295 D298Y290-P293 PolarHBondContact OH-O 2.9Å; P293-T295 HydrophobicContact CB-CG2 4.06Å; P293-T295 PolarHBondContact O-N 3.32Å; P293-D298 HydrophobicContact CB-CB 4.42Å; P293-D298 VanDerWaalsContact O-CB 3.26Å; P293-D298 WeakPolarHBondContact O-CB 3.42Å
294N95.6Very high97.7Very high35 Ų3558.4 Ų58.419%0.18732%0.317CS..  trans-83.746.3179.3-143.244.3000112.9V278 V281 H282 L283V278-N294 HydrophobicContact CG2-CB 4.45Å; V278-N294 WeakPolarHBondContact CG2-OD1 3.47Å; V278-N294 PolarHBondContact O-ND2 3.2Å; V281-N294 PolarHBondContact O-ND2 2.98Å; H282-N294 WeakPolarHBondContact CA-ND2 3.39Å; L283-N294 WeakPolarHBondContact CB-OD1 3.44Å; L283-N294 PolarHBondContact N-OD1 3.46Å
295T97.6Very high97.8Very high62 Ų6260 Ų6038%0.3832%0.323SS..SBendtrans-87.3159173.278.60000109.9P293 E297 D298 A299P293-T295 HydrophobicContact CB-CG2 4.06Å; P293-T295 PolarHBondContact O-N 3.32Å; T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 PolarHBondContact O-N 3.06Å; T295-E297 PolarHBondContact OG1-N 3.13Å; T295-D298 WeakPolarHBondContact OG1-CB 3.49Å; T295-D298 VanDerWaalsContact OG1-CG 3.31Å; T295-D298 PolarHBondContact OG1-N 2.8Å; T295-D298 VanDerWaalsContact OG1-N 3.07Å; T295-D298 PolarHBondContact OG1-OD2 3.1Å; T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 3.17Å
296F98.1Very high97.8Very high49 Ų4957.6 Ų57.622%0.21531%0.309CS..Hα-helixtrans-53.6-43.9173.7172.1-98.9000112.4K271 F274 Q275 G300 M323K271-F296 HydrophobicContact CB-CE2 3.83Å; K271-F296 HydrophobicContact CB-CZ 3.96Å; F274-F296 AromaticContact CD1-CD2 3.68Å; F274-F296 HydrophobicContact CD1-CD2 3.68Å; F274-F296 AromaticContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CD1-CE2 3.87Å; F274-F296 HydrophobicContact CE1-CD2 4.1Å; Q275-F296 HydrophobicContact CB-CD2 3.71Å; Q275-F296 HydrophobicContact CB-CE2 4.27Å; Q275-F296 HydrophobicContact CB-CG 4.34Å; Q275-F296 HydrophobicContact CG-CB 4.28Å; Q275-F296 HydrophobicContact CG-CD2 4.21Å; Q275-F296 HydrophobicContact CG-CG 4.35Å; F296-G300 WeakPolarHBondContact O-CA 3.4Å; F296-G300 PolarHBondContact O-N 2.86Å; F296-M323 HydrophobicContact CE1-SD 3.77Å; F296-M323 HydrophobicContact CE2-SD 4.4Å; F296-M323 HydrophobicContact CZ-SD 3.49Å; F296-M323 WeakPolarHBondContact CZ-SD 3.26Å
297E98Very high97.9Very high137 Ų13757.5 Ų57.564%0.6431%0.308SS*.Hα-helixtrans-70.5-50.9-176.6-64.3-175.8177.200111.6T295 N301T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 PolarHBondContact O-N 3.06Å; T295-E297 PolarHBondContact OG1-N 3.13Å; E297-N301 WeakPolarHBondContact O-CB 3.18Å; E297-N301 PolarHBondContact O-N 3.25Å; E297-N301 PolarHBondContact O-ND2 3.44Å
298D98.3Very high97.9Very high70 Ų7058.7 Ų58.737%0.37432%0.315SS..Hα-helixtrans-65.8-49.1-176.4-66.7-65.6000111.6Y290 P293 T295 Y302Y290-D298 WeakPolarHBondContact OH-CB 3.4Å; P293-D298 HydrophobicContact CB-CB 4.42Å; P293-D298 VanDerWaalsContact O-CB 3.26Å; P293-D298 WeakPolarHBondContact O-CB 3.42Å; T295-D298 WeakPolarHBondContact OG1-CB 3.49Å; T295-D298 VanDerWaalsContact OG1-CG 3.31Å; T295-D298 PolarHBondContact OG1-N 2.8Å; T295-D298 VanDerWaalsContact OG1-N 3.07Å; T295-D298 PolarHBondContact OG1-OD2 3.1Å; D298-Y302 WeakPolarHBondContact O-CB 2.94Å; D298-Y302 PolarHBondContact O-N 3.23Å
299A98.5Very high97.9Very high0 Ų058.1 Ų58.10%031%0.306CS..Hα-helixtrans-70.4-40.4-17900000111.6F274 V278 L283 Y290 T295 Y302 I303F274-A299 HydrophobicContact CE1-CB 4.38Å; F274-A299 HydrophobicContact CZ-CB 3.76Å; V278-A299 HydrophobicContact CG2-CB 3.67Å; L283-A299 HydrophobicContact CB-CB 4.4Å; L283-A299 HydrophobicContact CD2-CB 3.85Å; Y290-A299 PolarHBondContact OH-N 3.36Å; T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 3.17Å; A299-Y302 PolarHBondContact O-N 2.89Å; A299-I303 WeakPolarHBondContact O-CG1 3.11Å; A299-I303 PolarHBondContact O-N 3Å
300G98.5Very high97.9Very high0 Ų052.3 Ų52.30%028%0.28CS..Hα-helixtrans-64.1-41.7176.500000112.4F296 I303 K304 M323F296-G300 WeakPolarHBondContact O-CA 3.4Å; F296-G300 PolarHBondContact O-N 2.86Å; G300-I303 PolarHBondContact O-N 2.99Å; G300-K304 WeakPolarHBondContact O-CB 3.24Å; G300-K304 PolarHBondContact O-N 3.39Å; G300-M323 VanDerWaalsContact C-CE 3.49Å
301N98.4Very high97.9Very high73 Ų7352 Ų5239%0.3928%0.279SS..Hα-helixtrans-67.7-36.4174.6-76.5-36.5000112.2E297 K304 N305E297-N301 WeakPolarHBondContact O-CB 3.18Å; E297-N301 PolarHBondContact O-N 3.25Å; E297-N301 PolarHBondContact O-ND2 3.44Å; N301-K304 WeakPolarHBondContact O-CB 3.46Å; N301-K304 PolarHBondContact O-N 2.7Å; N301-N305 VanDerWaalsContact O-CG 3.26Å; N301-N305 PolarHBondContact O-N 2.57Å; N301-N305 PolarHBondContact O-ND2 3.01Å
