A0A3Q0KPK2_SCHMA Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I.

AlphaFold DB , UniProt , Accession A0A3Q0KPK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,380 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
1M68.3Low86.1Confident115 Ų11559 Ų5957%0.56729%0.285SS*.  0136.70-87.4177.150.500109.7L6 V55 L59M1-L6 HydrophobicContact CE-CD2 3.89Å; M1-V55 HydrophobicContact CE-CG1 3.44Å; M1-V55 VanDerWaalsContact CE-CG1 3.44Å; M1-V55 HydrophobicContact SD-CG1 4.23Å; M1-L59 HydrophobicContact CB-CD2 4.29Å; M1-L59 HydrophobicContact CE-CD1 4.15Å; M1-L59 HydrophobicContact CE-CD2 3.52Å; M1-L59 HydrophobicContact CE-CG 3.63Å; M1-L59 HydrophobicContact SD-CD2 4.12Å; M1-L59 HydrophobicContact SD-CG 4.45Å
2D77.5Confident86.8Confident74 Ų7454.1 Ų54.140%0.39626%0.261SS..  trans-87.9102.6175.2-175.6-8.5000109.8K4 K5 L6D2-K4 PolarHBondContact O-N 3.43Å; D2-K4 WeakPolarHBondContact OD1-CB 3.45Å; D2-K4 PolarHBondContact OD1-N 3.47Å; D2-K4 VanDerWaalsContact OD1-N 3.1Å; D2-K5 HydrophobicContact CB-CB 4.34Å; D2-K5 HydrophobicContact CB-CD 4.09Å; D2-K5 HydrophobicContact CB-CG 4.06Å; D2-K5 PolarHBondContact O-N 2.9Å; D2-K5 VanDerWaalsContact O-N 3.13Å; D2-L6 PolarHBondContact O-N 2.62Å
3K79.8Confident87.4Confident76 Ų7649.9 Ų49.933%0.3324%0.241SC..Hα-helixtrans-58.7-31-177.9-174.4163.7-178.4154.20112.2K5 L6 D7 D65K3-K5 PolarHBondContact O-N 3.09Å; K3-L6 PolarHBondContact O-N 3.28Å; K3-D7 PolarHBondContact O-N 3.15Å; K3-D65 VanDerWaalsContact NZ-CG 3.28Å; K3-D65 IonicContact NZ-OD1 3.58Å; K3-D65 PolarHBondContact NZ-OD1 2.9Å; K3-D65 IonicContact NZ-OD2 2.68Å; K3-D65 PolarHBondContact NZ-OD2 3.24Å
4K84.7Confident87.9Confident136 Ų13653.8 Ų53.859%0.59126%0.259SS*.Hα-helixtrans-65-39.2178.1-64.6-178.9177.1179.30112.2D2 L6 F8 L383D2-K4 PolarHBondContact O-N 3.43Å; D2-K4 WeakPolarHBondContact OD1-CB 3.45Å; D2-K4 PolarHBondContact OD1-N 3.47Å; D2-K4 VanDerWaalsContact OD1-N 3.1Å; K4-L6 VanDerWaalsContact C-N 3.34Å; K4-F8 WeakPolarHBondContact O-CB 3.03Å; K4-F8 PolarHBondContact O-N 3.24Å; K4-F8 VanDerWaalsContact O-N 3.08Å; K4-L383 HydrophobicContact CD-CD2 4.21Å
5K87.5Confident88.2Confident55 Ų5552.6 Ų52.624%0.23926%0.258CS..Hα-helixtrans-65.2-41.1174.4-67.6-175.9-174.6-174.40110.8D2 K3 F8 Y9 E436 L438D2-K5 HydrophobicContact CB-CB 4.34Å; D2-K5 HydrophobicContact CB-CD 4.09Å; D2-K5 HydrophobicContact CB-CG 4.06Å; D2-K5 PolarHBondContact O-N 2.9Å; D2-K5 VanDerWaalsContact O-N 3.13Å; K3-K5 PolarHBondContact O-N 3.09Å; K5-F8 WeakPolarHBondContact O-CB 3.48Å; K5-F8 PolarHBondContact O-N 3.01Å; K5-Y9 HydrophobicContact CB-CE2 4.42Å; K5-Y9 WeakPolarHBondContact O-CD2 3.33Å; K5-Y9 PolarHBondContact O-N 3.45Å; K5-E436 IonicContact NZ-OE1 2.8Å; K5-E436 IonicContact NZ-OE2 3.39Å; K5-E436 PolarHBondContact NZ-OE2 2.89Å; K5-L438 HydrophobicContact CB-CD1 4.28Å
6L88Confident88.5Confident0 Ų049.3 Ų49.30%024%0.242CC..Hα-helixtrans-65.5-46.3179.2-171.565.3000112.5M1 D2 K3 K4 F8 Y9 F10 L52 V55 Y56 L59M1-L6 HydrophobicContact CE-CD2 3.89Å; D2-L6 PolarHBondContact O-N 2.62Å; K3-L6 PolarHBondContact O-N 3.28Å; K4-L6 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 2.71Å; L6-Y9 PolarHBondContact O-N 3.19Å; L6-F10 PolarHBondContact O-N 3.47Å; L6-L52 HydrophobicContact CD1-CD1 3.49Å; L6-L52 VanDerWaalsContact CD1-CD1 3.49Å; L6-V55 HydrophobicContact CD1-CB 4.07Å; L6-V55 HydrophobicContact CD1-CG1 3.47Å; L6-V55 VanDerWaalsContact CD1-CG1 3.47Å; L6-V55 HydrophobicContact CD2-CG1 4.33Å; L6-Y56 HydrophobicContact CD1-CD2 4.31Å; L6-Y56 HydrophobicContact CD1-CE2 4.03Å; L6-Y56 HydrophobicContact CD2-CD1 3.65Å; L6-Y56 HydrophobicContact CD2-CD2 4.23Å; L6-Y56 HydrophobicContact CD2-CE1 3.43Å; L6-Y56 VanDerWaalsContact CD2-CE1 3.43Å; L6-Y56 HydrophobicContact CD2-CE2 4.04Å; L6-Y56 HydrophobicContact CD2-CG 4.04Å; L6-Y56 HydrophobicContact CG-CD1 4.48Å; L6-Y56 HydrophobicContact CG-CD2 4.38Å; L6-Y56 HydrophobicContact CG-CE1 3.96Å; L6-Y56 HydrophobicContact CG-CE2 3.85Å; L6-L59 HydrophobicContact CD2-CD1 3.45Å; L6-L59 VanDerWaalsContact CD2-CD1 3.45Å; L6-L59 HydrophobicContact CD2-CG 4.4Å
7D88Confident88.8Confident50 Ų5046.4 Ų46.427%0.26723%0.228SC..Hα-helixtrans-60.4-36.1175.5-71-32.4000111.3K3 F10 T11 R68K3-D7 PolarHBondContact O-N 3.15Å; D7-F10 PolarHBondContact O-N 3.39Å; D7-T11 WeakPolarHBondContact O-CB 3.48Å; D7-T11 PolarHBondContact O-N 3.01Å; D7-T11 PolarHBondContact O-OG1 2.83Å; D7-R68 IonicContact OD1-CZ 3.08Å; D7-R68 IonicContact OD1-NH1 2.83Å; D7-R68 PolarHBondContact OD1-NH1 3.37Å
8F92.8Very high89.2Confident31 Ų3145.6 Ų45.614%0.13623%0.225CC..Hα-helixtrans-62.3-50.4173.5167.9-97.5000112.1K4 K5 L6 F10 T11 L12 R385K4-F8 WeakPolarHBondContact O-CB 3.03Å; K4-F8 PolarHBondContact O-N 3.24Å; K4-F8 VanDerWaalsContact O-N 3.08Å; K5-F8 WeakPolarHBondContact O-CB 3.48Å; K5-F8 PolarHBondContact O-N 3.01Å; L6-F8 PolarHBondContact O-N 2.71Å; F8-F10 VanDerWaalsContact C-N 3.3Å; F8-F10 PolarHBondContact O-N 3.05Å; F8-T11 PolarHBondContact O-N 3.44Å; F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CZ-CD2 4.44Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.3Å; F8-R385 HydrophobicContact CD2-CB 3.77Å; F8-R385 HydrophobicContact CE2-CB 3.5Å; F8-R385 WeakPolarHBondContact CE2-O 3.46Å; F8-R385 HydrophobicContact CG-CB 4.5Å; F8-R385 HydrophobicContact CZ-CB 4.03Å
9Y93.8Very high89.4Confident9 Ų947.1 Ų47.14%0.03524%0.239CC..Hα-helixtrans-67-32179.3-69.6-62.2000112.7K5 L6 L12 L13 S432 I433 E436 L438K5-Y9 HydrophobicContact CB-CE2 4.42Å; K5-Y9 WeakPolarHBondContact O-CD2 3.33Å; K5-Y9 PolarHBondContact O-N 3.45Å; L6-Y9 PolarHBondContact O-N 3.19Å; Y9-L12 HydrophobicContact CD1-CD2 4.41Å; Y9-L12 PolarHBondContact O-N 2.72Å; Y9-L13 VanDerWaalsContact O-CB 3.29Å; Y9-L13 WeakPolarHBondContact O-CB 3.22Å; Y9-L13 PolarHBondContact O-N 2.95Å; Y9-S432 VanDerWaalsContact CE1-CB 3.49Å; Y9-I433 HydrophobicContact CD1-CG2 4.18Å; Y9-I433 HydrophobicContact CD2-CG2 3.7Å; Y9-I433 HydrophobicContact CE2-CG2 4.14Å; Y9-I433 HydrophobicContact CG-CG2 3.75Å; Y9-E436 HydrophobicContact CE2-CG 4.5Å; Y9-L438 HydrophobicContact CD2-CD1 3.84Å; Y9-L438 HydrophobicContact CE2-CD1 3.88Å
10F93.1Very high89.6Confident33 Ų3348.4 Ų48.415%0.14524%0.241CC..Hα-helixtrans-62.7-49.9170.4-177.5-89.7000111.6L6 D7 F8 L12 L13 E14 L52 Y56 R68 L72L6-F10 PolarHBondContact O-N 3.47Å; D7-F10 PolarHBondContact O-N 3.39Å; F8-F10 VanDerWaalsContact C-N 3.3Å; F8-F10 PolarHBondContact O-N 3.05Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 3.1Å; F10-L13 PolarHBondContact O-N 3.37Å; F10-E14 WeakPolarHBondContact O-CB 3.26Å; F10-E14 PolarHBondContact O-N 3.37Å; F10-L52 HydrophobicContact CB-CD2 4.02Å; F10-L52 HydrophobicContact CD2-CD2 4.04Å; F10-Y56 HydrophobicContact CB-CE2 4.24Å; F10-Y56 WeakPolarHBondContact CB-OH 2.89Å; F10-Y56 AromaticContact CD2-CE2 3.85Å; F10-Y56 HydrophobicContact CD2-CE2 3.85Å; F10-Y56 HydrophobicContact CG-CE2 4.4Å; F10-R68 HydrophobicContact CE2-CG 4.4Å; F10-L72 HydrophobicContact CD2-CD1 4.23Å; F10-L72 HydrophobicContact CE2-CD1 4.29Å; F10-L72 HydrophobicContact CE2-CD2 4.14Å; F10-L72 HydrophobicContact CE2-CG 4.31Å
11T93.7Very high89.9Confident70 Ų7047.5 Ų47.543%0.42924%0.236SC..Hα-helixtrans-58.3-42.7176.6-53.90000111.1D7 F8 E14 S15D7-T11 WeakPolarHBondContact O-CB 3.48Å; D7-T11 PolarHBondContact O-N 3.01Å; D7-T11 PolarHBondContact O-OG1 2.83Å; F8-T11 PolarHBondContact O-N 3.44Å; T11-E14 PolarHBondContact O-N 3.01Å; T11-S15 WeakPolarHBondContact O-CB 3.27Å; T11-S15 PolarHBondContact O-N 3Å; T11-S15 PolarHBondContact O-OG 2.87Å
12L94.3Very high91.2Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-65-43.1177.5179.762.5000112F8 Y9 F10 E14 S15 S16 C387 Y389 Y428 I429F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CZ-CD2 4.44Å; F8-L12 WeakPolarHBondContact O-CB 3.34Å; F8-L12 PolarHBondContact O-N 3.3Å; Y9-L12 HydrophobicContact CD1-CD2 4.41Å; Y9-L12 PolarHBondContact O-N 2.72Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 3.1Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-S15 PolarHBondContact O-OG 3.5Å; L12-S16 VanDerWaalsContact O-CB 3.24Å; L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 3.2Å; L12-S16 PolarHBondContact O-OG 2.91Å; L12-C387 HydrophobicContact CD1-CB 3.91Å; L12-Y389 HydrophobicContact CD1-CE1 4.31Å; L12-Y428 HydrophobicContact CD2-CD1 4.4Å; L12-Y428 HydrophobicContact CD2-CE1 3.9Å; L12-I429 HydrophobicContact CD2-CG1 3.96Å; L12-I429 HydrophobicContact CG-CD1 4.3Å; L12-I429 HydrophobicContact CG-CG1 4.29Å
13L95.3Very high91.9Very high0 Ų045.2 Ų45.20%023%0.232CC..Hα-helixtrans-63.6-42.9176.5-178.971.8000111Y9 F10 I17 L18 I49 L52 L72 I429Y9-L13 VanDerWaalsContact O-CB 3.29Å; Y9-L13 WeakPolarHBondContact O-CB 3.22Å; Y9-L13 PolarHBondContact O-N 2.95Å; F10-L13 PolarHBondContact O-N 3.37Å; L13-I17 HydrophobicContact CD1-CB 4.11Å; L13-I17 HydrophobicContact CD1-CD1 3.98Å; L13-I17 HydrophobicContact CD1-CG1 4.42Å; L13-I17 PolarHBondContact O-N 3.49Å; L13-L18 HydrophobicContact CD2-CD1 3.93Å; L13-L18 HydrophobicContact CD2-CG 4.45Å; L13-L18 HydrophobicContact CG-CD1 4.02Å; L13-L18 HydrophobicContact CG-CG 4.15Å; L13-L18 PolarHBondContact O-N 2.95Å; L13-I49 HydrophobicContact CD1-CG1 3.92Å; L13-I49 HydrophobicContact CD2-CB 4.35Å; L13-I49 HydrophobicContact CD2-CG1 4.15Å; L13-I49 HydrophobicContact CD2-CG2 4.42Å; L13-I49 HydrophobicContact CG-CG1 4.44Å; L13-L52 HydrophobicContact CB-CD2 4.27Å; L13-L52 HydrophobicContact CD2-CB 4.4Å; L13-L52 HydrophobicContact CD2-CD2 3.6Å; L13-L72 HydrophobicContact CD2-CD2 3.77Å; L13-I429 HydrophobicContact CB-CD1 4.24Å; L13-I429 HydrophobicContact CD1-CD1 3.88Å
14E93.7Very high92.6Very high104 Ų10447.6 Ų47.649%0.48625%0.247SC..Hα-helixtrans-62.4-48.6178.2-168-179.8-17600111.3F10 T11 L12 C19F10-E14 WeakPolarHBondContact O-CB 3.26Å; F10-E14 PolarHBondContact O-N 3.37Å; T11-E14 PolarHBondContact O-N 3.01Å; L12-E14 VanDerWaalsContact C-N 3.35Å; E14-C19 VanDerWaalsContact O-CB 3.27Å; E14-C19 WeakPolarHBondContact O-CB 3.33Å; E14-C19 PolarHBondContact O-N 3.3Å
15S92.6Very high93.1Very high36 Ų3641.1 Ų41.125%0.25222%0.219SC..Hα-helixtrans-74.4-25.6-176.770.30000114.4T11 L12 C19T11-S15 WeakPolarHBondContact O-CB 3.27Å; T11-S15 PolarHBondContact O-N 3Å; T11-S15 PolarHBondContact O-OG 2.87Å; L12-S15 PolarHBondContact O-OG 3.5Å; S15-C19 PolarHBondContact O-SG 3.1Å
16S92.4Very high93.6Very high0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-106.2-28.2-173.467.70000115.7L12 Y20 Q425L12-S16 VanDerWaalsContact O-CB 3.24Å; L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 3.2Å; L12-S16 PolarHBondContact O-OG 2.91Å; S16-Y20 WeakPolarHBondContact O-CD2 3.49Å; S16-Y20 WeakPolarHBondContact O-CE2 3.44Å; S16-Q425 WeakPolarHBondContact OG-CG 3.22Å
17I94.9Very high94Very high0 Ų038.7 Ų38.70%021%0.209CC..THydrogen-bonded Turntrans-123.9-58.1-174.4-62-176.2000111L13 C19 Y20 I28 A45 I49 Q425 I429L13-I17 HydrophobicContact CD1-CB 4.11Å; L13-I17 HydrophobicContact CD1-CD1 3.98Å; L13-I17 HydrophobicContact CD1-CG1 4.42Å; L13-I17 PolarHBondContact O-N 3.49Å; I17-C19 VanDerWaalsContact C-N 3.29Å; I17-C19 PolarHBondContact O-N 3.17Å; I17-Y20 PolarHBondContact O-N 2.58Å; I17-Y20 VanDerWaalsContact O-N 3.14Å; I17-I28 HydrophobicContact CG2-CD1 3.73Å; I17-A45 HydrophobicContact CG2-CB 4.16Å; I17-I49 HydrophobicContact CG2-CD1 4.34Å; I17-Q425 HydrophobicContact CD1-CB 4.49Å; I17-Q425 HydrophobicContact CD1-CG 4.33Å; I17-Q425 HydrophobicContact CG1-CG 4.29Å; I17-I429 HydrophobicContact CD1-CD1 4.08Å
18L94.9Very high94.5Very high32 Ų3236.4 Ų36.417%0.16820%0.196CC..G310 helixtrans-68.9-26.4-172.3-64.1171.7000113L13 Y20 Q21 I49 L72 C75L13-L18 HydrophobicContact CD2-CD1 3.93Å; L13-L18 HydrophobicContact CD2-CG 4.45Å; L13-L18 HydrophobicContact CG-CD1 4.02Å; L13-L18 HydrophobicContact CG-CG 4.15Å; L13-L18 PolarHBondContact O-N 2.95Å; L18-Y20 PolarHBondContact O-N 3.47Å; L18-Y20 VanDerWaalsContact O-N 3.12Å; L18-Q21 WeakPolarHBondContact O-CB 3.41Å; L18-Q21 PolarHBondContact O-N 2.92Å; L18-I49 HydrophobicContact CD2-CD1 3.64Å; L18-I49 HydrophobicContact CD2-CG1 3.97Å; L18-I49 HydrophobicContact CD2-CG2 4.35Å; L18-L72 HydrophobicContact CD1-CD2 3.82Å; L18-C75 HydrophobicContact CD2-CB 4.1Å
19C93.4Very high94.6Very high73 Ų7335.6 Ų35.649%0.49319%0.194SC..G310 helixtrans-58.5-22.7173.565.50000113.6E14 S15 I17E14-C19 VanDerWaalsContact O-CB 3.27Å; E14-C19 WeakPolarHBondContact O-CB 3.33Å; E14-C19 PolarHBondContact O-N 3.3Å; S15-C19 PolarHBondContact O-SG 3.1Å; I17-C19 VanDerWaalsContact C-N 3.29Å; I17-C19 PolarHBondContact O-N 3.17Å
20Y93.9Very high94.3Very high73 Ų7336.4 Ų36.429%0.28620%0.201SC..G310 helixtrans-97.7-9.6177-58.5-61000113.2S16 I17 L18 H22 P29 I422S16-Y20 WeakPolarHBondContact O-CD2 3.49Å; S16-Y20 WeakPolarHBondContact O-CE2 3.44Å; I17-Y20 PolarHBondContact O-N 2.58Å; I17-Y20 VanDerWaalsContact O-N 3.14Å; L18-Y20 PolarHBondContact O-N 3.47Å; L18-Y20 VanDerWaalsContact O-N 3.12Å; Y20-H22 PolarHBondContact O-N 3.04Å; Y20-P29 WeakPolarHBondContact O-CD 3.4Å; Y20-I422 HydrophobicContact CD2-CD1 4.07Å; Y20-I422 HydrophobicContact CE2-CD1 4.49Å
21Q95.6Very high93.9Very high31 Ų3136.7 Ų36.715%0.14521%0.207CC..  trans-67.9120.6-177.4-169179.32700110.8L18 S23 G26 I28 C75L18-Q21 WeakPolarHBondContact O-CB 3.41Å; L18-Q21 PolarHBondContact O-N 2.92Å; Q21-S23 PolarHBondContact O-N 3.21Å; Q21-G26 VanDerWaalsContact CG-O 3.27Å; Q21-G26 WeakPolarHBondContact CG-O 3.39Å; Q21-G26 PolarHBondContact NE2-O 3.46Å; Q21-I28 HydrophobicContact CB-CD1 4.49Å; Q21-I28 HydrophobicContact CB-CG1 3.89Å; Q21-I28 HydrophobicContact CG-CG1 3.98Å; Q21-C75 PolarHBondContact NE2-O 3.36Å
22H95.8Very high93.2Very high49 Ų4937.9 Ų37.923%0.22722%0.218CC..  trans-72.4132.1-178.1-175.6-104.1000111.9Y20 I24 T25 G26 L27Y20-H22 PolarHBondContact O-N 3.04Å; H22-I24 VanDerWaalsContact C-N 3.27Å; H22-I24 PolarHBondContact O-N 3.12Å; H22-T25 WeakPolarHBondContact CB-OG1 3.41Å; H22-T25 PolarHBondContact ND1-N 2.96Å; H22-T25 PolarHBondContact ND1-OG1 2.59Å; H22-G26 WeakPolarHBondContact O-CA 3.4Å; H22-G26 PolarHBondContact O-N 3.02Å; H22-L27 WeakPolarHBondContact CB-O 3.44Å; H22-L27 PolarHBondContact N-O 2.93Å
23S91.9Very high92.7Very high92 Ų9247.4 Ų47.464%0.64326%0.26SS*.THydrogen-bonded Turntrans-71.7-10.1-168.863.90000115.3Q21 K78Q21-S23 PolarHBondContact O-N 3.21Å; S23-K78 VanDerWaalsContact C-NZ 3.34Å; S23-K78 VanDerWaalsContact O-CE 3.26Å; S23-K78 WeakPolarHBondContact O-CE 3.03Å; S23-K78 PolarHBondContact O-NZ 3.13Å
24I93.6Very high92.4Very high125 Ų12548.9 Ų48.964%0.64127%0.27SS*.THydrogen-bonded Turntrans-108.2-56175-60.6173.5000109.5H22 G26 K78H22-I24 VanDerWaalsContact C-N 3.27Å; H22-I24 PolarHBondContact O-N 3.12Å; I24-G26 PolarHBondContact O-N 3.22Å; I24-K78 WeakPolarHBondContact O-CE 3.23Å
25T96.6Very high92.3Very high1 Ų146.1 Ų46.11%0.00626%0.262CS..THydrogen-bonded Turntrans-75.6-26.3-171.857.70000113.8H22 L27 G82 S113 T114 Y116H22-T25 WeakPolarHBondContact CB-OG1 3.41Å; H22-T25 PolarHBondContact ND1-N 2.96Å; H22-T25 PolarHBondContact ND1-OG1 2.59Å; T25-L27 PolarHBondContact O-N 3.34Å; T25-L27 PolarHBondContact OG1-N 3.05Å; T25-G82 WeakPolarHBondContact O-CA 3.35Å; T25-S113 WeakPolarHBondContact CB-O 3.4Å; T25-S113 WeakPolarHBondContact CG2-O 3.37Å; T25-S113 PolarHBondContact OG1-O 2.6Å; T25-T114 VanDerWaalsContact CG2-O 3.31Å; T25-T114 WeakPolarHBondContact CG2-O 3.44Å; T25-Y116 VanDerWaalsContact CA-OH 3.29Å; T25-Y116 WeakPolarHBondContact CA-OH 3.49Å; T25-Y116 HydrophobicContact CG2-CD1 3.95Å; T25-Y116 HydrophobicContact CG2-CD2 4.07Å; T25-Y116 HydrophobicContact CG2-CE1 3.65Å; T25-Y116 HydrophobicContact CG2-CE2 3.79Å; T25-Y116 HydrophobicContact CG2-CG 4.18Å
26G96.6Very high92.4Very high0 Ų047 Ų470%026%0.262CS..  trans77.8-8.2-171.200000114.6Q21 H22 I24 L79Q21-G26 VanDerWaalsContact CG-O 3.27Å; Q21-G26 WeakPolarHBondContact CG-O 3.39Å; Q21-G26 PolarHBondContact NE2-O 3.46Å; H22-G26 WeakPolarHBondContact O-CA 3.4Å; H22-G26 PolarHBondContact O-N 3.02Å; I24-G26 PolarHBondContact O-N 3.22Å; G26-L79 WeakPolarHBondContact O-CA 3.38Å; G26-L79 WeakPolarHBondContact O-CD1 3.44Å
27L98Very high92.6Very high4 Ų447 Ų472%0.02126%0.263CS..  trans-76.2150.3-177.2-64.3177.4000111.6H22 T25 A37 N42 I83 Y116H22-L27 WeakPolarHBondContact CB-O 3.44Å; H22-L27 PolarHBondContact N-O 2.93Å; T25-L27 PolarHBondContact O-N 3.34Å; T25-L27 PolarHBondContact OG1-N 3.05Å; L27-A37 HydrophobicContact CB-CB 4.05Å; L27-A37 HydrophobicContact CD1-CB 4.37Å; L27-N42 WeakPolarHBondContact CA-OD1 3.48Å; L27-I83 HydrophobicContact CD2-CG1 4.08Å; L27-Y116 HydrophobicContact CD1-CD1 4.05Å; L27-Y116 HydrophobicContact CD1-CE1 4.5Å
28I97.5Very high92.7Very high1 Ų149 Ų491%0.00527%0.271CS..  trans-113.5118.7179.5-61.9162.6000107.9I17 Q21 A37 N42 A45 I49 L79 I422I17-I28 HydrophobicContact CG2-CD1 3.73Å; Q21-I28 HydrophobicContact CB-CD1 4.49Å; Q21-I28 HydrophobicContact CB-CG1 3.89Å; Q21-I28 HydrophobicContact CG-CG1 3.98Å; I28-A37 WeakPolarHBondContact O-CB 3.36Å; I28-N42 PolarHBondContact N-OD1 3.15Å; I28-N42 PolarHBondContact O-ND2 2.96Å; I28-N42 PolarHBondContact O-OD1 3.31Å; I28-A45 HydrophobicContact CD1-CB 3.82Å; I28-I49 HydrophobicContact CD1-CD1 4.48Å; I28-L79 HydrophobicContact CD1-CD1 4.05Å; I28-L79 HydrophobicContact CD1-CD2 3.86Å; I28-L79 HydrophobicContact CG1-CD1 4.18Å; I28-I422 HydrophobicContact CG2-CD1 4.33Å; I28-I422 HydrophobicContact CG2-CG1 4.36Å; I28-I422 HydrophobicContact CG2-CG2 4.14Å
29P95.7Very high92.8Very high15 Ų1547.7 Ų47.710%0.09726%0.263CS..  trans-69.6154.6172.128.9-32000111.5Y20 S31 S34 H36Y20-P29 WeakPolarHBondContact O-CD 3.4Å; P29-S31 PolarHBondContact O-N 3.35Å; P29-S34 WeakPolarHBondContact CB-O 3.29Å; P29-H36 CarbonylContact C-O 3.54Å; P29-H36 WeakPolarHBondContact CA-O 3.29Å
30S87.1Confident93Very high26 Ų2644.7 Ų44.718%0.18224%0.242CC..SBendtrans-68.2-20.7179.366.20000114.2H36 W38S30-H36 PolarHBondContact N-O 3.18Å; S30-W38 VanDerWaalsContact OG-CZ3 3.24Å; S30-W38 WeakPolarHBondContact OG-CZ3 3.29Å
31S84.3Confident93.1Very high39 Ų3942 Ų4227%0.27323%0.233SC..BIsolated β-bridgetrans-157.7163176.866.20000110.9P29 K33 S34P29-S31 PolarHBondContact O-N 3.35Å; S31-K33 PolarHBondContact O-N 3.48Å; S31-K33 VanDerWaalsContact O-N 3.15Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-S34 PolarHBondContact OG-N 3.37Å
32S79.1Confident93.2Very high94 Ų9440.7 Ų40.766%0.65723%0.226SC*.THydrogen-bonded Turntrans-62.6-19.2175.157.80000114.7
33K84.2Confident93.3Very high200 Ų20038.3 Ų38.387%0.8722%0.215SC*.THydrogen-bonded Turntrans-92.9-15.4-177.4-63.5-179.3-177.2175.20113.5S31S31-K33 PolarHBondContact O-N 3.48Å; S31-K33 VanDerWaalsContact O-N 3.15Å
34S88.7Confident93.6Very high32 Ų3234 Ų3422%0.22419%0.185CC..BIsolated β-bridgetrans-122.3138.3-174.8179.90000109.7P29 S31 H36P29-S34 WeakPolarHBondContact CB-O 3.29Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-S34 PolarHBondContact OG-N 3.37Å; S34-H36 WeakPolarHBondContact OG-CB 3.32Å; S34-H36 PolarHBondContact OG-N 3.08Å; S34-H36 VanDerWaalsContact OG-N 3.12Å
35S91.8Very high93.8Very high46 Ų4628.1 Ų28.132%0.32216%0.155SC..  trans-82.2-2.6170.666.10000112.8A37 D112 S113S35-A37 PolarHBondContact O-N 3.29Å; S35-D112 WeakPolarHBondContact CB-OD2 3.31Å; S35-D112 PolarHBondContact OG-OD2 2.53Å; S35-S113 VanDerWaalsContact O-CB 3.22Å; S35-S113 WeakPolarHBondContact O-CB 3.23Å; S35-S113 PolarHBondContact O-N 2.76Å; S35-S113 PolarHBondContact O-OG 2.97Å
36H95.1Very high93.8Very high53 Ų5328 Ų2825%0.24515%0.154CC..EExtended strand (participates in β ladder)trans-69.8122.3-175.1-65.5-169.6000111.7P29 S30 S34 W38P29-H36 CarbonylContact C-O 3.54Å; P29-H36 WeakPolarHBondContact CA-O 3.29Å; S30-H36 PolarHBondContact N-O 3.18Å; S34-H36 WeakPolarHBondContact OG-CB 3.32Å; S34-H36 PolarHBondContact OG-N 3.08Å; S34-H36 VanDerWaalsContact OG-N 3.12Å; H36-W38 HydrophobicContact CB-CE3 3.99Å; H36-W38 HydrophobicContact CB-CH2 3.69Å; H36-W38 HydrophobicContact CB-CZ3 3.24Å; H36-W38 AromaticContact ND1-CH2 3.87Å; H36-W38 WeakPolarHBondContact O-CZ3 3.42Å
37A96.7Very high93.8Very high2 Ų228.1 Ų28.12%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-111.6113.4174.900000109.7L27 I28 S35 K110 F111L27-A37 HydrophobicContact CB-CB 4.05Å; L27-A37 HydrophobicContact CD1-CB 4.37Å; I28-A37 WeakPolarHBondContact O-CB 3.36Å; S35-A37 PolarHBondContact O-N 3.29Å; A37-K110 WeakPolarHBondContact O-CA 3.41Å; A37-F111 PolarHBondContact N-O 2.72Å; A37-F111 PolarHBondContact O-N 3.45Å
38W96.1Very high93.7Very high42 Ų4227.9 Ų27.916%0.15915%0.154CC..EExtended strand (participates in β ladder)trans-80.6135.5175.3-83.1-109.5000110.3S30 H36 R40 D41 N42 K110 E180S30-W38 VanDerWaalsContact OG-CZ3 3.24Å; S30-W38 WeakPolarHBondContact OG-CZ3 3.29Å; H36-W38 HydrophobicContact CB-CE3 3.99Å; H36-W38 HydrophobicContact CB-CH2 3.69Å; H36-W38 HydrophobicContact CB-CZ3 3.24Å; H36-W38 AromaticContact ND1-CH2 3.87Å; H36-W38 WeakPolarHBondContact O-CZ3 3.42Å; W38-R40 VanDerWaalsContact C-N 3.29Å; W38-R40 PolarHBondContact O-N 3.13Å; W38-D41 HydrophobicContact CB-CB 4.04Å; W38-D41 PolarHBondContact O-N 3.39Å; W38-N42 WeakPolarHBondContact O-CB 3.1Å; W38-N42 PolarHBondContact O-N 3.18Å; W38-N42 PolarHBondContact O-ND2 2.98Å; W38-K110 HydrophobicContact CD2-CB 4.13Å; W38-K110 HydrophobicContact CG-CB 4.23Å; W38-K110 HydrophobicContact CZ2-CD 3.87Å; W38-E180 PolarHBondContact NE1-OE2 2.78Å
39V97.2Very high93.8Very high3 Ų327.9 Ų27.92%0.01815%0.153CC..Hα-helixtrans-59.2-43.5179.3174.60000111.1N42 T43 I83 Y87 A109 F111V39-N42 PolarHBondContact O-N 2.91Å; V39-T43 WeakPolarHBondContact O-CB 3.42Å; V39-T43 PolarHBondContact O-N 2.93Å; V39-T43 PolarHBondContact O-OG1 3.42Å; V39-I83 HydrophobicContact CG1-CD1 4.41Å; V39-I83 HydrophobicContact CG1-CG2 3.64Å; V39-I83 HydrophobicContact CG2-CG2 4.3Å; V39-Y87 HydrophobicContact CG1-CE2 4.18Å; V39-Y87 WeakPolarHBondContact CG1-OH 3.25Å; V39-Y87 HydrophobicContact CG2-CE1 4.13Å; V39-A109 WeakPolarHBondContact CG2-O 3.36Å; V39-A109 PolarHBondContact N-O 3.22Å; V39-F111 HydrophobicContact CG2-CD2 3.95Å; V39-F111 HydrophobicContact CG2-CE2 3.57Å
40R96.6Very high93.9Very high11 Ų1127.1 Ų27.14%0.04215%0.149CC..Hα-helixtrans-62.6-53179.8-174.5165.358.5-104.9-12111.4W38 N42 T43 Y44 Q129 D131 I178 E180 W423W38-R40 VanDerWaalsContact C-N 3.29Å; W38-R40 PolarHBondContact O-N 3.13Å; R40-N42 VanDerWaalsContact C-N 3.29Å; R40-N42 PolarHBondContact O-N 3.31Å; R40-T43 WeakPolarHBondContact O-CB 3.27Å; R40-T43 PolarHBondContact O-N 3.49Å; R40-T43 VanDerWaalsContact O-N 3.09Å; R40-Y44 HydrophobicContact CG-CD2 3.77Å; R40-Y44 HydrophobicContact CG-CE2 3.74Å; R40-Y44 WeakPolarHBondContact O-CD2 3.27Å; R40-Y44 PolarHBondContact O-N 2.92Å; R40-Q129 VanDerWaalsContact NH1-OE1 3.17Å; R40-D131 IonicContact CZ-OD2 3.92Å; R40-D131 IonicContact NH1-OD2 3.9Å; R40-D131 PolarHBondContact NH1-OD2 3.42Å; R40-I178 PolarHBondContact NH1-O 3.1Å; R40-I178 PolarHBondContact NH2-O 2.87Å; R40-E180 IonicContact CZ-OE1 3.79Å; R40-E180 IonicContact NH1-OE1 3.76Å; R40-E180 IonicContact NH2-OE1 2.63Å; R40-E180 PolarHBondContact NH2-OE1 3.18Å; R40-W423 HydrophobicContact CG-CH2 4.49Å; R40-W423 HydrophobicContact CG-CZ2 4.47Å
41D96.3Very high94.3Very high17 Ų1725.9 Ų25.99%0.09114%0.14CC..Hα-helixtrans-56.5-43.5177.9-69.619.1000112.2W38 Y44 A45W38-D41 HydrophobicContact CB-CB 4.04Å; W38-D41 PolarHBondContact O-N 3.39Å; D41-Y44 PolarHBondContact O-N 2.77Å; D41-A45 VanDerWaalsContact O-CB 3.25Å; D41-A45 WeakPolarHBondContact O-CB 3.34Å; D41-A45 PolarHBondContact O-N 3.36Å
42N98.2Very high94.8Very high2 Ų224 Ų241%0.01113%0.127CC..Hα-helixtrans-66.5-39.7178.1-81.9-104.9000111.4L27 I28 W38 V39 R40 A45 S46 L79 I83L27-N42 WeakPolarHBondContact CA-OD1 3.48Å; I28-N42 PolarHBondContact N-OD1 3.15Å; I28-N42 PolarHBondContact O-ND2 2.96Å; I28-N42 PolarHBondContact O-OD1 3.31Å; W38-N42 WeakPolarHBondContact O-CB 3.1Å; W38-N42 PolarHBondContact O-N 3.18Å; W38-N42 PolarHBondContact O-ND2 2.98Å; V39-N42 PolarHBondContact O-N 2.91Å; R40-N42 VanDerWaalsContact C-N 3.29Å; R40-N42 PolarHBondContact O-N 3.31Å; N42-A45 PolarHBondContact O-N 3.5Å; N42-S46 PolarHBondContact O-N 3.38Å; N42-L79 HydrophobicContact CB-CD1 3.83Å; N42-L79 WeakPolarHBondContact O-CD2 3.49Å; N42-L79 WeakPolarHBondContact OD1-CD1 3.47Å; N42-I83 HydrophobicContact CB-CD1 3.88Å; N42-I83 HydrophobicContact CB-CG1 4.31Å
43T98.1Very high95.6Very high0 Ų019.6 Ų19.60%010%0.096CC..Hα-helixtrans-63.4-46175.4-55.90000110.6V39 R40 S46 V135 I139V39-T43 WeakPolarHBondContact O-CB 3.42Å; V39-T43 PolarHBondContact O-N 2.93Å; V39-T43 PolarHBondContact O-OG1 3.42Å; R40-T43 WeakPolarHBondContact O-CB 3.27Å; R40-T43 PolarHBondContact O-N 3.49Å; R40-T43 VanDerWaalsContact O-N 3.09Å; T43-S46 WeakPolarHBondContact O-CB 3.33Å; T43-S46 PolarHBondContact O-N 2.92Å; T43-S46 PolarHBondContact O-OG 3.25Å; T43-V135 HydrophobicContact CG2-CG1 4.15Å; T43-V135 HydrophobicContact CG2-CG2 4.14Å; T43-I139 HydrophobicContact CG2-CB 3.96Å; T43-I139 HydrophobicContact CG2-CG1 3.71Å; T43-I139 HydrophobicContact CG2-CG2 4.45Å
44Y97.3Very high96.1Very high2 Ų210.2 Ų10.21%0.0086%0.055CC..Hα-helixtrans-68.2-38.1176.1-82.9-79000112.6R40 D41 S46 L47 V135 P261 W329 W423 S426 L427R40-Y44 HydrophobicContact CG-CD2 3.77Å; R40-Y44 HydrophobicContact CG-CE2 3.74Å; R40-Y44 WeakPolarHBondContact O-CD2 3.27Å; R40-Y44 PolarHBondContact O-N 2.92Å; D41-Y44 PolarHBondContact O-N 2.77Å; Y44-S46 PolarHBondContact O-N 3.34Å; Y44-L47 HydrophobicContact CD1-CD1 3.83Å; Y44-L47 HydrophobicContact CE1-CD1 4.24Å; Y44-L47 WeakPolarHBondContact O-CB 3.35Å; Y44-L47 PolarHBondContact O-N 3.49Å; Y44-V135 HydrophobicContact CE2-CG2 4.15Å; Y44-P261 HydrophobicContact CE1-CG 4.46Å; Y44-W329 HydrophobicContact CE1-CZ2 4.16Å; Y44-W329 AromaticContact CZ-CZ2 4Å; Y44-W423 AromaticContact CD1-CD1 3.82Å; Y44-W423 AromaticContact CD1-NE1 3.4Å; Y44-W423 AromaticContact CD2-CD1 3.59Å; Y44-W423 HydrophobicContact CD2-CD2 4.27Å; Y44-W423 AromaticContact CD2-CE2 3.57Å; Y44-W423 HydrophobicContact CD2-CG 4.25Å; Y44-W423 HydrophobicContact CD2-CZ2 4.03Å; Y44-W423 AromaticContact CD2-NE1 3.13Å; Y44-W423 AromaticContact CE1-NE1 3.68Å; Y44-W423 AromaticContact CE2-CE2 3.61Å; Y44-W423 AromaticContact CE2-CZ2 3.59Å; Y44-W423 HydrophobicContact CE2-CZ2 3.59Å; Y44-W423 AromaticContact CE2-NE1 3.42Å; Y44-W423 AromaticContact CG-CD1 3.31Å; Y44-W423 HydrophobicContact CG-CG 4.29Å; Y44-W423 AromaticContact CG-NE1 3.13Å; Y44-W423 AromaticContact CZ-NE1 3.69Å; Y44-S426 WeakPolarHBondContact O-CB 3.24Å; Y44-S426 PolarHBondContact O-OG 3.22Å; Y44-L427 HydrophobicContact CD1-CD2 3.97Å; Y44-L427 HydrophobicContact CD1-CG 4.46Å; Y44-L427 HydrophobicContact CE1-CD2 4.18Å
45A97.8Very high96.3Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-56.3-38.317400000111.3I17 I28 D41 N42 L47 S48 I49 L79 I422 S426I17-A45 HydrophobicContact CG2-CB 4.16Å; I28-A45 HydrophobicContact CD1-CB 3.82Å; D41-A45 VanDerWaalsContact O-CB 3.25Å; D41-A45 WeakPolarHBondContact O-CB 3.34Å; D41-A45 PolarHBondContact O-N 3.36Å; N42-A45 PolarHBondContact O-N 3.5Å; A45-L47 PolarHBondContact O-N 3.06Å; A45-S48 PolarHBondContact O-N 3.08Å; A45-S48 PolarHBondContact O-OG 3.33Å; A45-S48 VanDerWaalsContact O-OG 3.06Å; A45-I49 WeakPolarHBondContact O-CG1 3.15Å; A45-I49 PolarHBondContact O-N 3.31Å; A45-L79 HydrophobicContact CB-CD2 4.34Å; A45-I422 HydrophobicContact CB-CG2 3.93Å; A45-S426 WeakPolarHBondContact CA-OG 3.43Å
46S97.8Very high96.2Very high0 Ų06.6 Ų6.60%03%0.029CC..Hα-helixtrans-59-28.9175.885.30000113.3N42 T43 Y44 W50 M143N42-S46 PolarHBondContact O-N 3.38Å; T43-S46 WeakPolarHBondContact O-CB 3.33Å; T43-S46 PolarHBondContact O-N 2.92Å; T43-S46 PolarHBondContact O-OG 3.25Å; Y44-S46 PolarHBondContact O-N 3.34Å; S46-W50 WeakPolarHBondContact O-CB 3.39Å; S46-W50 PolarHBondContact O-N 3.01Å; S46-M143 WeakPolarHBondContact OG-CE 3.49Å
47L96.9Very high95.8Very high1 Ų110.3 Ų10.31%0.0054%0.041CC..Hα-helixtrans-72.2-38.1-177.6-61.6179.4000113.6Y44 A45 W50 G51 I139 M143 Y260 L430Y44-L47 HydrophobicContact CD1-CD1 3.83Å; Y44-L47 HydrophobicContact CE1-CD1 4.24Å; Y44-L47 WeakPolarHBondContact O-CB 3.35Å; Y44-L47 PolarHBondContact O-N 3.49Å; A45-L47 PolarHBondContact O-N 3.06Å; L47-W50 HydrophobicContact CD2-CE3 4.1Å; L47-W50 HydrophobicContact CD2-CZ3 4.47Å; L47-G51 WeakPolarHBondContact O-CA 3.31Å; L47-G51 PolarHBondContact O-N 2.86Å; L47-I139 HydrophobicContact CD1-CD1 4.07Å; L47-I139 HydrophobicContact CD1-CG1 4.32Å; L47-I139 HydrophobicContact CD2-CB 4.44Å; L47-I139 HydrophobicContact CD2-CD1 3.71Å; L47-I139 HydrophobicContact CD2-CG1 3.88Å; L47-I139 HydrophobicContact CD2-CG2 3.67Å; L47-I139 HydrophobicContact CG-CD1 4.41Å; L47-I139 HydrophobicContact CG-CG1 4.39Å; L47-M143 HydrophobicContact CD2-CE 4.32Å; L47-Y260 HydrophobicContact CD1-CE1 3.95Å; L47-Y260 WeakPolarHBondContact CD2-OH 3.45Å; L47-L430 HydrophobicContact CB-CD2 4.28Å
48S96.2Very high95.3Very high0 Ų014 Ų140%06%0.057CC..Hα-helixtrans-71.3-40.8175.454.50000111.5A45 W50 G51 L52 S426A45-S48 PolarHBondContact O-N 3.08Å; A45-S48 PolarHBondContact O-OG 3.33Å; A45-S48 VanDerWaalsContact O-OG 3.06Å; S48-W50 VanDerWaalsContact C-N 3.35Å; S48-G51 PolarHBondContact O-N 3.19Å; S48-L52 WeakPolarHBondContact O-CB 3.45Å; S48-L52 PolarHBondContact O-N 2.89Å; S48-S426 WeakPolarHBondContact CB-O 3.29Å; S48-S426 WeakPolarHBondContact CB-OG 3.25Å; S48-S426 PolarHBondContact N-OG 3.19Å; S48-S426 PolarHBondContact OG-OG 2.8Å
49I98Very high94.6Very high0 Ų013 Ų130%06%0.055CC..Hα-helixtrans-61.6-46.9175.7-54.2164.5000109.7L13 I17 L18 I28 A45 L52 S53 L72 C75 V76 L79L13-I49 HydrophobicContact CD1-CG1 3.92Å; L13-I49 HydrophobicContact CD2-CB 4.35Å; L13-I49 HydrophobicContact CD2-CG1 4.15Å; L13-I49 HydrophobicContact CD2-CG2 4.42Å; L13-I49 HydrophobicContact CG-CG1 4.44Å; I17-I49 HydrophobicContact CG2-CD1 4.34Å; L18-I49 HydrophobicContact CD2-CD1 3.64Å; L18-I49 HydrophobicContact CD2-CG1 3.97Å; L18-I49 HydrophobicContact CD2-CG2 4.35Å; I28-I49 HydrophobicContact CD1-CD1 4.48Å; A45-I49 WeakPolarHBondContact O-CG1 3.15Å; A45-I49 PolarHBondContact O-N 3.31Å; I49-L52 PolarHBondContact O-N 3.48Å; I49-S53 PolarHBondContact O-N 2.96Å; I49-L72 HydrophobicContact CG2-CB 4.09Å; I49-L72 HydrophobicContact CG2-CD2 3.9Å; I49-L72 WeakPolarHBondContact CG2-O 3.5Å; I49-C75 HydrophobicContact CG2-CB 4.14Å; I49-V76 HydrophobicContact CB-CG2 3.69Å; I49-V76 HydrophobicContact CG2-CG2 3.52Å; I49-L79 HydrophobicContact CD1-CD2 4.07Å
50W97.7Very high93.4Very high0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-66.8-47.2178.2-178.441.5000112.1S46 L47 S48 L52 S53 L54 V76 Q142 M143 A146 I444 P446S46-W50 WeakPolarHBondContact O-CB 3.39Å; S46-W50 PolarHBondContact O-N 3.01Å; L47-W50 HydrophobicContact CD2-CE3 4.1Å; L47-W50 HydrophobicContact CD2-CZ3 4.47Å; S48-W50 VanDerWaalsContact C-N 3.35Å; W50-L52 VanDerWaalsContact C-N 3.28Å; W50-L52 PolarHBondContact O-N 2.99Å; W50-S53 WeakPolarHBondContact CA-OG 3.4Å; W50-S53 WeakPolarHBondContact O-CA 3.47Å; W50-S53 WeakPolarHBondContact O-CB 3.4Å; W50-S53 PolarHBondContact O-N 3.41Å; W50-S53 PolarHBondContact O-OG 2.87Å; W50-L54 HydrophobicContact CD2-CD1 4.24Å; W50-L54 HydrophobicContact CZ2-CD1 4Å; W50-L54 WeakPolarHBondContact O-CG 3.22Å; W50-L54 PolarHBondContact O-N 3.19Å; W50-V76 HydrophobicContact CB-CG1 4.37Å; W50-V76 HydrophobicContact CB-CG2 3.85Å; W50-Q142 HydrophobicContact CH2-CB 4.09Å; W50-Q142 HydrophobicContact CZ3-CB 4.26Å; W50-M143 HydrophobicContact CB-CE 3.79Å; W50-M143 HydrophobicContact CD2-CE 3.91Å; W50-M143 HydrophobicContact CD2-CG 3.93Å; W50-M143 HydrophobicContact CE3-CE 3.78Å; W50-M143 HydrophobicContact CE3-CG 3.94Å; W50-M143 HydrophobicContact CG-CE 3.94Å; W50-M143 HydrophobicContact CH2-CG 4.35Å; W50-M143 HydrophobicContact CZ2-CG 4.34Å; W50-M143 HydrophobicContact CZ3-CG 4.14Å; W50-A146 HydrophobicContact CH2-CB 4.41Å; W50-A146 HydrophobicContact CZ2-CB 3.51Å; W50-I444 HydrophobicContact CE3-CG1 4.08Å; W50-I444 HydrophobicContact CH2-CG1 4.4Å; W50-I444 HydrophobicContact CZ3-CG1 3.85Å; W50-P446 HydrophobicContact CH2-CG 4.22Å
51G96.3Very high91.9Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-54.3-44.5176.300000111.9L47 S48 L54 V55L47-G51 WeakPolarHBondContact O-CA 3.31Å; L47-G51 PolarHBondContact O-N 2.86Å; S48-G51 PolarHBondContact O-N 3.19Å; G51-L54 WeakPolarHBondContact O-CB 3.46Å; G51-L54 PolarHBondContact O-N 2.93Å; G51-V55 WeakPolarHBondContact O-CG2 3.11Å; G51-V55 PolarHBondContact O-N 3.18Å
52L95.5Very high90.9Very high0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-66.9-39.6175.8-168.866.3000112.4L6 F10 L13 S48 I49 W50 L54 V55 Y56 L72L6-L52 HydrophobicContact CD1-CD1 3.49Å; L6-L52 VanDerWaalsContact CD1-CD1 3.49Å; F10-L52 HydrophobicContact CB-CD2 4.02Å; F10-L52 HydrophobicContact CD2-CD2 4.04Å; L13-L52 HydrophobicContact CB-CD2 4.27Å; L13-L52 HydrophobicContact CD2-CB 4.4Å; L13-L52 HydrophobicContact CD2-CD2 3.6Å; S48-L52 WeakPolarHBondContact O-CB 3.45Å; S48-L52 PolarHBondContact O-N 2.89Å; I49-L52 PolarHBondContact O-N 3.48Å; W50-L52 VanDerWaalsContact C-N 3.28Å; W50-L52 PolarHBondContact O-N 2.99Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 3.24Å; L52-V55 PolarHBondContact O-N 2.88Å; L52-V55 VanDerWaalsContact O-N 3.14Å; L52-Y56 HydrophobicContact CD1-CD2 4.46Å; L52-Y56 HydrophobicContact CD1-CE2 4.18Å; L52-Y56 HydrophobicContact CD2-CE2 4.19Å; L52-Y56 HydrophobicContact CG-CD2 4.05Å; L52-Y56 HydrophobicContact CG-CE2 3.91Å; L52-Y56 WeakPolarHBondContact O-CD2 3.3Å; L52-Y56 PolarHBondContact O-N 2.87Å; L52-Y56 VanDerWaalsContact O-N 3.08Å; L52-L72 HydrophobicContact CB-CD1 4.21Å; L52-L72 HydrophobicContact CD2-CD1 3.97Å; L52-L72 HydrophobicContact CG-CD1 3.98Å
53S95.2Very high89.9Confident0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-59.3-39175.779.50000112.5I49 W50 V55 Y56 R57 S69I49-S53 PolarHBondContact O-N 2.96Å; W50-S53 WeakPolarHBondContact CA-OG 3.4Å; W50-S53 WeakPolarHBondContact O-CA 3.47Å; W50-S53 WeakPolarHBondContact O-CB 3.4Å; W50-S53 PolarHBondContact O-N 3.41Å; W50-S53 PolarHBondContact O-OG 2.87Å; S53-V55 VanDerWaalsContact C-N 3.34Å; S53-V55 PolarHBondContact O-N 3.36Å; S53-Y56 PolarHBondContact O-N 3.5Å; S53-R57 PolarHBondContact O-N 3.37Å; S53-S69 PolarHBondContact O-OG 2.62Å
54L93.7Very high89.1Confident3 Ų336.9 Ų36.92%0.01619%0.187CC..Hα-helixtrans-65.5-36.7176.6-67.7175.2000111.6W50 G51 L52 R57 L439 I444W50-L54 HydrophobicContact CD2-CD1 4.24Å; W50-L54 HydrophobicContact CZ2-CD1 4Å; W50-L54 WeakPolarHBondContact O-CG 3.22Å; W50-L54 PolarHBondContact O-N 3.19Å; G51-L54 WeakPolarHBondContact O-CB 3.46Å; G51-L54 PolarHBondContact O-N 2.93Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 3.24Å; L54-R57 VanDerWaalsContact CD2-CZ 3.43Å; L54-R57 WeakPolarHBondContact O-CB 3.43Å; L54-R57 PolarHBondContact O-N 3.35Å; L54-L439 HydrophobicContact CB-CD1 3.95Å; L54-L439 HydrophobicContact CD1-CD1 4.3Å; L54-I444 HydrophobicContact CD1-CB 4.49Å; L54-I444 HydrophobicContact CD1-CG1 4.38Å
55V92.8Very high88.4Confident0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-66.9-45.8175.9179.50000111M1 L6 G51 L52 S53 R57 K58 L438 L439M1-V55 HydrophobicContact CE-CG1 3.44Å; M1-V55 VanDerWaalsContact CE-CG1 3.44Å; M1-V55 HydrophobicContact SD-CG1 4.23Å; L6-V55 HydrophobicContact CD1-CB 4.07Å; L6-V55 HydrophobicContact CD1-CG1 3.47Å; L6-V55 VanDerWaalsContact CD1-CG1 3.47Å; L6-V55 HydrophobicContact CD2-CG1 4.33Å; G51-V55 WeakPolarHBondContact O-CG2 3.11Å; G51-V55 PolarHBondContact O-N 3.18Å; L52-V55 PolarHBondContact O-N 2.88Å; L52-V55 VanDerWaalsContact O-N 3.14Å; S53-V55 VanDerWaalsContact C-N 3.34Å; S53-V55 PolarHBondContact O-N 3.36Å; V55-R57 VanDerWaalsContact C-N 3.26Å; V55-R57 PolarHBondContact O-N 2.97Å; V55-K58 PolarHBondContact O-N 3Å; V55-L438 HydrophobicContact CG1-CB 4.09Å; V55-L438 HydrophobicContact CG2-CB 4.29Å; V55-L439 HydrophobicContact CG2-CB 3.76Å; V55-L439 HydrophobicContact CG2-CD1 4.04Å; V55-L439 HydrophobicContact CG2-CG 4.42Å
56Y91.1Very high87.7Confident2 Ų243.3 Ų43.31%0.00821%0.212CC..Hα-helixtrans-61.1-34.7176.6-86.1-75.9000112.6L6 F10 L52 S53 K58 L59 D65 R68 L72L6-Y56 HydrophobicContact CD1-CD2 4.31Å; L6-Y56 HydrophobicContact CD1-CE2 4.03Å; L6-Y56 HydrophobicContact CD2-CD1 3.65Å; L6-Y56 HydrophobicContact CD2-CD2 4.23Å; L6-Y56 HydrophobicContact CD2-CE1 3.43Å; L6-Y56 VanDerWaalsContact CD2-CE1 3.43Å; L6-Y56 HydrophobicContact CD2-CE2 4.04Å; L6-Y56 HydrophobicContact CD2-CG 4.04Å; L6-Y56 HydrophobicContact CG-CD1 4.48Å; L6-Y56 HydrophobicContact CG-CD2 4.38Å; L6-Y56 HydrophobicContact CG-CE1 3.96Å; L6-Y56 HydrophobicContact CG-CE2 3.85Å; F10-Y56 HydrophobicContact CB-CE2 4.24Å; F10-Y56 WeakPolarHBondContact CB-OH 2.89Å; F10-Y56 AromaticContact CD2-CE2 3.85Å; F10-Y56 HydrophobicContact CD2-CE2 3.85Å; F10-Y56 HydrophobicContact CG-CE2 4.4Å; L52-Y56 HydrophobicContact CD1-CD2 4.46Å; L52-Y56 HydrophobicContact CD1-CE2 4.18Å; L52-Y56 HydrophobicContact CD2-CE2 4.19Å; L52-Y56 HydrophobicContact CG-CD2 4.05Å; L52-Y56 HydrophobicContact CG-CE2 3.91Å; L52-Y56 WeakPolarHBondContact O-CD2 3.3Å; L52-Y56 PolarHBondContact O-N 2.87Å; L52-Y56 VanDerWaalsContact O-N 3.08Å; S53-Y56 PolarHBondContact O-N 3.5Å; Y56-K58 PolarHBondContact O-N 3.12Å; Y56-K58 VanDerWaalsContact O-N 3.12Å; Y56-L59 HydrophobicContact CD1-CD1 3.97Å; Y56-L59 HydrophobicContact CE1-CD1 4.37Å; Y56-L59 PolarHBondContact O-N 3.32Å; Y56-L59 VanDerWaalsContact O-N 3.13Å; Y56-D65 HydrophobicContact CD1-CB 4.12Å; Y56-R68 HydrophobicContact CD1-CB 4.18Å; Y56-R68 HydrophobicContact CE1-CB 4.21Å; Y56-R68 HydrophobicContact CG-CB 4.38Å; Y56-R68 PolarHBondContact OH-NH1 2.66Å; Y56-R68 VanDerWaalsContact OH-NH1 3.1Å; Y56-L72 HydrophobicContact CD2-CD1 3.93Å; Y56-L72 HydrophobicContact CE2-CD1 4.24Å
57R87Confident87.2Confident131 Ų13146.5 Ų46.549%0.49423%0.233SC..THydrogen-bonded Turntrans-60.3-22.1178.8-166.8168.567.41788.5114S53 L54 V55 E73S53-R57 PolarHBondContact O-N 3.37Å; L54-R57 VanDerWaalsContact CD2-CZ 3.43Å; L54-R57 WeakPolarHBondContact O-CB 3.43Å; L54-R57 PolarHBondContact O-N 3.35Å; V55-R57 VanDerWaalsContact C-N 3.26Å; V55-R57 PolarHBondContact O-N 2.97Å; R57-E73 IonicContact NH1-OE1 2.59Å
58K84.6Confident86.9Confident79 Ų7949.3 Ų49.334%0.34324%0.244SC..THydrogen-bonded Turntrans-88.4-15.6-179.9-55.6177-154.4173.20114.1V55 Y56 L438 E443V55-K58 PolarHBondContact O-N 3Å; Y56-K58 PolarHBondContact O-N 3.12Å; Y56-K58 VanDerWaalsContact O-N 3.12Å; K58-L438 PolarHBondContact NZ-O 3.14Å; K58-E443 WeakPolarHBondContact CE-OE1 3.41Å; K58-E443 VanDerWaalsContact CE-OE2 3.3Å; K58-E443 WeakPolarHBondContact CE-OE2 3.39Å; K58-E443 IonicContact NZ-OE1 3.51Å; K58-E443 PolarHBondContact NZ-OE1 3.31Å; K58-E443 IonicContact NZ-OE2 2.88Å; K58-E443 PolarHBondContact NZ-OE2 2.89Å
59L82.5Confident86.6Confident23 Ų2349.7 Ų49.712%0.1225%0.246CC..SBendtrans-65.9142-177.9-79173.3000109.9M1 L6 Y56 D65M1-L59 HydrophobicContact CB-CD2 4.29Å; M1-L59 HydrophobicContact CE-CD1 4.15Å; M1-L59 HydrophobicContact CE-CD2 3.52Å; M1-L59 HydrophobicContact CE-CG 3.63Å; M1-L59 HydrophobicContact SD-CD2 4.12Å; M1-L59 HydrophobicContact SD-CG 4.45Å; L6-L59 HydrophobicContact CD2-CD1 3.45Å; L6-L59 VanDerWaalsContact CD2-CD1 3.45Å; L6-L59 HydrophobicContact CD2-CG 4.4Å; Y56-L59 HydrophobicContact CD1-CD1 3.97Å; Y56-L59 HydrophobicContact CE1-CD1 4.37Å; Y56-L59 PolarHBondContact O-N 3.32Å; Y56-L59 VanDerWaalsContact O-N 3.13Å; L59-D65 HydrophobicContact CB-CB 4.31Å; L59-D65 HydrophobicContact CD1-CB 4.03Å
60P71.7Confident86.3Confident101 Ų10156.2 Ų56.266%0.65627%0.272SS*.  trans-57.9152.2174.524.4-32.7000110.9V62P60-V62 VanDerWaalsContact C-N 3.3Å; P60-V62 PolarHBondContact O-N 2.97Å
61D65.6Low86.2Confident118 Ų11861.6 Ų61.663%0.63130%0.297SS*.SBendtrans-54.978.7-166.8-65.9-3.6000115R66D61-R66 IonicContact OD1-CZ 3.13Å; D61-R66 IonicContact OD1-NE 3.28Å; D61-R66 PolarHBondContact OD1-NE 2.78Å; D61-R66 IonicContact OD1-NH2 2.62Å; D61-R66 PolarHBondContact OD1-NH2 3.19Å; D61-R66 IonicContact OD2-CZ 3.53Å; D61-R66 IonicContact OD2-NH1 3.9Å; D61-R66 IonicContact OD2-NH2 2.89Å; D61-R66 PolarHBondContact OD2-NH2 3.05Å
62V74.4Confident86.2Confident65 Ų6561.8 Ų61.839%0.39430%0.298SS..  trans-104.3120.6160.6-177.70000106.4P60 E64 D65 R66P60-V62 VanDerWaalsContact C-N 3.3Å; P60-V62 PolarHBondContact O-N 2.97Å; V62-E64 HydrophobicContact CG1-CB 4.14Å; V62-E64 PolarHBondContact O-N 2.52Å; V62-E64 VanDerWaalsContact O-N 3.15Å; V62-D65 HydrophobicContact CB-CB 4.38Å; V62-D65 PolarHBondContact O-N 3.02Å; V62-R66 PolarHBondContact O-N 3.08Å
63D77.6Confident86.2Confident124 Ų12463.8 Ų63.866%0.66331%0.308SS*.Hα-helixtrans-53.9-37.4-177-71.4-31000112.1D65 R66 C67D63-D65 PolarHBondContact O-N 2.99Å; D63-R66 PolarHBondContact O-N 3.03Å; D63-C67 WeakPolarHBondContact O-CB 3.49Å; D63-C67 PolarHBondContact O-N 3.32Å; D63-C67 PolarHBondContact O-SG 2.59Å
64E81.6Confident86.2Confident126 Ų12668.8 Ų68.859%0.58933%0.329SS*.Hα-helixtrans-59.6-44.3176.2-63-177172.300113V62 C67 R68V62-E64 HydrophobicContact CG1-CB 4.14Å; V62-E64 PolarHBondContact O-N 2.52Å; V62-E64 VanDerWaalsContact O-N 3.15Å; E64-C67 WeakPolarHBondContact O-CB 3.4Å; E64-C67 PolarHBondContact O-N 3.02Å; E64-R68 WeakPolarHBondContact O-CG 3.48Å; E64-R68 PolarHBondContact O-N 3.21Å
65D82.7Confident86.4Confident6 Ų670.2 Ų70.23%0.03234%0.339CS..Hα-helixtrans-72.2-35.6-176.8-67.8-31.3000110.8K3 Y56 L59 V62 D63 R68 S69K3-D65 VanDerWaalsContact NZ-CG 3.28Å; K3-D65 IonicContact NZ-OD1 3.58Å; K3-D65 PolarHBondContact NZ-OD1 2.9Å; K3-D65 IonicContact NZ-OD2 2.68Å; K3-D65 PolarHBondContact NZ-OD2 3.24Å; Y56-D65 HydrophobicContact CD1-CB 4.12Å; L59-D65 HydrophobicContact CB-CB 4.31Å; L59-D65 HydrophobicContact CD1-CB 4.03Å; V62-D65 HydrophobicContact CB-CB 4.38Å; V62-D65 PolarHBondContact O-N 3.02Å; D63-D65 PolarHBondContact O-N 2.99Å; D65-R68 PolarHBondContact O-N 2.72Å; D65-S69 PolarHBondContact O-N 3.02Å
66R83.3Confident86.7Confident130 Ų13070.2 Ų70.249%0.49134%0.339SS..Hα-helixtrans-65.3-40.4170.5-77.4-178.2170.6-174.7-4.8112.1D61 V62 D63 S69 Y70D61-R66 IonicContact OD1-CZ 3.13Å; D61-R66 IonicContact OD1-NE 3.28Å; D61-R66 PolarHBondContact OD1-NE 2.78Å; D61-R66 IonicContact OD1-NH2 2.62Å; D61-R66 PolarHBondContact OD1-NH2 3.19Å; D61-R66 IonicContact OD2-CZ 3.53Å; D61-R66 IonicContact OD2-NH1 3.9Å; D61-R66 IonicContact OD2-NH2 2.89Å; D61-R66 PolarHBondContact OD2-NH2 3.05Å; V62-R66 PolarHBondContact O-N 3.08Å; D63-R66 PolarHBondContact O-N 3.03Å; R66-S69 PolarHBondContact O-N 3.11Å; R66-Y70 WeakPolarHBondContact O-CB 3.41Å; R66-Y70 PolarHBondContact O-N 3.24Å
67C87.2Confident87Confident68 Ų6871 Ų7146%0.45934%0.344SS..Hα-helixtrans-60.9-45.5175.2-69.90000111.1D63 E64 S69 Y70 E71D63-C67 WeakPolarHBondContact O-CB 3.49Å; D63-C67 PolarHBondContact O-N 3.32Å; D63-C67 PolarHBondContact O-SG 2.59Å; E64-C67 WeakPolarHBondContact O-CB 3.4Å; E64-C67 PolarHBondContact O-N 3.02Å; C67-S69 PolarHBondContact O-N 2.76Å; C67-Y70 PolarHBondContact O-N 2.76Å; C67-E71 WeakPolarHBondContact O-CG 3.48Å; C67-E71 PolarHBondContact O-N 3.06Å
68R89.9Confident87.5Confident59 Ų5968.5 Ų68.522%0.22334%0.337CS..Hα-helixtrans-61.1-44.3176.4-71.3179-172175.43.9112.7D7 F10 Y56 E64 D65 Y70 E71 L72D7-R68 IonicContact OD1-CZ 3.08Å; D7-R68 IonicContact OD1-NH1 2.83Å; D7-R68 PolarHBondContact OD1-NH1 3.37Å; F10-R68 HydrophobicContact CE2-CG 4.4Å; Y56-R68 HydrophobicContact CD1-CB 4.18Å; Y56-R68 HydrophobicContact CE1-CB 4.21Å; Y56-R68 HydrophobicContact CG-CB 4.38Å; Y56-R68 PolarHBondContact OH-NH1 2.66Å; Y56-R68 VanDerWaalsContact OH-NH1 3.1Å; E64-R68 WeakPolarHBondContact O-CG 3.48Å; E64-R68 PolarHBondContact O-N 3.21Å; D65-R68 PolarHBondContact O-N 2.72Å; R68-Y70 VanDerWaalsContact C-N 3.32Å; R68-Y70 PolarHBondContact O-N 3.43Å; R68-E71 PolarHBondContact O-N 3.23Å; R68-L72 VanDerWaalsContact O-CG 3.27Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 2.87Å
69S91.2Very high88.1Confident8 Ų864.8 Ų64.86%0.05632%0.321CS..Hα-helixtrans-56.1-49.4174.8-174.60000110.9S53 D65 R66 C67 E71 L72 E73S53-S69 PolarHBondContact O-OG 2.62Å; D65-S69 PolarHBondContact O-N 3.02Å; R66-S69 PolarHBondContact O-N 3.11Å; C67-S69 PolarHBondContact O-N 2.76Å; S69-E71 PolarHBondContact O-N 3.27Å; S69-L72 PolarHBondContact O-N 3.48Å; S69-E73 WeakPolarHBondContact O-CG 3.44Å; S69-E73 PolarHBondContact O-N 3.32Å
70Y91.3Very high88.9Confident138 Ų13863.7 Ų63.754%0.54132%0.315SS..Hα-helixtrans-62.1-43.6179.2-176.2-94.9000112.8R66 C67 R68 E73 K74R66-Y70 WeakPolarHBondContact O-CB 3.41Å; R66-Y70 PolarHBondContact O-N 3.24Å; C67-Y70 PolarHBondContact O-N 2.76Å; R68-Y70 VanDerWaalsContact C-N 3.32Å; R68-Y70 PolarHBondContact O-N 3.43Å; Y70-E73 PolarHBondContact O-N 3.34Å; Y70-K74 HydrophobicContact CD1-CG 4.14Å; Y70-K74 HydrophobicContact CE1-CD 4.42Å; Y70-K74 HydrophobicContact CE1-CG 3.83Å; Y70-K74 WeakPolarHBondContact O-CG 3.47Å; Y70-K74 PolarHBondContact O-N 3.49Å; Y70-K74 WeakPolarHBondContact OH-CE 3.18Å
71E94Very high90.2Very high113 Ų11360 Ų6053%0.52829%0.288SS..Hα-helixtrans-60.1-47.1176.8-75.4174-178.900111.7C67 R68 S69 E73 K74 C75C67-E71 WeakPolarHBondContact O-CG 3.48Å; C67-E71 PolarHBondContact O-N 3.06Å; R68-E71 PolarHBondContact O-N 3.23Å; S69-E71 PolarHBondContact O-N 3.27Å; E71-E73 PolarHBondContact O-N 2.61Å; E71-K74 PolarHBondContact O-N 2.66Å; E71-C75 PolarHBondContact O-N 2.96Å; E71-C75 PolarHBondContact O-SG 2.95Å
72L96.5Very high91.7Very high4 Ų454.4 Ų54.42%0.02126%0.258CS..Hα-helixtrans-62.4-43.7177.2-67.9172.3000111.7F10 L13 L18 I49 L52 Y56 R68 S69 K74 C75 V76F10-L72 HydrophobicContact CD2-CD1 4.23Å; F10-L72 HydrophobicContact CE2-CD1 4.29Å; F10-L72 HydrophobicContact CE2-CD2 4.14Å; F10-L72 HydrophobicContact CE2-CG 4.31Å; L13-L72 HydrophobicContact CD2-CD2 3.77Å; L18-L72 HydrophobicContact CD1-CD2 3.82Å; I49-L72 HydrophobicContact CG2-CB 4.09Å; I49-L72 HydrophobicContact CG2-CD2 3.9Å; I49-L72 WeakPolarHBondContact CG2-O 3.5Å; L52-L72 HydrophobicContact CB-CD1 4.21Å; L52-L72 HydrophobicContact CD2-CD1 3.97Å; L52-L72 HydrophobicContact CG-CD1 3.98Å; Y56-L72 HydrophobicContact CD2-CD1 3.93Å; Y56-L72 HydrophobicContact CE2-CD1 4.24Å; R68-L72 VanDerWaalsContact O-CG 3.27Å; R68-L72 WeakPolarHBondContact O-CG 3.42Å; R68-L72 PolarHBondContact O-N 2.87Å; S69-L72 PolarHBondContact O-N 3.48Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 3.36Å; L72-C75 WeakPolarHBondContact O-CB 3.41Å; L72-C75 PolarHBondContact O-N 3.37Å; L72-C75 VanDerWaalsContact O-N 3.15Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 3.37Å
73E96.3Very high92.9Very high42 Ų4251.4 Ų51.420%0.19624%0.24CC..Hα-helixtrans-59.8-39.7174.5-74.3-176.5173.300111.6R57 S69 Y70 E71 V76 V77R57-E73 IonicContact NH1-OE1 2.59Å; S69-E73 WeakPolarHBondContact O-CG 3.44Å; S69-E73 PolarHBondContact O-N 3.32Å; Y70-E73 PolarHBondContact O-N 3.34Å; E71-E73 PolarHBondContact O-N 2.61Å; E73-V76 PolarHBondContact O-N 3.14Å; E73-V77 WeakPolarHBondContact O-CG2 3.4Å; E73-V77 PolarHBondContact O-N 3.24Å
74K96.1Very high93.9Very high105 Ų10545.5 Ų45.546%0.45721%0.208SC..Hα-helixtrans-66.1-37.6174.6-68.8-58.5179.7-170.50112.6Y70 E71 L72 V76 V77 K78Y70-K74 HydrophobicContact CD1-CG 4.14Å; Y70-K74 HydrophobicContact CE1-CD 4.42Å; Y70-K74 HydrophobicContact CE1-CG 3.83Å; Y70-K74 WeakPolarHBondContact O-CG 3.47Å; Y70-K74 PolarHBondContact O-N 3.49Å; Y70-K74 WeakPolarHBondContact OH-CE 3.18Å; E71-K74 PolarHBondContact O-N 2.66Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 3.36Å; K74-V76 VanDerWaalsContact C-N 3.34Å; K74-V77 PolarHBondContact O-N 3.12Å; K74-K78 VanDerWaalsContact O-CB 3.29Å; K74-K78 WeakPolarHBondContact O-CB 3.49Å; K74-K78 PolarHBondContact O-N 2.72Å
75C97.4Very high94.7Very high33 Ų3341.6 Ų41.622%0.22319%0.191CC..Hα-helixtrans-61.3-42.7173.2-68.40000111.5L18 Q21 I49 E71 L72 K78 L79L18-C75 HydrophobicContact CD2-CB 4.1Å; Q21-C75 PolarHBondContact NE2-O 3.36Å; I49-C75 HydrophobicContact CG2-CB 4.14Å; E71-C75 PolarHBondContact O-N 2.96Å; E71-C75 PolarHBondContact O-SG 2.95Å; L72-C75 WeakPolarHBondContact O-CB 3.41Å; L72-C75 PolarHBondContact O-N 3.37Å; L72-C75 VanDerWaalsContact O-N 3.15Å; C75-K78 PolarHBondContact O-N 2.75Å; C75-L79 VanDerWaalsContact O-CB 3.32Å; C75-L79 WeakPolarHBondContact O-CB 3.44Å; C75-L79 PolarHBondContact O-N 3.1Å