302Y98.7Very high97.8Very high54 Ų5452 Ų5221%0.21227%0.274CS..Hα-helixtrans-61.3-51.1173.6-176.3-92000111.3L283 F287 Y290 D298 A299 K304 N305 Q306L283-Y302 HydrophobicContact CD2-CD1 3.72Å; L283-Y302 HydrophobicContact CD2-CG 4.23Å; F287-Y302 HydrophobicContact CB-CE1 3.68Å; F287-Y302 AromaticContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD1-CE1 3.92Å; F287-Y302 HydrophobicContact CD2-CD1 4.38Å; F287-Y302 HydrophobicContact CD2-CE1 4.09Å; F287-Y302 HydrophobicContact CG-CD1 4.37Å; F287-Y302 AromaticContact CG-CE1 3.64Å; F287-Y302 HydrophobicContact CG-CE1 3.64Å; Y290-Y302 AromaticContact CD2-CD1 3.86Å; Y290-Y302 HydrophobicContact CD2-CD1 3.86Å; Y290-Y302 AromaticContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CD2 3.35Å; Y290-Y302 HydrophobicContact CD2-CE1 4.17Å; Y290-Y302 AromaticContact CD2-CE2 3.68Å; Y290-Y302 HydrophobicContact CD2-CE2 3.68Å; Y290-Y302 AromaticContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CD2-CG 3.41Å; Y290-Y302 VanDerWaalsContact CD2-CG 3.41Å; Y290-Y302 HydrophobicContact CE2-CD1 4.42Å; Y290-Y302 AromaticContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CD2 3.75Å; Y290-Y302 HydrophobicContact CE2-CE2 4.49Å; Y290-Y302 AromaticContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CE2-CG 3.67Å; Y290-Y302 HydrophobicContact CG-CD1 4.39Å; Y290-Y302 HydrophobicContact CG-CD2 4.47Å; Y290-Y302 HydrophobicContact CG-CE1 4.49Å; Y290-Y302 HydrophobicContact CG-CG 4.36Å; D298-Y302 WeakPolarHBondContact O-CB 2.94Å; D298-Y302 PolarHBondContact O-N 3.23Å; A299-Y302 PolarHBondContact O-N 2.89Å; Y302-K304 VanDerWaalsContact C-N 3.3Å; Y302-K304 PolarHBondContact O-N 3.02Å; Y302-N305 PolarHBondContact O-N 3.48Å; Y302-N305 VanDerWaalsContact O-N 3.11Å; Y302-Q306 HydrophobicContact CD1-CG 3.96Å; Y302-Q306 HydrophobicContact CE1-CG 3.66Å; Y302-Q306 WeakPolarHBondContact O-CG 3.5Å; Y302-Q306 PolarHBondContact O-N 2.67Å; Y302-Q306 PolarHBondContact OH-NE2 2.86Å
303I98.7Very high97.6Very high0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-57.5-45.4176.3-67.1164.5000110.5L227 M243 L268 F274 L283 F287 A299 G300 N305 Q306 F307L227-I303 HydrophobicContact CD2-CB 4.13Å; L227-I303 HydrophobicContact CD2-CD1 3.93Å; L227-I303 HydrophobicContact CD2-CG2 3.78Å; M243-I303 HydrophobicContact CE-CD1 4.24Å; M243-I303 HydrophobicContact CE-CG2 3.97Å; M243-I303 HydrophobicContact SD-CG2 3.97Å; L268-I303 HydrophobicContact CD2-CG2 4.34Å; F274-I303 HydrophobicContact CE2-CD1 3.79Å; F274-I303 HydrophobicContact CZ-CD1 3.81Å; L283-I303 HydrophobicContact CD1-CD1 3.78Å; L283-I303 HydrophobicContact CD1-CG1 4.02Å; L283-I303 HydrophobicContact CD2-CG1 4.4Å; F287-I303 HydrophobicContact CE2-CG1 3.89Å; A299-I303 WeakPolarHBondContact O-CG1 3.11Å; A299-I303 PolarHBondContact O-N 3Å; G300-I303 PolarHBondContact O-N 2.99Å; I303-N305 VanDerWaalsContact C-N 3.3Å; I303-N305 PolarHBondContact O-N 3.43Å; I303-Q306 WeakPolarHBondContact O-CB 3.1Å; I303-Q306 PolarHBondContact O-N 3.31Å; I303-Q306 VanDerWaalsContact O-N 3.14Å; I303-F307 HydrophobicContact CG2-CD2 3.94Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 WeakPolarHBondContact O-CD2 3.36Å; I303-F307 PolarHBondContact O-N 2.98Å; I303-F307 VanDerWaalsContact O-N 3.14Å
304K98.7Very high97.3Very high61 Ų6156.7 Ų56.727%0.26528%0.28SS..Hα-helixtrans-52.2-49.6175.4173.9179.2153.8170.80111.4L268 G300 N301 Y302 Q306 F307 L308 S321L268-K304 HydrophobicContact CD1-CB 3.51Å; L268-K304 HydrophobicContact CD1-CG 3.99Å; G300-K304 WeakPolarHBondContact O-CB 3.24Å; G300-K304 PolarHBondContact O-N 3.39Å; N301-K304 WeakPolarHBondContact O-CB 3.46Å; N301-K304 PolarHBondContact O-N 2.7Å; Y302-K304 VanDerWaalsContact C-N 3.3Å; Y302-K304 PolarHBondContact O-N 3.02Å; K304-Q306 VanDerWaalsContact C-N 3.35Å; K304-Q306 PolarHBondContact O-N 3.01Å; K304-F307 PolarHBondContact O-N 3.12Å; K304-L308 HydrophobicContact CD-CD1 4.44Å; K304-L308 HydrophobicContact CG-CD1 3.88Å; K304-L308 HydrophobicContact CG-CG 4.31Å; K304-L308 WeakPolarHBondContact O-CG 3.35Å; K304-L308 PolarHBondContact O-N 3.19Å; K304-S321 WeakPolarHBondContact CE-OG 3.43Å; K304-S321 PolarHBondContact NZ-OG 3.26Å
305N98.3Very high97Very high78 Ų7864.3 Ų64.342%0.41731%0.314SS..Hα-helixtrans-64.8-38.6-179.9-68-18.3000111.8N301 Y302 I303 F307 L308 D309N301-N305 VanDerWaalsContact O-CG 3.26Å; N301-N305 PolarHBondContact O-N 2.57Å; N301-N305 PolarHBondContact O-ND2 3.01Å; Y302-N305 PolarHBondContact O-N 3.48Å; Y302-N305 VanDerWaalsContact O-N 3.11Å; I303-N305 VanDerWaalsContact C-N 3.3Å; I303-N305 PolarHBondContact O-N 3.43Å; N305-F307 PolarHBondContact O-N 3.05Å; N305-L308 PolarHBondContact O-N 3.34Å; N305-L308 VanDerWaalsContact O-N 3.15Å; N305-D309 VanDerWaalsContact O-CB 3.28Å; N305-D309 WeakPolarHBondContact O-CB 3.49Å; N305-D309 PolarHBondContact O-N 2.82Å
306Q98.6Very high96.5Very high57 Ų5768.1 Ų68.127%0.26633%0.332SS..Hα-helixtrans-55.1-40.2173.2-65.6-61.4-55.600112.1L247 F287 Y302 I303 K304 L310L247-Q306 HydrophobicContact CD1-CB 4.47Å; L247-Q306 HydrophobicContact CD2-CB 3.95Å; F287-Q306 HydrophobicContact CD1-CG 4.24Å; F287-Q306 HydrophobicContact CE1-CB 4.39Å; F287-Q306 HydrophobicContact CE1-CG 3.83Å; F287-Q306 HydrophobicContact CZ-CG 4.24Å; Y302-Q306 HydrophobicContact CD1-CG 3.96Å; Y302-Q306 HydrophobicContact CE1-CG 3.66Å; Y302-Q306 WeakPolarHBondContact O-CG 3.5Å; Y302-Q306 PolarHBondContact O-N 2.67Å; Y302-Q306 PolarHBondContact OH-NE2 2.86Å; I303-Q306 WeakPolarHBondContact O-CB 3.1Å; I303-Q306 PolarHBondContact O-N 3.31Å; I303-Q306 VanDerWaalsContact O-N 3.14Å; K304-Q306 VanDerWaalsContact C-N 3.35Å; K304-Q306 PolarHBondContact O-N 3.01Å; Q306-L310 WeakPolarHBondContact O-CG 3.48Å