76V98.1Very high95.4Very high0 Ų041.4 Ų41.40%019%0.19CC..Hα-helixtrans-62.5-51.6175.3172.60000111.5I49 W50 L72 E73 K74 K78 L79 M80 M143 L148I49-V76 HydrophobicContact CB-CG2 3.69Å; I49-V76 HydrophobicContact CG2-CG2 3.52Å; W50-V76 HydrophobicContact CB-CG1 4.37Å; W50-V76 HydrophobicContact CB-CG2 3.85Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 3.37Å; E73-V76 PolarHBondContact O-N 3.14Å; K74-V76 VanDerWaalsContact C-N 3.34Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.46Å; V76-L79 WeakPolarHBondContact O-CB 3.25Å; V76-L79 PolarHBondContact O-N 3.48Å; V76-M80 HydrophobicContact CG1-CG 4.38Å; V76-M80 WeakPolarHBondContact O-CG 3.37Å; V76-M80 PolarHBondContact O-N 3.02Å; V76-M143 HydrophobicContact CG1-CE 3.39Å; V76-M143 HydrophobicContact CG1-SD 3.44Å; V76-M143 WeakPolarHBondContact CG1-SD 3.12Å; V76-L148 HydrophobicContact CB-CD2 4.37Å; V76-L148 HydrophobicContact CG1-CD2 3.81Å
77V97.8Very high96.1Very high18 Ų1835.3 Ų35.311%0.10917%0.167CC..Hα-helixtrans-57.7-43.3179.8169.50000110.4E73 K74 R81 L148 I150E73-V77 WeakPolarHBondContact O-CG2 3.4Å; E73-V77 PolarHBondContact O-N 3.24Å; K74-V77 PolarHBondContact O-N 3.12Å; V77-R81 HydrophobicContact CG1-CG 4.36Å; V77-R81 VanDerWaalsContact O-CB 3.25Å; V77-R81 WeakPolarHBondContact O-CB 3.38Å; V77-R81 VanDerWaalsContact O-CG 3.23Å; V77-R81 WeakPolarHBondContact O-CG 3.26Å; V77-R81 PolarHBondContact O-N 3Å; V77-L148 HydrophobicContact CG2-CB 4.48Å; V77-L148 HydrophobicContact CG2-CD2 4.25Å; V77-I150 HydrophobicContact CG2-CG1 4.36Å
78K97.5Very high96.6Very high79 Ų7933.7 Ų33.734%0.34315%0.153SC..Hα-helixtrans-64.7-42.4179.1-163-174.2-169.3152.50112.6S23 I24 K74 C75 V76 G82S23-K78 VanDerWaalsContact C-NZ 3.34Å; S23-K78 VanDerWaalsContact O-CE 3.26Å; S23-K78 WeakPolarHBondContact O-CE 3.03Å; S23-K78 PolarHBondContact O-NZ 3.13Å; I24-K78 WeakPolarHBondContact O-CE 3.23Å; K74-K78 VanDerWaalsContact O-CB 3.29Å; K74-K78 WeakPolarHBondContact O-CB 3.49Å; K74-K78 PolarHBondContact O-N 2.72Å; C75-K78 PolarHBondContact O-N 2.75Å; V76-K78 VanDerWaalsContact C-N 3.26Å; V76-K78 PolarHBondContact O-N 3.46Å; K78-G82 PolarHBondContact O-N 2.79Å
79L98.2Very high96.9Very high0 Ų037.2 Ų37.20%017%0.17CC..Hα-helixtrans-62.4-51.7177.6179.459.4000111.5G26 I28 N42 A45 I49 C75 V76 R81 G82 I83G26-L79 WeakPolarHBondContact O-CA 3.38Å; G26-L79 WeakPolarHBondContact O-CD1 3.44Å; I28-L79 HydrophobicContact CD1-CD1 4.05Å; I28-L79 HydrophobicContact CD1-CD2 3.86Å; I28-L79 HydrophobicContact CG1-CD1 4.18Å; N42-L79 HydrophobicContact CB-CD1 3.83Å; N42-L79 WeakPolarHBondContact O-CD2 3.49Å; N42-L79 WeakPolarHBondContact OD1-CD1 3.47Å; A45-L79 HydrophobicContact CB-CD2 4.34Å; I49-L79 HydrophobicContact CD1-CD2 4.07Å; C75-L79 VanDerWaalsContact O-CB 3.32Å; C75-L79 WeakPolarHBondContact O-CB 3.44Å; C75-L79 PolarHBondContact O-N 3.1Å; V76-L79 WeakPolarHBondContact O-CB 3.25Å; V76-L79 PolarHBondContact O-N 3.48Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3.5Å; L79-G82 PolarHBondContact O-N 2.71Å; L79-G82 VanDerWaalsContact O-N 3.1Å; L79-I83 PolarHBondContact O-N 3.1Å; L79-I83 VanDerWaalsContact O-N 3.16Å
80M98.6Very high97.2Very high0 Ų037.3 Ų37.30%017%0.17CC..Hα-helixtrans-64.5-37.8179.1-67-59.8-73.600112.2V76 G82 I83 L84 F136 I139 L140 M143 I150V76-M80 HydrophobicContact CG1-CG 4.38Å; V76-M80 WeakPolarHBondContact O-CG 3.37Å; V76-M80 PolarHBondContact O-N 3.02Å; M80-G82 VanDerWaalsContact C-N 3.34Å; M80-I83 PolarHBondContact O-N 3.29Å; M80-I83 HydrophobicContact SD-CD1 4.27Å; M80-L84 PolarHBondContact O-N 2.86Å; M80-F136 HydrophobicContact CE-CD2 3.51Å; M80-F136 HydrophobicContact CE-CE2 3.63Å; M80-F136 HydrophobicContact SD-CD2 4.36Å; M80-F136 HydrophobicContact SD-CE2 4.47Å; M80-I139 HydrophobicContact CE-CB 4.22Å; M80-I139 HydrophobicContact CE-CG2 4Å; M80-I139 HydrophobicContact SD-CG2 4.48Å; M80-L140 HydrophobicContact CE-CB 4.45Å; M80-M143 HydrophobicContact CG-SD 3.92Å; M80-I150 HydrophobicContact CB-CD1 4.03Å; M80-I150 HydrophobicContact CB-CG1 4.48Å; M80-I150 HydrophobicContact CB-CG2 4Å; M80-I150 HydrophobicContact CG-CD1 4.18Å
81R98.2Very high97.5Very high23 Ų2331.7 Ų31.79%0.08715%0.15CC..Hα-helixtrans-68.1-33.4172.5-74.5-16863.275.45.5112.9V77 L79 I83 L84 I85 I150 W152 E156V77-R81 HydrophobicContact CG1-CG 4.36Å; V77-R81 VanDerWaalsContact O-CB 3.25Å; V77-R81 WeakPolarHBondContact O-CB 3.38Å; V77-R81 VanDerWaalsContact O-CG 3.23Å; V77-R81 WeakPolarHBondContact O-CG 3.26Å; V77-R81 PolarHBondContact O-N 3Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3.5Å; R81-I83 VanDerWaalsContact C-N 3.31Å; R81-I83 PolarHBondContact O-N 2.97Å; R81-L84 PolarHBondContact O-N 2.98Å; R81-I85 VanDerWaalsContact O-CG1 3.26Å; R81-I85 WeakPolarHBondContact O-CG1 3.07Å; R81-I85 PolarHBondContact O-N 3.01Å; R81-I150 WeakPolarHBondContact CD-O 3.46Å; R81-I150 HydrophobicContact CG-CG2 3.99Å; R81-I150 WeakPolarHBondContact CG-O 3.37Å; R81-I150 PolarHBondContact NH1-O 2.83Å; R81-W152 VanDerWaalsContact NH1-CD2 3.27Å; R81-W152 VanDerWaalsContact NH2-CZ3 3.31Å; R81-E156 IonicContact CZ-OE1 3.81Å; R81-E156 IonicContact NH1-OE1 2.66Å; R81-E156 PolarHBondContact NH1-OE1 2.99Å; R81-E156 IonicContact NH1-OE2 2.69Å; R81-E156 PolarHBondContact NH1-OE2 2.79Å; R81-E156 VanDerWaalsContact NH1-OE2 3.1Å; R81-E156 IonicContact NH2-OE1 3.35Å; R81-E156 PolarHBondContact NH2-OE1 3.26Å
82G98.4Very high97.6Very high1 Ų130.8 Ų30.81%0.0115%0.149CC..Hα-helixtrans-58.5-45.3173.200000111.7T25 K78 L79 M80 I85 C86T25-G82 WeakPolarHBondContact O-CA 3.35Å; K78-G82 PolarHBondContact O-N 2.79Å; L79-G82 PolarHBondContact O-N 2.71Å; L79-G82 VanDerWaalsContact O-N 3.1Å; M80-G82 VanDerWaalsContact C-N 3.34Å; G82-I85 PolarHBondContact O-N 2.94Å; G82-C86 PolarHBondContact O-N 2.74Å; G82-C86 VanDerWaalsContact O-N 3.17Å; G82-C86 PolarHBondContact O-SG 3.34Å; G82-C86 VanDerWaalsContact O-SG 3.32Å
83I98.5Very high97.6Very high2 Ų231.6 Ų31.61%0.0115%0.153CC..Hα-helixtrans-62.6-47.4173.9-60.2168.7000110.9L27 V39 N42 L79 M80 R81 I85 C86 Y87 F136L27-I83 HydrophobicContact CD2-CG1 4.08Å; V39-I83 HydrophobicContact CG1-CD1 4.41Å; V39-I83 HydrophobicContact CG1-CG2 3.64Å; V39-I83 HydrophobicContact CG2-CG2 4.3Å; N42-I83 HydrophobicContact CB-CD1 3.88Å; N42-I83 HydrophobicContact CB-CG1 4.31Å; L79-I83 PolarHBondContact O-N 3.1Å; L79-I83 VanDerWaalsContact O-N 3.16Å; M80-I83 PolarHBondContact O-N 3.29Å; M80-I83 HydrophobicContact SD-CD1 4.27Å; R81-I83 VanDerWaalsContact C-N 3.31Å; R81-I83 PolarHBondContact O-N 2.97Å; I83-I85 VanDerWaalsContact C-N 3.32Å; I83-I85 PolarHBondContact O-N 3.19Å; I83-C86 WeakPolarHBondContact O-CB 3.36Å; I83-C86 PolarHBondContact O-N 3Å; I83-C86 VanDerWaalsContact O-N 3.14Å; I83-Y87 HydrophobicContact CG2-CD2 3.97Å; I83-Y87 HydrophobicContact CG2-CE2 3.84Å; I83-Y87 PolarHBondContact O-N 2.93Å; I83-F136 HydrophobicContact CB-CD2 4.07Å; I83-F136 HydrophobicContact CB-CE2 3.87Å; I83-F136 HydrophobicContact CD1-CD2 4.17Å; I83-F136 HydrophobicContact CG2-CD2 3.54Å; I83-F136 HydrophobicContact CG2-CE2 3.68Å; I83-F136 HydrophobicContact CG2-CG 4.09Å; I83-F136 HydrophobicContact CG2-CZ 4.32Å
84L98.6Very high97.5Very high0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-55.7-45.7178.6178.962.5000112M80 R81 C86 Y87 M88 F136 I151 E156 F159 I160M80-L84 PolarHBondContact O-N 2.86Å; R81-L84 PolarHBondContact O-N 2.98Å; L84-C86 VanDerWaalsContact C-N 3.35Å; L84-C86 PolarHBondContact O-N 3.44Å; L84-Y87 PolarHBondContact O-N 3.38Å; L84-M88 HydrophobicContact CD1-CG 4.09Å; L84-M88 HydrophobicContact CD1-SD 4.21Å; L84-M88 HydrophobicContact CD2-SD 4.5Å; L84-M88 HydrophobicContact CG-CG 4.3Å; L84-M88 HydrophobicContact CG-SD 4Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 3.19Å; L84-F136 HydrophobicContact CB-CZ 4.18Å; L84-F136 HydrophobicContact CD1-CZ 4.47Å; L84-I151 HydrophobicContact CD1-CD1 4.49Å; L84-I151 HydrophobicContact CD2-CD1 3.59Å; L84-E156 HydrophobicContact CD2-CB 4.46Å; L84-E156 HydrophobicContact CD2-CG 4.28Å; L84-F159 HydrophobicContact CD1-CD1 4.03Å; L84-F159 HydrophobicContact CD1-CE1 4.37Å; L84-I160 HydrophobicContact CD1-CD1 3.89Å
85I98.3Very high97.5Very high45 Ų4525.5 Ų25.523%0.23113%0.126CC..Hα-helixtrans-62.7-42178.6-69.1164.5000110.9R81 G82 I83 Y87 M88 K89 Y116R81-I85 VanDerWaalsContact O-CG1 3.26Å; R81-I85 WeakPolarHBondContact O-CG1 3.07Å; R81-I85 PolarHBondContact O-N 3.01Å; G82-I85 PolarHBondContact O-N 2.94Å; I83-I85 VanDerWaalsContact C-N 3.32Å; I83-I85 PolarHBondContact O-N 3.19Å; I85-Y87 VanDerWaalsContact C-N 3.31Å; I85-Y87 PolarHBondContact O-N 3.42Å; I85-M88 PolarHBondContact O-N 3.06Å; I85-K89 HydrophobicContact CG2-CD 4.17Å; I85-K89 VanDerWaalsContact O-CG 3.31Å; I85-K89 WeakPolarHBondContact O-CG 3.38Å; I85-K89 PolarHBondContact O-N 3.38Å; I85-K89 VanDerWaalsContact O-N 3.12Å; I85-Y116 HydrophobicContact CB-CE1 4.47Å; I85-Y116 HydrophobicContact CG2-CD1 4.32Å; I85-Y116 HydrophobicContact CG2-CD2 4.24Å; I85-Y116 HydrophobicContact CG2-CE1 4.4Å; I85-Y116 HydrophobicContact CG2-CE2 4.29Å; I85-Y116 HydrophobicContact CG2-CG 4.2Å
86C98.4Very high97.3Very high1 Ų127.4 Ų27.41%0.00713%0.134CC..Hα-helixtrans-59.5-40.9175-71.30000112.3G82 I83 L84 Q90 F111G82-C86 PolarHBondContact O-N 2.74Å; G82-C86 VanDerWaalsContact O-N 3.17Å; G82-C86 PolarHBondContact O-SG 3.34Å; G82-C86 VanDerWaalsContact O-SG 3.32Å; I83-C86 WeakPolarHBondContact O-CB 3.36Å; I83-C86 PolarHBondContact O-N 3Å; I83-C86 VanDerWaalsContact O-N 3.14Å; L84-C86 VanDerWaalsContact C-N 3.35Å; L84-C86 PolarHBondContact O-N 3.44Å; C86-Q90 PolarHBondContact O-NE2 3.47Å; C86-F111 HydrophobicContact CB-CD1 3.8Å; C86-F111 HydrophobicContact CB-CD2 3.72Å; C86-F111 HydrophobicContact CB-CE1 3.74Å; C86-F111 HydrophobicContact CB-CE2 3.67Å; C86-F111 HydrophobicContact CB-CG 3.79Å; C86-F111 HydrophobicContact CB-CZ 3.68Å
87Y98.1Very high97Very high2 Ų227.7 Ų27.71%0.00814%0.135CC..Hα-helixtrans-72.4-43.9176.8-74.9-26.8000113V39 I83 L84 I85 K89 Q90 L107 F111 F136 F159 L163V39-Y87 HydrophobicContact CG1-CE2 4.18Å; V39-Y87 WeakPolarHBondContact CG1-OH 3.25Å; V39-Y87 HydrophobicContact CG2-CE1 4.13Å; I83-Y87 HydrophobicContact CG2-CD2 3.97Å; I83-Y87 HydrophobicContact CG2-CE2 3.84Å; I83-Y87 PolarHBondContact O-N 2.93Å; L84-Y87 PolarHBondContact O-N 3.38Å; I85-Y87 VanDerWaalsContact C-N 3.31Å; I85-Y87 PolarHBondContact O-N 3.42Å; Y87-K89 PolarHBondContact O-N 2.76Å; Y87-Q90 CarbonylContact O-C 3.58Å; Y87-Q90 WeakPolarHBondContact O-CA 3.39Å; Y87-Q90 PolarHBondContact O-N 2.91Å; Y87-L107 HydrophobicContact CD1-CB 4.19Å; Y87-L107 HydrophobicContact CD1-CD1 3.87Å; Y87-L107 HydrophobicContact CD1-CD2 4.38Å; Y87-L107 HydrophobicContact CD1-CG 4.39Å; Y87-L107 HydrophobicContact CE1-CB 3.98Å; Y87-L107 HydrophobicContact CE1-CD1 4.05Å; Y87-L107 HydrophobicContact CG-CD1 4.25Å; Y87-F111 HydrophobicContact CD1-CE2 4.49Å; Y87-F111 HydrophobicContact CD1-CZ 4.28Å; Y87-F111 HydrophobicContact CE1-CE2 4.37Å; Y87-F111 HydrophobicContact CE1-CZ 4.45Å; Y87-F136 HydrophobicContact CD2-CD1 4.18Å; Y87-F136 HydrophobicContact CD2-CE1 4.23Å; Y87-F136 AromaticContact CE2-CD1 3.97Å; Y87-F136 HydrophobicContact CE2-CD1 3.97Å; Y87-F136 HydrophobicContact CE2-CE1 4.47Å; Y87-F136 HydrophobicContact CE2-CG 4.23Å; Y87-F159 WeakPolarHBondContact O-CZ 3.45Å; Y87-L163 HydrophobicContact CD2-CD1 4.36Å
88M97.9Very high96.7Very high35 Ų3527.3 Ų27.317%0.17213%0.132CC..Hα-helixtrans-61.5-31.3178.9-73.8-17781.500113.1L84 I85 Q90 S91 E156 F159 L516L84-M88 HydrophobicContact CD1-CG 4.09Å; L84-M88 HydrophobicContact CD1-SD 4.21Å; L84-M88 HydrophobicContact CD2-SD 4.5Å; L84-M88 HydrophobicContact CG-CG 4.3Å; L84-M88 HydrophobicContact CG-SD 4Å; L84-M88 WeakPolarHBondContact O-CG 3.45Å; L84-M88 PolarHBondContact O-N 3.19Å; I85-M88 PolarHBondContact O-N 3.06Å; M88-Q90 PolarHBondContact O-N 3.35Å; M88-S91 WeakPolarHBondContact O-CB 3.33Å; M88-S91 PolarHBondContact O-N 3.48Å; M88-S91 PolarHBondContact O-OG 3.32Å; M88-S91 VanDerWaalsContact O-OG 3.06Å; M88-E156 HydrophobicContact CE-CG 3.85Å; M88-E156 HydrophobicContact SD-CB 4.48Å; M88-E156 HydrophobicContact SD-CG 3.74Å; M88-F159 HydrophobicContact CE-CB 4.48Å; M88-F159 HydrophobicContact CG-CB 4.27Å; M88-F159 HydrophobicContact CG-CD1 3.56Å; M88-F159 HydrophobicContact CG-CD2 4.07Å; M88-F159 HydrophobicContact CG-CE1 3.87Å; M88-F159 HydrophobicContact CG-CE2 4.37Å; M88-F159 HydrophobicContact CG-CG 3.68Å; M88-F159 HydrophobicContact CG-CZ 4.29Å; M88-L516 HydrophobicContact CE-CD1 3.98Å; M88-L516 HydrophobicContact CE-CD2 4.37Å
89K96.8Very high96.2Very high133 Ų13329.8 Ų29.858%0.57814%0.143SC*.THydrogen-bonded Turntrans-64.7-10.7172.3-77.3169.4176.7-81.30113.9I85 Y87I85-K89 HydrophobicContact CG2-CD 4.17Å; I85-K89 VanDerWaalsContact O-CG 3.31Å; I85-K89 WeakPolarHBondContact O-CG 3.38Å; I85-K89 PolarHBondContact O-N 3.38Å; I85-K89 VanDerWaalsContact O-N 3.12Å; Y87-K89 PolarHBondContact O-N 2.76Å
90Q96.9Very high95.6Very high10 Ų1032.9 Ų32.95%0.04716%0.162CC..THydrogen-bonded Turntrans-118.533.3177.5-66.9177.993.100111.7C86 Y87 M88 D92 K93 V94 L107 H108C86-Q90 PolarHBondContact O-NE2 3.47Å; Y87-Q90 CarbonylContact O-C 3.58Å; Y87-Q90 WeakPolarHBondContact O-CA 3.39Å; Y87-Q90 PolarHBondContact O-N 2.91Å; M88-Q90 PolarHBondContact O-N 3.35Å; Q90-D92 VanDerWaalsContact C-N 3.3Å; Q90-D92 VanDerWaalsContact C-OD1 3.26Å; Q90-D92 WeakPolarHBondContact CA-OD1 3.31Å; Q90-D92 PolarHBondContact O-N 3.17Å; Q90-K93 HydrophobicContact CB-CB 4.35Å; Q90-K93 HydrophobicContact CB-CD 4.26Å; Q90-K93 HydrophobicContact CB-CG 4.42Å; Q90-K93 HydrophobicContact CG-CD 4.34Å; Q90-K93 WeakPolarHBondContact O-CB 3.5Å; Q90-K93 PolarHBondContact O-N 3.14Å; Q90-K93 VanDerWaalsContact O-N 3.14Å; Q90-V94 PolarHBondContact O-N 3.44Å; Q90-L107 HydrophobicContact CB-CD2 3.49Å; Q90-L107 VanDerWaalsContact CB-CD2 3.49Å; Q90-L107 HydrophobicContact CG-CD2 4.47Å; Q90-H108 PolarHBondContact OE1-CD2 3.27Å; Q90-H108 VanDerWaalsContact OE1-N 3.12Å
91S96.7Very high95Very high19 Ų1936 Ų3613%0.13318%0.176CC..Hα-helixtrans-63-33-179.538.10000113.7M88 K93 V94 E95 L518M88-S91 WeakPolarHBondContact O-CB 3.33Å; M88-S91 PolarHBondContact O-N 3.48Å; M88-S91 PolarHBondContact O-OG 3.32Å; M88-S91 VanDerWaalsContact O-OG 3.06Å; S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.82Å; S91-V94 WeakPolarHBondContact O-CB 3.37Å; S91-V94 PolarHBondContact O-N 3.16Å; S91-E95 PolarHBondContact O-N 3.12Å; S91-E95 VanDerWaalsContact O-N 3.1Å; S91-L518 WeakPolarHBondContact O-CD2 3.43Å
92D96Very high94.4Very high94 Ų9438.5 Ų38.550%0.50319%0.191SC..Hα-helixtrans-57.6-42.4170.361-38.7000112.1Q90 E95 L96Q90-D92 VanDerWaalsContact C-N 3.3Å; Q90-D92 VanDerWaalsContact C-OD1 3.26Å; Q90-D92 WeakPolarHBondContact CA-OD1 3.31Å; Q90-D92 PolarHBondContact O-N 3.17Å; D92-E95 PolarHBondContact O-N 3.41Å; D92-L96 WeakPolarHBondContact O-CG 3.25Å; D92-L96 PolarHBondContact O-N 3.1Å; D92-L96 VanDerWaalsContact O-N 3.1Å
93K96.6Very high93.9Very high22 Ų2240.4 Ų40.410%0.09620%0.204CC..Hα-helixtrans-65.7-40.8175.2-65.3-168.8177.6-1790112.5Q90 S91 E95 L96 L97 L107 H108 D122Q90-K93 HydrophobicContact CB-CB 4.35Å; Q90-K93 HydrophobicContact CB-CD 4.26Å; Q90-K93 HydrophobicContact CB-CG 4.42Å; Q90-K93 HydrophobicContact CG-CD 4.34Å; Q90-K93 WeakPolarHBondContact O-CB 3.5Å; Q90-K93 PolarHBondContact O-N 3.14Å; Q90-K93 VanDerWaalsContact O-N 3.14Å; S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.82Å; K93-E95 VanDerWaalsContact C-N 3.3Å; K93-E95 PolarHBondContact O-N 2.74Å; K93-L96 PolarHBondContact O-N 3.46Å; K93-L97 VanDerWaalsContact O-CB 3.31Å; K93-L97 WeakPolarHBondContact O-CB 3.07Å; K93-L97 PolarHBondContact O-N 2.81Å; K93-L107 HydrophobicContact CB-CD2 4.44Å; K93-H108 PolarHBondContact NZ-CD2 3.35Å; K93-H108 PolarHBondContact NZ-NE2 2.84Å; K93-D122 IonicContact NZ-OD1 2.98Å; K93-D122 PolarHBondContact NZ-OD1 3.4Å; K93-D122 IonicContact NZ-OD2 3.62Å
94V95.5Very high93.5Very high1 Ų143.1 Ų43.11%0.00622%0.218CC..Hα-helixtrans-57.2-45.4175179.20000110.7Q90 S91 L96 L97 K98 L107 F159 N162 L163 L518Q90-V94 PolarHBondContact O-N 3.44Å; S91-V94 WeakPolarHBondContact O-CB 3.37Å; S91-V94 PolarHBondContact O-N 3.16Å; V94-L96 PolarHBondContact O-N 2.74Å; V94-L97 PolarHBondContact O-N 2.78Å; V94-K98 WeakPolarHBondContact O-CG 3.43Å; V94-K98 PolarHBondContact O-N 3.35Å; V94-K98 VanDerWaalsContact O-N 3.16Å; V94-L107 HydrophobicContact CG2-CD1 4.07Å; V94-L107 HydrophobicContact CG2-CD2 3.81Å; V94-L107 HydrophobicContact CG2-CG 4.21Å; V94-F159 HydrophobicContact CG2-CE2 3.82Å; V94-F159 HydrophobicContact CG2-CZ 4.01Å; V94-N162 HydrophobicContact CG1-CB 3.84Å; V94-L163 HydrophobicContact CG1-CD2 4.28Å; V94-L163 HydrophobicContact CG2-CD2 3.82Å; V94-L518 HydrophobicContact CB-CD2 4.4Å; V94-L518 HydrophobicContact CG1-CD2 4.41Å
95E95.2Very high93.3Very high18 Ų1845.4 Ų45.48%0.08423%0.228CC..Hα-helixtrans-61.8-41.5177.7-177.461.1-159.300112.4S91 D92 K93 K98 K99 L518 S519S91-E95 PolarHBondContact O-N 3.12Å; S91-E95 VanDerWaalsContact O-N 3.1Å; D92-E95 PolarHBondContact O-N 3.41Å; K93-E95 VanDerWaalsContact C-N 3.3Å; K93-E95 PolarHBondContact O-N 2.74Å; E95-K98 VanDerWaalsContact OE2-CE 3.23Å; E95-K98 WeakPolarHBondContact OE2-CE 3.32Å; E95-K98 IonicContact OE2-NZ 2.53Å; E95-K98 PolarHBondContact OE2-NZ 3.29Å; E95-K99 WeakPolarHBondContact OE1-CE 3.47Å; E95-K99 IonicContact OE1-NZ 3.78Å; E95-K99 PolarHBondContact OE1-NZ 2.88Å; E95-L518 HydrophobicContact CB-CD2 4.23Å; E95-S519 VanDerWaalsContact CD-OG 3.24Å; E95-S519 WeakPolarHBondContact OE1-CB 3.49Å; E95-S519 PolarHBondContact OE1-OG 3.16Å; E95-S519 PolarHBondContact OE2-N 3.16Å; E95-S519 PolarHBondContact OE2-OG 3.04Å; E95-S519 VanDerWaalsContact OE2-OG 3.11Å
96L94.2Very high93.1Very high73 Ų7343.4 Ų43.438%0.38222%0.218SC..Hα-helixtrans-70.5-39.5177.2-68.8172.2000112.5D92 K93 V94 K98 K99 T100 H105D92-L96 WeakPolarHBondContact O-CG 3.25Å; D92-L96 PolarHBondContact O-N 3.1Å; D92-L96 VanDerWaalsContact O-N 3.1Å; K93-L96 PolarHBondContact O-N 3.46Å; V94-L96 PolarHBondContact O-N 2.74Å; L96-K98 PolarHBondContact O-N 2.91Å; L96-K99 PolarHBondContact O-N 3.05Å; L96-K99 VanDerWaalsContact O-N 3.15Å; L96-T100 WeakPolarHBondContact O-CB 3.1Å; L96-T100 WeakPolarHBondContact O-CG2 3.46Å; L96-T100 PolarHBondContact O-N 2.8Å; L96-T100 PolarHBondContact O-OG1 3.46Å; L96-H105 HydrophobicContact CB-CB 3.83Å
97L91.9Very high93Very high5 Ų543.6 Ų43.63%0.02622%0.219CC..Hα-helixtrans-63.1-42.9-179.5-174.463.3000111.4K93 V94 K99 T100 Q101 H105 L128 C166K93-L97 VanDerWaalsContact O-CB 3.31Å; K93-L97 WeakPolarHBondContact O-CB 3.07Å; K93-L97 PolarHBondContact O-N 2.81Å; V94-L97 PolarHBondContact O-N 2.78Å; L97-K99 PolarHBondContact O-N 3.12Å; L97-K99 VanDerWaalsContact O-N 3.16Å; L97-T100 PolarHBondContact O-N 3.3Å; L97-Q101 WeakPolarHBondContact O-CA 3.48Å; L97-Q101 PolarHBondContact O-N 3.44Å; L97-H105 HydrophobicContact CB-CB 4.45Å; L97-L128 HydrophobicContact CD1-CD1 4.23Å; L97-C166 HydrophobicContact CD2-CB 4.24Å
98K91.1Very high93Very high11 Ų1143.5 Ų43.55%0.04822%0.219CC..Hα-helixtrans-56.6-29.8175.1-72.8-176.2-58.9169.50113.5V94 E95 L96 N162 F165 G520V94-K98 WeakPolarHBondContact O-CG 3.43Å; V94-K98 PolarHBondContact O-N 3.35Å; V94-K98 VanDerWaalsContact O-N 3.16Å; E95-K98 VanDerWaalsContact OE2-CE 3.23Å; E95-K98 WeakPolarHBondContact OE2-CE 3.32Å; E95-K98 IonicContact OE2-NZ 2.53Å; E95-K98 PolarHBondContact OE2-NZ 3.29Å; L96-K98 PolarHBondContact O-N 2.91Å; K98-N162 WeakPolarHBondContact CE-OD1 3.22Å; K98-N162 PolarHBondContact NZ-OD1 2.92Å; K98-F165 HydrophobicContact CD-CB 3.91Å; K98-F165 HydrophobicContact CD-CD2 4.21Å; K98-F165 HydrophobicContact CG-CB 4.29Å; K98-G520 PolarHBondContact NZ-O 3.04Å
99K85.9Confident92.8Very high131 Ų13142 Ų4257%0.5721%0.212SC*.Hα-helixtrans-92.6-42.3-176.7-67.8175.5-174.8162.10112.8E95 L96 L97E95-K99 WeakPolarHBondContact OE1-CE 3.47Å; E95-K99 IonicContact OE1-NZ 3.78Å; E95-K99 PolarHBondContact OE1-NZ 2.88Å; L96-K99 PolarHBondContact O-N 3.05Å; L96-K99 VanDerWaalsContact O-N 3.15Å; L97-K99 PolarHBondContact O-N 3.12Å; L97-K99 VanDerWaalsContact O-N 3.16Å
100T86.1Confident92.7Very high65 Ų6536.1 Ų36.140%0.39919%0.186SC..Hα-helixtrans-101.8-27.3-167.461.40000113.4L96 L97 N102 H105L96-T100 WeakPolarHBondContact O-CB 3.1Å; L96-T100 WeakPolarHBondContact O-CG2 3.46Å; L96-T100 PolarHBondContact O-N 2.8Å; L96-T100 PolarHBondContact O-OG1 3.46Å; L97-T100 PolarHBondContact O-N 3.3Å; T100-N102 PolarHBondContact O-N 2.71Å; T100-N102 PolarHBondContact OG1-N 3.15Å; T100-H105 PolarHBondContact OG1-ND1 3.31Å
101Q85.1Confident92.8Very high65 Ų6535.8 Ų35.830%0.30419%0.185SC..  trans51.522.1-171.1-60.6171.810.600113.4L97 R172 I173L97-Q101 WeakPolarHBondContact O-CA 3.48Å; L97-Q101 PolarHBondContact O-N 3.44Å; Q101-R172 VanDerWaalsContact NE2-NH2 3.14Å; Q101-I173 HydrophobicContact CB-CG1 4.46Å; Q101-I173 HydrophobicContact CG-CD1 4.2Å; Q101-I173 HydrophobicContact CG-CG1 4.34Å
102N85.6Confident92.8Very high76 Ų7635.9 Ų35.941%0.40618%0.183SC..  trans-88.2135-175.4-172.8-42.8000110.4T100 I104 H105T100-N102 PolarHBondContact O-N 2.71Å; T100-N102 PolarHBondContact OG1-N 3.15Å; N102-I104 HydrophobicContact CB-CG2 4.21Å; N102-I104 PolarHBondContact O-N 3.33Å; N102-I104 VanDerWaalsContact O-N 3.09Å; N102-I104 VanDerWaalsContact OD1-CG2 3.28Å; N102-I104 WeakPolarHBondContact OD1-CG2 3.37Å; N102-I104 PolarHBondContact OD1-N 2.96Å; N102-H105 PolarHBondContact O-N 3Å
103P88.3Confident92.8Very high41 Ų4131.6 Ų31.627%0.26616%0.161SC..G310 helixtrans-48.9-33.4175.5-29.233.5000115.6H105 S106 L128 Y176P103-H105 PolarHBondContact O-N 3.06Å; P103-S106 WeakPolarHBondContact O-CB 3.49Å; P103-S106 PolarHBondContact O-N 3.01Å; P103-S106 PolarHBondContact O-OG 2.93Å; P103-L128 HydrophobicContact CB-CB 4.36Å; P103-L128 HydrophobicContact CB-CD2 4.2Å; P103-L128 HydrophobicContact CG-CD2 3.85Å; P103-Y176 HydrophobicContact CB-CE2 4.39Å
104I90.9Very high92.7Very high59 Ų5934.2 Ų34.230%0.30318%0.179SC..G310 helixtrans-63.5-25.9179.9-164.5173.2000113.3N102 S106 D122 L123N102-I104 HydrophobicContact CB-CG2 4.21Å; N102-I104 PolarHBondContact O-N 3.33Å; N102-I104 VanDerWaalsContact O-N 3.09Å; N102-I104 VanDerWaalsContact OD1-CG2 3.28Å; N102-I104 WeakPolarHBondContact OD1-CG2 3.37Å; N102-I104 PolarHBondContact OD1-N 2.96Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-D122 HydrophobicContact CG1-CB 4.4Å; I104-L123 HydrophobicContact CB-CD2 4.15Å; I104-L123 HydrophobicContact CD1-CD1 4.46Å; I104-L123 HydrophobicContact CD1-CD2 4.1Å; I104-L123 HydrophobicContact CD1-CG 4.41Å; I104-L123 HydrophobicContact CG1-CD2 3.85Å; I104-L123 HydrophobicContact CG1-CG 4.38Å
105H93.3Very high92.7Very high47 Ų4736.2 Ų36.222%0.21819%0.193CC..G310 helixtrans-95.49.8178.7-52.4132000112.5L96 L97 T100 N102 P103L96-H105 HydrophobicContact CB-CB 3.83Å; L97-H105 HydrophobicContact CB-CB 4.45Å; T100-H105 PolarHBondContact OG1-ND1 3.31Å; N102-H105 PolarHBondContact O-N 3Å; P103-H105 PolarHBondContact O-N 3.06Å
106S94.7Very high92.8Very high3 Ų337.6 Ų37.62%0.02120%0.198CC..PPolyproline II helixtrans-69.5151.2178.562.60000112.4P103 I104 H127 L128P103-S106 WeakPolarHBondContact O-CB 3.49Å; P103-S106 PolarHBondContact O-N 3.01Å; P103-S106 PolarHBondContact O-OG 2.93Å; I104-S106 VanDerWaalsContact C-N 3.34Å; S106-H127 WeakPolarHBondContact OG-CB 3.37Å; S106-L128 PolarHBondContact OG-N 3.01Å; S106-L128 VanDerWaalsContact OG-N 3.16Å
107L96.4Very high92.9Very high5 Ų541.1 Ų41.13%0.02621%0.21CC..PPolyproline II helixtrans-68.2137.7171.7-70.8174.9000109.9Y87 Q90 K93 V94 A109 H127 I133 L163Y87-L107 HydrophobicContact CD1-CB 4.19Å; Y87-L107 HydrophobicContact CD1-CD1 3.87Å; Y87-L107 HydrophobicContact CD1-CD2 4.38Å; Y87-L107 HydrophobicContact CD1-CG 4.39Å; Y87-L107 HydrophobicContact CE1-CB 3.98Å; Y87-L107 HydrophobicContact CE1-CD1 4.05Å; Y87-L107 HydrophobicContact CG-CD1 4.25Å; Q90-L107 HydrophobicContact CB-CD2 3.49Å; Q90-L107 VanDerWaalsContact CB-CD2 3.49Å; Q90-L107 HydrophobicContact CG-CD2 4.47Å; K93-L107 HydrophobicContact CB-CD2 4.44Å; V94-L107 HydrophobicContact CG2-CD1 4.07Å; V94-L107 HydrophobicContact CG2-CD2 3.81Å; V94-L107 HydrophobicContact CG2-CG 4.21Å; L107-A109 PolarHBondContact O-N 3.24Å; L107-H127 VanDerWaalsContact O-O 3.09Å; L107-I133 HydrophobicContact CB-CD1 4.42Å; L107-I133 HydrophobicContact CD1-CD1 3.96Å; L107-I133 HydrophobicContact CD1-CG1 4.34Å; L107-L163 HydrophobicContact CD1-CD2 3.57Å
108H97.2Very high93Very high1 Ų144.2 Ų44.21%0.00523%0.229CC..PPolyproline II helixtrans-62.7138.4175.3-78.7-148.8000111.8Q90 K93 F111 T118 V120 D122 H127Q90-H108 PolarHBondContact OE1-CD2 3.27Å; Q90-H108 VanDerWaalsContact OE1-N 3.12Å; K93-H108 PolarHBondContact NZ-CD2 3.35Å; K93-H108 PolarHBondContact NZ-NE2 2.84Å; H108-F111 HydrophobicContact CB-CE1 3.93Å; H108-F111 HydrophobicContact CB-CZ 3.84Å; H108-F111 VanDerWaalsContact O-CE2 3.22Å; H108-F111 WeakPolarHBondContact O-CE2 3.26Å; H108-F111 WeakPolarHBondContact O-CZ 3.31Å; H108-T118 HydrophobicContact CB-CG2 4.2Å; H108-T118 VanDerWaalsContact ND1-CB 3.29Å; H108-T118 WeakPolarHBondContact ND1-CB 3.48Å; H108-T118 WeakPolarHBondContact ND1-CG2 3.33Å; H108-V120 PolarHBondContact CE1-O 3.24Å; H108-D122 IonicContact CD2-OD1 3.26Å; H108-D122 IonicContact CE1-OD1 3.98Å; H108-D122 IonicContact NE2-OD1 3.42Å; H108-D122 PolarHBondContact NE2-OD1 3.1Å; H108-H127 AromaticContact CD2-CD2 3.51Å; H108-H127 AromaticContact CD2-CE1 3.99Å; H108-H127 AromaticContact CD2-CG 3.88Å; H108-H127 AromaticContact CD2-NE2 3.6Å; H108-H127 AromaticContact CE1-CD2 3.94Å; H108-H127 AromaticContact CE1-NE2 3.38Å; H108-H127 PolarHBondContact CE1-NE2 2.97Å; H108-H127 AromaticContact CG-CD2 3.95Å; H108-H127 AromaticContact CG-CE1 3.64Å; H108-H127 AromaticContact CG-NE2 3.61Å; H108-H127 AromaticContact ND1-CE1 3.68Å; H108-H127 AromaticContact ND1-NE2 3.49Å; H108-H127 PolarHBondContact ND1-NE2 3.49Å; H108-H127 AromaticContact NE2-CD2 3.51Å; H108-H127 AromaticContact NE2-NE2 3.45Å; H108-H127 PolarHBondContact NE2-NE2 3.28Å
109A94.7Very high93.2Very high3 Ų345.6 Ų45.63%0.02524%0.238CC..SBendtrans-88.3-14.8-179.900000113.9V39 L107 H127 Q129V39-A109 WeakPolarHBondContact CG2-O 3.36Å; V39-A109 PolarHBondContact N-O 3.22Å; L107-A109 PolarHBondContact O-N 3.24Å; A109-H127 PolarHBondContact N-ND1 2.94Å; A109-Q129 HydrophobicContact CB-CG 4.48Å
110K95.5Very high93.6Very high9 Ų940.7 Ų40.74%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-140139.9-177.360.4-178.7-180-171.60111.9A37 W38 V119 V120A37-K110 WeakPolarHBondContact O-CA 3.41Å; W38-K110 HydrophobicContact CD2-CB 4.13Å; W38-K110 HydrophobicContact CG-CB 4.23Å; W38-K110 HydrophobicContact CZ2-CD 3.87Å; K110-V119 HydrophobicContact CB-CG2 4.35Å; K110-V119 HydrophobicContact CD-CG2 4.05Å; K110-V119 HydrophobicContact CG-CG2 3.74Å; K110-V120 HydrophobicContact CG-CG2 4.46Å
111F97.7Very high93.9Very high4 Ų438.9 Ų38.92%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-133.3166.5-175.7-60-84.3000111.5A37 V39 C86 Y87 H108 S113 K117 T118A37-F111 PolarHBondContact N-O 2.72Å; A37-F111 PolarHBondContact O-N 3.45Å; V39-F111 HydrophobicContact CG2-CD2 3.95Å; V39-F111 HydrophobicContact CG2-CE2 3.57Å; C86-F111 HydrophobicContact CB-CD1 3.8Å; C86-F111 HydrophobicContact CB-CD2 3.72Å; C86-F111 HydrophobicContact CB-CE1 3.74Å; C86-F111 HydrophobicContact CB-CE2 3.67Å; C86-F111 HydrophobicContact CB-CG 3.79Å; C86-F111 HydrophobicContact CB-CZ 3.68Å; Y87-F111 HydrophobicContact CD1-CE2 4.49Å; Y87-F111 HydrophobicContact CD1-CZ 4.28Å; Y87-F111 HydrophobicContact CE1-CE2 4.37Å; Y87-F111 HydrophobicContact CE1-CZ 4.45Å; H108-F111 HydrophobicContact CB-CE1 3.93Å; H108-F111 HydrophobicContact CB-CZ 3.84Å; H108-F111 VanDerWaalsContact O-CE2 3.22Å; H108-F111 WeakPolarHBondContact O-CE2 3.26Å; H108-F111 WeakPolarHBondContact O-CZ 3.31Å; F111-S113 PolarHBondContact O-N 3Å; F111-K117 CarbonylContact C-O 3.58Å; F111-K117 WeakPolarHBondContact CA-O 3.27Å; F111-T118 HydrophobicContact CD1-CG2 4.41Å; F111-T118 HydrophobicContact CE1-CG2 4.19Å
112D97.3Very high94.3Very high20 Ų2039.1 Ų39.111%0.10722%0.217CC..EExtended strand (participates in β ladder)trans-77.2119.9171.3-177.6-99.5000109.6S35 T114 S115 Y116 K117 V119S35-D112 WeakPolarHBondContact CB-OD2 3.31Å; S35-D112 PolarHBondContact OG-OD2 2.53Å; D112-T114 PolarHBondContact O-N 2.86Å; D112-T114 VanDerWaalsContact O-N 3.11Å; D112-T114 WeakPolarHBondContact OD1-CA 3.46Å; D112-T114 PolarHBondContact OD1-N 3.31Å; D112-T114 PolarHBondContact OD1-OG1 3Å; D112-S115 WeakPolarHBondContact CB-OG 3.46Å; D112-S115 PolarHBondContact O-N 2.96Å; D112-S115 WeakPolarHBondContact OD1-CB 3.34Å; D112-S115 PolarHBondContact OD1-N 3.4Å; D112-S115 PolarHBondContact OD1-OG 3.29Å; D112-Y116 PolarHBondContact O-N 3.34Å; D112-K117 PolarHBondContact N-O 2.96Å; D112-V119 HydrophobicContact CB-CG1 3.68Å; D112-V119 VanDerWaalsContact N-CG1 3.35Å
113S96Very high94.5Very high5 Ų542.2 Ų42.24%0.03523%0.233CC..THydrogen-bonded Turntrans-59.1-21.9-179.253.10000113.3T25 S35 F111T25-S113 WeakPolarHBondContact CB-O 3.4Å; T25-S113 WeakPolarHBondContact CG2-O 3.37Å; T25-S113 PolarHBondContact OG1-O 2.6Å; S35-S113 VanDerWaalsContact O-CB 3.22Å; S35-S113 WeakPolarHBondContact O-CB 3.23Å; S35-S113 PolarHBondContact O-N 2.76Å; S35-S113 PolarHBondContact O-OG 2.97Å; F111-S113 PolarHBondContact O-N 3Å
114T95.3Very high94.5Very high77 Ų7746.8 Ų46.847%0.47225%0.251SS..THydrogen-bonded Turntrans-97.9-25.4-176.470.90000113.9T25 D112T25-T114 VanDerWaalsContact CG2-O 3.31Å; T25-T114 WeakPolarHBondContact CG2-O 3.44Å; D112-T114 PolarHBondContact O-N 2.86Å; D112-T114 VanDerWaalsContact O-N 3.11Å; D112-T114 WeakPolarHBondContact OD1-CA 3.46Å; D112-T114 PolarHBondContact OD1-N 3.31Å; D112-T114 PolarHBondContact OD1-OG1 3Å
115S95.3Very high94.5Very high43 Ų4348.1 Ų48.130%0.30125%0.252SS..THydrogen-bonded Turntrans-128.2-4.8-167.465.90000115.8D112 K117D112-S115 WeakPolarHBondContact CB-OG 3.46Å; D112-S115 PolarHBondContact O-N 2.96Å; D112-S115 WeakPolarHBondContact OD1-CB 3.34Å; D112-S115 PolarHBondContact OD1-N 3.4Å; D112-S115 PolarHBondContact OD1-OG 3.29Å; S115-K117 PolarHBondContact O-N 2.7Å
116Y95.8Very high94.3Very high46 Ų4646.3 Ų46.318%0.1825%0.246CC..  trans64.36.6-172.7-50.5-70000115.3T25 L27 I85 D112T25-Y116 VanDerWaalsContact CA-OH 3.29Å; T25-Y116 WeakPolarHBondContact CA-OH 3.49Å; T25-Y116 HydrophobicContact CG2-CD1 3.95Å; T25-Y116 HydrophobicContact CG2-CD2 4.07Å; T25-Y116 HydrophobicContact CG2-CE1 3.65Å; T25-Y116 HydrophobicContact CG2-CE2 3.79Å; T25-Y116 HydrophobicContact CG2-CG 4.18Å; L27-Y116 HydrophobicContact CD1-CD1 4.05Å; L27-Y116 HydrophobicContact CD1-CE1 4.5Å; I85-Y116 HydrophobicContact CB-CE1 4.47Å; I85-Y116 HydrophobicContact CG2-CD1 4.32Å; I85-Y116 HydrophobicContact CG2-CD2 4.24Å; I85-Y116 HydrophobicContact CG2-CE1 4.4Å; I85-Y116 HydrophobicContact CG2-CE2 4.29Å; I85-Y116 HydrophobicContact CG2-CG 4.2Å; D112-Y116 PolarHBondContact O-N 3.34Å
117K96.3Very high94.4Very high147 Ų14746.3 Ų46.364%0.63925%0.245SC*.  trans-79.2155.5-177.1-67.3-178.7179.3179.70111.1F111 D112 S115F111-K117 CarbonylContact C-O 3.58Å; F111-K117 WeakPolarHBondContact CA-O 3.27Å; D112-K117 PolarHBondContact N-O 2.96Å; S115-K117 PolarHBondContact O-N 2.7Å
118T95.5Very high94.3Very high71 Ų7146.2 Ų46.244%0.43625%0.245SC..BIsolated β-bridgetrans-64141.8166.756.50000109.3H108 F111H108-T118 HydrophobicContact CB-CG2 4.2Å; H108-T118 VanDerWaalsContact ND1-CB 3.29Å; H108-T118 WeakPolarHBondContact ND1-CB 3.48Å; H108-T118 WeakPolarHBondContact ND1-CG2 3.33Å; F111-T118 HydrophobicContact CD1-CG2 4.41Å; F111-T118 HydrophobicContact CE1-CG2 4.19Å
119V94.9Very high94.2Very high39 Ų3946.4 Ų46.424%0.23625%0.246CC..SBendtrans-102.9-11.5-177.6-69.80000113.4K110 D112K110-V119 HydrophobicContact CB-CG2 4.35Å; K110-V119 HydrophobicContact CD-CG2 4.05Å; K110-V119 HydrophobicContact CG-CG2 3.74Å; D112-V119 HydrophobicContact CB-CG1 3.68Å; D112-V119 VanDerWaalsContact N-CG1 3.35Å
120V93.6Very high94.4Very high29 Ų2946.3 Ų46.318%0.17625%0.245CC..SBendtrans-140.3167.1179.9-67.90000109.2H108 K110 E124 W125 H127H108-V120 PolarHBondContact CE1-O 3.24Å; K110-V120 HydrophobicContact CG-CG2 4.46Å; V120-E124 HydrophobicContact CB-CB 4.22Å; V120-W125 HydrophobicContact CG2-CB 4.09Å; V120-H127 VanDerWaalsContact CG2-CE1 3.43Å; V120-H127 WeakPolarHBondContact CG2-CE1 3.46Å; V120-H127 WeakPolarHBondContact CG2-NE2 3.31Å
121G93.4Very high94.5Very high27 Ų2746.1 Ų46.128%0.27824%0.244SC..  trans-80.6166174.900000114L123 E124 H127G121-L123 PolarHBondContact O-N 2.96Å; G121-L123 VanDerWaalsContact O-N 3.17Å; G121-E124 PolarHBondContact N-OE2 3.06Å; G121-E124 PolarHBondContact O-N 2.91Å; G121-E124 VanDerWaalsContact O-N 3.14Å; G121-H127 PolarHBondContact O-NE2 3.45Å
122D92.6Very high94.5Very high70 Ų7046 Ų4637%0.37424%0.244SC..THydrogen-bonded Turntrans-61.4-26.3-173.4-66.1-19.5000115.1K93 I104 H108K93-D122 IonicContact NZ-OD1 2.98Å; K93-D122 PolarHBondContact NZ-OD1 3.4Å; K93-D122 IonicContact NZ-OD2 3.62Å; I104-D122 HydrophobicContact CG1-CB 4.4Å; H108-D122 IonicContact CD2-OD1 3.26Å; H108-D122 IonicContact CE1-OD1 3.98Å; H108-D122 IonicContact NE2-OD1 3.42Å; H108-D122 PolarHBondContact NE2-OD1 3.1Å
123L89.4Confident94.5Very high140 Ų14045.3 Ų45.373%0.73324%0.24SC*.THydrogen-bonded Turntrans-107.8-0.7-179.7-62.1177.7000113.1I104 G121 W125I104-L123 HydrophobicContact CB-CD2 4.15Å; I104-L123 HydrophobicContact CD1-CD1 4.46Å; I104-L123 HydrophobicContact CD1-CD2 4.1Å; I104-L123 HydrophobicContact CD1-CG 4.41Å; I104-L123 HydrophobicContact CG1-CD2 3.85Å; I104-L123 HydrophobicContact CG1-CG 4.38Å; G121-L123 PolarHBondContact O-N 2.96Å; G121-L123 VanDerWaalsContact O-N 3.17Å; L123-W125 VanDerWaalsContact C-N 3.33Å
124E89.3Confident94.6Very high138 Ų13845 Ų4565%0.64524%0.238SC*.SBendtrans-86.7-8-174.4-64.1-177.6166.600112.7V120 G121V120-E124 HydrophobicContact CB-CB 4.22Å; G121-E124 PolarHBondContact N-OE2 3.06Å; G121-E124 PolarHBondContact O-N 2.91Å; G121-E124 VanDerWaalsContact O-N 3.14Å
125W89.6Confident94.8Very high87 Ų8741.5 Ų41.533%0.3322%0.216SC..SBendtrans-147.8153.9-177.5-161.5-100.3000111.9V120 L123 H127 E180V120-W125 HydrophobicContact CG2-CB 4.09Å; L123-W125 VanDerWaalsContact C-N 3.33Å; W125-H127 AromaticContact CD1-ND1 3.73Å; W125-H127 PolarHBondContact O-N 3.16Å; W125-E180 WeakPolarHBondContact CZ2-OE2 3.48Å; W125-E180 PolarHBondContact NE1-OE2 3.49Å
126G90.4Very high94.9Very high8 Ų839.4 Ų39.48%0.08220%0.202CC..  trans-70.869.4171.600000111.8Q129 Y176G126-Q129 WeakPolarHBondContact O-CG 3.48Å; G126-Q129 PolarHBondContact O-NE2 3.36Å; G126-Y176 VanDerWaalsContact C-CD2 3.43Å; G126-Y176 VanDerWaalsContact CA-CG 3.48Å
127H95.2Very high95.1Very high3 Ų337.2 Ų37.21%0.01419%0.194CC..  trans-73.5-26.1-174.1-75.6-45.1000114.1S106 L107 H108 A109 V120 G121 W125 Q129S106-H127 WeakPolarHBondContact OG-CB 3.37Å; L107-H127 VanDerWaalsContact O-O 3.09Å; H108-H127 AromaticContact CD2-CD2 3.51Å; H108-H127 AromaticContact CD2-CE1 3.99Å; H108-H127 AromaticContact CD2-CG 3.88Å; H108-H127 AromaticContact CD2-NE2 3.6Å; H108-H127 AromaticContact CE1-CD2 3.94Å; H108-H127 AromaticContact CE1-NE2 3.38Å; H108-H127 PolarHBondContact CE1-NE2 2.97Å; H108-H127 AromaticContact CG-CD2 3.95Å; H108-H127 AromaticContact CG-CE1 3.64Å; H108-H127 AromaticContact CG-NE2 3.61Å; H108-H127 AromaticContact ND1-CE1 3.68Å; H108-H127 AromaticContact ND1-NE2 3.49Å; H108-H127 PolarHBondContact ND1-NE2 3.49Å; H108-H127 AromaticContact NE2-CD2 3.51Å; H108-H127 AromaticContact NE2-NE2 3.45Å; H108-H127 PolarHBondContact NE2-NE2 3.28Å; A109-H127 PolarHBondContact N-ND1 2.94Å; V120-H127 VanDerWaalsContact CG2-CE1 3.43Å; V120-H127 WeakPolarHBondContact CG2-CE1 3.46Å; V120-H127 WeakPolarHBondContact CG2-NE2 3.31Å; G121-H127 PolarHBondContact O-NE2 3.45Å; W125-H127 AromaticContact CD1-ND1 3.73Å; W125-H127 PolarHBondContact O-N 3.16Å; H127-Q129 VanDerWaalsContact C-N 3.31Å; H127-Q129 PolarHBondContact O-N 2.97Å
128L95.7Very high95.2Very high3 Ų330.2 Ų30.22%0.01616%0.163CC..  trans-7090.5175.2-173.463.6000109.3L97 P103 S106 I130 I173 P174 D175 Y176L97-L128 HydrophobicContact CD1-CD1 4.23Å; P103-L128 HydrophobicContact CB-CB 4.36Å; P103-L128 HydrophobicContact CB-CD2 4.2Å; P103-L128 HydrophobicContact CG-CD2 3.85Å; S106-L128 PolarHBondContact OG-N 3.01Å; S106-L128 VanDerWaalsContact OG-N 3.16Å; L128-I130 HydrophobicContact CD1-CD1 4.2Å; L128-I173 HydrophobicContact CD1-CG2 4.36Å; L128-I173 HydrophobicContact CD2-CG2 4.01Å; L128-P174 VanDerWaalsContact CD2-O 3.26Å; L128-P174 WeakPolarHBondContact CD2-O 3.37Å; L128-D175 HydrophobicContact CD2-CB 4.34Å; L128-D175 HydrophobicContact CG-CB 3.94Å; L128-D175 WeakPolarHBondContact O-CB 3.47Å; L128-Y176 HydrophobicContact CB-CD2 3.92Å; L128-Y176 HydrophobicContact CB-CE2 4.16Å; L128-Y176 WeakPolarHBondContact O-CD2 3.43Å; L128-Y176 PolarHBondContact O-N 3.35Å
129Q95.7Very high95.3Very high5 Ų526.9 Ų26.92%0.02314%0.142CC..  trans-129.391.8-179.2-65.9178.121.300108.2R40 A109 G126 H127 D131 A132 E180R40-Q129 VanDerWaalsContact NH1-OE1 3.17Å; A109-Q129 HydrophobicContact CB-CG 4.48Å; G126-Q129 WeakPolarHBondContact O-CG 3.48Å; G126-Q129 PolarHBondContact O-NE2 3.36Å; H127-Q129 VanDerWaalsContact C-N 3.31Å; H127-Q129 PolarHBondContact O-N 2.97Å; Q129-D131 VanDerWaalsContact C-N 3.27Å; Q129-D131 PolarHBondContact O-N 2.88Å; Q129-A132 HydrophobicContact CB-CB 3.93Å; Q129-A132 PolarHBondContact O-N 3.5Å; Q129-E180 PolarHBondContact NE2-OE2 2.87Å
130I97.2Very high95.5Very high1 Ų125 Ų251%0.00513%0.131CC..Hα-helixtrans-70-31.5-177.8-62.9-63000110.1L128 A132 I133 S134 I167 A170 D175 A200L128-I130 HydrophobicContact CD1-CD1 4.2Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.36Å; I130-I133 PolarHBondContact O-N 3.34Å; I130-S134 WeakPolarHBondContact O-CB 3.17Å; I130-S134 PolarHBondContact O-N 3.37Å; I130-S134 PolarHBondContact O-OG 3.42Å; I130-I167 HydrophobicContact CG2-CB 4.41Å; I130-I167 HydrophobicContact CG2-CG2 4.14Å; I130-A170 HydrophobicContact CG2-CB 3.77Å; I130-D175 HydrophobicContact CG1-CB 4.19Å; I130-D175 PolarHBondContact N-OD2 3.38Å; I130-A200 HydrophobicContact CG2-CB 4.17Å
131D97.6Very high95.7Very high5 Ų523.6 Ų23.63%0.02712%0.123CC..Hα-helixtrans-55.8-43.5172.764.8-68000112.3R40 Q129 S134 V135R40-D131 IonicContact CZ-OD2 3.92Å; R40-D131 IonicContact NH1-OD2 3.9Å; R40-D131 PolarHBondContact NH1-OD2 3.42Å; Q129-D131 VanDerWaalsContact C-N 3.27Å; Q129-D131 PolarHBondContact O-N 2.88Å; D131-S134 PolarHBondContact O-N 3.1Å; D131-V135 WeakPolarHBondContact O-CG1 3.47Å; D131-V135 PolarHBondContact O-N 3.39Å
132A97.6Very high95.8Very high1 Ų122.3 Ų22.31%0.00811%0.11CC..Hα-helixtrans-68.2-42.8-17600000112.3Q129 I130 S134 V135 F136Q129-A132 HydrophobicContact CB-CB 3.93Å; Q129-A132 PolarHBondContact O-N 3.5Å; I130-A132 VanDerWaalsContact C-N 3.32Å; I130-A132 PolarHBondContact O-N 3.36Å; A132-S134 VanDerWaalsContact C-N 3.33Å; A132-V135 WeakPolarHBondContact O-CG1 3.39Å; A132-F136 PolarHBondContact O-N 3Å
133I98.2Very high96Very high6 Ų619 Ų193%0.0319%0.092CC..Hα-helixtrans-64.8-43.7174.1-60.1167.9000109.4L107 I130 F136 L137 L163 I167L107-I133 HydrophobicContact CB-CD1 4.42Å; L107-I133 HydrophobicContact CD1-CD1 3.96Å; L107-I133 HydrophobicContact CD1-CG1 4.34Å; I130-I133 PolarHBondContact O-N 3.34Å; I133-F136 PolarHBondContact O-N 3.39Å; I133-L137 HydrophobicContact CG2-CD1 4.09Å; I133-L137 HydrophobicContact CG2-CG 4.45Å; I133-L137 WeakPolarHBondContact O-CG 3.26Å; I133-L137 PolarHBondContact O-N 2.9Å; I133-L163 HydrophobicContact CG2-CB 4.47Å; I133-L163 HydrophobicContact CG2-CD1 4.45Å; I133-I167 HydrophobicContact CB-CG2 4.22Å; I133-I167 HydrophobicContact CG2-CG2 3.81Å
134S98.6Very high96.3Very high0 Ų012.6 Ų12.60%06%0.059CC..Hα-helixtrans-67.5-42.7-175.4-58.30000112.3I130 D131 A132 F136 L137 L138 A200 A203I130-S134 WeakPolarHBondContact O-CB 3.17Å; I130-S134 PolarHBondContact O-N 3.37Å; I130-S134 PolarHBondContact O-OG 3.42Å; D131-S134 PolarHBondContact O-N 3.1Å; A132-S134 VanDerWaalsContact C-N 3.33Å; S134-F136 VanDerWaalsContact C-N 3.34Å; S134-F136 PolarHBondContact O-N 3.31Å; S134-L137 PolarHBondContact O-N 2.93Å; S134-L138 WeakPolarHBondContact O-CB 3.23Å; S134-L138 PolarHBondContact O-N 2.95Å; S134-A200 VanDerWaalsContact OG-CA 3.26Å; S134-A200 WeakPolarHBondContact OG-CA 3.3Å; S134-A200 WeakPolarHBondContact OG-CB 3.5Å; S134-A200 PolarHBondContact OG-N 3.22Å; S134-A203 VanDerWaalsContact O-CB 3.29Å; S134-A203 WeakPolarHBondContact O-CB 3.44Å
135V98.3Very high96.5Very high2 Ų28.2 Ų8.21%0.0125%0.046CC..Hα-helixtrans-65-39.3176.571.20000111T43 Y44 D131 A132 L137 L138 I139 M199 P261T43-V135 HydrophobicContact CG2-CG1 4.15Å; T43-V135 HydrophobicContact CG2-CG2 4.14Å; Y44-V135 HydrophobicContact CE2-CG2 4.15Å; D131-V135 WeakPolarHBondContact O-CG1 3.47Å; D131-V135 PolarHBondContact O-N 3.39Å; A132-V135 WeakPolarHBondContact O-CG1 3.39Å; V135-L137 PolarHBondContact O-N 3.22Å; V135-L138 PolarHBondContact O-N 2.58Å; V135-I139 HydrophobicContact CG2-CG1 4.23Å; V135-I139 WeakPolarHBondContact O-CB 3.46Å; V135-I139 VanDerWaalsContact O-CG1 3.28Å; V135-I139 WeakPolarHBondContact O-CG1 3.39Å; V135-I139 PolarHBondContact O-N 3.29Å; V135-M199 HydrophobicContact CB-CG 4.04Å; V135-M199 HydrophobicContact CB-SD 4.1Å; V135-M199 HydrophobicContact CG2-SD 4.25Å; V135-P261 HydrophobicContact CG2-CG 4.33Å
136F98.7Very high96.7Very high0 Ų05.1 Ų5.10%04%0.039CC..Hα-helixtrans-57.8-47.7173.5166.7-101.8000111.6M80 I83 L84 Y87 A132 I133 S134 I139 L140 I160M80-F136 HydrophobicContact CE-CD2 3.51Å; M80-F136 HydrophobicContact CE-CE2 3.63Å; M80-F136 HydrophobicContact SD-CD2 4.36Å; M80-F136 HydrophobicContact SD-CE2 4.47Å; I83-F136 HydrophobicContact CB-CD2 4.07Å; I83-F136 HydrophobicContact CB-CE2 3.87Å; I83-F136 HydrophobicContact CD1-CD2 4.17Å; I83-F136 HydrophobicContact CG2-CD2 3.54Å; I83-F136 HydrophobicContact CG2-CE2 3.68Å; I83-F136 HydrophobicContact CG2-CG 4.09Å; I83-F136 HydrophobicContact CG2-CZ 4.32Å; L84-F136 HydrophobicContact CB-CZ 4.18Å; L84-F136 HydrophobicContact CD1-CZ 4.47Å; Y87-F136 HydrophobicContact CD2-CD1 4.18Å; Y87-F136 HydrophobicContact CD2-CE1 4.23Å; Y87-F136 AromaticContact CE2-CD1 3.97Å; Y87-F136 HydrophobicContact CE2-CD1 3.97Å; Y87-F136 HydrophobicContact CE2-CE1 4.47Å; Y87-F136 HydrophobicContact CE2-CG 4.23Å; A132-F136 PolarHBondContact O-N 3Å; I133-F136 PolarHBondContact O-N 3.39Å; S134-F136 VanDerWaalsContact C-N 3.34Å; S134-F136 PolarHBondContact O-N 3.31Å; F136-I139 PolarHBondContact O-N 3.41Å; F136-L140 VanDerWaalsContact O-CB 3.27Å; F136-L140 WeakPolarHBondContact O-CB 3.43Å; F136-L140 PolarHBondContact O-N 3.05Å; F136-I160 HydrophobicContact CE1-CD1 4.15Å
137L98.8Very high96.8Very high0 Ų07.5 Ų7.50%06%0.063CC..Hα-helixtrans-65.4-40.4178.9-74.1-179.2000113I133 S134 V135 L140 A141 I160 L163 I167 A203 L207I133-L137 HydrophobicContact CG2-CD1 4.09Å; I133-L137 HydrophobicContact CG2-CG 4.45Å; I133-L137 WeakPolarHBondContact O-CG 3.26Å; I133-L137 PolarHBondContact O-N 2.9Å; S134-L137 PolarHBondContact O-N 2.93Å; V135-L137 PolarHBondContact O-N 3.22Å; L137-L140 HydrophobicContact CD2-CD2 4.41Å; L137-L140 WeakPolarHBondContact O-CB 3.36Å; L137-L140 PolarHBondContact O-N 2.58Å; L137-A141 WeakPolarHBondContact O-CB 3.32Å; L137-A141 PolarHBondContact O-N 3.06Å; L137-I160 HydrophobicContact CD2-CD1 3.95Å; L137-I160 HydrophobicContact CD2-CG2 3.9Å; L137-L163 HydrophobicContact CD1-CB 4.04Å; L137-L163 HydrophobicContact CD2-CB 4.44Å; L137-L163 HydrophobicContact CD2-CD1 4.23Å; L137-I167 HydrophobicContact CD1-CD1 3.67Å; L137-I167 HydrophobicContact CD1-CG1 4.23Å; L137-A203 HydrophobicContact CB-CB 4.04Å; L137-L207 HydrophobicContact CB-CD1 3.9Å; L137-L207 HydrophobicContact CD1-CD1 4.24Å; L137-L207 HydrophobicContact CD2-CD1 4.18Å; L137-L207 HydrophobicContact CG-CD1 4.33Å
138L98.6Very high96.7Very high0 Ų07.7 Ų7.70%06%0.064CC..Hα-helixtrans-62.9-45.9175.9175.859.5000111.6S134 V135 A141 Q142 M199 A202 A203 A206 P261S134-L138 WeakPolarHBondContact O-CB 3.23Å; S134-L138 PolarHBondContact O-N 2.95Å; V135-L138 PolarHBondContact O-N 2.58Å; L138-A141 WeakPolarHBondContact O-CB 3.48Å; L138-A141 PolarHBondContact O-N 3.4Å; L138-Q142 WeakPolarHBondContact O-CG 3.48Å; L138-Q142 PolarHBondContact O-N 2.97Å; L138-M199 HydrophobicContact CD2-SD 3.64Å; L138-A202 HydrophobicContact CD1-CB 4.3Å; L138-A202 HydrophobicContact CD2-CB 3.85Å; L138-A203 HydrophobicContact CB-CB 4.09Å; L138-A206 HydrophobicContact CD1-CB 3.53Å; L138-P261 HydrophobicContact CD2-CB 3.98Å; L138-P261 HydrophobicContact CD2-CG 4.24Å; L138-P261 WeakPolarHBondContact CD2-O 3.5Å
139I98.4Very high96.6Very high0 Ų015.3 Ų15.30%09%0.093CC..Hα-helixtrans-70.4-37.9179.6-62.9-34.7000111T43 L47 M80 V135 F136 A141 Q142 M143 P261T43-I139 HydrophobicContact CG2-CB 3.96Å; T43-I139 HydrophobicContact CG2-CG1 3.71Å; T43-I139 HydrophobicContact CG2-CG2 4.45Å; L47-I139 HydrophobicContact CD1-CD1 4.07Å; L47-I139 HydrophobicContact CD1-CG1 4.32Å; L47-I139 HydrophobicContact CD2-CB 4.44Å; L47-I139 HydrophobicContact CD2-CD1 3.71Å; L47-I139 HydrophobicContact CD2-CG1 3.88Å; L47-I139 HydrophobicContact CD2-CG2 3.67Å; L47-I139 HydrophobicContact CG-CD1 4.41Å; L47-I139 HydrophobicContact CG-CG1 4.39Å; M80-I139 HydrophobicContact CE-CB 4.22Å; M80-I139 HydrophobicContact CE-CG2 4Å; M80-I139 HydrophobicContact SD-CG2 4.48Å; V135-I139 HydrophobicContact CG2-CG1 4.23Å; V135-I139 WeakPolarHBondContact O-CB 3.46Å; V135-I139 VanDerWaalsContact O-CG1 3.28Å; V135-I139 WeakPolarHBondContact O-CG1 3.39Å; V135-I139 PolarHBondContact O-N 3.29Å; F136-I139 PolarHBondContact O-N 3.41Å; I139-A141 VanDerWaalsContact C-N 3.27Å; I139-A141 PolarHBondContact O-N 2.98Å; I139-Q142 PolarHBondContact O-N 3.29Å; I139-M143 HydrophobicContact CG2-CE 3.45Å; I139-M143 VanDerWaalsContact CG2-CE 3.45Å; I139-M143 HydrophobicContact CG2-CG 4.13Å; I139-M143 HydrophobicContact CG2-SD 3.74Å; I139-M143 WeakPolarHBondContact O-CB 3.42Å; I139-M143 VanDerWaalsContact O-CG 3.31Å; I139-M143 WeakPolarHBondContact O-CG 3.48Å; I139-M143 PolarHBondContact O-N 3.35Å; I139-P261 HydrophobicContact CD1-CB 3.77Å; I139-P261 HydrophobicContact CD1-CG 4.32Å
140L98.4Very high96.6Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-54.3-45.8170.417666000111.2M80 F136 L137 T144 I150 I151 I160 L212M80-L140 HydrophobicContact CE-CB 4.45Å; F136-L140 VanDerWaalsContact O-CB 3.27Å; F136-L140 WeakPolarHBondContact O-CB 3.43Å; F136-L140 PolarHBondContact O-N 3.05Å; L137-L140 HydrophobicContact CD2-CD2 4.41Å; L137-L140 WeakPolarHBondContact O-CB 3.36Å; L137-L140 PolarHBondContact O-N 2.58Å; L140-T144 VanDerWaalsContact O-CB 3.31Å; L140-T144 WeakPolarHBondContact O-CB 3.19Å; L140-T144 PolarHBondContact O-N 3.43Å; L140-T144 PolarHBondContact O-OG1 3.31Å; L140-I150 HydrophobicContact CD1-CB 3.74Å; L140-I150 HydrophobicContact CD1-CD1 3.89Å; L140-I150 HydrophobicContact CD1-CG1 4.41Å; L140-I150 HydrophobicContact CD1-CG2 3.63Å; L140-I151 HydrophobicContact CD1-CD1 4.07Å; L140-I151 HydrophobicContact CD1-CG1 4.05Å; L140-I151 HydrophobicContact CD2-CD1 4.14Å; L140-I151 HydrophobicContact CD2-CG1 4.37Å; L140-I160 HydrophobicContact CD2-CD1 3.73Å; L140-I160 HydrophobicContact CD2-CG1 4.11Å; L140-I160 HydrophobicContact CD2-CG2 4.43Å; L140-L212 HydrophobicContact CD2-CD2 4.39Å
141A97.6Very high96.6Very high0 Ų015.2 Ų15.20%09%0.092CC..Hα-helixtrans-62.8-50178.700000112.3L137 L138 I139 M143 T144 A145 A206 L207 L210 L447L137-A141 WeakPolarHBondContact O-CB 3.32Å; L137-A141 PolarHBondContact O-N 3.06Å; L138-A141 WeakPolarHBondContact O-CB 3.48Å; L138-A141 PolarHBondContact O-N 3.4Å; I139-A141 VanDerWaalsContact C-N 3.27Å; I139-A141 PolarHBondContact O-N 2.98Å; A141-M143 PolarHBondContact O-N 3.41Å; A141-T144 PolarHBondContact O-N 2.98Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 2.9Å; A141-A206 HydrophobicContact CB-CB 3.76Å; A141-L207 HydrophobicContact CB-CD2 3.88Å; A141-L207 HydrophobicContact CB-CG 4.16Å; A141-L210 VanDerWaalsContact CA-CD2 3.49Å; A141-L210 HydrophobicContact CB-CD2 3.61Å; A141-L447 HydrophobicContact CB-CD1 4.14Å
142Q96.4Very high96.5Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-60.6-44.4178.9-67.5-77.416.800111.9W50 L138 I139 A145 A146 D445 P446 L447W50-Q142 HydrophobicContact CH2-CB 4.09Å; W50-Q142 HydrophobicContact CZ3-CB 4.26Å; L138-Q142 WeakPolarHBondContact O-CG 3.48Å; L138-Q142 PolarHBondContact O-N 2.97Å; I139-Q142 PolarHBondContact O-N 3.29Å; Q142-A145 PolarHBondContact O-N 3.01Å; Q142-A146 PolarHBondContact O-N 3.12Å; Q142-D445 PolarHBondContact NE2-OD1 2.99Å; Q142-P446 HydrophobicContact CB-CG 4.4Å; Q142-P446 VanDerWaalsContact O-CG 3.23Å; Q142-P446 WeakPolarHBondContact O-CG 3.17Å; Q142-P446 VanDerWaalsContact OE1-CG 3.26Å; Q142-L447 HydrophobicContact CG-CD1 4.28Å; Q142-L447 VanDerWaalsContact OE1-N 3.14Å