307F98.7Very high96.1Very high0 Ų066.6 Ų66.60%033%0.326CS..Hα-helixtrans-70.9-49.2173.9-80.1-85.6000112.4F223 A225 M243 L247 F250 L266 L268 I303 K304 N305 D309 L310F223-F307 HydrophobicContact CE1-CE1 4.17Å; A225-F307 HydrophobicContact CB-CE1 4.01Å; A225-F307 HydrophobicContact CB-CE2 4.06Å; A225-F307 HydrophobicContact CB-CZ 3.56Å; M243-F307 HydrophobicContact SD-CE2 3.6Å; M243-F307 HydrophobicContact SD-CZ 3.85Å; L247-F307 HydrophobicContact CD2-CB 4.45Å; L247-F307 HydrophobicContact CD2-CD1 3.8Å; L247-F307 HydrophobicContact CD2-CD2 3.73Å; L247-F307 HydrophobicContact CD2-CE1 3.84Å; L247-F307 HydrophobicContact CD2-CE2 3.77Å; L247-F307 HydrophobicContact CD2-CG 3.73Å; L247-F307 HydrophobicContact CD2-CZ 3.81Å; L247-F307 HydrophobicContact CG-CE1 4.26Å; L247-F307 HydrophobicContact CG-CE2 4.23Å; L247-F307 HydrophobicContact CG-CZ 4Å; F250-F307 HydrophobicContact CB-CD1 3.64Å; F250-F307 HydrophobicContact CB-CE1 3.7Å; F250-F307 HydrophobicContact CD1-CB 4.28Å; F250-F307 AromaticContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CD1 3.66Å; F250-F307 HydrophobicContact CD1-CG 4.47Å; F250-F307 HydrophobicContact CD2-CD1 4.19Å; F250-F307 HydrophobicContact CE1-CB 4.23Å; F250-F307 HydrophobicContact CE1-CD1 4.31Å; F250-F307 WeakPolarHBondContact CE1-O 3.23Å; F250-F307 AromaticContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CD1 3.56Å; F250-F307 HydrophobicContact CG-CE1 4.11Å; L266-F307 HydrophobicContact CD1-CD1 4.05Å; L266-F307 HydrophobicContact CD1-CG 4.24Å; L266-F307 HydrophobicContact CD2-CB 3.41Å; L266-F307 VanDerWaalsContact CD2-CB 3.41Å; L266-F307 HydrophobicContact CD2-CD1 4.42Å; L266-F307 HydrophobicContact CD2-CD2 4.39Å; L266-F307 HydrophobicContact CD2-CG 3.85Å; L268-F307 HydrophobicContact CD2-CD2 3.93Å; L268-F307 HydrophobicContact CD2-CE2 4.11Å; I303-F307 HydrophobicContact CG2-CD2 3.94Å; I303-F307 HydrophobicContact CG2-CE2 3.78Å; I303-F307 WeakPolarHBondContact O-CD2 3.36Å; I303-F307 PolarHBondContact O-N 2.98Å; I303-F307 VanDerWaalsContact O-N 3.14Å; K304-F307 PolarHBondContact O-N 3.12Å; N305-F307 PolarHBondContact O-N 3.05Å; F307-D309 PolarHBondContact O-N 3.45Å; F307-L310 WeakPolarHBondContact O-CB 3.45Å; F307-L310 PolarHBondContact O-N 3.31Å; F307-L310 VanDerWaalsContact O-N 3.11Å
308L98.2Very high95.8Very high35 Ų3566.1 Ų66.118%0.18332%0.324CS..Hα-helixtrans-63.6-30.2-176.5-65.4-179.2000112.6K304 N305 L310 N311 K314 I319K304-L308 HydrophobicContact CD-CD1 4.44Å; K304-L308 HydrophobicContact CG-CD1 3.88Å; K304-L308 HydrophobicContact CG-CG 4.31Å; K304-L308 WeakPolarHBondContact O-CG 3.35Å; K304-L308 PolarHBondContact O-N 3.19Å; N305-L308 PolarHBondContact O-N 3.34Å; N305-L308 VanDerWaalsContact O-N 3.15Å; L308-L310 PolarHBondContact O-N 2.55Å; L308-N311 WeakPolarHBondContact O-CB 3.23Å; L308-N311 PolarHBondContact O-N 2.91Å; L308-K314 WeakPolarHBondContact O-CE 3.48Å; L308-I319 HydrophobicContact CD2-CB 3.86Å; L308-I319 HydrophobicContact CD2-CG2 3.79Å; L308-I319 WeakPolarHBondContact CD2-O 3.43Å
309D97.8Very high95.7Very high93 Ų9363.4 Ų63.450%0.49731%0.309SS..THydrogen-bonded Turntrans-70.3-17.6177-72.1-23.3000114.1N305 F307 N311 K314N305-D309 VanDerWaalsContact O-CB 3.28Å; N305-D309 WeakPolarHBondContact O-CB 3.49Å; N305-D309 PolarHBondContact O-N 2.82Å; F307-D309 PolarHBondContact O-N 3.45Å; D309-N311 VanDerWaalsContact C-N 3.27Å; D309-N311 PolarHBondContact O-N 3.41Å; D309-K314 IonicContact OD1-NZ 2.91Å; D309-K314 PolarHBondContact OD1-NZ 2.93Å
310L98Very high95.5Very high42 Ų4265.4 Ų65.422%0.2232%0.317CS..THydrogen-bonded Turntrans-75.7-15.1173.6-63.5168.6000113.2L247 F250 N251 N255 Q306 F307 L308 L312L247-L310 HydrophobicContact CB-CD1 4.09Å; L247-L310 HydrophobicContact CD2-CD1 3.71Å; L247-L310 VanDerWaalsContact O-CD1 3.32Å; L247-L310 WeakPolarHBondContact O-CD1 3.15Å; F250-L310 HydrophobicContact CD1-CB 4.21Å; F250-L310 HydrophobicContact CD1-CD1 4.03Å; N251-L310 HydrophobicContact CB-CB 4.27Å; N251-L310 HydrophobicContact CB-CD1 4.07Å; N251-L310 HydrophobicContact CB-CD2 4.09Å; N251-L310 HydrophobicContact CB-CG 4.37Å; N255-L310 PolarHBondContact ND2-O 3.46Å; Q306-L310 WeakPolarHBondContact O-CG 3.48Å; F307-L310 WeakPolarHBondContact O-CB 3.45Å; F307-L310 PolarHBondContact O-N 3.31Å; F307-L310 VanDerWaalsContact O-N 3.11Å; L308-L310 PolarHBondContact O-N 2.55Å; L310-L312 PolarHBondContact O-N 3.43Å
311N97.3Very high95.5Very high9 Ų966.5 Ų66.55%0.04832%0.324CS..  trans-70.4111.8174.9-178.212.1000109.8L308 D309 K313 K314 K317 I319L308-N311 WeakPolarHBondContact O-CB 3.23Å; L308-N311 PolarHBondContact O-N 2.91Å; D309-N311 VanDerWaalsContact C-N 3.27Å; D309-N311 PolarHBondContact O-N 3.41Å; N311-K313 VanDerWaalsContact C-N 3.27Å; N311-K313 PolarHBondContact O-N 3.06Å; N311-K313 PolarHBondContact OD1-N 3.49Å; N311-K313 VanDerWaalsContact OD1-N 3.07Å; N311-K314 HydrophobicContact CB-CG 4.14Å; N311-K314 VanDerWaalsContact O-CG 3.25Å; N311-K314 WeakPolarHBondContact O-CG 3.41Å; N311-K317 PolarHBondContact ND2-O 3Å; N311-I319 HydrophobicContact CB-CD1 3.73Å; N311-I319 HydrophobicContact CB-CG1 4.44Å
312L95.2Very high95.4Very high137 Ų13765 Ų6572%0.71732%0.315SS*.THydrogen-bonded Turntrans-80-10.8-179.7-59.5178000113N255 L310N255-L312 HydrophobicContact CB-CD1 4.42Å; N255-L312 WeakPolarHBondContact OD1-CB 3.42Å; N255-L312 WeakPolarHBondContact OD1-CG 3.43Å; N255-L312 PolarHBondContact OD1-N 3.34Å; L310-L312 PolarHBondContact O-N 3.43Å
313K91.7Very high95.4Very high86 Ų8664.5 Ų64.537%0.37432%0.315SS..THydrogen-bonded Turntrans-118.542.9-175.3-60-177179.3-177.50111.7N311 E315 D316 K317N311-K313 VanDerWaalsContact C-N 3.27Å; N311-K313 PolarHBondContact O-N 3.06Å; N311-K313 PolarHBondContact OD1-N 3.49Å; N311-K313 VanDerWaalsContact OD1-N 3.07Å; K313-E315 PolarHBondContact O-N 2.93Å; K313-E315 VanDerWaalsContact O-N 3.1Å; K313-D316 HydrophobicContact CB-CB 4.39Å; K313-D316 PolarHBondContact O-N 3Å; K313-K317 PolarHBondContact O-N 2.77Å
314K90.5Very high95.4Very high113 Ų11364.5 Ų64.549%0.49132%0.315SS..THydrogen-bonded Turntrans-56-28.9-176.2-64.8-178.2174.6178.30113.7L308 D309 N311L308-K314 WeakPolarHBondContact O-CE 3.48Å; D309-K314 IonicContact OD1-NZ 2.91Å; D309-K314 PolarHBondContact OD1-NZ 2.93Å; N311-K314 HydrophobicContact CB-CG 4.14Å; N311-K314 VanDerWaalsContact O-CG 3.25Å; N311-K314 WeakPolarHBondContact O-CG 3.41Å
315E89.1Confident95.3Very high194 Ų19462 Ų6291%0.90731%0.305SS*.THydrogen-bonded Turntrans-76.4-32.7179-62.2-178.3179.100112.7K313K313-E315 PolarHBondContact O-N 2.93Å; K313-E315 VanDerWaalsContact O-N 3.1Å
316D88Confident95.3Very high142 Ų14258.6 Ų58.676%0.75929%0.287SS*.THydrogen-bonded Turntrans-96.2-25.6-176.1-56.7-45.4000112.9K313K313-D316 HydrophobicContact CB-CB 4.39Å; K313-D316 PolarHBondContact O-N 3Å
317K89Confident95.3Very high17 Ų1757.1 Ų57.17%0.07428%0.283CS..  trans-144107.3-167.5-177177.6-179.7173.30110.9F259 T262 N311 K313F259-K317 PolarHBondContact O-NZ 3.11Å; T262-K317 WeakPolarHBondContact O-CE 3.26Å; T262-K317 PolarHBondContact O-NZ 2.91Å; N311-K317 PolarHBondContact ND2-O 3Å; K313-K317 PolarHBondContact O-N 2.77Å
318E91.8Very high95.2Very high128 Ų12860.3 Ų60.360%0.59830%0.299SS*.  trans-76.8141.7171.8-171169.6-17100110.7Y320E318-Y320 HydrophobicContact CG-CE1 4.43Å
319I95.8Very high95.2Very high12 Ų1260.4 Ų60.46%0.06230%0.301CS..EExtended strand (participates in β ladder)trans-111.8113.1171.7-61.6-174.1000107.9F250 C254 I264 L266 L308 N311F250-I319 HydrophobicContact CE1-CD1 4.08Å; F250-I319 HydrophobicContact CZ-CD1 3.61Å; F250-I319 HydrophobicContact CZ-CG2 4.07Å; C254-I319 HydrophobicContact CB-CD1 3.85Å; I264-I319 HydrophobicContact CB-CG1 4.37Å; I264-I319 HydrophobicContact CG2-CG2 4.23Å; L266-I319 HydrophobicContact CB-CG2 4.14Å; L308-I319 HydrophobicContact CD2-CB 3.86Å; L308-I319 HydrophobicContact CD2-CG2 3.79Å; L308-I319 WeakPolarHBondContact CD2-O 3.43Å; N311-I319 HydrophobicContact CB-CD1 3.73Å; N311-I319 HydrophobicContact CB-CG1 4.44Å
320Y95Very high95.2Very high43 Ų4362.3 Ų62.317%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-77.1141.2176.1-54.8-88.7000109.4I264 V265 L266 E318 I342 E346I264-Y320 PolarHBondContact O-N 2.79Å; V265-Y320 CarbonylContact C-O 3.44Å; V265-Y320 WeakPolarHBondContact CA-O 3.49Å; L266-Y320 PolarHBondContact N-O 3.11Å; E318-Y320 HydrophobicContact CG-CE1 4.43Å; Y320-I342 HydrophobicContact CD1-CD1 3.53Å; Y320-I342 HydrophobicContact CD1-CG1 4.15Å; Y320-I342 HydrophobicContact CD2-CD1 4.03Å; Y320-I342 HydrophobicContact CD2-CG2 3.7Å; Y320-I342 HydrophobicContact CE1-CD1 3.97Å; Y320-I342 HydrophobicContact CE1-CG1 4.06Å; Y320-I342 HydrophobicContact CE1-CG2 4.3Å; Y320-I342 HydrophobicContact CE2-CD1 4.43Å; Y320-I342 HydrophobicContact CE2-CG1 4.49Å; Y320-I342 HydrophobicContact CE2-CG2 3.31Å; Y320-I342 HydrophobicContact CG-CD1 3.54Å; Y320-I342 HydrophobicContact CG-CG1 4.38Å; Y320-I342 HydrophobicContact CG-CG2 4.34Å; Y320-E346 WeakPolarHBondContact CE2-OE1 3.19Å; Y320-E346 PolarHBondContact OH-OE1 2.94Å
321S97.4Very high95.2Very high23 Ų2361.2 Ų61.216%0.16130%0.302CS..EExtended strand (participates in β ladder)trans-133.2136.9-177.153.70000111.9L266 K304L266-S321 VanDerWaalsContact O-CA 3.31Å; L266-S321 WeakPolarHBondContact O-CA 3.41Å; K304-S321 WeakPolarHBondContact CE-OG 3.43Å; K304-S321 PolarHBondContact NZ-OG 3.26Å
322H97.7Very high95.3Very high40 Ų4061 Ų6119%0.18530%0.301CS..EExtended strand (participates in β ladder)trans-135.1132.9179.3-63.4-86.5000110.6L266 F267 L268 T324 V335L266-H322 PolarHBondContact O-N 3.37Å; F267-H322 HydrophobicContact CD1-CB 4.43Å; L268-H322 PolarHBondContact N-O 2.6Å; H322-T324 HydrophobicContact CB-CG2 4.23Å; H322-V335 HydrophobicContact CB-CG1 3.59Å; H322-V335 HydrophobicContact CB-CG2 4.1Å
323M97.7Very high95.3Very high45 Ų4559.9 Ų59.922%0.22229%0.29CS..EExtended strand (participates in β ladder)trans-77.9122.8166.7-65.7-177.2-179.700109.1L268 K271 F296 G300L268-M323 HydrophobicContact CB-CG 4.37Å; L268-M323 CarbonylContact O-C 3.6Å; L268-M323 WeakPolarHBondContact O-CA 3.22Å; K271-M323 HydrophobicContact CB-CB 4.48Å; K271-M323 HydrophobicContact CD-CB 4.22Å; F296-M323 HydrophobicContact CE1-SD 3.77Å; F296-M323 HydrophobicContact CE2-SD 4.4Å; F296-M323 HydrophobicContact CZ-SD 3.49Å; F296-M323 WeakPolarHBondContact CZ-SD 3.26Å; G300-M323 VanDerWaalsContact C-CE 3.49Å