143M96.9Very high96.4Very high0 Ų024.6 Ų24.60%013%0.133CC..Hα-helixtrans-67.2-39.5179.2-72.7179.4174.500112.4S46 L47 W50 V76 M80 I139 A141 A146 G147 L148 I150S46-M143 WeakPolarHBondContact OG-CE 3.49Å; L47-M143 HydrophobicContact CD2-CE 4.32Å; W50-M143 HydrophobicContact CB-CE 3.79Å; W50-M143 HydrophobicContact CD2-CE 3.91Å; W50-M143 HydrophobicContact CD2-CG 3.93Å; W50-M143 HydrophobicContact CE3-CE 3.78Å; W50-M143 HydrophobicContact CE3-CG 3.94Å; W50-M143 HydrophobicContact CG-CE 3.94Å; W50-M143 HydrophobicContact CH2-CG 4.35Å; W50-M143 HydrophobicContact CZ2-CG 4.34Å; W50-M143 HydrophobicContact CZ3-CG 4.14Å; V76-M143 HydrophobicContact CG1-CE 3.39Å; V76-M143 HydrophobicContact CG1-SD 3.44Å; V76-M143 WeakPolarHBondContact CG1-SD 3.12Å; M80-M143 HydrophobicContact CG-SD 3.92Å; I139-M143 HydrophobicContact CG2-CE 3.45Å; I139-M143 VanDerWaalsContact CG2-CE 3.45Å; I139-M143 HydrophobicContact CG2-CG 4.13Å; I139-M143 HydrophobicContact CG2-SD 3.74Å; I139-M143 WeakPolarHBondContact O-CB 3.42Å; I139-M143 VanDerWaalsContact O-CG 3.31Å; I139-M143 WeakPolarHBondContact O-CG 3.48Å; I139-M143 PolarHBondContact O-N 3.35Å; A141-M143 PolarHBondContact O-N 3.41Å; M143-A146 PolarHBondContact O-N 3.5Å; M143-G147 PolarHBondContact O-N 3.21Å; M143-L148 HydrophobicContact CB-CB 4.21Å; M143-L148 HydrophobicContact CB-CD2 4.29Å; M143-L148 HydrophobicContact CG-CD2 4.38Å; M143-L148 WeakPolarHBondContact O-CB 3.37Å; M143-L148 PolarHBondContact O-N 3.43Å; M143-L148 HydrophobicContact SD-CD2 4.43Å; M143-I150 HydrophobicContact CB-CD1 3.76Å; M143-I150 HydrophobicContact CG-CD1 4.46Å; M143-I150 HydrophobicContact SD-CD1 3.85Å
144T95.7Very high96.2Very high6 Ų628.2 Ų28.24%0.03715%0.153CC..Hα-helixtrans-63.4-44.8175.7-56.90000110.5L140 A141 A146 G147 D211L140-T144 VanDerWaalsContact O-CB 3.31Å; L140-T144 WeakPolarHBondContact O-CB 3.19Å; L140-T144 PolarHBondContact O-N 3.43Å; L140-T144 PolarHBondContact O-OG1 3.31Å; A141-T144 PolarHBondContact O-N 2.98Å; T144-A146 PolarHBondContact O-N 2.73Å; T144-G147 PolarHBondContact O-N 3.2Å; T144-D211 VanDerWaalsContact CG2-O 3.31Å; T144-D211 WeakPolarHBondContact CG2-O 3.44Å
145A93.4Very high96.1Very high45 Ų4530.8 Ų30.837%0.37216%0.164SC..Hα-helixtrans-61.6-30.4175.900000112.9A141 Q142 G147 P446 L447A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 2.9Å; Q142-A145 PolarHBondContact O-N 3.01Å; A145-G147 VanDerWaalsContact C-N 3.29Å; A145-G147 PolarHBondContact O-N 3.28Å; A145-P446 HydrophobicContact CB-CB 4.44Å; A145-P446 HydrophobicContact CB-CG 4.31Å; A145-L447 HydrophobicContact CB-CD2 3.59Å; A145-L447 HydrophobicContact CB-CG 3.88Å
146A92.5Very high96Very high22 Ų2231.2 Ų31.218%0.18217%0.166CC..THydrogen-bonded Turntrans-81-1.1173.600000115W50 Q142 M143 T144 L148 P446W50-A146 HydrophobicContact CH2-CB 4.41Å; W50-A146 HydrophobicContact CZ2-CB 3.51Å; Q142-A146 PolarHBondContact O-N 3.12Å; M143-A146 PolarHBondContact O-N 3.5Å; T144-A146 PolarHBondContact O-N 2.73Å; A146-L148 HydrophobicContact CB-CD1 4.28Å; A146-P446 HydrophobicContact CB-CB 4.43Å; A146-P446 HydrophobicContact CB-CG 4.13Å
147G92.3Very high95.9Very high58 Ų5831.6 Ų31.660%0.59817%0.169SC*.THydrogen-bonded Turntrans100.26.9175.500000116M143 T144 A145M143-G147 PolarHBondContact O-N 3.21Å; T144-G147 PolarHBondContact O-N 3.2Å; A145-G147 VanDerWaalsContact C-N 3.29Å; A145-G147 PolarHBondContact O-N 3.28Å
148L94Very high95.8Very high8 Ų832.2 Ų32.24%0.04217%0.174CC..  trans-79124.7177-75.775.3000110.6V76 V77 M143 A146 I150V76-L148 HydrophobicContact CB-CD2 4.37Å; V76-L148 HydrophobicContact CG1-CD2 3.81Å; V77-L148 HydrophobicContact CG2-CB 4.48Å; V77-L148 HydrophobicContact CG2-CD2 4.25Å; M143-L148 HydrophobicContact CB-CB 4.21Å; M143-L148 HydrophobicContact CB-CD2 4.29Å; M143-L148 HydrophobicContact CG-CD2 4.38Å; M143-L148 WeakPolarHBondContact O-CB 3.37Å; M143-L148 PolarHBondContact O-N 3.43Å; M143-L148 HydrophobicContact SD-CD2 4.43Å; A146-L148 HydrophobicContact CB-CD1 4.28Å; L148-I150 HydrophobicContact CB-CG1 4.41Å; L148-I150 PolarHBondContact O-N 2.94Å
149R93.4Very high95.8Very high162 Ų16232.2 Ų32.261%0.61117%0.174SC*.  trans-87.386.7176.8-64.3-172.3-176.3164.13.8111.9W152 D216R149-W152 PolarHBondContact O-NE1 3.47Å; R149-D216 IonicContact CZ-OD2 2.72Å; R149-D216 IonicContact NE-OD2 3.2Å; R149-D216 IonicContact NH2-OD2 2.91Å; R149-D216 PolarHBondContact NH2-OD2 3.45Å
150I96.4Very high95.8Very high0 Ų032.2 Ų32.20%017%0.174CC..  trans-89.4-41.5178.8-61.9168.6000111.5V77 M80 R81 L140 M143 L148V77-I150 HydrophobicContact CG2-CG1 4.36Å; M80-I150 HydrophobicContact CB-CD1 4.03Å; M80-I150 HydrophobicContact CB-CG1 4.48Å; M80-I150 HydrophobicContact CB-CG2 4Å; M80-I150 HydrophobicContact CG-CD1 4.18Å; R81-I150 WeakPolarHBondContact CD-O 3.46Å; R81-I150 HydrophobicContact CG-CG2 3.99Å; R81-I150 WeakPolarHBondContact CG-O 3.37Å; R81-I150 PolarHBondContact NH1-O 2.83Å; L140-I150 HydrophobicContact CD1-CB 3.74Å; L140-I150 HydrophobicContact CD1-CD1 3.89Å; L140-I150 HydrophobicContact CD1-CG1 4.41Å; L140-I150 HydrophobicContact CD1-CG2 3.63Å; M143-I150 HydrophobicContact CB-CD1 3.76Å; M143-I150 HydrophobicContact CG-CD1 4.46Å; M143-I150 HydrophobicContact SD-CD1 3.85Å; L148-I150 HydrophobicContact CB-CG1 4.41Å; L148-I150 PolarHBondContact O-N 2.94Å
151I97.4Very high95.7Very high4 Ų432.5 Ų32.52%0.02118%0.175CC..  trans-93.7135.1179.9-52.7-58.7000109.7L84 L140 E156 V157 I160 L212 F213L84-I151 HydrophobicContact CD1-CD1 4.49Å; L84-I151 HydrophobicContact CD2-CD1 3.59Å; L140-I151 HydrophobicContact CD1-CD1 4.07Å; L140-I151 HydrophobicContact CD1-CG1 4.05Å; L140-I151 HydrophobicContact CD2-CD1 4.14Å; L140-I151 HydrophobicContact CD2-CG1 4.37Å; I151-E156 WeakPolarHBondContact CA-OE2 3.34Å; I151-E156 HydrophobicContact CG2-CB 3.69Å; I151-V157 HydrophobicContact CG2-CG2 3.89Å; I151-I160 HydrophobicContact CD1-CD1 4.47Å; I151-I160 HydrophobicContact CD1-CG1 4.12Å; I151-L212 HydrophobicContact CB-CB 4.1Å; I151-L212 HydrophobicContact CG1-CB 4.13Å; I151-L212 HydrophobicContact CG1-CD1 4.22Å; I151-L212 HydrophobicContact CG1-CD2 4.42Å; I151-L212 HydrophobicContact CG1-CG 4.5Å; I151-L212 HydrophobicContact CG2-CB 4.22Å; I151-L212 HydrophobicContact CG2-CD1 4.45Å; I151-F213 HydrophobicContact CG2-CE1 4.02Å
152W94.6Very high95.7Very high149 Ų14932.5 Ų32.556%0.56418%0.175SC*.  trans-122.6-26.1-170.9-61.3-17.3000114.3R81 R149 E156R81-W152 VanDerWaalsContact NH1-CD2 3.27Å; R81-W152 VanDerWaalsContact NH2-CZ3 3.31Å; R149-W152 PolarHBondContact O-NE1 3.47Å; W152-E156 PolarHBondContact N-OE2 3.2Å
153T95.9Very high95.7Very high54 Ų5432.5 Ų32.533%0.33118%0.175SC..SBendtrans-130.8157.5-17588.60000112.6E155 E156 V157T153-E155 WeakPolarHBondContact CB-OE2 3.4Å; T153-E155 PolarHBondContact O-N 3.09Å; T153-E155 PolarHBondContact OG1-N 3.41Å; T153-E155 PolarHBondContact OG1-OE2 3.45Å; T153-E156 WeakPolarHBondContact O-CB 3.48Å; T153-E156 PolarHBondContact O-N 3.01Å; T153-E156 VanDerWaalsContact O-N 3.12Å; T153-E156 PolarHBondContact OG1-N 2.73Å; T153-V157 WeakPolarHBondContact O-CG2 3.43Å; T153-V157 PolarHBondContact O-N 3.14Å; T153-V157 VanDerWaalsContact O-N 3.1Å
154L93.2Very high95.7Very high83 Ų8332.5 Ų32.544%0.43518%0.175SC..Hα-helixtrans-66.2-26.2177.1-68.4176.8000112.3E156 V157 A158 F213 L220L154-E156 VanDerWaalsContact C-N 3.34Å; L154-V157 PolarHBondContact O-N 2.86Å; L154-A158 WeakPolarHBondContact O-CB 3.26Å; L154-A158 PolarHBondContact O-N 3.22Å; L154-F213 HydrophobicContact CD2-CE2 3.95Å; L154-F213 HydrophobicContact CD2-CZ 4.26Å; L154-L220 HydrophobicContact CD1-CD1 4.45Å; L154-L220 HydrophobicContact CD2-CB 3.93Å
155E96.3Very high95.7Very high53 Ų5332.4 Ų32.425%0.24817%0.174CC..Hα-helixtrans-65.7-38.7171.5-60.881.7179.800111.7T153 A158 F159 K515 L516T153-E155 WeakPolarHBondContact CB-OE2 3.4Å; T153-E155 PolarHBondContact O-N 3.09Å; T153-E155 PolarHBondContact OG1-N 3.41Å; T153-E155 PolarHBondContact OG1-OE2 3.45Å; E155-A158 PolarHBondContact O-N 3.39Å; E155-F159 WeakPolarHBondContact O-CB 3.46Å; E155-F159 PolarHBondContact O-N 3.29Å; E155-K515 HydrophobicContact CG-CD 4.02Å; E155-K515 IonicContact OE1-NZ 3.79Å; E155-K515 PolarHBondContact OE1-NZ 2.85Å; E155-L516 HydrophobicContact CB-CD1 4.34Å; E155-L516 WeakPolarHBondContact O-CD1 3.47Å
156E97.9Very high95.7Very high12 Ų1230.5 Ų30.56%0.05616%0.158CC..Hα-helixtrans-65.9-41.5173.8-63.9-178.6163.800110.5R81 L84 M88 I151 W152 T153 L154 A158 F159 I160R81-E156 IonicContact CZ-OE1 3.81Å; R81-E156 IonicContact NH1-OE1 2.66Å; R81-E156 PolarHBondContact NH1-OE1 2.99Å; R81-E156 IonicContact NH1-OE2 2.69Å; R81-E156 PolarHBondContact NH1-OE2 2.79Å; R81-E156 VanDerWaalsContact NH1-OE2 3.1Å; R81-E156 IonicContact NH2-OE1 3.35Å; R81-E156 PolarHBondContact NH2-OE1 3.26Å; L84-E156 HydrophobicContact CD2-CB 4.46Å; L84-E156 HydrophobicContact CD2-CG 4.28Å; M88-E156 HydrophobicContact CE-CG 3.85Å; M88-E156 HydrophobicContact SD-CB 4.48Å; M88-E156 HydrophobicContact SD-CG 3.74Å; I151-E156 WeakPolarHBondContact CA-OE2 3.34Å; I151-E156 HydrophobicContact CG2-CB 3.69Å; W152-E156 PolarHBondContact N-OE2 3.2Å; T153-E156 WeakPolarHBondContact O-CB 3.48Å; T153-E156 PolarHBondContact O-N 3.01Å; T153-E156 VanDerWaalsContact O-N 3.12Å; T153-E156 PolarHBondContact OG1-N 2.73Å; L154-E156 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 2.74Å; E156-F159 WeakPolarHBondContact O-CB 3.49Å; E156-F159 PolarHBondContact O-N 3.19Å; E156-I160 WeakPolarHBondContact O-CG1 3.45Å; E156-I160 PolarHBondContact O-N 3.32Å
157V96.6Very high95.9Very high7 Ų729.4 Ų29.44%0.04215%0.149CC..Hα-helixtrans-58.7-48.8173.11790000110.8I151 T153 L154 F159 I160 Q161 L212 F213 I223I151-V157 HydrophobicContact CG2-CG2 3.89Å; T153-V157 WeakPolarHBondContact O-CG2 3.43Å; T153-V157 PolarHBondContact O-N 3.14Å; T153-V157 VanDerWaalsContact O-N 3.1Å; L154-V157 PolarHBondContact O-N 2.86Å; V157-F159 VanDerWaalsContact C-N 3.27Å; V157-F159 PolarHBondContact O-N 3.4Å; V157-I160 PolarHBondContact O-N 2.88Å; V157-Q161 WeakPolarHBondContact O-CB 3.18Å; V157-Q161 PolarHBondContact O-N 2.97Å; V157-L212 HydrophobicContact CB-CD1 4.42Å; V157-L212 HydrophobicContact CG1-CD1 4.24Å; V157-L212 HydrophobicContact CG2-CB 4.32Å; V157-L212 HydrophobicContact CG2-CD1 4.24Å; V157-F213 HydrophobicContact CG2-CE1 4.16Å; V157-F213 HydrophobicContact CG2-CZ 4.06Å; V157-I223 HydrophobicContact CG1-CD1 4.03Å
158A95.7Very high95.9Very high14 Ų1426.7 Ų26.712%0.11612%0.121CC..Hα-helixtrans-60-39.717800000111.3L154 E155 E156 Q161 N162 C513L154-A158 WeakPolarHBondContact O-CB 3.26Å; L154-A158 PolarHBondContact O-N 3.22Å; E155-A158 PolarHBondContact O-N 3.39Å; E156-A158 PolarHBondContact O-N 2.74Å; A158-Q161 PolarHBondContact O-N 3.47Å; A158-N162 PolarHBondContact O-N 3.06Å; A158-N162 VanDerWaalsContact O-N 3.08Å; A158-N162 PolarHBondContact O-ND2 3.43Å; A158-C513 HydrophobicContact CB-CB 3.76Å
159F98.3Very high95.7Very high0 Ų026.6 Ų26.60%012%0.121CC..Hα-helixtrans-61.3-48.5174.7-176.3-99000112.2L84 Y87 M88 V94 E155 E156 V157 Q161 N162 L163 L516 L518L84-F159 HydrophobicContact CD1-CD1 4.03Å; L84-F159 HydrophobicContact CD1-CE1 4.37Å; Y87-F159 WeakPolarHBondContact O-CZ 3.45Å; M88-F159 HydrophobicContact CE-CB 4.48Å; M88-F159 HydrophobicContact CG-CB 4.27Å; M88-F159 HydrophobicContact CG-CD1 3.56Å; M88-F159 HydrophobicContact CG-CD2 4.07Å; M88-F159 HydrophobicContact CG-CE1 3.87Å; M88-F159 HydrophobicContact CG-CE2 4.37Å; M88-F159 HydrophobicContact CG-CG 3.68Å; M88-F159 HydrophobicContact CG-CZ 4.29Å; V94-F159 HydrophobicContact CG2-CE2 3.82Å; V94-F159 HydrophobicContact CG2-CZ 4.01Å; E155-F159 WeakPolarHBondContact O-CB 3.46Å; E155-F159 PolarHBondContact O-N 3.29Å; E156-F159 WeakPolarHBondContact O-CB 3.49Å; E156-F159 PolarHBondContact O-N 3.19Å; V157-F159 VanDerWaalsContact C-N 3.27Å; V157-F159 PolarHBondContact O-N 3.4Å; F159-Q161 VanDerWaalsContact C-N 3.32Å; F159-Q161 PolarHBondContact O-N 3.25Å; F159-N162 PolarHBondContact O-N 3.38Å; F159-L163 HydrophobicContact CD1-CD1 4.25Å; F159-L163 HydrophobicContact CD1-CG 4.35Å; F159-L163 HydrophobicContact CE1-CD1 3.68Å; F159-L163 HydrophobicContact CE1-CD2 4.16Å; F159-L163 HydrophobicContact CE1-CG 3.91Å; F159-L163 HydrophobicContact CZ-CD1 4.34Å; F159-L163 HydrophobicContact CZ-CD2 4Å; F159-L163 HydrophobicContact CZ-CG 4.23Å; F159-L163 PolarHBondContact O-N 3.38Å; F159-L516 HydrophobicContact CB-CD1 3.96Å; F159-L516 HydrophobicContact CD2-CD1 4.34Å; F159-L518 HydrophobicContact CD2-CD1 4.11Å
160I98.4Very high95.7Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-59.4-43.1175.9-64.5-58.8000111.2L84 F136 L137 L140 I151 E156 V157 N162 L163 V164 L212 I223L84-I160 HydrophobicContact CD1-CD1 3.89Å; F136-I160 HydrophobicContact CE1-CD1 4.15Å; L137-I160 HydrophobicContact CD2-CD1 3.95Å; L137-I160 HydrophobicContact CD2-CG2 3.9Å; L140-I160 HydrophobicContact CD2-CD1 3.73Å; L140-I160 HydrophobicContact CD2-CG1 4.11Å; L140-I160 HydrophobicContact CD2-CG2 4.43Å; I151-I160 HydrophobicContact CD1-CD1 4.47Å; I151-I160 HydrophobicContact CD1-CG1 4.12Å; E156-I160 WeakPolarHBondContact O-CG1 3.45Å; E156-I160 PolarHBondContact O-N 3.32Å; V157-I160 PolarHBondContact O-N 2.88Å; I160-N162 PolarHBondContact O-N 2.81Å; I160-L163 HydrophobicContact CD1-CD1 4.28Å; I160-L163 WeakPolarHBondContact O-CB 3.5Å; I160-L163 PolarHBondContact O-N 2.93Å; I160-L163 VanDerWaalsContact O-N 3.07Å; I160-V164 PolarHBondContact O-N 2.9Å; I160-L212 HydrophobicContact CB-CD1 3.94Å; I160-L212 HydrophobicContact CG1-CD1 4.12Å; I160-L212 HydrophobicContact CG2-CD1 3.88Å; I160-I223 HydrophobicContact CB-CD1 4.22Å; I160-I223 HydrophobicContact CG2-CD1 3.88Å; I160-I223 HydrophobicContact CG2-CG1 4.19Å
161Q96.5Very high95.5Very high6 Ų619.7 Ų19.73%0.02810%0.095CC..Hα-helixtrans-59.1-32176.2-174.860.674.300112.4V157 A158 F159 V164 F165 I223 R224 L510V157-Q161 WeakPolarHBondContact O-CB 3.18Å; V157-Q161 PolarHBondContact O-N 2.97Å; A158-Q161 PolarHBondContact O-N 3.47Å; F159-Q161 VanDerWaalsContact C-N 3.32Å; F159-Q161 PolarHBondContact O-N 3.25Å; Q161-V164 WeakPolarHBondContact O-CB 3.14Å; Q161-F165 HydrophobicContact CG-CE2 4.1Å; Q161-F165 HydrophobicContact CG-CZ 3.86Å; Q161-F165 WeakPolarHBondContact O-CD2 3.29Å; Q161-F165 WeakPolarHBondContact O-CE2 3.34Å; Q161-F165 PolarHBondContact O-N 2.94Å; Q161-I223 HydrophobicContact CB-CD1 3.93Å; Q161-R224 PolarHBondContact NE2-O 2.97Å; Q161-L510 HydrophobicContact CG-CD1 4.23Å; Q161-L510 HydrophobicContact CG-CD2 4.46Å; Q161-L510 HydrophobicContact CG-CG 3.86Å
162N97Very high95.1Very high0 Ų022.5 Ų22.50%011%0.105CC..Hα-helixtrans-77.6-33.6174.5-77.9-92000113.2V94 K98 A158 F159 I160 V164 F165 C166 G511 L518V94-N162 HydrophobicContact CG1-CB 3.84Å; K98-N162 WeakPolarHBondContact CE-OD1 3.22Å; K98-N162 PolarHBondContact NZ-OD1 2.92Å; A158-N162 PolarHBondContact O-N 3.06Å; A158-N162 VanDerWaalsContact O-N 3.08Å; A158-N162 PolarHBondContact O-ND2 3.43Å; F159-N162 PolarHBondContact O-N 3.38Å; I160-N162 PolarHBondContact O-N 2.81Å; N162-V164 PolarHBondContact O-N 2.88Å; N162-F165 PolarHBondContact O-N 2.79Å; N162-F165 VanDerWaalsContact O-N 3.17Å; N162-C166 PolarHBondContact O-N 3.5Å; N162-G511 PolarHBondContact ND2-O 2.9Å; N162-L518 HydrophobicContact CB-CD1 4.21Å; N162-L518 HydrophobicContact CB-CD2 4.45Å
163L97.6Very high94.9Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-61.8-36.9170.9-65.2-173.7000111.4Y87 V94 L107 I133 L137 F159 I160 F165 C166 I167Y87-L163 HydrophobicContact CD2-CD1 4.36Å; V94-L163 HydrophobicContact CG1-CD2 4.28Å; V94-L163 HydrophobicContact CG2-CD2 3.82Å; L107-L163 HydrophobicContact CD1-CD2 3.57Å; I133-L163 HydrophobicContact CG2-CB 4.47Å; I133-L163 HydrophobicContact CG2-CD1 4.45Å; L137-L163 HydrophobicContact CD1-CB 4.04Å; L137-L163 HydrophobicContact CD2-CB 4.44Å; L137-L163 HydrophobicContact CD2-CD1 4.23Å; F159-L163 HydrophobicContact CD1-CD1 4.25Å; F159-L163 HydrophobicContact CD1-CG 4.35Å; F159-L163 HydrophobicContact CE1-CD1 3.68Å; F159-L163 HydrophobicContact CE1-CD2 4.16Å; F159-L163 HydrophobicContact CE1-CG 3.91Å; F159-L163 HydrophobicContact CZ-CD1 4.34Å; F159-L163 HydrophobicContact CZ-CD2 4Å; F159-L163 HydrophobicContact CZ-CG 4.23Å; F159-L163 PolarHBondContact O-N 3.38Å; I160-L163 HydrophobicContact CD1-CD1 4.28Å; I160-L163 WeakPolarHBondContact O-CB 3.5Å; I160-L163 PolarHBondContact O-N 2.93Å; I160-L163 VanDerWaalsContact O-N 3.07Å; L163-F165 VanDerWaalsContact C-N 3.31Å; L163-F165 PolarHBondContact O-N 3.12Å; L163-C166 WeakPolarHBondContact O-CB 3.34Å; L163-C166 PolarHBondContact O-N 3.18Å; L163-I167 PolarHBondContact O-N 2.92Å; L163-I167 VanDerWaalsContact O-N 3.1Å
164V97.3Very high94.8Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-56.7-43.9172.4167.40000111.4I160 Q161 N162 C166 I167 E168 L204 L207 I223 V225I160-V164 PolarHBondContact O-N 2.9Å; Q161-V164 WeakPolarHBondContact O-CB 3.14Å; N162-V164 PolarHBondContact O-N 2.88Å; V164-C166 PolarHBondContact O-N 3.49Å; V164-I167 PolarHBondContact O-N 3.43Å; V164-E168 WeakPolarHBondContact O-CB 3.36Å; V164-E168 PolarHBondContact O-N 2.94Å; V164-L204 HydrophobicContact CG1-CD2 3.85Å; V164-L207 HydrophobicContact CG2-CD1 3.74Å; V164-I223 HydrophobicContact CG2-CG2 3.86Å; V164-V225 HydrophobicContact CG1-CG2 3.94Å
165F94.8Very high94.9Very high3 Ų312 Ų121%0.0136%0.062CC..Hα-helixtrans-66.4-24.5176.5-55.5-39.7000113.8K98 Q161 N162 L163 H169 L510 R521K98-F165 HydrophobicContact CD-CB 3.91Å; K98-F165 HydrophobicContact CD-CD2 4.21Å; K98-F165 HydrophobicContact CG-CB 4.29Å; Q161-F165 HydrophobicContact CG-CE2 4.1Å; Q161-F165 HydrophobicContact CG-CZ 3.86Å; Q161-F165 WeakPolarHBondContact O-CD2 3.29Å; Q161-F165 WeakPolarHBondContact O-CE2 3.34Å; Q161-F165 PolarHBondContact O-N 2.94Å; N162-F165 PolarHBondContact O-N 2.79Å; N162-F165 VanDerWaalsContact O-N 3.17Å; L163-F165 VanDerWaalsContact C-N 3.31Å; L163-F165 PolarHBondContact O-N 3.12Å; F165-H169 PolarHBondContact O-ND1 3.28Å; F165-L510 HydrophobicContact CE1-CD2 4.08Å; F165-L510 VanDerWaalsContact CE2-O 3.28Å; F165-L510 WeakPolarHBondContact CE2-O 3.36Å; F165-L510 HydrophobicContact CZ-CB 4.19Å; F165-L510 HydrophobicContact CZ-CD2 3.8Å; F165-L510 HydrophobicContact CZ-CG 3.9Å; F165-L510 WeakPolarHBondContact CZ-O 3.32Å; F165-R521 HydrophobicContact CD1-CG 4.16Å; F165-R521 HydrophobicContact CD2-CB 4.44Å; F165-R521 HydrophobicContact CE1-CB 4.04Å; F165-R521 HydrophobicContact CE1-CG 3.96Å; F165-R521 HydrophobicContact CE2-CB 3.97Å; F165-R521 HydrophobicContact CZ-CB 3.74Å; F165-R521 HydrophobicContact CZ-CG 4.2Å
166C93.8Very high94.9Very high5 Ų511.5 Ų11.53%0.0346%0.058CC..Hα-helixtrans-72.6-44.2172.9-65.20000111.3L97 N162 L163 V164L97-C166 HydrophobicContact CD2-CB 4.24Å; N162-C166 PolarHBondContact O-N 3.5Å; L163-C166 WeakPolarHBondContact O-CB 3.34Å; L163-C166 PolarHBondContact O-N 3.18Å; V164-C166 PolarHBondContact O-N 3.49Å
167I95.9Very high94.6Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-86.2-17.9-175.167.2156.4000114.1I130 I133 L137 L163 V164 H169 A170 A200 A203 L204I130-I167 HydrophobicContact CG2-CB 4.41Å; I130-I167 HydrophobicContact CG2-CG2 4.14Å; I133-I167 HydrophobicContact CB-CG2 4.22Å; I133-I167 HydrophobicContact CG2-CG2 3.81Å; L137-I167 HydrophobicContact CD1-CD1 3.67Å; L137-I167 HydrophobicContact CD1-CG1 4.23Å; L163-I167 PolarHBondContact O-N 2.92Å; L163-I167 VanDerWaalsContact O-N 3.1Å; V164-I167 PolarHBondContact O-N 3.43Å; I167-H169 PolarHBondContact O-N 3.3Å; I167-H169 VanDerWaalsContact O-N 3.12Å; I167-A170 VanDerWaalsContact O-CB 3.24Å; I167-A170 WeakPolarHBondContact O-CB 3.24Å; I167-A170 PolarHBondContact O-N 3.4Å; I167-A200 HydrophobicContact CB-CB 4.25Å; I167-A203 HydrophobicContact CD1-CB 3.87Å; I167-L204 HydrophobicContact CD1-CD2 3.99Å; I167-L204 HydrophobicContact CD1-CG 4.01Å; I167-L204 HydrophobicContact CG1-CD2 3.99Å; I167-L204 HydrophobicContact CG1-CG 4.35Å
168E93.2Very high94.6Very high1 Ų111 Ų111%0.0056%0.056CC..THydrogen-bonded Turntrans-57.4-29.1176.977.3-175161.500112.3V164 Y171 L204 E229 R521V164-E168 WeakPolarHBondContact O-CB 3.36Å; V164-E168 PolarHBondContact O-N 2.94Å; E168-Y171 WeakPolarHBondContact O-CE1 3.43Å; E168-L204 HydrophobicContact CB-CD2 4.36Å; E168-E229 HydrophobicContact CB-CB 3.91Å; E168-E229 HydrophobicContact CB-CG 4.18Å; E168-E229 HydrophobicContact CG-CB 4.4Å; E168-E229 HydrophobicContact CG-CG 4.14Å; E168-R521 IonicContact OE2-NH2 3.93Å
169H89.8Confident94.5Very high6 Ų611.7 Ų11.73%0.0286%0.055CC..THydrogen-bonded Turntrans-95.615.7-179.7-58.2117.9000113.6F165 I167 Y171 R172 I173 E229F165-H169 PolarHBondContact O-ND1 3.28Å; I167-H169 PolarHBondContact O-N 3.3Å; I167-H169 VanDerWaalsContact O-N 3.12Å; H169-Y171 PolarHBondContact O-N 3.1Å; H169-Y171 VanDerWaalsContact O-N 3.09Å; H169-R172 HydrophobicContact CB-CG 4.02Å; H169-R172 PolarHBondContact CD2-NH2 2.95Å; H169-R172 PolarHBondContact CE1-NH2 3.19Å; H169-R172 PolarHBondContact NE2-NH2 3.14Å; H169-R172 WeakPolarHBondContact O-CG 3.27Å; H169-R172 PolarHBondContact O-N 2.72Å; H169-I173 HydrophobicContact CB-CD1 3.95Å; H169-I173 HydrophobicContact CB-CG1 4.48Å; H169-I173 WeakPolarHBondContact O-CG1 3.31Å; H169-I173 PolarHBondContact O-N 2.97Å; H169-E229 IonicContact CD2-OE2 3Å
170A93.8Very high94.1Very high2 Ų212.8 Ų12.82%0.0176%0.061CC..G310 helixtrans-52.8-35.2-176.800000113.2I130 I167 R172 I173 L192 V197 A200I130-A170 HydrophobicContact CG2-CB 3.77Å; I167-A170 VanDerWaalsContact O-CB 3.24Å; I167-A170 WeakPolarHBondContact O-CB 3.24Å; I167-A170 PolarHBondContact O-N 3.4Å; A170-R172 PolarHBondContact O-N 2.87Å; A170-I173 PolarHBondContact O-N 2.95Å; A170-L192 WeakPolarHBondContact O-CD1 3.21Å; A170-V197 HydrophobicContact CB-CG2 4.49Å; A170-A200 HydrophobicContact CB-CB 3.51Å
171Y91.9Very high93.7Very high14 Ų1415.2 Ų15.26%0.0557%0.07CC..G310 helixtrans-64.1-9.3-179.967.6-94.9000114.8E168 H169 L192 E229 Q232 V972E168-Y171 WeakPolarHBondContact O-CE1 3.43Å; H169-Y171 PolarHBondContact O-N 3.1Å; H169-Y171 VanDerWaalsContact O-N 3.09Å; Y171-L192 WeakPolarHBondContact O-CD2 3.39Å; Y171-E229 VanDerWaalsContact CE1-OE2 3.25Å; Y171-E229 WeakPolarHBondContact CE1-OE2 3.34Å; Y171-E229 PolarHBondContact OH-OE2 3.48Å; Y171-Q232 HydrophobicContact CD1-CB 3.63Å; Y171-Q232 HydrophobicContact CD2-CB 4.17Å; Y171-Q232 HydrophobicContact CE1-CB 3.51Å; Y171-Q232 HydrophobicContact CE1-CG 4.25Å; Y171-Q232 HydrophobicContact CE2-CB 4.03Å; Y171-Q232 HydrophobicContact CE2-CG 4.47Å; Y171-Q232 HydrophobicContact CG-CB 3.96Å; Y171-V972 HydrophobicContact CD2-CG2 3.37Å; Y171-V972 HydrophobicContact CE2-CG2 3.9Å; Y171-V972 HydrophobicContact CG-CG2 4.28Å
172R88.8Confident93.5Very high63 Ų6315.1 Ų15.124%0.2387%0.071CC..G310 helixtrans-126.34.4178.662.7169.8-169.2-156.2-2.4114.6Q101 H169 A170 P174 P993Q101-R172 VanDerWaalsContact NE2-NH2 3.14Å; H169-R172 HydrophobicContact CB-CG 4.02Å; H169-R172 PolarHBondContact CD2-NH2 2.95Å; H169-R172 PolarHBondContact CE1-NH2 3.19Å; H169-R172 PolarHBondContact NE2-NH2 3.14Å; H169-R172 WeakPolarHBondContact O-CG 3.27Å; H169-R172 PolarHBondContact O-N 2.72Å; A170-R172 PolarHBondContact O-N 2.87Å; R172-P174 WeakPolarHBondContact O-CD 3.47Å; R172-P993 HydrophobicContact CB-CB 4.24Å; R172-P993 HydrophobicContact CB-CG 3.68Å
173I91Very high93.3Very high10 Ų1015.3 Ų15.35%0.0517%0.071CC..  trans-110101.8-179-62.2170000107.8Q101 L128 H169 A170 D175Q101-I173 HydrophobicContact CB-CG1 4.46Å; Q101-I173 HydrophobicContact CG-CD1 4.2Å; Q101-I173 HydrophobicContact CG-CG1 4.34Å; L128-I173 HydrophobicContact CD1-CG2 4.36Å; L128-I173 HydrophobicContact CD2-CG2 4.01Å; H169-I173 HydrophobicContact CB-CD1 3.95Å; H169-I173 HydrophobicContact CB-CG1 4.48Å; H169-I173 WeakPolarHBondContact O-CG1 3.31Å; H169-I173 PolarHBondContact O-N 2.97Å; A170-I173 PolarHBondContact O-N 2.95Å; I173-D175 PolarHBondContact O-N 3.48Å
174P92.6Very high93.1Very high56 Ų5615.5 Ų15.536%0.3647%0.072SC..  trans-58.8132.2167.3-22.334.3000109.9L128 R172 P190 E191L128-P174 VanDerWaalsContact CD2-O 3.26Å; L128-P174 WeakPolarHBondContact CD2-O 3.37Å; R172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-P190 HydrophobicContact CB-CB 4Å; P174-P190 HydrophobicContact CB-CG 4.36Å; P174-E191 CarbonylContact C-O 3.57Å; P174-E191 WeakPolarHBondContact CA-O 3.34Å