324T98.3Very high95.5Very high0 Ų062.8 Ų62.80%030%0.303CS..  trans-124.8152.8-170.848.80000112.6F267 L268 N269 K270 K271 H322 N331 V335F267-T324 HydrophobicContact CB-CG2 4.41Å; F267-T324 HydrophobicContact CD1-CG2 4.25Å; F267-T324 HydrophobicContact CD2-CG2 4.08Å; F267-T324 HydrophobicContact CE2-CG2 4.43Å; F267-T324 HydrophobicContact CG-CG2 4Å; L268-T324 PolarHBondContact O-N 3.07Å; N269-T324 CarbonylContact C-O 3.54Å; N269-T324 VanDerWaalsContact CA-O 3.31Å; N269-T324 WeakPolarHBondContact CA-O 3.36Å; N269-T324 WeakPolarHBondContact CA-OG1 3.49Å; N269-T324 WeakPolarHBondContact CB-OG1 3.41Å; N269-T324 PolarHBondContact OD1-O 3.35Å; N269-T324 PolarHBondContact OD1-OG1 3.14Å; K270-T324 PolarHBondContact N-O 2.93Å; K271-T324 WeakPolarHBondContact CG-O 3.32Å; K271-T324 PolarHBondContact N-O 3.35Å; K271-T324 VanDerWaalsContact N-O 3.1Å; H322-T324 HydrophobicContact CB-CG2 4.23Å; T324-N331 WeakPolarHBondContact CA-OD1 3.25Å; T324-V335 HydrophobicContact CG2-CB 4.25Å; T324-V335 HydrophobicContact CG2-CG1 3.92Å; T324-V335 HydrophobicContact CG2-CG2 4.02Å
325C98.1Very high95.8Very high9 Ų957.5 Ų57.56%0.06128%0.28CS..  trans-124.7102.4162175.90000106.9K271 D272 T327 D328 N331K271-C325 HydrophobicContact CG-CB 4.14Å; D272-C325 VanDerWaalsContact CG-SG 3.57Å; C325-T327 PolarHBondContact O-N 2.74Å; C325-T327 VanDerWaalsContact O-N 3.16Å; C325-T327 PolarHBondContact SG-OG1 3.46Å; C325-D328 HydrophobicContact CB-CB 3.93Å; C325-D328 WeakPolarHBondContact O-CB 3.3Å; C325-D328 PolarHBondContact O-N 2.88Å; C325-N331 PolarHBondContact N-OD1 2.91Å
326A97.9Very high96Very high5 Ų548.4 Ų48.44%0.04124%0.238CC..THydrogen-bonded Turntrans-63.6-20.9-173.900000113.6T48 I49 Q52 N269 D328T48-A326 HydrophobicContact CG2-CB 3.67Å; T48-A326 WeakPolarHBondContact CG2-O 3.33Å; I49-A326 HydrophobicContact CD1-CB 3.68Å; I49-A326 HydrophobicContact CG1-CB 4.23Å; Q52-A326 VanDerWaalsContact CG-O 3.23Å; Q52-A326 WeakPolarHBondContact CG-O 3.26Å; Q52-A326 PolarHBondContact NE2-O 2.83Å; N269-A326 PolarHBondContact OD1-N 3.2Å; A326-D328 VanDerWaalsContact C-N 3.34Å
327T97.4Very high96.4Very high27 Ų2744.4 Ų44.417%0.16622%0.216CC..THydrogen-bonded Turntrans-87.1-3.2175.152.60000113T48 Q172 L175 C325T48-T327 HydrophobicContact CG2-CG2 4.14Å; Q172-T327 PolarHBondContact NE2-O 2.74Å; Q172-T327 PolarHBondContact OE1-O 3.22Å; L175-T327 HydrophobicContact CB-CG2 4.28Å; C325-T327 PolarHBondContact O-N 2.74Å; C325-T327 VanDerWaalsContact O-N 3.16Å; C325-T327 PolarHBondContact SG-OG1 3.46Å
328D98.1Very high96.6Very high66 Ų6644.9 Ų44.935%0.35322%0.224SC..  trans-99.6103.9172.1176-9.7000109.9C325 A326 Q330 N331 V332C325-D328 HydrophobicContact CB-CB 3.93Å; C325-D328 WeakPolarHBondContact O-CB 3.3Å; C325-D328 PolarHBondContact O-N 2.88Å; A326-D328 VanDerWaalsContact C-N 3.34Å; D328-Q330 VanDerWaalsContact C-N 3.28Å; D328-Q330 PolarHBondContact O-N 2.54Å; D328-Q330 PolarHBondContact OD1-N 3.38Å; D328-N331 HydrophobicContact CB-CB 3.87Å; D328-N331 VanDerWaalsContact CG-CB 3.48Å; D328-N331 PolarHBondContact O-N 2.69Å; D328-N331 PolarHBondContact OD1-N 3.09Å; D328-N331 WeakPolarHBondContact OD2-CB 3.23Å; D328-V332 WeakPolarHBondContact O-CG2 3.23Å; D328-V332 PolarHBondContact O-N 2.91Å
329T98Very high96.6Very high37 Ų3738.8 Ų38.823%0.22720%0.195CC..Hα-helixtrans-60.3-34.8-177.9-51.50000113Q52 I55 I56 K333Q52-T329 PolarHBondContact NE2-OG1 3.13Å; Q52-T329 PolarHBondContact OE1-OG1 3.08Å; I55-T329 HydrophobicContact CG2-CG2 4.04Å; I56-T329 HydrophobicContact CD1-CG2 4.32Å; I56-T329 HydrophobicContact CG1-CG2 3.86Å; T329-K333 VanDerWaalsContact O-CB 3.23Å; T329-K333 WeakPolarHBondContact O-CB 3.46Å; T329-K333 PolarHBondContact O-N 2.95Å
330Q97.8Very high96.5Very high133 Ų13338.2 Ų38.262%0.62119%0.192SC*.Hα-helixtrans-72.3-42.2179-64.6-58.8-30.100110.8D328 K333 F334D328-Q330 VanDerWaalsContact C-N 3.28Å; D328-Q330 PolarHBondContact O-N 2.54Å; D328-Q330 PolarHBondContact OD1-N 3.38Å; Q330-K333 PolarHBondContact O-N 3.41Å; Q330-F334 WeakPolarHBondContact O-CB 3.27Å; Q330-F334 PolarHBondContact O-N 2.99Å
331N97.9Very high96.3Very high20 Ų2039.9 Ų39.911%0.10720%0.204CC..Hα-helixtrans-61.1-46.2175.1178.8-108.5000111.8K271 T324 C325 D328 F334 V335K271-N331 PolarHBondContact NZ-ND2 3.03Å; T324-N331 WeakPolarHBondContact CA-OD1 3.25Å; C325-N331 PolarHBondContact N-OD1 2.91Å; D328-N331 HydrophobicContact CB-CB 3.87Å; D328-N331 VanDerWaalsContact CG-CB 3.48Å; D328-N331 PolarHBondContact O-N 2.69Å; D328-N331 PolarHBondContact OD1-N 3.09Å; D328-N331 WeakPolarHBondContact OD2-CB 3.23Å; N331-F334 PolarHBondContact O-N 3.38Å; N331-V335 WeakPolarHBondContact O-CB 3.43Å; N331-V335 WeakPolarHBondContact O-CG2 3.41Å; N331-V335 PolarHBondContact O-N 2.92Å
332V97.9Very high95.8Very high3 Ų339.9 Ų39.92%0.01820%0.202CC..Hα-helixtrans-65.8-41.8179176.10000111.4I49 Q52 M53 I56 D328 F334 V335 F336I49-V332 HydrophobicContact CD1-CG1 4.13Å; I49-V332 HydrophobicContact CD1-CG2 3.84Å; Q52-V332 HydrophobicContact CB-CB 4.34Å; Q52-V332 HydrophobicContact CB-CG1 3.72Å; Q52-V332 HydrophobicContact CG-CB 4.23Å; Q52-V332 HydrophobicContact CG-CG1 4.09Å; Q52-V332 HydrophobicContact CG-CG2 4.1Å; M53-V332 HydrophobicContact CE-CG1 3.81Å; I56-V332 HydrophobicContact CD1-CB 4.3Å; I56-V332 HydrophobicContact CD1-CG1 3.98Å; D328-V332 WeakPolarHBondContact O-CG2 3.23Å; D328-V332 PolarHBondContact O-N 2.91Å; V332-F334 PolarHBondContact O-N 2.78Å; V332-V335 PolarHBondContact O-N 3.42Å; V332-F336 WeakPolarHBondContact O-CB 3.35Å; V332-F336 PolarHBondContact O-N 3Å
333K96.7Very high95.3Very high115 Ų11538 Ų3850%0.519%0.194SC..Hα-helixtrans-58.3-48.5175.6-176.4177.9179.2-179.60111.8I56 T329 Q330 D337I56-K333 HydrophobicContact CD1-CB 3.96Å; I56-K333 HydrophobicContact CG1-CB 4.49Å; I56-K333 HydrophobicContact CG2-CB 4.42Å; I56-K333 HydrophobicContact CG2-CD 4.36Å; I56-K333 HydrophobicContact CG2-CG 4.08Å; T329-K333 VanDerWaalsContact O-CB 3.23Å; T329-K333 WeakPolarHBondContact O-CB 3.46Å; T329-K333 PolarHBondContact O-N 2.95Å; Q330-K333 PolarHBondContact O-N 3.41Å; K333-D337 WeakPolarHBondContact O-CB 3.28Å; K333-D337 PolarHBondContact O-N 3.27Å
334F96.4Very high94.8Very high146 Ų14638.2 Ų38.264%0.6420%0.195SC*.Hα-helixtrans-62.5-47.7179174.8-97.6000112.3Q330 N331 V332 D337 A338Q330-F334 WeakPolarHBondContact O-CB 3.27Å; Q330-F334 PolarHBondContact O-N 2.99Å; N331-F334 PolarHBondContact O-N 3.38Å; V332-F334 PolarHBondContact O-N 2.78Å; F334-D337 PolarHBondContact O-N 2.94Å; F334-A338 PolarHBondContact O-N 2.62Å
335V95.2Very high94.2Very high3 Ų343.1 Ų43.12%0.01822%0.216CC..Hα-helixtrans-67.7-40.9-178.4172.60000111F267 H322 T324 N331 V332 D337 A338 V339F267-V335 HydrophobicContact CD1-CG1 4.23Å; F267-V335 HydrophobicContact CE1-CG1 3.4Å; F267-V335 VanDerWaalsContact CE1-CG1 3.4Å; F267-V335 HydrophobicContact CE2-CG1 4.4Å; F267-V335 HydrophobicContact CZ-CG1 3.52Å; H322-V335 HydrophobicContact CB-CG1 3.59Å; H322-V335 HydrophobicContact CB-CG2 4.1Å; T324-V335 HydrophobicContact CG2-CB 4.25Å; T324-V335 HydrophobicContact CG2-CG1 3.92Å; T324-V335 HydrophobicContact CG2-CG2 4.02Å; N331-V335 WeakPolarHBondContact O-CB 3.43Å; N331-V335 WeakPolarHBondContact O-CG2 3.41Å; N331-V335 PolarHBondContact O-N 2.92Å; V332-V335 PolarHBondContact O-N 3.42Å; V335-D337 VanDerWaalsContact C-N 3.32Å; V335-D337 PolarHBondContact O-N 2.96Å; V335-A338 PolarHBondContact O-N 2.9Å; V335-V339 HydrophobicContact CG1-CG2 4.44Å; V335-V339 WeakPolarHBondContact O-CG2 3.42Å; V335-V339 PolarHBondContact O-N 3.18Å
336F94.8Very high93.4Very high2 Ų244.6 Ų44.61%0.00922%0.222CC..Hα-helixtrans-67.4-33.3179.3-167-95.6000112.7L36 M53 H57 F189 F191 F196 M198 I222 V332 V339 T340L36-F336 HydrophobicContact CD1-CE2 3.63Å; L36-F336 HydrophobicContact CD1-CZ 3.67Å; M53-F336 HydrophobicContact CE-CB 4.27Å; M53-F336 HydrophobicContact CE-CD1 4.38Å; M53-F336 HydrophobicContact CE-CD2 4.03Å; M53-F336 HydrophobicContact CE-CG 3.95Å; M53-F336 HydrophobicContact SD-CD1 3.97Å; M53-F336 HydrophobicContact SD-CD2 3.8Å; M53-F336 HydrophobicContact SD-CE1 3.9Å; M53-F336 HydrophobicContact SD-CE2 3.72Å; M53-F336 HydrophobicContact SD-CG 3.93Å; M53-F336 HydrophobicContact SD-CZ 3.78Å; H57-F336 AromaticContact NE2-CD1 3.85Å; F189-F336 AromaticContact CE2-CE1 3.79Å; F189-F336 HydrophobicContact CE2-CE1 3.79Å; F189-F336 AromaticContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CE2-CZ 3.79Å; F189-F336 HydrophobicContact CZ-CE1 4.07Å; F189-F336 HydrophobicContact CZ-CE2 4.37Å; F189-F336 AromaticContact CZ-CZ 3.6Å; F189-F336 HydrophobicContact CZ-CZ 3.6Å; F191-F336 HydrophobicContact CD1-CD1 4.34Å; F191-F336 HydrophobicContact CD1-CE1 4.09Å; F191-F336 HydrophobicContact CE1-CD1 4.43Å; F196-F336 HydrophobicContact CD1-CZ 4.17Å; F196-F336 HydrophobicContact CE1-CE1 4.49Å; F196-F336 HydrophobicContact CE1-CZ 4.05Å; F196-F336 HydrophobicContact CZ-CE1 4.46Å; F196-F336 HydrophobicContact CZ-CZ 4.46Å; M198-F336 HydrophobicContact CE-CE2 3.8Å; M198-F336 HydrophobicContact CE-CZ 4.34Å; I222-F336 HydrophobicContact CD1-CE2 4.34Å; V332-F336 WeakPolarHBondContact O-CB 3.35Å; V332-F336 PolarHBondContact O-N 3Å; F336-V339 PolarHBondContact O-N 2.74Å; F336-T340 WeakPolarHBondContact O-CB 3.41Å; F336-T340 PolarHBondContact O-N 2.98Å; F336-T340 PolarHBondContact O-OG1 3.07Å
337D94.9Very high92.3Very high58 Ų5847 Ų4731%0.3124%0.235SC..Hα-helixtrans-61.7-47.4172.3-166.638.7000111.5F191 K192 K333 F334 V335 V339 T340 D341F191-D337 VanDerWaalsContact CZ-OD1 3.29Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.08Å; K192-D337 WeakPolarHBondContact CE-OD1 3.35Å; K192-D337 IonicContact NZ-OD1 2.59Å; K192-D337 PolarHBondContact NZ-OD1 3.09Å; K192-D337 IonicContact NZ-OD2 2.8Å; K333-D337 WeakPolarHBondContact O-CB 3.28Å; K333-D337 PolarHBondContact O-N 3.27Å; F334-D337 PolarHBondContact O-N 2.94Å; V335-D337 VanDerWaalsContact C-N 3.32Å; V335-D337 PolarHBondContact O-N 2.96Å; D337-V339 PolarHBondContact O-N 3.46Å; D337-T340 WeakPolarHBondContact O-CB 3.39Å; D337-T340 PolarHBondContact O-N 3.42Å; D337-T340 VanDerWaalsContact O-N 3.14Å; D337-D341 PolarHBondContact O-N 2.94Å