175D95.3Very high92.7Very high1 Ų116.1 Ų16.11%0.0058%0.076CC..BIsolated β-bridgetrans-132.9178.1-177.280.9-24.3000111.2L128 I130 I173 G177 P190 E191 N193 S196L128-D175 HydrophobicContact CD2-CB 4.34Å; L128-D175 HydrophobicContact CG-CB 3.94Å; L128-D175 WeakPolarHBondContact O-CB 3.47Å; I130-D175 HydrophobicContact CG1-CB 4.19Å; I130-D175 PolarHBondContact N-OD2 3.38Å; I173-D175 PolarHBondContact O-N 3.48Å; D175-G177 PolarHBondContact O-N 3.04Å; D175-G177 PolarHBondContact OD1-N 3.15Å; D175-P190 VanDerWaalsContact O-CA 3.32Å; D175-P190 WeakPolarHBondContact O-CA 3.34Å; D175-P190 WeakPolarHBondContact O-CB 3.38Å; D175-E191 PolarHBondContact N-O 3.14Å; D175-E191 PolarHBondContact O-N 2.86Å; D175-N193 PolarHBondContact O-ND2 3.04Å; D175-N193 PolarHBondContact OD1-ND2 3.29Å; D175-S196 PolarHBondContact OD1-OG 2.87Å; D175-S196 WeakPolarHBondContact OD2-CB 3.39Å; D175-S196 PolarHBondContact OD2-OG 3.2Å
176Y95.8Very high92.5Very high41 Ų4116.6 Ų16.616%0.1618%0.079CC..  trans-81-7.3-179.4-70.8-77.3000113.4P103 G126 L128 E180 R181 G182 G188P103-Y176 HydrophobicContact CB-CE2 4.39Å; G126-Y176 VanDerWaalsContact C-CD2 3.43Å; G126-Y176 VanDerWaalsContact CA-CG 3.48Å; L128-Y176 HydrophobicContact CB-CD2 3.92Å; L128-Y176 HydrophobicContact CB-CE2 4.16Å; L128-Y176 WeakPolarHBondContact O-CD2 3.43Å; L128-Y176 PolarHBondContact O-N 3.35Å; Y176-E180 PolarHBondContact O-N 3.44Å; Y176-R181 PolarHBondContact O-N 3.41Å; Y176-G182 PolarHBondContact O-N 3.08Å; Y176-G188 VanDerWaalsContact CE1-O 3.26Å; Y176-G188 WeakPolarHBondContact CE1-O 3.14Å; Y176-G188 PolarHBondContact OH-O 3.37Å
177G93.7Very high92.2Very high3 Ų320.8 Ų20.83%0.03110%0.098CC..THydrogen-bonded Turntrans65.8-178.5-178.400000113.6D175 W179 E180 N193D175-G177 PolarHBondContact O-N 3.04Å; D175-G177 PolarHBondContact OD1-N 3.15Å; G177-W179 PolarHBondContact O-N 2.99Å; G177-E180 PolarHBondContact O-N 3.48Å; G177-N193 VanDerWaalsContact CA-ND2 3.33Å; G177-N193 WeakPolarHBondContact CA-ND2 3.45Å; G177-N193 PolarHBondContact N-ND2 3.28Å
178I95.1Very high91.7Very high5 Ų522.2 Ų22.23%0.02611%0.113CC..THydrogen-bonded Turntrans-61.7-16.6-176.8-162.1169.8000114.2R40 W423R40-I178 PolarHBondContact NH1-O 3.1Å; R40-I178 PolarHBondContact NH2-O 2.87Å; I178-W423 HydrophobicContact CD1-CH2 3.67Å; I178-W423 HydrophobicContact CD1-CZ2 4.21Å; I178-W423 HydrophobicContact CG1-CH2 3.88Å
179W94.2Very high91.6Very high29 Ų2927 Ų2711%0.1114%0.138CC..THydrogen-bonded Turntrans-103.53.8178.1-51127.2000114.3G177 R181 D251 R290 F291 M325 F326 W423G177-W179 PolarHBondContact O-N 2.99Å; W179-R181 PolarHBondContact O-N 2.88Å; W179-R181 VanDerWaalsContact O-N 3.08Å; W179-D251 PolarHBondContact NE1-OD1 2.93Å; W179-D251 VanDerWaalsContact NE1-OD1 3.15Å; W179-D251 PolarHBondContact NE1-OD2 3.49Å; W179-R290 HydrophobicContact CD2-CG 4.46Å; W179-R290 HydrophobicContact CH2-CG 4.18Å; W179-R290 HydrophobicContact CZ2-CB 4.04Å; W179-R290 HydrophobicContact CZ2-CG 3.89Å; W179-F291 AromaticContact CD1-CD1 3.86Å; W179-F291 AromaticContact CD1-CE1 3.65Å; W179-F291 HydrophobicContact CG-CE1 4.36Å; W179-F291 AromaticContact NE1-CD1 3.99Å; W179-M325 HydrophobicContact CH2-CE 3.61Å; W179-M325 HydrophobicContact CZ3-CE 4.11Å; W179-F326 AromaticContact CH2-CZ 3.72Å; W179-F326 HydrophobicContact CH2-CZ 3.72Å; W179-F326 AromaticContact CZ2-CZ 3.79Å; W179-F326 HydrophobicContact CZ2-CZ 3.79Å; W179-W423 HydrophobicContact CH2-CH2 4.41Å; W179-W423 HydrophobicContact CH2-CZ3 4.49Å; W179-W423 HydrophobicContact CZ3-CH2 4.28Å; W179-W423 AromaticContact CZ3-CZ3 3.98Å; W179-W423 HydrophobicContact CZ3-CZ3 3.98Å
180E90.4Very high91.7Very high24 Ų2428.9 Ų28.911%0.11215%0.15CC..THydrogen-bonded Turntrans67.88.6163.4-36-169.5177.300116.1W38 R40 W125 Q129 Y176 G177W38-E180 PolarHBondContact NE1-OE2 2.78Å; R40-E180 IonicContact CZ-OE1 3.79Å; R40-E180 IonicContact NH1-OE1 3.76Å; R40-E180 IonicContact NH2-OE1 2.63Å; R40-E180 PolarHBondContact NH2-OE1 3.18Å; W125-E180 WeakPolarHBondContact CZ2-OE2 3.48Å; W125-E180 PolarHBondContact NE1-OE2 3.49Å; Q129-E180 PolarHBondContact NE2-OE2 2.87Å; Y176-E180 PolarHBondContact O-N 3.44Å; G177-E180 PolarHBondContact O-N 3.48Å
181R90.4Very high91.7Very high51 Ų5129.8 Ų29.819%0.19215%0.154CC..SBendtrans-117.7-9.9-175.5-64.9-170.8175.6-169.1-6.4114.8Y176 W179 N186 E301 Y308Y176-R181 PolarHBondContact O-N 3.41Å; W179-R181 PolarHBondContact O-N 2.88Å; W179-R181 VanDerWaalsContact O-N 3.08Å; R181-N186 HydrophobicContact CB-CB 4.21Å; R181-N186 WeakPolarHBondContact CB-OD1 3.39Å; R181-N186 WeakPolarHBondContact CD-ND2 3.45Å; R181-N186 WeakPolarHBondContact CD-OD1 3.37Å; R181-N186 PolarHBondContact NH1-ND2 3.47Å; R181-E301 IonicContact NH1-OE1 2.84Å; R181-E301 PolarHBondContact NH1-OE1 2.71Å; R181-Y308 PolarHBondContact NH1-OH 2.74Å
182G91.8Very high91.8Very high4 Ų430.6 Ų30.64%0.04116%0.159CC..  trans78.2-128.7-17900000111.6Y176 L189 K248Y176-G182 PolarHBondContact O-N 3.08Å; G182-L189 CarbonylContact C-O 3.14Å; G182-L189 WeakPolarHBondContact CA-O 3.16Å; G182-K248 PolarHBondContact O-NZ 3.37Å
183D93.1Very high92.1Very high3 Ų327.7 Ų27.72%0.01615%0.149CC..SBendtrans-60.5157.3-177.490.4-69.5000113.3T185 N186 H187 L189 E191D183-T185 PolarHBondContact O-N 3.07Å; D183-T185 PolarHBondContact OD1-OG1 3.23Å; D183-T185 WeakPolarHBondContact OD2-CB 3.31Å; D183-T185 PolarHBondContact OD2-N 3.41Å; D183-T185 VanDerWaalsContact OD2-N 3.09Å; D183-T185 PolarHBondContact OD2-OG1 3.02Å; D183-N186 PolarHBondContact O-N 3.05Å; D183-N186 PolarHBondContact O-OD1 3.35Å; D183-H187 PolarHBondContact OD1-N 3.05Å; D183-L189 HydrophobicContact CB-CB 4.26Å; D183-L189 PolarHBondContact N-O 3.29Å; D183-E191 WeakPolarHBondContact CA-OE2 3.27Å; D183-E191 HydrophobicContact CB-CG 3.95Å
184K91.9Very high92.4Very high4 Ų427.2 Ų27.22%0.01715%0.146CC..THydrogen-bonded Turntrans-57.7-24.1-175.4-168.3-176.7591680114.2N186 S247 K248 F291 L313 E1218 E1223K184-N186 VanDerWaalsContact C-N 3.29Å; K184-S247 WeakPolarHBondContact CB-OG 3.03Å; K184-S247 WeakPolarHBondContact CD-O 3.34Å; K184-S247 PolarHBondContact N-OG 2.91Å; K184-K248 HydrophobicContact CB-CG 4.48Å; K184-F291 HydrophobicContact CD-CD2 4.49Å; K184-F291 HydrophobicContact CG-CD2 4.17Å; K184-F291 HydrophobicContact CG-CE2 3.75Å; K184-L313 HydrophobicContact CG-CD2 4.29Å; K184-E1218 PolarHBondContact NZ-O 3.26Å; K184-E1218 VanDerWaalsContact NZ-O 3.12Å; K184-E1223 IonicContact NZ-OE1 3.56Å; K184-E1223 PolarHBondContact NZ-OE1 3.28Å; K184-E1223 IonicContact NZ-OE2 2.81Å; K184-E1223 PolarHBondContact NZ-OE2 3.39Å
185T90.6Very high92.7Very high14 Ų1424.6 Ų24.69%0.08613%0.129CC..THydrogen-bonded Turntrans-83.1-4.4176.266.20000113.4D183 H187 Y307 Y308 L313D183-T185 PolarHBondContact O-N 3.07Å; D183-T185 PolarHBondContact OD1-OG1 3.23Å; D183-T185 WeakPolarHBondContact OD2-CB 3.31Å; D183-T185 PolarHBondContact OD2-N 3.41Å; D183-T185 VanDerWaalsContact OD2-N 3.09Å; D183-T185 PolarHBondContact OD2-OG1 3.02Å; T185-H187 WeakPolarHBondContact CB-ND1 3.28Å; T185-H187 PolarHBondContact O-N 3.27Å; T185-H187 PolarHBondContact OG1-ND1 3.03Å; T185-Y307 CarbonylContact O-C 3.52Å; T185-Y307 WeakPolarHBondContact O-CA 3.47Å; T185-Y308 PolarHBondContact O-N 3.1Å; T185-L313 HydrophobicContact CG2-CD1 3.84Å
186N89.6Confident92.8Very high13 Ų1324.7 Ų24.77%0.0713%0.13CC..  trans5731.3179.2-58.9-26.8000114.1R181 D183 K184 G188 L306 Y307 Y308R181-N186 HydrophobicContact CB-CB 4.21Å; R181-N186 WeakPolarHBondContact CB-OD1 3.39Å; R181-N186 WeakPolarHBondContact CD-ND2 3.45Å; R181-N186 WeakPolarHBondContact CD-OD1 3.37Å; R181-N186 PolarHBondContact NH1-ND2 3.47Å; D183-N186 PolarHBondContact O-N 3.05Å; D183-N186 PolarHBondContact O-OD1 3.35Å; K184-N186 VanDerWaalsContact C-N 3.29Å; N186-G188 PolarHBondContact O-N 3.47Å; N186-G188 VanDerWaalsContact O-N 3.17Å; N186-L306 WeakPolarHBondContact CB-O 3.16Å; N186-Y307 WeakPolarHBondContact O-CB 3.26Å; N186-Y308 WeakPolarHBondContact ND2-CE2 3.47Å; N186-Y308 PolarHBondContact ND2-OH 2.85Å
187H88.1Confident92.9Very high92 Ų9222.8 Ų22.843%0.42612%0.123SC..SBendtrans-75.46.8172.1-75.990.5000112.6D183 T185 L189 Y307 Y308D183-H187 PolarHBondContact OD1-N 3.05Å; T185-H187 WeakPolarHBondContact CB-ND1 3.28Å; T185-H187 PolarHBondContact O-N 3.27Å; T185-H187 PolarHBondContact OG1-ND1 3.03Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 HydrophobicContact CB-CD1 4.3Å; H187-L189 HydrophobicContact CB-CG 4.12Å; H187-Y307 AromaticContact CD2-CD2 3.93Å; H187-Y307 AromaticContact CE1-CD2 3.8Å; H187-Y307 AromaticContact NE2-CD2 3.32Å; H187-Y307 VanDerWaalsContact NE2-CD2 3.32Å; H187-Y307 WeakPolarHBondContact NE2-CD2 3.48Å; H187-Y307 AromaticContact NE2-CE2 3.88Å; H187-Y307 AromaticContact NE2-CG 3.92Å; H187-Y308 PolarHBondContact CE1-O 3.44Å; H187-Y308 VanDerWaalsContact CE1-O 3.26Å
188G85.3Confident93.2Very high31 Ų3122.7 Ų22.732%0.3212%0.121SC..SBendtrans72.325.9-175.900000112.7Y176 N186 P190Y176-G188 VanDerWaalsContact CE1-O 3.26Å; Y176-G188 WeakPolarHBondContact CE1-O 3.14Å; Y176-G188 PolarHBondContact OH-O 3.37Å; N186-G188 PolarHBondContact O-N 3.47Å; N186-G188 VanDerWaalsContact O-N 3.17Å; G188-P190 WeakPolarHBondContact O-CD 3.48Å
189L90.4Very high93.3Very high101 Ų10122.6 Ų22.653%0.52912%0.121SC..  trans-89.1115.8176.2-61.6177.2000109.3G182 D183 H187G182-L189 CarbonylContact C-O 3.14Å; G182-L189 WeakPolarHBondContact CA-O 3.16Å; D183-L189 HydrophobicContact CB-CB 4.26Å; D183-L189 PolarHBondContact N-O 3.29Å; H187-L189 VanDerWaalsContact C-N 3.3Å; H187-L189 HydrophobicContact CB-CD1 4.3Å; H187-L189 HydrophobicContact CB-CG 4.12Å
190P92.8Very high93.5Very high45 Ų4521.2 Ų21.229%0.29212%0.116SC..  trans-68.8147.9178.629-34.3000111.1P174 D175 G188P174-P190 HydrophobicContact CB-CB 4Å; P174-P190 HydrophobicContact CB-CG 4.36Å; D175-P190 VanDerWaalsContact O-CA 3.32Å; D175-P190 WeakPolarHBondContact O-CA 3.34Å; D175-P190 WeakPolarHBondContact O-CB 3.38Å; G188-P190 WeakPolarHBondContact O-CD 3.48Å
191E92.3Very high93.9Very high21 Ų2120.1 Ų20.110%0.09811%0.111CC..BIsolated β-bridgetrans-130.4159.1176.5-65.8-172.4125.600109.5P174 D175 D183 N193 S245 S247 K248P174-E191 CarbonylContact C-O 3.57Å; P174-E191 WeakPolarHBondContact CA-O 3.34Å; D175-E191 PolarHBondContact N-O 3.14Å; D175-E191 PolarHBondContact O-N 2.86Å; D183-E191 WeakPolarHBondContact CA-OE2 3.27Å; D183-E191 HydrophobicContact CB-CG 3.95Å; E191-N193 PolarHBondContact O-N 3.2Å; E191-N193 PolarHBondContact O-ND2 3.36Å; E191-S245 PolarHBondContact OE2-OG 2.88Å; E191-S247 VanDerWaalsContact CD-OG 3.28Å; E191-S247 VanDerWaalsContact OE1-CB 3.31Å; E191-S247 WeakPolarHBondContact OE1-CB 3.26Å; E191-S247 PolarHBondContact OE1-N 3.24Å; E191-S247 PolarHBondContact OE1-OG 3.35Å; E191-S247 WeakPolarHBondContact OE2-CB 3.49Å; E191-S247 PolarHBondContact OE2-OG 2.9Å; E191-K248 IonicContact OE2-NZ 3.96Å; E191-K248 PolarHBondContact OE2-NZ 3.29Å
192L94.1Very high94.2Very high31 Ų3117.7 Ų17.716%0.16210%0.101CC..  trans-72.3112.5169.4-170.769.3000108.5A170 Y171 V197 M240 S245A170-L192 WeakPolarHBondContact O-CD1 3.21Å; Y171-L192 WeakPolarHBondContact O-CD2 3.39Å; L192-V197 HydrophobicContact CD1-CG2 3.92Å; L192-V197 HydrophobicContact CG-CG2 4.36Å; L192-M240 HydrophobicContact CB-CE 4.39Å; L192-M240 HydrophobicContact CD2-CE 4.21Å; L192-M240 HydrophobicContact CD2-SD 3.85Å; L192-M240 HydrophobicContact CG-CE 4.13Å; L192-M240 HydrophobicContact CG-SD 4.24Å; L192-M240 VanDerWaalsContact O-CE 3.25Å; L192-M240 WeakPolarHBondContact O-CE 3.47Å; L192-S245 WeakPolarHBondContact O-CB 3.49Å
193N95.9Very high94.5Very high3 Ų317.5 Ų17.52%0.01610%0.099CC..  trans-103124.8-176.7-67.2-62.7000111.1D175 G177 E191 T195 S196 V197 E244D175-N193 PolarHBondContact O-ND2 3.04Å; D175-N193 PolarHBondContact OD1-ND2 3.29Å; G177-N193 VanDerWaalsContact CA-ND2 3.33Å; G177-N193 WeakPolarHBondContact CA-ND2 3.45Å; G177-N193 PolarHBondContact N-ND2 3.28Å; E191-N193 PolarHBondContact O-N 3.2Å; E191-N193 PolarHBondContact O-ND2 3.36Å; N193-T195 VanDerWaalsContact C-N 3.34Å; N193-T195 PolarHBondContact O-N 3.27Å; N193-S196 WeakPolarHBondContact O-CB 3.35Å; N193-S196 PolarHBondContact O-N 3.35Å; N193-V197 WeakPolarHBondContact O-CG2 3.45Å; N193-V197 PolarHBondContact O-N 3.4Å; N193-V197 VanDerWaalsContact O-N 3.14Å; N193-E244 CarbonylContact C-O 3.5Å; N193-E244 WeakPolarHBondContact CA-O 3.36Å; N193-E244 WeakPolarHBondContact CB-OE1 3.29Å
194T97.8Very high94.7Very high0 Ų017.4 Ų17.40%010%0.099CC..Hα-helixtrans-63.6-38.1-177.6-54.10000111.9S196 V197 G198 V237 M240 L241 R243 E244 L254 I257T194-S196 VanDerWaalsContact C-N 3.33Å; T194-S196 PolarHBondContact O-N 3.1Å; T194-V197 PolarHBondContact O-N 3.46Å; T194-G198 PolarHBondContact O-N 3.14Å; T194-V237 HydrophobicContact CG2-CG1 4.44Å; T194-V237 HydrophobicContact CG2-CG2 4.5Å; T194-M240 HydrophobicContact CG2-CB 4.23Å; T194-M240 VanDerWaalsContact OG1-CB 3.25Å; T194-M240 WeakPolarHBondContact OG1-CB 3.08Å; T194-M240 VanDerWaalsContact OG1-CE 3.24Å; T194-M240 WeakPolarHBondContact OG1-CE 3.28Å; T194-L241 HydrophobicContact CG2-CD2 3.68Å; T194-L241 HydrophobicContact CG2-CG 3.94Å; T194-R243 PolarHBondContact OG1-O 3.07Å; T194-E244 WeakPolarHBondContact CB-OE2 3.49Å; T194-E244 PolarHBondContact N-O 3.28Å; T194-E244 PolarHBondContact OG1-O 3.13Å; T194-E244 VanDerWaalsContact OG1-O 3.06Å; T194-L254 HydrophobicContact CG2-CD2 4.05Å; T194-I257 HydrophobicContact CG2-CD1 4.16Å
195T98.2Very high94.9Very high1 Ų120 Ų201%0.00611%0.111CC..Hα-helixtrans-55.2-46.9172.951.30000112.2N193 G198 M199 E244 G253 L254 I257N193-T195 VanDerWaalsContact C-N 3.34Å; N193-T195 PolarHBondContact O-N 3.27Å; T195-G198 PolarHBondContact O-N 3.1Å; T195-M199 WeakPolarHBondContact O-CB 3.38Å; T195-M199 PolarHBondContact O-N 3.41Å; T195-E244 WeakPolarHBondContact CB-OE1 3.49Å; T195-E244 WeakPolarHBondContact CG2-OE2 3.46Å; T195-E244 PolarHBondContact N-OE1 3.18Å; T195-E244 PolarHBondContact N-OE2 3.36Å; T195-E244 PolarHBondContact OG1-OE1 3.35Å; T195-G253 WeakPolarHBondContact CG2-O 3.45Å; T195-L254 HydrophobicContact CG2-CD2 3.99Å; T195-L254 HydrophobicContact CG2-CG 4.36Å; T195-I257 WeakPolarHBondContact O-CG2 3.38Å
196S98.3Very high95.1Very high3 Ų319.6 Ų19.62%0.02111%0.109CC..Hα-helixtrans-62.7-46.7178.6-63.40000112.2D175 N193 T194 M199 A200D175-S196 PolarHBondContact OD1-OG 2.87Å; D175-S196 WeakPolarHBondContact OD2-CB 3.39Å; D175-S196 PolarHBondContact OD2-OG 3.2Å; N193-S196 WeakPolarHBondContact O-CB 3.35Å; N193-S196 PolarHBondContact O-N 3.35Å; T194-S196 VanDerWaalsContact C-N 3.33Å; T194-S196 PolarHBondContact O-N 3.1Å; S196-M199 PolarHBondContact O-N 3.24Å; S196-A200 WeakPolarHBondContact O-CB 3.4Å; S196-A200 PolarHBondContact O-N 2.79Å
197V97.9Very high95.5Very high1 Ų119 Ų191%0.00611%0.106CC..Hα-helixtrans-66.9-40.7179.2-1750000111.5A170 L192 N193 T194 A200 K201 C233 A236 V237A170-V197 HydrophobicContact CB-CG2 4.49Å; L192-V197 HydrophobicContact CD1-CG2 3.92Å; L192-V197 HydrophobicContact CG-CG2 4.36Å; N193-V197 WeakPolarHBondContact O-CG2 3.45Å; N193-V197 PolarHBondContact O-N 3.4Å; N193-V197 VanDerWaalsContact O-N 3.14Å; T194-V197 PolarHBondContact O-N 3.46Å; V197-A200 PolarHBondContact O-N 2.63Å; V197-K201 PolarHBondContact O-N 3.14Å; V197-C233 HydrophobicContact CG1-CB 3.85Å; V197-A236 HydrophobicContact CG1-CB 3.96Å; V197-V237 HydrophobicContact CB-CG2 4.25Å; V197-V237 HydrophobicContact CG1-CG2 4Å
198G98Very high95.7Very high0 Ų016.3 Ų16.30%010%0.096CC..Hα-helixtrans-63.7-46.6176.400000112T194 T195 A200 K201 A202 S264T194-G198 PolarHBondContact O-N 3.14Å; T195-G198 PolarHBondContact O-N 3.1Å; G198-A200 VanDerWaalsContact C-N 3.34Å; G198-A200 PolarHBondContact O-N 3.05Å; G198-K201 WeakPolarHBondContact O-CB 3.39Å; G198-K201 PolarHBondContact O-N 3.46Å; G198-A202 PolarHBondContact O-N 2.7Å; G198-S264 WeakPolarHBondContact O-CB 3.49Å; G198-S264 PolarHBondContact O-OG 2.6Å
199M98.5Very high95.9Very high4 Ų417.3 Ų17.32%0.029%0.094CC..Hα-helixtrans-64.9-39.1177.8-164.662.467.900111.6V135 L138 T195 S196 A202 A203 I257 P261V135-M199 HydrophobicContact CB-CG 4.04Å; V135-M199 HydrophobicContact CB-SD 4.1Å; V135-M199 HydrophobicContact CG2-SD 4.25Å; L138-M199 HydrophobicContact CD2-SD 3.64Å; T195-M199 WeakPolarHBondContact O-CB 3.38Å; T195-M199 PolarHBondContact O-N 3.41Å; S196-M199 PolarHBondContact O-N 3.24Å; M199-A202 WeakPolarHBondContact O-CB 3.08Å; M199-A202 PolarHBondContact O-N 3.38Å; M199-A203 WeakPolarHBondContact O-CB 3.4Å; M199-A203 PolarHBondContact O-N 2.84Å; M199-I257 HydrophobicContact CB-CG2 4.26Å; M199-I257 HydrophobicContact CE-CG2 4.12Å; M199-P261 HydrophobicContact CE-CG 4.39Å
200A98.5Very high96.1Very high0 Ų013.8 Ų13.80%08%0.076CC..Hα-helixtrans-60.4-47.9173.100000111.4I130 S134 I167 A170 S196 V197 G198 A202 A203 L204I130-A200 HydrophobicContact CG2-CB 4.17Å; S134-A200 VanDerWaalsContact OG-CA 3.26Å; S134-A200 WeakPolarHBondContact OG-CA 3.3Å; S134-A200 WeakPolarHBondContact OG-CB 3.5Å; S134-A200 PolarHBondContact OG-N 3.22Å; I167-A200 HydrophobicContact CB-CB 4.25Å; A170-A200 HydrophobicContact CB-CB 3.51Å; S196-A200 WeakPolarHBondContact O-CB 3.4Å; S196-A200 PolarHBondContact O-N 2.79Å; V197-A200 PolarHBondContact O-N 2.63Å; G198-A200 VanDerWaalsContact C-N 3.34Å; G198-A200 PolarHBondContact O-N 3.05Å; A200-A202 VanDerWaalsContact C-N 3.29Å; A200-A202 PolarHBondContact O-N 3.4Å; A200-A203 PolarHBondContact O-N 2.8Å; A200-L204 WeakPolarHBondContact O-CB 3.44Å; A200-L204 WeakPolarHBondContact O-CG 3.19Å; A200-L204 PolarHBondContact O-N 2.95Å
201K97.7Very high96.2Very high1 Ų113 Ų130%0.0047%0.069CC..Hα-helixtrans-53.3-48173.3179.3-175.9174.8-71.80111.2V197 G198 A203 L204 E205 C233 N234 S264V197-K201 PolarHBondContact O-N 3.14Å; G198-K201 WeakPolarHBondContact O-CB 3.39Å; G198-K201 PolarHBondContact O-N 3.46Å; K201-A203 VanDerWaalsContact C-N 3.34Å; K201-A203 PolarHBondContact O-N 2.92Å; K201-L204 PolarHBondContact O-N 3.22Å; K201-E205 VanDerWaalsContact CE-OE1 3.29Å; K201-E205 WeakPolarHBondContact CE-OE1 3.34Å; K201-E205 HydrophobicContact CG-CG 4.49Å; K201-E205 IonicContact NZ-OE1 3.79Å; K201-E205 PolarHBondContact NZ-OE1 3.17Å; K201-E205 IonicContact NZ-OE2 2.71Å; K201-E205 PolarHBondContact NZ-OE2 3.14Å; K201-E205 WeakPolarHBondContact O-CG 3.44Å; K201-E205 PolarHBondContact O-N 2.83Å; K201-C233 HydrophobicContact CB-CB 3.87Å; K201-C233 HydrophobicContact CG-CB 4.42Å; K201-N234 HydrophobicContact CD-CB 4.03Å; K201-N234 WeakPolarHBondContact CE-OD1 3.31Å; K201-S264 WeakPolarHBondContact CD-O 3.49Å; K201-S264 VanDerWaalsContact CE-O 3.22Å; K201-S264 WeakPolarHBondContact CE-O 3.43Å; K201-S264 PolarHBondContact NZ-O 3.37Å
202A97.7Very high96.3Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-58.7-46.4179.900000112.4L138 G198 M199 A200 A206 G262L138-A202 HydrophobicContact CD1-CB 4.3Å; L138-A202 HydrophobicContact CD2-CB 3.85Å; G198-A202 PolarHBondContact O-N 2.7Å; M199-A202 WeakPolarHBondContact O-CB 3.08Å; M199-A202 PolarHBondContact O-N 3.38Å; A200-A202 VanDerWaalsContact C-N 3.29Å; A200-A202 PolarHBondContact O-N 3.4Å; A202-A206 VanDerWaalsContact O-CB 3.26Å; A202-A206 WeakPolarHBondContact O-CB 3.3Å; A202-A206 PolarHBondContact O-N 3.45Å; A202-G262 WeakPolarHBondContact CB-O 3.4Å
203A98.5Very high96.4Very high0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-64.1-43.6178.400000112.1S134 L137 L138 I167 M199 A200 K201 A206 L207S134-A203 VanDerWaalsContact O-CB 3.29Å; S134-A203 WeakPolarHBondContact O-CB 3.44Å; L137-A203 HydrophobicContact CB-CB 4.04Å; L138-A203 HydrophobicContact CB-CB 4.09Å; I167-A203 HydrophobicContact CD1-CB 3.87Å; M199-A203 WeakPolarHBondContact O-CB 3.4Å; M199-A203 PolarHBondContact O-N 2.84Å; A200-A203 PolarHBondContact O-N 2.8Å; K201-A203 VanDerWaalsContact C-N 3.34Å; K201-A203 PolarHBondContact O-N 2.92Å; A203-A206 PolarHBondContact O-N 3.38Å; A203-L207 WeakPolarHBondContact O-CB 3.37Å; A203-L207 WeakPolarHBondContact O-CG 3.48Å; A203-L207 PolarHBondContact O-N 2.87Å
204L97.6Very high96Very high0 Ų014.1 Ų14.10%08%0.081CC..Hα-helixtrans-61.9-46.4177.7-69.7169.6000111.4V164 I167 E168 A200 K201 L207 T208 V225V164-L204 HydrophobicContact CG1-CD2 3.85Å; I167-L204 HydrophobicContact CD1-CD2 3.99Å; I167-L204 HydrophobicContact CD1-CG 4.01Å; I167-L204 HydrophobicContact CG1-CD2 3.99Å; I167-L204 HydrophobicContact CG1-CG 4.35Å; E168-L204 HydrophobicContact CB-CD2 4.36Å; A200-L204 WeakPolarHBondContact O-CB 3.44Å; A200-L204 WeakPolarHBondContact O-CG 3.19Å; A200-L204 PolarHBondContact O-N 2.95Å; K201-L204 PolarHBondContact O-N 3.22Å; L204-L207 PolarHBondContact O-N 2.81Å; L204-T208 PolarHBondContact O-N 3.33Å; L204-T208 VanDerWaalsContact O-N 3.12Å; L204-T208 PolarHBondContact O-OG1 3.27Å; L204-V225 HydrophobicContact CB-CG1 3.93Å; L204-V225 HydrophobicContact CD2-CG1 3.82Å; L204-V225 HydrophobicContact CD2-CG2 4.39Å; L204-V225 HydrophobicContact CG-CG1 4.41Å
205E94.9Very high95.2Very high58 Ų5819.2 Ų19.227%0.27112%0.122SC..Hα-helixtrans-63.5-42175.9-70.6176153.800111.5K201 L207 T208 C230 R449K201-E205 VanDerWaalsContact CE-OE1 3.29Å; K201-E205 WeakPolarHBondContact CE-OE1 3.34Å; K201-E205 HydrophobicContact CG-CG 4.49Å; K201-E205 IonicContact NZ-OE1 3.79Å; K201-E205 PolarHBondContact NZ-OE1 3.17Å; K201-E205 IonicContact NZ-OE2 2.71Å; K201-E205 PolarHBondContact NZ-OE2 3.14Å; K201-E205 WeakPolarHBondContact O-CG 3.44Å; K201-E205 PolarHBondContact O-N 2.83Å; E205-L207 PolarHBondContact O-N 2.71Å; E205-T208 PolarHBondContact O-N 3.08Å; E205-C230 WeakPolarHBondContact CG-SG 3.18Å; E205-R449 IonicContact OE2-NH2 3.65Å; E205-R449 PolarHBondContact OE2-NH2 3.35Å
206A95.9Very high94.4Very high6 Ų624.5 Ų24.55%0.0515%0.151CC..Hα-helixtrans-67.3-34-179.800000113.4L138 A141 A202 A203 L447L138-A206 HydrophobicContact CD1-CB 3.53Å; A141-A206 HydrophobicContact CB-CB 3.76Å; A202-A206 VanDerWaalsContact O-CB 3.26Å; A202-A206 WeakPolarHBondContact O-CB 3.3Å; A202-A206 PolarHBondContact O-N 3.45Å; A203-A206 PolarHBondContact O-N 3.38Å; A206-L447 HydrophobicContact CB-CD1 3.76Å
207L96.3Very high93.6Very high0 Ų025.6 Ų25.60%016%0.163CC..Hα-helixtrans-86-10.9179.3-75.1172.4000113.8L137 A141 V164 A203 L204 E205 D209 L210 L212 I223 V225L137-L207 HydrophobicContact CB-CD1 3.9Å; L137-L207 HydrophobicContact CD1-CD1 4.24Å; L137-L207 HydrophobicContact CD2-CD1 4.18Å; L137-L207 HydrophobicContact CG-CD1 4.33Å; A141-L207 HydrophobicContact CB-CD2 3.88Å; A141-L207 HydrophobicContact CB-CG 4.16Å; V164-L207 HydrophobicContact CG2-CD1 3.74Å; A203-L207 WeakPolarHBondContact O-CB 3.37Å; A203-L207 WeakPolarHBondContact O-CG 3.48Å; A203-L207 PolarHBondContact O-N 2.87Å; L204-L207 PolarHBondContact O-N 2.81Å; E205-L207 PolarHBondContact O-N 2.71Å; L207-D209 PolarHBondContact O-N 2.93Å; L207-L210 HydrophobicContact CD2-CD2 4.25Å; L207-L210 PolarHBondContact O-N 3.46Å; L207-L210 VanDerWaalsContact O-N 3.14Å; L207-L212 HydrophobicContact CD2-CD2 4.3Å; L207-I223 HydrophobicContact CB-CG2 4.03Å; L207-V225 HydrophobicContact CB-CG2 4.33Å
208T93.4Very high93Very high37 Ų3728 Ų2823%0.22718%0.18CC..THydrogen-bonded Turntrans-60.9114.3-175.2-67.90000110.3L204 E205 L210 L227L204-T208 PolarHBondContact O-N 3.33Å; L204-T208 VanDerWaalsContact O-N 3.12Å; L204-T208 PolarHBondContact O-OG1 3.27Å; E205-T208 PolarHBondContact O-N 3.08Å; T208-L210 PolarHBondContact O-N 3.03Å; T208-L227 HydrophobicContact CG2-CD2 4.05Å
209D90.2Very high92.1Very high52 Ų5232.1 Ų32.128%0.27820%0.196SC..THydrogen-bonded Turntrans59.423.8179-51.6-41.1000113.6L207 T222 I223 R224 R638L207-D209 PolarHBondContact O-N 2.93Å; D209-T222 HydrophobicContact CB-CG2 4.45Å; D209-I223 WeakPolarHBondContact CA-O 3.38Å; D209-I223 PolarHBondContact N-O 3.48Å; D209-R224 VanDerWaalsContact CG-NH1 3.33Å; D209-R224 WeakPolarHBondContact OD1-CD 3.34Å; D209-R224 IonicContact OD1-CZ 3.1Å; D209-R224 IonicContact OD1-NE 2.76Å; D209-R224 IonicContact OD1-NH1 3Å; D209-R224 PolarHBondContact OD1-NH1 2.91Å; D209-R638 IonicContact OD1-CZ 2.92Å; D209-R638 IonicContact OD1-NH1 2.68Å; D209-R638 PolarHBondContact OD1-NH1 2.87Å; D209-R638 IonicContact OD2-CZ 2.78Å; D209-R638 IonicContact OD2-NE 2.9Å; D209-R638 IonicContact OD2-NH1 3.83Å; D209-R638 PolarHBondContact OD2-NH1 2.74Å; D209-R638 IonicContact OD2-NH2 3.17Å; D209-R638 PolarHBondContact OD2-NH2 2.65Å
210L93.3Very high91.5Very high26 Ų2636 Ų3614%0.13622%0.216CC..  trans-82.4132.2175-176.670.2000111.1A141 L207 T208 T222 I223A141-L210 VanDerWaalsContact CA-CD2 3.49Å; A141-L210 HydrophobicContact CB-CD2 3.61Å; L207-L210 HydrophobicContact CD2-CD2 4.25Å; L207-L210 PolarHBondContact O-N 3.46Å; L207-L210 VanDerWaalsContact O-N 3.14Å; T208-L210 PolarHBondContact O-N 3.03Å; L210-T222 WeakPolarHBondContact O-CA 3.46Å; L210-I223 PolarHBondContact O-N 2.97Å