338A93.1Very high91.2Very high28 Ų2849.1 Ų49.123%0.23124%0.244CC..Hα-helixtrans-61.7-40.9175.700000112.7F334 V335 T340 D341 I342F334-A338 PolarHBondContact O-N 2.62Å; V335-A338 PolarHBondContact O-N 2.9Å; A338-T340 VanDerWaalsContact C-N 3.32Å; A338-T340 PolarHBondContact O-N 2.86Å; A338-D341 PolarHBondContact O-N 3.43Å; A338-I342 WeakPolarHBondContact O-CD1 3.35Å; A338-I342 WeakPolarHBondContact O-CG1 3.24Å; A338-I342 PolarHBondContact O-N 3.46Å; A338-I342 VanDerWaalsContact O-N 3.11Å
339V92.3Very high89.9Confident0 Ų051.1 Ų51.10%025%0.25CC..Hα-helixtrans-61.8-41.4173.9169.60000111.4V265 F267 V335 F336 D337 D341 I342 I343V265-V339 HydrophobicContact CB-CG2 4.3Å; V265-V339 HydrophobicContact CG1-CG2 3.73Å; V265-V339 HydrophobicContact CG2-CG1 4.03Å; V265-V339 HydrophobicContact CG2-CG2 4Å; F267-V339 HydrophobicContact CE1-CG2 3.91Å; F267-V339 HydrophobicContact CZ-CG2 4.19Å; V335-V339 HydrophobicContact CG1-CG2 4.44Å; V335-V339 WeakPolarHBondContact O-CG2 3.42Å; V335-V339 PolarHBondContact O-N 3.18Å; F336-V339 PolarHBondContact O-N 2.74Å; D337-V339 PolarHBondContact O-N 3.46Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.23Å; V339-I342 WeakPolarHBondContact O-CB 3.31Å; V339-I342 PolarHBondContact O-N 3.3Å; V339-I343 HydrophobicContact CG1-CD1 3.79Å; V339-I343 HydrophobicContact CG1-CG1 4.44Å; V339-I343 VanDerWaalsContact O-CG1 3.31Å; V339-I343 WeakPolarHBondContact O-CG1 3.44Å; V339-I343 PolarHBondContact O-N 3.37Å
340T93.4Very high88.4Confident0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-63.6-41.2178.2-60.20000111.3F191 K192 L194 F196 F336 D337 A338 I342 I343 I344F191-T340 HydrophobicContact CD1-CG2 3.86Å; F191-T340 HydrophobicContact CE1-CG2 3.85Å; F191-T340 WeakPolarHBondContact CE1-OG1 3.31Å; K192-T340 HydrophobicContact CD-CG2 3.96Å; L194-T340 HydrophobicContact CD1-CG2 4.33Å; F196-T340 HydrophobicContact CZ-CG2 3.88Å; F336-T340 WeakPolarHBondContact O-CB 3.41Å; F336-T340 PolarHBondContact O-N 2.98Å; F336-T340 PolarHBondContact O-OG1 3.07Å; D337-T340 WeakPolarHBondContact O-CB 3.39Å; D337-T340 PolarHBondContact O-N 3.42Å; D337-T340 VanDerWaalsContact O-N 3.14Å; A338-T340 VanDerWaalsContact C-N 3.32Å; A338-T340 PolarHBondContact O-N 2.86Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-I342 PolarHBondContact O-N 3.23Å; T340-I343 PolarHBondContact O-N 2.88Å; T340-I344 HydrophobicContact CG2-CD1 3.77Å; T340-I344 HydrophobicContact CG2-CG1 4.36Å; T340-I344 VanDerWaalsContact O-CG1 3.31Å; T340-I344 WeakPolarHBondContact O-CG1 3.31Å; T340-I344 PolarHBondContact O-N 3.19Å
341D91.2Very high86.7Confident78 Ų7854.2 Ų54.242%0.41728%0.275SS..Hα-helixtrans-64.6-37.1177.1-71.4-19.6000112.5K192 D337 A338 V339 K345K192-D341 IonicContact NZ-OD1 2.63Å; K192-D341 PolarHBondContact NZ-OD1 3.11Å; K192-D341 IonicContact NZ-OD2 2.9Å; K192-D341 PolarHBondContact NZ-OD2 2.85Å; D337-D341 PolarHBondContact O-N 2.94Å; A338-D341 PolarHBondContact O-N 3.43Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.23Å; D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.29Å; D341-K345 PolarHBondContact O-N 2.73Å
342I87Confident84.5Confident23 Ų2356.3 Ų56.312%0.11830%0.302CS..Hα-helixtrans-61.8-49.1172.5-69.6159000110.6Y320 A338 V339 T340 I344 K345 E346Y320-I342 HydrophobicContact CD1-CD1 3.53Å; Y320-I342 HydrophobicContact CD1-CG1 4.15Å; Y320-I342 HydrophobicContact CD2-CD1 4.03Å; Y320-I342 HydrophobicContact CD2-CG2 3.7Å; Y320-I342 HydrophobicContact CE1-CD1 3.97Å; Y320-I342 HydrophobicContact CE1-CG1 4.06Å; Y320-I342 HydrophobicContact CE1-CG2 4.3Å; Y320-I342 HydrophobicContact CE2-CD1 4.43Å; Y320-I342 HydrophobicContact CE2-CG1 4.49Å; Y320-I342 HydrophobicContact CE2-CG2 3.31Å; Y320-I342 HydrophobicContact CG-CD1 3.54Å; Y320-I342 HydrophobicContact CG-CG1 4.38Å; Y320-I342 HydrophobicContact CG-CG2 4.34Å; A338-I342 WeakPolarHBondContact O-CD1 3.35Å; A338-I342 WeakPolarHBondContact O-CG1 3.24Å; A338-I342 PolarHBondContact O-N 3.46Å; A338-I342 VanDerWaalsContact O-N 3.11Å; V339-I342 WeakPolarHBondContact O-CB 3.31Å; V339-I342 PolarHBondContact O-N 3.3Å; T340-I342 VanDerWaalsContact C-N 3.33Å; T340-I342 PolarHBondContact O-N 3.23Å; I342-I344 VanDerWaalsContact C-N 3.35Å; I342-I344 PolarHBondContact O-N 3.11Å; I342-K345 PolarHBondContact O-N 3.4Å; I342-E346 PolarHBondContact O-N 3.17Å
343I87.8Confident82.2Confident1 Ų162.3 Ų62.31%0.00533%0.333CS..Hα-helixtrans-60.7-45.1-179.8-68.7166.2000110.8V34 L36 T219 C220 V339 T340 K345 E346 N347V34-I343 HydrophobicContact CG1-CD1 4.29Å; V34-I343 HydrophobicContact CG1-CG2 4.04Å; V34-I343 HydrophobicContact CG2-CG2 4.17Å; L36-I343 HydrophobicContact CD2-CD1 3.7Å; T219-I343 HydrophobicContact CG2-CG2 3.93Å; C220-I343 HydrophobicContact CB-CD1 3.7Å; C220-I343 HydrophobicContact CB-CG1 3.86Å; V339-I343 HydrophobicContact CG1-CD1 3.79Å; V339-I343 HydrophobicContact CG1-CG1 4.44Å; V339-I343 VanDerWaalsContact O-CG1 3.31Å; V339-I343 WeakPolarHBondContact O-CG1 3.44Å; V339-I343 PolarHBondContact O-N 3.37Å; T340-I343 PolarHBondContact O-N 2.88Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.5Å; I343-E346 PolarHBondContact O-N 2.96Å; I343-N347 WeakPolarHBondContact O-CB 3.35Å; I343-N347 PolarHBondContact O-N 2.76Å; I343-N347 PolarHBondContact O-ND2 3.05Å