211D94.5Very high91.2Very high29 Ų2936 Ų3616%0.15522%0.216CC..BIsolated β-bridgetrans-84.1116.1171.9-163.5-36.3000111.6T144 F213 G214 G217 S218 S221T144-D211 VanDerWaalsContact CG2-O 3.31Å; T144-D211 WeakPolarHBondContact CG2-O 3.44Å; D211-F213 PolarHBondContact O-N 3.22Å; D211-F213 PolarHBondContact OD1-N 3.46Å; D211-G214 PolarHBondContact O-N 3.11Å; D211-G217 WeakPolarHBondContact OD1-CA 3.27Å; D211-G217 WeakPolarHBondContact OD2-CA 3.43Å; D211-S218 PolarHBondContact OD2-N 2.83Å; D211-S221 VanDerWaalsContact CG-OG 3.25Å; D211-S221 VanDerWaalsContact OD1-CB 3.26Å; D211-S221 WeakPolarHBondContact OD1-CB 3.46Å; D211-S221 PolarHBondContact OD1-OG 3.33Å; D211-S221 PolarHBondContact OD2-OG 2.97Å
212L96Very high91Very high1 Ų137 Ų371%0.00522%0.222CC..THydrogen-bonded Turntrans-71.2-14.3-179.1-67.4-179.5000114.4L140 I151 V157 I160 L207 S221 I223L140-L212 HydrophobicContact CD2-CD2 4.39Å; I151-L212 HydrophobicContact CB-CB 4.1Å; I151-L212 HydrophobicContact CG1-CB 4.13Å; I151-L212 HydrophobicContact CG1-CD1 4.22Å; I151-L212 HydrophobicContact CG1-CD2 4.42Å; I151-L212 HydrophobicContact CG1-CG 4.5Å; I151-L212 HydrophobicContact CG2-CB 4.22Å; I151-L212 HydrophobicContact CG2-CD1 4.45Å; V157-L212 HydrophobicContact CB-CD1 4.42Å; V157-L212 HydrophobicContact CG1-CD1 4.24Å; V157-L212 HydrophobicContact CG2-CB 4.32Å; V157-L212 HydrophobicContact CG2-CD1 4.24Å; I160-L212 HydrophobicContact CB-CD1 3.94Å; I160-L212 HydrophobicContact CG1-CD1 4.12Å; I160-L212 HydrophobicContact CG2-CD1 3.88Å; L207-L212 HydrophobicContact CD2-CD2 4.3Å; L212-S221 PolarHBondContact N-O 3.39Å; L212-I223 HydrophobicContact CD1-CD1 3.63Å; L212-I223 HydrophobicContact CD1-CG1 3.53Å; L212-I223 HydrophobicContact CD2-CG1 4.29Å; L212-I223 HydrophobicContact CG-CD1 4.38Å; L212-I223 HydrophobicContact CG-CG1 3.76Å
213F94.8Very high90.9Very high49 Ų4937 Ų3722%0.21522%0.222CC..THydrogen-bonded Turntrans-94.44.6170-62.9-24.9000112.6I151 L154 V157 D211 A215 S221I151-F213 HydrophobicContact CG2-CE1 4.02Å; L154-F213 HydrophobicContact CD2-CE2 3.95Å; L154-F213 HydrophobicContact CD2-CZ 4.26Å; V157-F213 HydrophobicContact CG2-CE1 4.16Å; V157-F213 HydrophobicContact CG2-CZ 4.06Å; D211-F213 PolarHBondContact O-N 3.22Å; D211-F213 PolarHBondContact OD1-N 3.46Å; F213-A215 PolarHBondContact O-N 3.24Å; F213-S221 WeakPolarHBondContact CD2-OG 3.4Å
214G87Confident90.5Very high29 Ų2938.6 Ų38.630%0.29923%0.228SC..G310 helixtrans64.3-131.1-179.600000111.3D211 D216 G217D211-G214 PolarHBondContact O-N 3.11Å; G214-D216 VanDerWaalsContact C-N 3.29Å; G214-D216 PolarHBondContact O-N 3.43Å; G214-G217 PolarHBondContact O-N 3.37Å
215A81.3Confident90.3Very high106 Ų10639 Ų3988%0.87623%0.231SC*.G310 helixtrans-69.2-21.5-17500000114.8F213F213-A215 PolarHBondContact O-N 3.24Å
216D82.7Confident90.1Very high113 Ų11336.5 Ų36.560%0.60422%0.22SC*.G310 helixtrans-95.64.3-177.3-57.2-63.1000113.1R149 G214R149-D216 IonicContact CZ-OD2 2.72Å; R149-D216 IonicContact NE-OD2 3.2Å; R149-D216 IonicContact NH2-OD2 2.91Å; R149-D216 PolarHBondContact NH2-OD2 3.45Å; G214-D216 VanDerWaalsContact C-N 3.29Å; G214-D216 PolarHBondContact O-N 3.43Å
217G80.7Confident89.8Confident26 Ų2636.8 Ų36.827%0.26822%0.22SC..  trans-84.5-174.3-175.100000114.8D211 G214 S221D211-G217 WeakPolarHBondContact OD1-CA 3.27Å; D211-G217 WeakPolarHBondContact OD2-CA 3.43Å; G214-G217 PolarHBondContact O-N 3.37Å; G217-S221 WeakPolarHBondContact CA-OG 3.25Å
218S84.6Confident89.5Confident52 Ų5237 Ų3736%0.36422%0.221SC..  trans-143.3-179.8178680000110.1D211 L220 S221 T222D211-S218 PolarHBondContact OD2-N 2.83Å; S218-L220 PolarHBondContact O-N 3.16Å; S218-L220 PolarHBondContact OG-N 3.04Å; S218-S221 PolarHBondContact N-OG 2.95Å; S218-S221 PolarHBondContact O-N 3.39Å; S218-S221 PolarHBondContact O-OG 3.08Å; S218-T222 PolarHBondContact O-N 2.99Å; S218-T222 PolarHBondContact O-OG1 2.85Å; S218-T222 VanDerWaalsContact O-OG1 3.06Å
219Y79.9Confident89.3Confident86 Ų8636.3 Ų36.334%0.33722%0.216SC..THydrogen-bonded Turntrans-56.5-20.9173.262.5-96.4000113.5D641Y219-D641 HydrophobicContact CD2-CB 3.83Å; Y219-D641 HydrophobicContact CE2-CB 3.23Å; Y219-D641 VanDerWaalsContact CE2-OD2 3.31Å; Y219-D641 WeakPolarHBondContact CE2-OD2 3.38Å; Y219-D641 PolarHBondContact OH-OD2 3.12Å
220L86.3Confident89.4Confident86 Ų8634.3 Ų34.345%0.4521%0.206SC..THydrogen-bonded Turntrans-73.9-25.6175.7-64.1176.6000113.5L154 S218L154-L220 HydrophobicContact CD1-CD1 4.45Å; L154-L220 HydrophobicContact CD2-CB 3.93Å; S218-L220 PolarHBondContact O-N 3.16Å; S218-L220 PolarHBondContact OG-N 3.04Å
221S92.2Very high89.3Confident0 Ų034.1 Ų34.10%020%0.204CC..THydrogen-bonded Turntrans-99.41.8176.450.20000113.2D211 L212 F213 G217 S218D211-S221 VanDerWaalsContact CG-OG 3.25Å; D211-S221 VanDerWaalsContact OD1-CB 3.26Å; D211-S221 WeakPolarHBondContact OD1-CB 3.46Å; D211-S221 PolarHBondContact OD1-OG 3.33Å; D211-S221 PolarHBondContact OD2-OG 2.97Å; L212-S221 PolarHBondContact N-O 3.39Å; F213-S221 WeakPolarHBondContact CD2-OG 3.4Å; G217-S221 WeakPolarHBondContact CA-OG 3.25Å; S218-S221 PolarHBondContact N-OG 2.95Å; S218-S221 PolarHBondContact O-N 3.39Å; S218-S221 PolarHBondContact O-OG 3.08Å
222T93.3Very high89.1Confident22 Ų2233 Ų3314%0.13520%0.198CC..BIsolated β-bridgetrans-84.6124.4179.4-590000111.2D209 L210 S218D209-T222 HydrophobicContact CB-CG2 4.45Å; L210-T222 WeakPolarHBondContact O-CA 3.46Å; S218-T222 PolarHBondContact O-N 2.99Å; S218-T222 PolarHBondContact O-OG1 2.85Å; S218-T222 VanDerWaalsContact O-OG1 3.06Å
223I94.8Very high89Confident0 Ų033 Ų330%020%0.198CC..  trans-78.9132.8176.4-64.1-61.9000110.7V157 I160 Q161 V164 L207 D209 L210 L212 V225V157-I223 HydrophobicContact CG1-CD1 4.03Å; I160-I223 HydrophobicContact CB-CD1 4.22Å; I160-I223 HydrophobicContact CG2-CD1 3.88Å; I160-I223 HydrophobicContact CG2-CG1 4.19Å; Q161-I223 HydrophobicContact CB-CD1 3.93Å; V164-I223 HydrophobicContact CG2-CG2 3.86Å; L207-I223 HydrophobicContact CB-CG2 4.03Å; D209-I223 WeakPolarHBondContact CA-O 3.38Å; D209-I223 PolarHBondContact N-O 3.48Å; L210-I223 PolarHBondContact O-N 2.97Å; L212-I223 HydrophobicContact CD1-CD1 3.63Å; L212-I223 HydrophobicContact CD1-CG1 3.53Å; L212-I223 HydrophobicContact CD2-CG1 4.29Å; L212-I223 HydrophobicContact CG-CD1 4.38Å; L212-I223 HydrophobicContact CG-CG1 3.76Å; I223-V225 HydrophobicContact CG2-CG2 4.25Å
224R91.8Very high89Confident32 Ų3231.2 Ų31.212%0.12119%0.19CC..  trans-110.2127.5178.4-61.3-61.9-170.5-172.5-3.5110.1Q161 D209 L510 Q639Q161-R224 PolarHBondContact NE2-O 2.97Å; D209-R224 VanDerWaalsContact CG-NH1 3.33Å; D209-R224 WeakPolarHBondContact OD1-CD 3.34Å; D209-R224 IonicContact OD1-CZ 3.1Å; D209-R224 IonicContact OD1-NE 2.76Å; D209-R224 IonicContact OD1-NH1 3Å; D209-R224 PolarHBondContact OD1-NH1 2.91Å; R224-L510 HydrophobicContact CB-CD1 4.19Å; R224-L510 HydrophobicContact CB-CD2 3.7Å; R224-L510 HydrophobicContact CG-CD1 4.19Å; R224-Q639 PolarHBondContact NH2-O 3.01Å
225V93.1Very high89.2Confident10 Ų1031.3 Ų31.36%0.06118%0.184CC..  trans-116.2141.1-178.1174.10000109.8V164 L204 L207 I223 L227V164-V225 HydrophobicContact CG1-CG2 3.94Å; L204-V225 HydrophobicContact CB-CG1 3.93Å; L204-V225 HydrophobicContact CD2-CG1 3.82Å; L204-V225 HydrophobicContact CD2-CG2 4.39Å; L204-V225 HydrophobicContact CG-CG1 4.41Å; L207-V225 HydrophobicContact CB-CG2 4.33Å; I223-V225 HydrophobicContact CG2-CG2 4.25Å; V225-L227 PolarHBondContact O-N 2.95Å
226S90.8Very high89.7Confident5 Ų526.2 Ų26.24%0.03514%0.142CC..  trans-76.9105.1172.7-166.80000110.2D228 E229 C230 R521S226-D228 PolarHBondContact O-N 3.29Å; S226-E229 PolarHBondContact O-N 2.7Å; S226-E229 VanDerWaalsContact O-N 3.08Å; S226-C230 PolarHBondContact O-N 2.99Å; S226-C230 VanDerWaalsContact O-N 3.14Å; S226-R521 VanDerWaalsContact CB-NH2 3.3Å; S226-R521 PolarHBondContact OG-NH2 3.3Å
227L89.3Confident90.4Very high12 Ų1220.9 Ų20.96%0.06311%0.113CC..Hα-helixtrans-62-30.8179.2-58.5-177.7000112.8T208 V225 E229 C230 E231 F529 S580T208-L227 HydrophobicContact CG2-CD2 4.05Å; V225-L227 PolarHBondContact O-N 2.95Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 3.24Å; L227-C230 PolarHBondContact O-N 3.39Å; L227-E231 PolarHBondContact O-N 2.55Å; L227-F529 HydrophobicContact CB-CB 3.8Å; L227-F529 HydrophobicContact CB-CG 4.18Å; L227-F529 HydrophobicContact CD1-CB 4.24Å; L227-S580 WeakPolarHBondContact CD1-OG 3.45Å
228D88.9Confident91Very high4 Ų422.7 Ų22.72%0.02111%0.114CC..Hα-helixtrans-60.1-38175.1-65.7-86.4000111.8S226 Q232 G527 I528 F529 S530S226-D228 PolarHBondContact O-N 3.29Å; D228-Q232 WeakPolarHBondContact O-CG 3.36Å; D228-Q232 PolarHBondContact O-N 2.94Å; D228-G527 WeakPolarHBondContact OD1-CA 3.23Å; D228-G527 WeakPolarHBondContact OD2-CA 3.3Å; D228-I528 PolarHBondContact OD1-N 3.07Å; D228-F529 HydrophobicContact CB-CD2 4.38Å; D228-F529 WeakPolarHBondContact OD1-CD2 3.49Å; D228-F529 PolarHBondContact OD1-N 3.43Å; D228-S530 PolarHBondContact OD2-N 3.5Å; D228-S530 PolarHBondContact OD2-OG 3.04Å
229E90.8Very high91.3Very high22 Ų2222.1 Ų22.110%0.10311%0.11CC..Hα-helixtrans-77.3-38.9178.4-57.2-58.9142.700111.1E168 H169 Y171 S226 L227 E231 Q232 C233E168-E229 HydrophobicContact CB-CB 3.91Å; E168-E229 HydrophobicContact CB-CG 4.18Å; E168-E229 HydrophobicContact CG-CB 4.4Å; E168-E229 HydrophobicContact CG-CG 4.14Å; H169-E229 IonicContact CD2-OE2 3Å; Y171-E229 VanDerWaalsContact CE1-OE2 3.25Å; Y171-E229 WeakPolarHBondContact CE1-OE2 3.34Å; Y171-E229 PolarHBondContact OH-OE2 3.48Å; S226-E229 PolarHBondContact O-N 2.7Å; S226-E229 VanDerWaalsContact O-N 3.08Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 3.24Å; E229-E231 VanDerWaalsContact C-N 3.27Å; E229-E231 PolarHBondContact O-N 2.86Å; E229-Q232 WeakPolarHBondContact O-CB 3.13Å; E229-Q232 PolarHBondContact O-N 3.43Å; E229-C233 PolarHBondContact O-N 3.46Å
230C92.1Very high92Very high10 Ų1018.2 Ų18.27%0.0689%0.094CC..Hα-helixtrans-57.9-40.2175.4-172.20000112.2E205 S226 L227 Q232 C233 N234E205-C230 WeakPolarHBondContact CG-SG 3.18Å; S226-C230 PolarHBondContact O-N 2.99Å; S226-C230 VanDerWaalsContact O-N 3.14Å; L227-C230 PolarHBondContact O-N 3.39Å; C230-Q232 VanDerWaalsContact C-N 3.34Å; C230-C233 WeakPolarHBondContact O-CB 3.2Å; C230-C233 PolarHBondContact O-N 3.19Å; C230-N234 PolarHBondContact O-N 2.85Å
231E90.3Very high92.5Very high22 Ų2214.8 Ų14.810%0.1038%0.077CC..Hα-helixtrans-70.9-29176.5-178.456.6-169.200112.4L227 E229 N234 I235 F529 Y573 A577L227-E231 PolarHBondContact O-N 2.55Å; E229-E231 VanDerWaalsContact C-N 3.27Å; E229-E231 PolarHBondContact O-N 2.86Å; E231-N234 WeakPolarHBondContact O-CB 3.25Å; E231-N234 PolarHBondContact O-N 3.14Å; E231-N234 WeakPolarHBondContact OE2-CB 3.34Å; E231-N234 PolarHBondContact OE2-ND2 3.2Å; E231-I235 HydrophobicContact CG-CD1 4.29Å; E231-I235 VanDerWaalsContact O-CG1 3.3Å; E231-I235 WeakPolarHBondContact O-CG1 3.37Å; E231-I235 PolarHBondContact O-N 3.41Å; E231-F529 HydrophobicContact CB-CE2 4.26Å; E231-F529 HydrophobicContact CG-CE2 4.38Å; E231-Y573 HydrophobicContact CG-CE2 4.11Å; E231-Y573 WeakPolarHBondContact CG-OH 3.46Å; E231-A577 HydrophobicContact CG-CB 3.87Å
232Q91.1Very high92.7Very high7 Ų717.1 Ų17.13%0.0339%0.092CC..Hα-helixtrans-66.4-41171.6-66.9-68.9-2700111.5Y171 D228 E229 C230 N234 I235 A236 D969Y171-Q232 HydrophobicContact CD1-CB 3.63Å; Y171-Q232 HydrophobicContact CD2-CB 4.17Å; Y171-Q232 HydrophobicContact CE1-CB 3.51Å; Y171-Q232 HydrophobicContact CE1-CG 4.25Å; Y171-Q232 HydrophobicContact CE2-CB 4.03Å; Y171-Q232 HydrophobicContact CE2-CG 4.47Å; Y171-Q232 HydrophobicContact CG-CB 3.96Å; D228-Q232 WeakPolarHBondContact O-CG 3.36Å; D228-Q232 PolarHBondContact O-N 2.94Å; E229-Q232 WeakPolarHBondContact O-CB 3.13Å; E229-Q232 PolarHBondContact O-N 3.43Å; C230-Q232 VanDerWaalsContact C-N 3.34Å; Q232-N234 VanDerWaalsContact C-N 3.28Å; Q232-N234 PolarHBondContact O-N 2.82Å; Q232-I235 PolarHBondContact O-N 3.32Å; Q232-A236 WeakPolarHBondContact O-CB 3.26Å; Q232-A236 PolarHBondContact O-N 2.96Å; Q232-D969 PolarHBondContact NE2-OD1 3.15Å
233C94.2Very high92.9Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-58.8-40.8170.2-66.30000111.7V197 K201 E229 C230 A236 V237V197-C233 HydrophobicContact CG1-CB 3.85Å; K201-C233 HydrophobicContact CB-CB 3.87Å; K201-C233 HydrophobicContact CG-CB 4.42Å; E229-C233 PolarHBondContact O-N 3.46Å; C230-C233 WeakPolarHBondContact O-CB 3.2Å; C230-C233 PolarHBondContact O-N 3.19Å; C233-A236 PolarHBondContact O-N 3.28Å; C233-V237 VanDerWaalsContact O-CG2 3.28Å; C233-V237 WeakPolarHBondContact O-CG2 3.26Å; C233-V237 PolarHBondContact O-N 3.11Å
234N93.9Very high93Very high11 Ų1117.9 Ų17.96%0.0599%0.092CC..Hα-helixtrans-62.1-46.4176.5-172.137.2000112.4K201 C230 E231 Q232 V237 K238K201-N234 HydrophobicContact CD-CB 4.03Å; K201-N234 WeakPolarHBondContact CE-OD1 3.31Å; C230-N234 PolarHBondContact O-N 2.85Å; E231-N234 WeakPolarHBondContact O-CB 3.25Å; E231-N234 PolarHBondContact O-N 3.14Å; E231-N234 WeakPolarHBondContact OE2-CB 3.34Å; E231-N234 PolarHBondContact OE2-ND2 3.2Å; Q232-N234 VanDerWaalsContact C-N 3.28Å; Q232-N234 PolarHBondContact O-N 2.82Å; N234-V237 PolarHBondContact O-N 3.45Å; N234-K238 WeakPolarHBondContact O-CG 3.34Å; N234-K238 PolarHBondContact O-N 2.92Å; N234-K238 WeakPolarHBondContact OD1-CE 3.22Å
235I91.3Very high93.2Very high31 Ų3116.3 Ų16.316%0.1599%0.087CC..Hα-helixtrans-62.2-44.4177.2-64.5162.7000110.4E231 Q232 K238 S239 V972 L973E231-I235 HydrophobicContact CG-CD1 4.29Å; E231-I235 VanDerWaalsContact O-CG1 3.3Å; E231-I235 WeakPolarHBondContact O-CG1 3.37Å; E231-I235 PolarHBondContact O-N 3.41Å; Q232-I235 PolarHBondContact O-N 3.32Å; I235-K238 PolarHBondContact O-N 2.88Å; I235-S239 WeakPolarHBondContact O-CB 3.5Å; I235-S239 PolarHBondContact O-N 3.43Å; I235-S239 PolarHBondContact O-OG 3.2Å; I235-V972 HydrophobicContact CB-CG1 4.04Å; I235-V972 HydrophobicContact CG2-CG1 3.73Å; I235-L973 HydrophobicContact CG2-CD2 3.53Å; I235-L973 HydrophobicContact CG2-CG 4.48Å
236A92.8Very high93.2Very high0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-57.1-53.1177.400000111.4V197 Q232 C233 K238 S239 M240 V972V197-A236 HydrophobicContact CG1-CB 3.96Å; Q232-A236 WeakPolarHBondContact O-CB 3.26Å; Q232-A236 PolarHBondContact O-N 2.96Å; C233-A236 PolarHBondContact O-N 3.28Å; A236-K238 PolarHBondContact O-N 3.46Å; A236-S239 PolarHBondContact O-N 3.29Å; A236-S239 VanDerWaalsContact O-N 3.1Å; A236-S239 PolarHBondContact O-OG 2.66Å; A236-M240 VanDerWaalsContact O-CG 3.32Å; A236-M240 WeakPolarHBondContact O-CG 3.43Å; A236-M240 PolarHBondContact O-N 2.86Å; A236-V972 HydrophobicContact CB-CG1 3.84Å
237V96.4Very high93.4Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-56.7-48.3178.9170.80000111.1T194 V197 C233 N234 S239 M240 L241 V265T194-V237 HydrophobicContact CG2-CG1 4.44Å; T194-V237 HydrophobicContact CG2-CG2 4.5Å; V197-V237 HydrophobicContact CB-CG2 4.25Å; V197-V237 HydrophobicContact CG1-CG2 4Å; C233-V237 VanDerWaalsContact O-CG2 3.28Å; C233-V237 WeakPolarHBondContact O-CG2 3.26Å; C233-V237 PolarHBondContact O-N 3.11Å; N234-V237 PolarHBondContact O-N 3.45Å; V237-S239 VanDerWaalsContact C-N 3.28Å; V237-S239 PolarHBondContact O-N 3.01Å; V237-M240 PolarHBondContact O-N 3.48Å; V237-L241 HydrophobicContact CG1-CD1 3.59Å; V237-L241 HydrophobicContact CG1-CG 4.07Å; V237-L241 WeakPolarHBondContact O-CG 3.22Å; V237-L241 PolarHBondContact O-N 2.79Å; V237-V265 HydrophobicContact CG1-CG2 3.94Å
238K93Very high93.7Very high65 Ų6518 Ų1828%0.28310%0.095SC..Hα-helixtrans-60.9-35.9177.9-74178.5178.7179.60113.2N234 I235 A236 L270N234-K238 WeakPolarHBondContact O-CG 3.34Å; N234-K238 PolarHBondContact O-N 2.92Å; N234-K238 WeakPolarHBondContact OD1-CE 3.22Å; I235-K238 PolarHBondContact O-N 2.88Å; A236-K238 PolarHBondContact O-N 3.46Å; K238-L270 HydrophobicContact CB-CD2 4.45Å; K238-L270 HydrophobicContact CG-CD2 4.25Å
239S90.9Very high93.9Very high39 Ų3918.7 Ų18.727%0.27310%0.098SC..Hα-helixtrans-78.1-23-178.976.20000113.7I235 A236 V237 V972I235-S239 WeakPolarHBondContact O-CB 3.5Å; I235-S239 PolarHBondContact O-N 3.43Å; I235-S239 PolarHBondContact O-OG 3.2Å; A236-S239 PolarHBondContact O-N 3.29Å; A236-S239 VanDerWaalsContact O-N 3.1Å; A236-S239 PolarHBondContact O-OG 2.66Å; V237-S239 VanDerWaalsContact C-N 3.28Å; V237-S239 PolarHBondContact O-N 3.01Å; S239-V972 PolarHBondContact OG-O 2.88Å
240M94.3Very high94.3Very high4 Ų417.7 Ų17.72%0.029%0.093CC..Hα-helixtrans-95.9-42.5-176-67.4174.474.600111.9L192 T194 A236 V237 R243 Q974L192-M240 HydrophobicContact CB-CE 4.39Å; L192-M240 HydrophobicContact CD2-CE 4.21Å; L192-M240 HydrophobicContact CD2-SD 3.85Å; L192-M240 HydrophobicContact CG-CE 4.13Å; L192-M240 HydrophobicContact CG-SD 4.24Å; L192-M240 VanDerWaalsContact O-CE 3.25Å; L192-M240 WeakPolarHBondContact O-CE 3.47Å; T194-M240 HydrophobicContact CG2-CB 4.23Å; T194-M240 VanDerWaalsContact OG1-CB 3.25Å; T194-M240 WeakPolarHBondContact OG1-CB 3.08Å; T194-M240 VanDerWaalsContact OG1-CE 3.24Å; T194-M240 WeakPolarHBondContact OG1-CE 3.28Å; A236-M240 VanDerWaalsContact O-CG 3.32Å; A236-M240 WeakPolarHBondContact O-CG 3.43Å; A236-M240 PolarHBondContact O-N 2.86Å; V237-M240 PolarHBondContact O-N 3.48Å; M240-R243 WeakPolarHBondContact O-CA 3.45Å; M240-R243 WeakPolarHBondContact O-CB 3.46Å; M240-R243 PolarHBondContact O-N 3.23Å; M240-Q974 HydrophobicContact CG-CG 3.85Å
241L97.5Very high94.5Very high14 Ų1417.3 Ų17.37%0.0739%0.09CC..THydrogen-bonded Turntrans-55.6139.8-177.2-72.8177.7000112.7T194 V237 R243 L254 L258 V265 L270 T274T194-L241 HydrophobicContact CG2-CD2 3.68Å; T194-L241 HydrophobicContact CG2-CG 3.94Å; V237-L241 HydrophobicContact CG1-CD1 3.59Å; V237-L241 HydrophobicContact CG1-CG 4.07Å; V237-L241 WeakPolarHBondContact O-CG 3.22Å; V237-L241 PolarHBondContact O-N 2.79Å; L241-R243 VanDerWaalsContact C-N 3.33Å; L241-L254 HydrophobicContact CD2-CD1 4.13Å; L241-L254 HydrophobicContact CD2-CD2 3.69Å; L241-L254 HydrophobicContact CD2-CG 4.48Å; L241-L258 HydrophobicContact CD1-CD2 4.48Å; L241-V265 HydrophobicContact CD1-CG1 4.35Å; L241-V265 HydrophobicContact CD1-CG2 3.45Å; L241-V265 VanDerWaalsContact CD1-CG2 3.45Å; L241-L270 HydrophobicContact CB-CD1 3.9Å; L241-L270 HydrophobicContact CB-CD2 4.16Å; L241-L270 HydrophobicContact CB-CG 4.14Å; L241-L270 HydrophobicContact CD1-CD2 4.09Å; L241-L270 HydrophobicContact CD1-CG 4.24Å; L241-T274 HydrophobicContact CD2-CG2 3.93Å
242P96.8Very high94.9Very high50 Ų5016.2 Ų16.233%0.3259%0.085SC..THydrogen-bonded Turncis-85.911.56.637.5-39.5000114.7L254 T274 A277P242-L254 VanDerWaalsContact O-CD1 3.32Å; P242-L254 WeakPolarHBondContact O-CD1 3.4Å; P242-T274 HydrophobicContact CB-CG2 3.88Å; P242-A277 HydrophobicContact CB-CB 3.97Å; P242-A277 HydrophobicContact CG-CB 4.28Å
243R96.6Very high95.2Very high35 Ų3515.9 Ų15.913%0.1328%0.084CC..  trans-77.2140.1179.7-175.5177.570.7-14912.8110.7T194 M240 L241 S245 K248 E249 Q974 H1224T194-R243 PolarHBondContact OG1-O 3.07Å; M240-R243 WeakPolarHBondContact O-CA 3.45Å; M240-R243 WeakPolarHBondContact O-CB 3.46Å; M240-R243 PolarHBondContact O-N 3.23Å; L241-R243 VanDerWaalsContact C-N 3.33Å; R243-S245 WeakPolarHBondContact CD-O 3.29Å; R243-S245 WeakPolarHBondContact CG-O 3.21Å; R243-K248 VanDerWaalsContact CG-O 3.28Å; R243-K248 WeakPolarHBondContact CG-O 3.49Å; R243-E249 WeakPolarHBondContact CA-O 3.34Å; R243-Q974 VanDerWaalsContact NH2-CG 3.32Å; R243-H1224 VanDerWaalsContact NH1-CG 3.31Å; R243-H1224 PolarHBondContact NH1-ND1 2.85Å
244E97.1Very high95.5Very high2 Ų215.9 Ų15.91%0.0098%0.084CC..  trans-86.3-45.2174.8172.757.4-168.800112.1N193 T194 T195 K248 D251 L254N193-E244 CarbonylContact C-O 3.5Å; N193-E244 WeakPolarHBondContact CA-O 3.36Å; N193-E244 WeakPolarHBondContact CB-OE1 3.29Å; T194-E244 WeakPolarHBondContact CB-OE2 3.49Å; T194-E244 PolarHBondContact N-O 3.28Å; T194-E244 PolarHBondContact OG1-O 3.13Å; T194-E244 VanDerWaalsContact OG1-O 3.06Å; T195-E244 WeakPolarHBondContact CB-OE1 3.49Å; T195-E244 WeakPolarHBondContact CG2-OE2 3.46Å; T195-E244 PolarHBondContact N-OE1 3.18Å; T195-E244 PolarHBondContact N-OE2 3.36Å; T195-E244 PolarHBondContact OG1-OE1 3.35Å; E244-K248 HydrophobicContact CB-CB 4.1Å; E244-K248 HydrophobicContact CG-CB 4.44Å; E244-K248 HydrophobicContact CG-CD 4.39Å; E244-K248 PolarHBondContact N-O 3.44Å; E244-K248 VanDerWaalsContact N-O 3.08Å; E244-D251 HydrophobicContact CB-CB 3.54Å; E244-D251 HydrophobicContact CG-CB 3.63Å; E244-L254 WeakPolarHBondContact OE2-CD2 3.2Å
245S95.4Very high95.7Very high0 Ų015.4 Ų15.40%08%0.081CC..BIsolated β-bridgetrans-158.3179.3-179.652.50000110.7E191 L192 R243 S247 K248E191-S245 PolarHBondContact OE2-OG 2.88Å; L192-S245 WeakPolarHBondContact O-CB 3.49Å; R243-S245 WeakPolarHBondContact CD-O 3.29Å; R243-S245 WeakPolarHBondContact CG-O 3.21Å; S245-S247 PolarHBondContact O-N 3.01Å; S245-K248 PolarHBondContact N-O 3.45Å; S245-K248 VanDerWaalsContact N-O 3.15Å; S245-K248 CarbonylContact O-C 3.54Å; S245-K248 PolarHBondContact O-N 3.42Å; S245-K248 VanDerWaalsContact O-O 3.06Å; S245-K248 WeakPolarHBondContact OG-CB 3.34Å; S245-K248 WeakPolarHBondContact OG-CG 3.31Å; S245-K248 PolarHBondContact OG-N 2.89Å; S245-K248 PolarHBondContact OG-NZ 3.11Å
246N93.3Very high96Very high50 Ų5014 Ų1427%0.2677%0.074SC..THydrogen-bonded Turntrans-59.3-35.7-179.8-76.7-18.9000113.1H1224 K1225N246-H1224 HydrophobicContact CB-CB 4.48Å; N246-H1224 PolarHBondContact O-N 3.28Å; N246-H1224 VanDerWaalsContact O-N 3.12Å; N246-H1224 PolarHBondContact OD1-CD2 2.82Å; N246-H1224 VanDerWaalsContact OD1-CD2 3.27Å; N246-K1225 HydrophobicContact CB-CB 4.34Å; N246-K1225 WeakPolarHBondContact O-CB 3.24Å; N246-K1225 PolarHBondContact O-N 3.47Å
247S94.5Very high96.2Very high2 Ų214 Ų141%0.0147%0.074CC..THydrogen-bonded Turntrans-93.9-6.7178.573.30000114.9K184 E191 S245 E1223K184-S247 WeakPolarHBondContact CB-OG 3.03Å; K184-S247 WeakPolarHBondContact CD-O 3.34Å; K184-S247 PolarHBondContact N-OG 2.91Å; E191-S247 VanDerWaalsContact CD-OG 3.28Å; E191-S247 VanDerWaalsContact OE1-CB 3.31Å; E191-S247 WeakPolarHBondContact OE1-CB 3.26Å; E191-S247 PolarHBondContact OE1-N 3.24Å; E191-S247 PolarHBondContact OE1-OG 3.35Å; E191-S247 WeakPolarHBondContact OE2-CB 3.49Å; E191-S247 PolarHBondContact OE2-OG 2.9Å; S245-S247 PolarHBondContact O-N 3.01Å; S247-E1223 WeakPolarHBondContact O-CG 3.23Å
248K95.7Very high96.2Very high11 Ų1114.3 Ų14.35%0.0488%0.076CC..BIsolated β-bridgetrans-127.9105.3-177.4-53.5177.7-162.2760111.1G182 K184 E191 R243 E244 S245 T250 F291G182-K248 PolarHBondContact O-NZ 3.37Å; K184-K248 HydrophobicContact CB-CG 4.48Å; E191-K248 IonicContact OE2-NZ 3.96Å; E191-K248 PolarHBondContact OE2-NZ 3.29Å; R243-K248 VanDerWaalsContact CG-O 3.28Å; R243-K248 WeakPolarHBondContact CG-O 3.49Å; E244-K248 HydrophobicContact CB-CB 4.1Å; E244-K248 HydrophobicContact CG-CB 4.44Å; E244-K248 HydrophobicContact CG-CD 4.39Å; E244-K248 PolarHBondContact N-O 3.44Å; E244-K248 VanDerWaalsContact N-O 3.08Å; S245-K248 PolarHBondContact N-O 3.45Å; S245-K248 VanDerWaalsContact N-O 3.15Å; S245-K248 CarbonylContact O-C 3.54Å; S245-K248 PolarHBondContact O-N 3.42Å; S245-K248 VanDerWaalsContact O-O 3.06Å; S245-K248 WeakPolarHBondContact OG-CB 3.34Å; S245-K248 WeakPolarHBondContact OG-CG 3.31Å; S245-K248 PolarHBondContact OG-N 2.89Å; S245-K248 PolarHBondContact OG-NZ 3.11Å; K248-T250 PolarHBondContact O-N 3.21Å; K248-F291 HydrophobicContact CD-CB 4.43Å; K248-F291 HydrophobicContact CD-CD1 3.88Å; K248-F291 HydrophobicContact CD-CD2 4.29Å; K248-F291 HydrophobicContact CD-CE1 4.19Å; K248-F291 HydrophobicContact CD-CG 3.93Å; K248-F291 HydrophobicContact CG-CD2 4.32Å; K248-F291 HydrophobicContact CG-CG 4.28Å
249E95Very high96.4Very high18 Ų1811.3 Ų11.38%0.0846%0.062CC..SBendtrans-68.7-17.3-176.359.7161-138.800115.3R243 K281 L292 G1222 E1223R243-E249 WeakPolarHBondContact CA-O 3.34Å; E249-K281 WeakPolarHBondContact OE1-CD 3.44Å; E249-K281 WeakPolarHBondContact OE1-CE 3.32Å; E249-K281 IonicContact OE1-NZ 2.88Å; E249-K281 PolarHBondContact OE1-NZ 3.33Å; E249-K281 IonicContact OE2-NZ 2.89Å; E249-K281 PolarHBondContact OE2-NZ 2.64Å; E249-L292 HydrophobicContact CG-CD1 4.24Å; E249-L292 WeakPolarHBondContact OE1-CD1 3.4Å; E249-G1222 WeakPolarHBondContact OE2-CA 3.45Å; E249-G1222 PolarHBondContact OE2-N 2.75Å; E249-E1223 HydrophobicContact CB-CG 4.49Å