344I87.7Confident79.6Confident48 Ų4866.9 Ų66.925%0.24635%0.353CS..Hα-helixtrans-60.8-46.2177.4-71.1167.3000110.2K192 L194 T340 I342 E346 N347 L348K192-I344 HydrophobicContact CD-CD1 4.29Å; L194-I344 HydrophobicContact CD1-CD1 3.93Å; L194-I344 HydrophobicContact CD1-CG1 3.66Å; T340-I344 HydrophobicContact CG2-CD1 3.77Å; T340-I344 HydrophobicContact CG2-CG1 4.36Å; T340-I344 VanDerWaalsContact O-CG1 3.31Å; T340-I344 WeakPolarHBondContact O-CG1 3.31Å; T340-I344 PolarHBondContact O-N 3.19Å; I342-I344 VanDerWaalsContact C-N 3.35Å; I342-I344 PolarHBondContact O-N 3.11Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.37Å; I344-N347 PolarHBondContact O-N 3.44Å; I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.38Å; I344-L348 VanDerWaalsContact O-CG 3.24Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.83Å
345K84.7Confident78.7Confident104 Ų10462.9 Ų62.945%0.45234%0.339SS..Hα-helixtrans-60.6-41.4179.3-176.2-176.8179-174.20112.1D341 I342 I343 K349D341-K345 VanDerWaalsContact O-CB 3.29Å; D341-K345 WeakPolarHBondContact O-CB 3.29Å; D341-K345 PolarHBondContact O-N 2.73Å; I342-K345 PolarHBondContact O-N 3.4Å; I343-K345 VanDerWaalsContact C-N 3.34Å; I343-K345 PolarHBondContact O-N 3.5Å; K345-K349 WeakPolarHBondContact O-CG 3.35Å; K345-K349 PolarHBondContact O-N 3.46Å
346E80.7Confident77.9Confident40 Ų4066.1 Ų66.119%0.18736%0.356CS..Hα-helixtrans-72.4-43.2179.1-71.2-176.8-176.500112S263 Y320 I342 I343 I344 L348 K349 D350S263-E346 WeakPolarHBondContact CB-OE2 3.26Å; S263-E346 PolarHBondContact OG-OE2 3.27Å; Y320-E346 WeakPolarHBondContact CE2-OE1 3.19Å; Y320-E346 PolarHBondContact OH-OE1 2.94Å; I342-E346 PolarHBondContact O-N 3.17Å; I343-E346 PolarHBondContact O-N 2.96Å; I344-E346 VanDerWaalsContact C-N 3.33Å; I344-E346 PolarHBondContact O-N 3.37Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3Å; E346-K349 WeakPolarHBondContact O-CB 3.39Å; E346-K349 PolarHBondContact O-N 3.3Å; E346-K349 VanDerWaalsContact O-N 3.15Å; E346-D350 PolarHBondContact O-N 2.91Å; E346-D350 VanDerWaalsContact O-N 3.07Å
347N76.4Confident76.9Confident56 Ų5669.6 Ų69.630%0.29938%0.375SS..Hα-helixtrans-60.5-36.9174.3-76.7-26.5000112.7I343 I344 D350 C351I343-N347 WeakPolarHBondContact O-CB 3.35Å; I343-N347 PolarHBondContact O-N 2.76Å; I343-N347 PolarHBondContact O-ND2 3.05Å; I344-N347 PolarHBondContact O-N 3.44Å; N347-D350 PolarHBondContact O-N 3.08Å; N347-C351 PolarHBondContact O-N 3.42Å; N347-C351 PolarHBondContact O-SG 2.83Å
348L74.2Confident75.9Confident70 Ų7070.3 Ų70.337%0.36638%0.379SS..Hα-helixtrans-69.9-34.2176.7-73.3173.2000112.8I344 E346 C351 G352 L353I344-L348 HydrophobicContact CG2-CD1 3.79Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CB 3.38Å; I344-L348 VanDerWaalsContact O-CG 3.24Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3Å; L348-C351 PolarHBondContact O-N 3.4Å; L348-G352 PolarHBondContact O-N 3.14Å; L348-L353 HydrophobicContact CD2-CD1 4.06Å; L348-L353 PolarHBondContact O-N 2.71Å
349K70.6Confident74.8Confident108 Ų10872.9 Ų72.947%0.4739%0.388SS..Hα-helixtrans-63.7-43.5172.5-75.9175.2175.6-174.20111.1K345 E346 C351 G352 F354K345-K349 WeakPolarHBondContact O-CG 3.35Å; K345-K349 PolarHBondContact O-N 3.46Å; E346-K349 WeakPolarHBondContact O-CB 3.39Å; E346-K349 PolarHBondContact O-N 3.3Å; E346-K349 VanDerWaalsContact O-N 3.15Å; K349-C351 PolarHBondContact O-N 3.05Å; K349-G352 PolarHBondContact O-N 2.83Å; K349-F354 HydrophobicContact CG-CB 4.25Å
350D67Low73.6Confident141 Ų14177.8 Ų77.875%0.75441%0.414SS*.Hα-helixtrans-63.4-27177.8-72.7-11.6000112.5E346 N347 G352E346-D350 PolarHBondContact O-N 2.91Å; E346-D350 VanDerWaalsContact O-N 3.07Å; N347-D350 PolarHBondContact O-N 3.08Å; D350-G352 VanDerWaalsContact C-N 3.31Å; D350-G352 PolarHBondContact O-N 3.3Å
351C61.9Low72.2Confident94 Ų9483.4 Ų83.464%0.63544%0.444SS*.THydrogen-bonded Turntrans-81.4-1.8174.4-63.40000114.3N347 L348 K349 L353N347-C351 PolarHBondContact O-N 3.42Å; N347-C351 PolarHBondContact O-SG 2.83Å; L348-C351 PolarHBondContact O-N 3.4Å; K349-C351 PolarHBondContact O-N 3.05Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 HydrophobicContact CB-CD1 4.32Å; C351-L353 HydrophobicContact CB-CG 4.47Å; C351-L353 PolarHBondContact O-N 3.49Å
352G51.6Low70.8Confident64 Ų6483.8 Ų83.866%0.6645%0.446SS*.THydrogen-bonded Turntrans7222.6-17900000114.7L348 K349 D350 F354L348-G352 PolarHBondContact O-N 3.14Å; K349-G352 PolarHBondContact O-N 2.83Å; D350-G352 VanDerWaalsContact C-N 3.31Å; D350-G352 PolarHBondContact O-N 3.3Å; G352-F354 VanDerWaalsContact C-N 3.34Å
353L49.4Very low69.4Low129 Ų12988.8 Ų88.868%0.67547%0.473SS*.  trans-93.717.5179.3-70.9169.4000113.4L348 C351L348-L353 HydrophobicContact CD2-CD1 4.06Å; L348-L353 PolarHBondContact O-N 2.71Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 HydrophobicContact CB-CD1 4.32Å; C351-L353 HydrophobicContact CB-CG 4.47Å; C351-L353 PolarHBondContact O-N 3.49Å
354F41.3Very low67.8Low211 Ų21196.8 Ų96.893%0.92552%0.516SS*.  trans-1360177.4-119.1-79000113.3K349 G352K349-F354 HydrophobicContact CG-CB 4.25Å; G352-F354 VanDerWaalsContact C-N 3.34Å

Retrieved 354 of 354 residues in 76 ms (Link to these results)