250T97.3Very high96.7Very high1 Ų19.5 Ų9.51%0.0065%0.05CC..  trans-166.5160169.7-175.30000108.3K248 K281 L282 F291K248-T250 PolarHBondContact O-N 3.21Å; T250-K281 HydrophobicContact CG2-CB 4.12Å; T250-K281 HydrophobicContact CG2-CD 3.78Å; T250-L282 HydrophobicContact CG2-CD1 3.99Å; T250-L282 HydrophobicContact CG2-CD2 4.36Å; T250-L282 HydrophobicContact CG2-CG 4.1Å; T250-F291 WeakPolarHBondContact O-CB 3.47Å
251D98.2Very high96.8Very high1 Ų19.3 Ų9.31%0.0055%0.049CC..  trans-147.2141178.1-166.5-65.7000110.1W179 E244 G253 L254 R290 F291W179-D251 PolarHBondContact NE1-OD1 2.93Å; W179-D251 VanDerWaalsContact NE1-OD1 3.15Å; W179-D251 PolarHBondContact NE1-OD2 3.49Å; E244-D251 HydrophobicContact CB-CB 3.54Å; E244-D251 HydrophobicContact CG-CB 3.63Å; D251-G253 PolarHBondContact O-N 3.42Å; D251-G253 WeakPolarHBondContact OD1-CA 3.37Å; D251-G253 PolarHBondContact OD1-N 3.45Å; D251-L254 HydrophobicContact CB-CG 4.44Å; D251-L254 VanDerWaalsContact O-CB 3.24Å; D251-L254 WeakPolarHBondContact O-CB 3.38Å; D251-L254 WeakPolarHBondContact O-CD1 3.44Å; D251-L254 VanDerWaalsContact O-CG 3.3Å; D251-L254 WeakPolarHBondContact O-CG 3.34Å; D251-L254 PolarHBondContact O-N 3.17Å; D251-R290 CarbonylContact C-O 3.58Å; D251-R290 VanDerWaalsContact CA-O 3.25Å; D251-R290 WeakPolarHBondContact CA-O 3.16Å; D251-F291 VanDerWaalsContact OD2-CD1 3.29Å; D251-F291 WeakPolarHBondContact OD2-CD1 3.46Å
252A98.5Very high96.7Very high0 Ų08.7 Ų8.70%05%0.046CC..G310 helixtrans-68.3-24.7178.500000112.3L254 L255 I278 L282 C288 R289 R290 F326A252-L254 PolarHBondContact O-N 3.44Å; A252-L255 WeakPolarHBondContact O-CB 3.22Å; A252-L255 WeakPolarHBondContact O-CG 3.33Å; A252-L255 PolarHBondContact O-N 3.06Å; A252-L255 VanDerWaalsContact O-N 3.08Å; A252-I278 HydrophobicContact CB-CG2 4.41Å; A252-L282 HydrophobicContact CB-CD1 4.02Å; A252-L282 VanDerWaalsContact N-CD1 3.33Å; A252-C288 HydrophobicContact CB-CB 3.81Å; A252-R289 WeakPolarHBondContact CB-O 3.31Å; A252-R290 PolarHBondContact N-O 2.78Å; A252-F326 HydrophobicContact CB-CD1 3.65Å; A252-F326 HydrophobicContact CB-CD2 3.93Å; A252-F326 HydrophobicContact CB-CE1 3.41Å; A252-F326 VanDerWaalsContact CB-CE1 3.41Å; A252-F326 HydrophobicContact CB-CE2 3.71Å; A252-F326 HydrophobicContact CB-CG 3.91Å; A252-F326 HydrophobicContact CB-CZ 3.44Å; A252-F326 VanDerWaalsContact CB-CZ 3.44Å; A252-F326 VanDerWaalsContact O-CE1 3.32Å; A252-F326 WeakPolarHBondContact O-CE1 3.49Å
253G97.6Very high96.8Very high0 Ų07.1 Ų7.10%03%0.034CC..G310 helixtrans-58.6-21.7171.700000113.6T195 D251 L255 S256T195-G253 WeakPolarHBondContact CG2-O 3.45Å; D251-G253 PolarHBondContact O-N 3.42Å; D251-G253 WeakPolarHBondContact OD1-CA 3.37Å; D251-G253 PolarHBondContact OD1-N 3.45Å; G253-L255 PolarHBondContact O-N 3.1Å; G253-L255 VanDerWaalsContact O-N 3.14Å; G253-S256 VanDerWaalsContact O-CB 3.29Å; G253-S256 WeakPolarHBondContact O-CB 3.3Å; G253-S256 PolarHBondContact O-N 2.83Å; G253-S256 PolarHBondContact O-OG 3.42Å
254L98.7Very high96.7Very high0 Ų05.4 Ų5.40%03%0.027CC..G310 helixtrans-57.5-25.6172.5-69.3173.4000112.5T194 T195 L241 P242 E244 D251 A252 S256 I257 L258 T274 I278T194-L254 HydrophobicContact CG2-CD2 4.05Å; T195-L254 HydrophobicContact CG2-CD2 3.99Å; T195-L254 HydrophobicContact CG2-CG 4.36Å; L241-L254 HydrophobicContact CD2-CD1 4.13Å; L241-L254 HydrophobicContact CD2-CD2 3.69Å; L241-L254 HydrophobicContact CD2-CG 4.48Å; P242-L254 VanDerWaalsContact O-CD1 3.32Å; P242-L254 WeakPolarHBondContact O-CD1 3.4Å; E244-L254 WeakPolarHBondContact OE2-CD2 3.2Å; D251-L254 HydrophobicContact CB-CG 4.44Å; D251-L254 VanDerWaalsContact O-CB 3.24Å; D251-L254 WeakPolarHBondContact O-CB 3.38Å; D251-L254 WeakPolarHBondContact O-CD1 3.44Å; D251-L254 VanDerWaalsContact O-CG 3.3Å; D251-L254 WeakPolarHBondContact O-CG 3.34Å; D251-L254 PolarHBondContact O-N 3.17Å; A252-L254 PolarHBondContact O-N 3.44Å; L254-S256 PolarHBondContact O-N 3.4Å; L254-I257 HydrophobicContact CD2-CD1 4.01Å; L254-I257 HydrophobicContact CD2-CG1 4.44Å; L254-I257 WeakPolarHBondContact O-CG1 3.36Å; L254-I257 PolarHBondContact O-N 2.86Å; L254-L258 WeakPolarHBondContact O-CG 3.45Å; L254-L258 PolarHBondContact O-N 2.88Å; L254-T274 HydrophobicContact CD1-CG2 4.08Å; L254-I278 HydrophobicContact CB-CD1 3.78Å
255L98.5Very high96.6Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-55.3-33.6173.4-70.6171.6000112.1A252 G253 I257 L258 T259 I278 F326 W329 L330A252-L255 WeakPolarHBondContact O-CB 3.22Å; A252-L255 WeakPolarHBondContact O-CG 3.33Å; A252-L255 PolarHBondContact O-N 3.06Å; A252-L255 VanDerWaalsContact O-N 3.08Å; G253-L255 PolarHBondContact O-N 3.1Å; G253-L255 VanDerWaalsContact O-N 3.14Å; L255-I257 PolarHBondContact O-N 3.15Å; L255-L258 PolarHBondContact O-N 3.4Å; L255-T259 WeakPolarHBondContact O-CG2 3.35Å; L255-T259 PolarHBondContact O-N 3.38Å; L255-I278 HydrophobicContact CD2-CD1 4.2Å; L255-I278 HydrophobicContact CG-CD1 4.13Å; L255-F326 HydrophobicContact CD1-CD1 4.07Å; L255-W329 HydrophobicContact CB-CB 4.37Å; L255-W329 HydrophobicContact CB-CG 4.41Å; L255-W329 HydrophobicContact CD1-CB 4.17Å; L255-L330 HydrophobicContact CD1-CD2 4.11Å; L255-L330 HydrophobicContact CD1-CG 4.11Å; L255-L330 HydrophobicContact CD2-CD2 4.09Å
256S97.4Very high96.3Very high1 Ų17.3 Ų7.31%0.0074%0.039CC..Hα-helixtrans-62.6-24.2179.171.10000114.2G253 L254 G262G253-S256 VanDerWaalsContact O-CB 3.29Å; G253-S256 WeakPolarHBondContact O-CB 3.3Å; G253-S256 PolarHBondContact O-N 2.83Å; G253-S256 PolarHBondContact O-OG 3.42Å; L254-S256 PolarHBondContact O-N 3.4Å; S256-G262 VanDerWaalsContact O-CA 3.22Å; S256-G262 WeakPolarHBondContact O-CA 3.28Å; S256-G262 PolarHBondContact O-N 3.17Å
257I98Very high96.2Very high0 Ų08.2 Ų8.20%04%0.044CC..Hα-helixtrans-104.9-21.7178.465.5161.7000112.9T194 T195 M199 L254 L255 F263 S264T194-I257 HydrophobicContact CG2-CD1 4.16Å; T195-I257 WeakPolarHBondContact O-CG2 3.38Å; M199-I257 HydrophobicContact CB-CG2 4.26Å; M199-I257 HydrophobicContact CE-CG2 4.12Å; L254-I257 HydrophobicContact CD2-CD1 4.01Å; L254-I257 HydrophobicContact CD2-CG1 4.44Å; L254-I257 WeakPolarHBondContact O-CG1 3.36Å; L254-I257 PolarHBondContact O-N 2.86Å; L255-I257 PolarHBondContact O-N 3.15Å; I257-F263 PolarHBondContact O-N 2.87Å; I257-S264 PolarHBondContact O-N 3.04Å; I257-S264 PolarHBondContact O-OG 2.73Å
258L97.1Very high96.1Very high8 Ų812.7 Ų12.74%0.0427%0.068CC..Hα-helixtrans-75.2-39.5173.6-65-175.9000111.8L241 L254 L255 V265 I271 T274 R275 I278L241-L258 HydrophobicContact CD1-CD2 4.48Å; L254-L258 WeakPolarHBondContact O-CG 3.45Å; L254-L258 PolarHBondContact O-N 2.88Å; L255-L258 PolarHBondContact O-N 3.4Å; L258-V265 HydrophobicContact CD2-CB 4.46Å; L258-V265 HydrophobicContact CD2-CG2 3.83Å; L258-I271 HydrophobicContact CD2-CG1 4.3Å; L258-T274 HydrophobicContact CD1-CG2 3.77Å; L258-T274 HydrophobicContact CD2-CG2 4.29Å; L258-T274 HydrophobicContact CG-CG2 4.45Å; L258-R275 HydrophobicContact CD1-CB 4.45Å; L258-I278 HydrophobicContact CD1-CD1 4.18Å
259T96.1Very high96.1Very high1 Ų120 Ų201%0.00610%0.102CC..SBendtrans-122.6-160.6-178.8-166.40000111.3L255 P261 G262 F263 D333L255-T259 WeakPolarHBondContact O-CG2 3.35Å; L255-T259 PolarHBondContact O-N 3.38Å; T259-P261 CarbonylContact O-C 3.58Å; T259-G262 PolarHBondContact O-N 3.49Å; T259-F263 PolarHBondContact O-N 3.45Å; T259-D333 HydrophobicContact CG2-CB 3.84Å; T259-D333 WeakPolarHBondContact OG1-CA 3.44Å
260Y97Very high96.2Very high1 Ų120.3 Ų20.30%0.00410%0.104CC..THydrogen-bonded Turntrans-61.3132.4178.4-177-90.1000111.7L47 F263 W329 F336 L430 I444L47-Y260 HydrophobicContact CD1-CE1 3.95Å; L47-Y260 WeakPolarHBondContact CD2-OH 3.45Å; Y260-F263 HydrophobicContact CD2-CE2 4.03Å; Y260-F263 HydrophobicContact CG-CE2 4.44Å; Y260-W329 PolarHBondContact O-NE1 3.07Å; Y260-F336 HydrophobicContact CD2-CE2 4.27Å; Y260-F336 AromaticContact CD2-CZ 3.84Å; Y260-F336 HydrophobicContact CD2-CZ 3.84Å; Y260-F336 HydrophobicContact CG-CE2 4.01Å; Y260-F336 HydrophobicContact CG-CZ 4.06Å; Y260-L430 HydrophobicContact CD1-CD2 4.21Å; Y260-L430 HydrophobicContact CE1-CD2 3.76Å; Y260-I444 HydrophobicContact CD2-CG2 4.26Å; Y260-I444 HydrophobicContact CE1-CD1 4.23Å; Y260-I444 HydrophobicContact CE2-CG1 4.25Å; Y260-I444 HydrophobicContact CE2-CG2 3.88Å; Y260-I444 WeakPolarHBondContact OH-CD1 3.43Å; Y260-I444 WeakPolarHBondContact OH-CG1 3.36Å
261P96.5Very high96.2Very high1 Ų121 Ų211%0.00611%0.107CC..THydrogen-bonded Turncis-89.5-13.87.935.1-35.4000114.8Y44 V135 L138 I139 M199 T259 R449Y44-P261 HydrophobicContact CE1-CG 4.46Å; V135-P261 HydrophobicContact CG2-CG 4.33Å; L138-P261 HydrophobicContact CD2-CB 3.98Å; L138-P261 HydrophobicContact CD2-CG 4.24Å; L138-P261 WeakPolarHBondContact CD2-O 3.5Å; I139-P261 HydrophobicContact CD1-CB 3.77Å; I139-P261 HydrophobicContact CD1-CG 4.32Å; M199-P261 HydrophobicContact CE-CG 4.39Å; T259-P261 CarbonylContact O-C 3.58Å; P261-R449 PolarHBondContact O-NH1 3.03Å
262G96.6Very high96.1Very high0 Ų025 Ų250%013%0.126CC..THydrogen-bonded Turntrans-79.8-31.6-159.600000117.2A202 S256 T259 S264 R449A202-G262 WeakPolarHBondContact CB-O 3.4Å; S256-G262 VanDerWaalsContact O-CA 3.22Å; S256-G262 WeakPolarHBondContact O-CA 3.28Å; S256-G262 PolarHBondContact O-N 3.17Å; T259-G262 PolarHBondContact O-N 3.49Å; G262-S264 WeakPolarHBondContact O-CA 3.4Å; G262-S264 PolarHBondContact O-N 3.11Å; G262-S264 PolarHBondContact O-OG 2.72Å; G262-R449 VanDerWaalsContact O-CZ 3.27Å; G262-R449 PolarHBondContact O-NH1 3Å; G262-R449 PolarHBondContact O-NH2 3.09Å
263F97Very high96.1Very high17 Ų1727.8 Ų27.88%0.07515%0.146CC..  trans2553.8-179.9-59.5-69.2000114.5I257 T259 Y260 F336 R449 R450I257-F263 PolarHBondContact O-N 2.87Å; T259-F263 PolarHBondContact O-N 3.45Å; Y260-F263 HydrophobicContact CD2-CE2 4.03Å; Y260-F263 HydrophobicContact CG-CE2 4.44Å; F263-F336 HydrophobicContact CE1-CD1 4.15Å; F263-F336 HydrophobicContact CE1-CG 4.39Å; F263-F336 HydrophobicContact CE2-CD1 4.28Å; F263-F336 AromaticContact CE2-CE1 3.96Å; F263-F336 HydrophobicContact CE2-CE1 3.96Å; F263-F336 HydrophobicContact CE2-CZ 4.36Å; F263-F336 HydrophobicContact CZ-CB 4.48Å; F263-F336 AromaticContact CZ-CD1 3.42Å; F263-F336 HydrophobicContact CZ-CD1 3.42Å; F263-F336 VanDerWaalsContact CZ-CD1 3.42Å; F263-F336 HydrophobicContact CZ-CD2 4.3Å; F263-F336 AromaticContact CZ-CE1 3.54Å; F263-F336 HydrophobicContact CZ-CE1 3.54Å; F263-F336 HydrophobicContact CZ-CE2 4.42Å; F263-F336 AromaticContact CZ-CG 3.83Å; F263-F336 HydrophobicContact CZ-CG 3.83Å; F263-F336 HydrophobicContact CZ-CZ 4.06Å; F263-R449 HydrophobicContact CB-CB 4.19Å; F263-R449 WeakPolarHBondContact CB-O 3.32Å; F263-R449 HydrophobicContact CD2-CB 4.07Å; F263-R449 PolarHBondContact O-NH2 3.25Å; F263-R450 HydrophobicContact CD1-CB 4.19Å; F263-R450 HydrophobicContact CD2-CB 4.37Å; F263-R450 HydrophobicContact CE1-CB 3.87Å; F263-R450 HydrophobicContact CE2-CB 4.04Å; F263-R450 HydrophobicContact CG-CB 4.44Å; F263-R450 HydrophobicContact CZ-CB 3.81Å
264S95Very high96.1Very high0 Ų027.8 Ų27.80%015%0.146CC..  trans-93.8-20.2-164.5-45.10000111.6G198 K201 I257 G262G198-S264 WeakPolarHBondContact O-CB 3.49Å; G198-S264 PolarHBondContact O-OG 2.6Å; K201-S264 WeakPolarHBondContact CD-O 3.49Å; K201-S264 VanDerWaalsContact CE-O 3.22Å; K201-S264 WeakPolarHBondContact CE-O 3.43Å; K201-S264 PolarHBondContact NZ-O 3.37Å; I257-S264 PolarHBondContact O-N 3.04Å; I257-S264 PolarHBondContact O-OG 2.73Å; G262-S264 WeakPolarHBondContact O-CA 3.4Å; G262-S264 PolarHBondContact O-N 3.11Å; G262-S264 PolarHBondContact O-OG 2.72Å
265V95.3Very high96.1Very high3 Ų328.4 Ų28.42%0.01815%0.148CC..  trans-98.7137.1-177.9-171.20000108.9V237 L241 L258 L270 I271V237-V265 HydrophobicContact CG1-CG2 3.94Å; L241-V265 HydrophobicContact CD1-CG1 4.35Å; L241-V265 HydrophobicContact CD1-CG2 3.45Å; L241-V265 VanDerWaalsContact CD1-CG2 3.45Å; L258-V265 HydrophobicContact CD2-CB 4.46Å; L258-V265 HydrophobicContact CD2-CG2 3.83Å; V265-L270 HydrophobicContact CG1-CB 4.38Å; V265-L270 HydrophobicContact CG1-CD2 4.07Å; V265-L270 HydrophobicContact CG1-CG 4.35Å; V265-I271 HydrophobicContact CB-CD1 4.13Å; V265-I271 HydrophobicContact CB-CG1 3.69Å; V265-I271 HydrophobicContact CG1-CD1 4.25Å; V265-I271 HydrophobicContact CG1-CG1 3.64Å
266T89.7Confident96.1Very high39 Ų3931 Ų3124%0.23917%0.166CC..  trans-106.6-8.4-178.669.70000113.3V452T266-V452 HydrophobicContact CG2-CG1 4.3Å; T266-V452 HydrophobicContact CG2-CG2 3.63Å
267D91.4Very high96.2Very high69 Ų6931.3 Ų31.337%0.36917%0.169SC..  trans-100.6110.5-175.9-179.8-16.4000109.4E269 L270 I271D267-E269 VanDerWaalsContact C-N 3.34Å; D267-E269 PolarHBondContact O-N 3.34Å; D267-E269 PolarHBondContact OD1-N 2.66Å; D267-L270 HydrophobicContact CB-CB 3.89Å; D267-L270 PolarHBondContact O-N 2.7Å; D267-L270 PolarHBondContact OD1-N 2.95Å; D267-I271 VanDerWaalsContact O-CG1 3.29Å; D267-I271 WeakPolarHBondContact O-CG1 3.32Å; D267-I271 PolarHBondContact O-N 3.23Å
268D92.1Very high96.2Very high95 Ų9531.4 Ų31.451%0.50817%0.169SC..Hα-helixtrans-62.6-36.7-176.5-72.2-25.4000113.1L270 I271 E272 T453D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact O-N 3.29Å; D268-I271 PolarHBondContact O-N 3.48Å; D268-E272 WeakPolarHBondContact O-CB 3.37Å; D268-E272 PolarHBondContact O-N 3.41Å; D268-T453 VanDerWaalsContact OD1-CB 3.23Å; D268-T453 WeakPolarHBondContact OD1-CB 3.29Å; D268-T453 WeakPolarHBondContact OD1-CG2 3.38Å
269E95.2Very high96.3Very high164 Ų16433.1 Ų33.177%0.76618%0.178SC*.Hα-helixtrans-67.5-38.1177.7-66-173.3178.200110.6D267 S273D267-E269 VanDerWaalsContact C-N 3.34Å; D267-E269 PolarHBondContact O-N 3.34Å; D267-E269 PolarHBondContact OD1-N 2.66Å; E269-S273 VanDerWaalsContact O-CB 3.3Å; E269-S273 WeakPolarHBondContact O-CB 3.35Å; E269-S273 PolarHBondContact O-N 3.46Å; E269-S273 PolarHBondContact O-OG 3.49Å
270L96.3Very high96.3Very high26 Ų2641.8 Ų41.814%0.13621%0.211CC..Hα-helixtrans-69.1-39.8175.7-173.459.8000111.9K238 L241 V265 D267 D268 S273 T274K238-L270 HydrophobicContact CB-CD2 4.45Å; K238-L270 HydrophobicContact CG-CD2 4.25Å; L241-L270 HydrophobicContact CB-CD1 3.9Å; L241-L270 HydrophobicContact CB-CD2 4.16Å; L241-L270 HydrophobicContact CB-CG 4.14Å; L241-L270 HydrophobicContact CD1-CD2 4.09Å; L241-L270 HydrophobicContact CD1-CG 4.24Å; V265-L270 HydrophobicContact CG1-CB 4.38Å; V265-L270 HydrophobicContact CG1-CD2 4.07Å; V265-L270 HydrophobicContact CG1-CG 4.35Å; D267-L270 HydrophobicContact CB-CB 3.89Å; D267-L270 PolarHBondContact O-N 2.7Å; D267-L270 PolarHBondContact OD1-N 2.95Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact O-N 3.29Å; L270-S273 WeakPolarHBondContact CA-OG 3.39Å; L270-S273 PolarHBondContact O-OG 2.93Å; L270-S273 VanDerWaalsContact O-OG 3.09Å; L270-T274 VanDerWaalsContact O-CB 3.27Å; L270-T274 WeakPolarHBondContact O-CB 3.41Å; L270-T274 PolarHBondContact O-N 3.09Å; L270-T274 PolarHBondContact O-OG1 3.17Å
271I97.2Very high96.3Very high14 Ų1444 Ų447%0.07222%0.22CC..Hα-helixtrans-59.9-50.7174.7-69.3163.3000109.8L258 V265 D267 D268 T274 R275 T453L258-I271 HydrophobicContact CD2-CG1 4.3Å; V265-I271 HydrophobicContact CB-CD1 4.13Å; V265-I271 HydrophobicContact CB-CG1 3.69Å; V265-I271 HydrophobicContact CG1-CD1 4.25Å; V265-I271 HydrophobicContact CG1-CG1 3.64Å; D267-I271 VanDerWaalsContact O-CG1 3.29Å; D267-I271 WeakPolarHBondContact O-CG1 3.32Å; D267-I271 PolarHBondContact O-N 3.23Å; D268-I271 PolarHBondContact O-N 3.48Å; I271-T274 PolarHBondContact O-N 3.49Å; I271-R275 VanDerWaalsContact CG2-NH2 3.34Å; I271-R275 WeakPolarHBondContact O-CB 3.16Å; I271-R275 PolarHBondContact O-N 3.16Å; I271-T453 HydrophobicContact CD1-CG2 3.79Å
272E97.2Very high96.4Very high85 Ų8544 Ų4440%0.39722%0.22SC..Hα-helixtrans-65.6-45.9-177.5-177.547.3-132.400112.1D268 T274 R275 S276D268-E272 WeakPolarHBondContact O-CB 3.37Å; D268-E272 PolarHBondContact O-N 3.41Å; E272-T274 VanDerWaalsContact C-N 3.27Å; E272-T274 PolarHBondContact O-N 3.38Å; E272-R275 PolarHBondContact O-N 2.79Å; E272-R275 IonicContact OE2-CZ 2.85Å; E272-R275 IonicContact OE2-NH1 2.73Å; E272-R275 PolarHBondContact OE2-NH1 2.83Å; E272-S276 WeakPolarHBondContact O-CB 3.37Å; E272-S276 PolarHBondContact O-N 2.9Å; E272-S276 PolarHBondContact O-OG 3.15Å; E272-S276 PolarHBondContact OE1-OG 2.74Å
273S97.9Very high96.4Very high59 Ų5946 Ų4641%0.41323%0.231SC..Hα-helixtrans-62.6-34.4176.861.30000112.7E269 L270 A277E269-S273 VanDerWaalsContact O-CB 3.3Å; E269-S273 WeakPolarHBondContact O-CB 3.35Å; E269-S273 PolarHBondContact O-N 3.46Å; E269-S273 PolarHBondContact O-OG 3.49Å; L270-S273 WeakPolarHBondContact CA-OG 3.39Å; L270-S273 PolarHBondContact O-OG 2.93Å; L270-S273 VanDerWaalsContact O-OG 3.09Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.2Å
274T98.5Very high96.3Very high0 Ų045.7 Ų45.70%023%0.232CC..Hα-helixtrans-70.6-48.2175.3-56.60000111.7L241 P242 L254 L258 L270 I271 E272 S276 A277 I278L241-T274 HydrophobicContact CD2-CG2 3.93Å; P242-T274 HydrophobicContact CB-CG2 3.88Å; L254-T274 HydrophobicContact CD1-CG2 4.08Å; L258-T274 HydrophobicContact CD1-CG2 3.77Å; L258-T274 HydrophobicContact CD2-CG2 4.29Å; L258-T274 HydrophobicContact CG-CG2 4.45Å; L270-T274 VanDerWaalsContact O-CB 3.27Å; L270-T274 WeakPolarHBondContact O-CB 3.41Å; L270-T274 PolarHBondContact O-N 3.09Å; L270-T274 PolarHBondContact O-OG1 3.17Å; I271-T274 PolarHBondContact O-N 3.49Å; E272-T274 VanDerWaalsContact C-N 3.27Å; E272-T274 PolarHBondContact O-N 3.38Å; T274-S276 VanDerWaalsContact C-N 3.33Å; T274-S276 PolarHBondContact O-N 2.96Å; T274-A277 WeakPolarHBondContact O-CA 3.34Å; T274-A277 WeakPolarHBondContact O-CB 3.14Å; T274-A277 PolarHBondContact O-N 2.84Å; T274-I278 HydrophobicContact CG2-CD1 4.26Å; T274-I278 WeakPolarHBondContact O-CG1 2.89Å; T274-I278 PolarHBondContact O-N 2.97Å
275R98.2Very high96.3Very high14 Ų1452.5 Ų52.55%0.05326%0.258CS..Hα-helixtrans-55.9-49.4174.5-179.2-170.4-64.698.89.2110.9L258 I271 E272 A277 I278 I279 D333L258-R275 HydrophobicContact CD1-CB 4.45Å; I271-R275 VanDerWaalsContact CG2-NH2 3.34Å; I271-R275 WeakPolarHBondContact O-CB 3.16Å; I271-R275 PolarHBondContact O-N 3.16Å; E272-R275 PolarHBondContact O-N 2.79Å; E272-R275 IonicContact OE2-CZ 2.85Å; E272-R275 IonicContact OE2-NH1 2.73Å; E272-R275 PolarHBondContact OE2-NH1 2.83Å; R275-A277 VanDerWaalsContact C-N 3.25Å; R275-A277 PolarHBondContact O-N 3.02Å; R275-I278 PolarHBondContact O-N 2.89Å; R275-I278 VanDerWaalsContact O-N 3.12Å; R275-I279 HydrophobicContact CG-CD1 3.75Å; R275-I279 HydrophobicContact CG-CG1 4.43Å; R275-I279 WeakPolarHBondContact O-CG1 3.23Å; R275-I279 PolarHBondContact O-N 2.71Å; R275-D333 IonicContact CZ-OD1 3.08Å; R275-D333 IonicContact CZ-OD2 3.44Å; R275-D333 IonicContact NE-OD1 3.6Å; R275-D333 IonicContact NE-OD2 2.78Å; R275-D333 PolarHBondContact NE-OD2 3.06Å; R275-D333 IonicContact NH2-OD1 3.79Å; R275-D333 PolarHBondContact NH2-OD1 2.89Å; R275-D333 IonicContact NH2-OD2 3.73Å
276S98.5Very high96.4Very high54 Ų5453.5 Ų53.538%0.37826%0.262SS..Hα-helixtrans-57.6-37175.4-83.70000112.3E272 T274 R280E272-S276 WeakPolarHBondContact O-CB 3.37Å; E272-S276 PolarHBondContact O-N 2.9Å; E272-S276 PolarHBondContact O-OG 3.15Å; E272-S276 PolarHBondContact OE1-OG 2.74Å; T274-S276 VanDerWaalsContact C-N 3.33Å; T274-S276 PolarHBondContact O-N 2.96Å; S276-R280 WeakPolarHBondContact O-CB 3.39Å; S276-R280 PolarHBondContact O-N 3.47Å
277A98.3Very high96.8Very high8 Ų851.6 Ų51.67%0.06625%0.25CS..Hα-helixtrans-67.3-43174.900000112.6P242 S273 T274 R275 K281P242-A277 HydrophobicContact CB-CB 3.97Å; P242-A277 HydrophobicContact CG-CB 4.28Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.2Å; T274-A277 WeakPolarHBondContact O-CA 3.34Å; T274-A277 WeakPolarHBondContact O-CB 3.14Å; T274-A277 PolarHBondContact O-N 2.84Å; R275-A277 VanDerWaalsContact C-N 3.25Å; R275-A277 PolarHBondContact O-N 3.02Å; A277-K281 VanDerWaalsContact O-CB 3.24Å; A277-K281 WeakPolarHBondContact O-CB 3.41Å; A277-K281 WeakPolarHBondContact O-CG 3.39Å; A277-K281 PolarHBondContact O-N 3.06Å; A277-K281 VanDerWaalsContact O-N 3.08Å
278I98.7Very high97.1Very high1 Ų148.4 Ų48.41%0.00523%0.233CC..Hα-helixtrans-62.1-53175.6-64.7166000109.8A252 L254 L255 L258 T274 R275 R280 K281 L282A252-I278 HydrophobicContact CB-CG2 4.41Å; L254-I278 HydrophobicContact CB-CD1 3.78Å; L255-I278 HydrophobicContact CD2-CD1 4.2Å; L255-I278 HydrophobicContact CG-CD1 4.13Å; L258-I278 HydrophobicContact CD1-CD1 4.18Å; T274-I278 HydrophobicContact CG2-CD1 4.26Å; T274-I278 WeakPolarHBondContact O-CG1 2.89Å; T274-I278 PolarHBondContact O-N 2.97Å; R275-I278 PolarHBondContact O-N 2.89Å; R275-I278 VanDerWaalsContact O-N 3.12Å; I278-R280 PolarHBondContact O-N 3.33Å; I278-K281 PolarHBondContact O-N 2.84Å; I278-L282 HydrophobicContact CG2-CD1 4.34Å; I278-L282 WeakPolarHBondContact O-CA 3.3Å; I278-L282 VanDerWaalsContact O-CB 3.28Å; I278-L282 WeakPolarHBondContact O-CB 3.41Å; I278-L282 PolarHBondContact O-N 2.72Å
279I98.5Very high97.4Very high45 Ų4545.1 Ų45.123%0.23121%0.214CC..Hα-helixtrans-58.4-52.9-178.6-69.9170.3000110.4R275 K281 L283 L330 Y346R275-I279 HydrophobicContact CG-CD1 3.75Å; R275-I279 HydrophobicContact CG-CG1 4.43Å; R275-I279 WeakPolarHBondContact O-CG1 3.23Å; R275-I279 PolarHBondContact O-N 2.71Å; I279-K281 VanDerWaalsContact C-N 3.29Å; I279-K281 PolarHBondContact O-N 2.74Å; I279-L283 HydrophobicContact CG2-CB 4.41Å; I279-L283 HydrophobicContact CG2-CD2 3.9Å; I279-L283 WeakPolarHBondContact O-CB 3.49Å; I279-L283 PolarHBondContact O-N 2.78Å; I279-L330 HydrophobicContact CG1-CD2 4.46Å; I279-Y346 WeakPolarHBondContact CD1-OH 3.43Å
280R97.6Very high97.5Very high182 Ų18237.8 Ų37.869%0.68718%0.179SC*.Hα-helixtrans-63.2-33.8-176.4-177.9174.856.280.9-0.4113.3S276 I278S276-R280 WeakPolarHBondContact O-CB 3.39Å; S276-R280 PolarHBondContact O-N 3.47Å; I278-R280 PolarHBondContact O-N 3.33Å
281K96.5Very high97.5Very high48 Ų4836.7 Ų36.721%0.20917%0.173CC..Hα-helixtrans-101.4-23.7-172.9-67.6-174.9174.3-172.40114.6E249 T250 A277 I278 I279 R289 L292E249-K281 WeakPolarHBondContact OE1-CD 3.44Å; E249-K281 WeakPolarHBondContact OE1-CE 3.32Å; E249-K281 IonicContact OE1-NZ 2.88Å; E249-K281 PolarHBondContact OE1-NZ 3.33Å; E249-K281 IonicContact OE2-NZ 2.89Å; E249-K281 PolarHBondContact OE2-NZ 2.64Å; T250-K281 HydrophobicContact CG2-CB 4.12Å; T250-K281 HydrophobicContact CG2-CD 3.78Å; A277-K281 VanDerWaalsContact O-CB 3.24Å; A277-K281 WeakPolarHBondContact O-CB 3.41Å; A277-K281 WeakPolarHBondContact O-CG 3.39Å; A277-K281 PolarHBondContact O-N 3.06Å; A277-K281 VanDerWaalsContact O-N 3.08Å; I278-K281 PolarHBondContact O-N 2.84Å; I279-K281 VanDerWaalsContact C-N 3.29Å; I279-K281 PolarHBondContact O-N 2.74Å; K281-R289 VanDerWaalsContact O-CZ 3.25Å; K281-R289 PolarHBondContact O-NH1 3.01Å; K281-R289 PolarHBondContact O-NH2 3.23Å; K281-L292 WeakPolarHBondContact O-CD2 3.47Å
282L98.2Very high97.5Very high0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-126.4-22.8-168-57.1179.7000114.2T250 A252 I278 G284 C288 R289 R290 L292T250-L282 HydrophobicContact CG2-CD1 3.99Å; T250-L282 HydrophobicContact CG2-CD2 4.36Å; T250-L282 HydrophobicContact CG2-CG 4.1Å; A252-L282 HydrophobicContact CB-CD1 4.02Å; A252-L282 VanDerWaalsContact N-CD1 3.33Å; I278-L282 HydrophobicContact CG2-CD1 4.34Å; I278-L282 WeakPolarHBondContact O-CA 3.3Å; I278-L282 VanDerWaalsContact O-CB 3.28Å; I278-L282 WeakPolarHBondContact O-CB 3.41Å; I278-L282 PolarHBondContact O-N 2.72Å; L282-G284 PolarHBondContact O-N 3.16Å; L282-C288 HydrophobicContact CB-CB 4.36Å; L282-C288 CarbonylContact O-C 3.59Å; L282-C288 VanDerWaalsContact O-CA 3.3Å; L282-C288 WeakPolarHBondContact O-CA 3.39Å; L282-R289 HydrophobicContact CD2-CB 4.28Å; L282-R289 PolarHBondContact O-N 3.08Å; L282-R290 WeakPolarHBondContact CD1-O 3.41Å; L282-L292 HydrophobicContact CD2-CD2 3.8Å; L282-L292 HydrophobicContact CD2-CG 4.21Å
283L97.4Very high97.4Very high44 Ų4434 Ų3423%0.2316%0.16CC..BIsolated β-bridgetrans-63.9128.9178.7-170.767.6000110.4I279 F327 L330 Y346I279-L283 HydrophobicContact CG2-CB 4.41Å; I279-L283 HydrophobicContact CG2-CD2 3.9Å; I279-L283 WeakPolarHBondContact O-CB 3.49Å; I279-L283 PolarHBondContact O-N 2.78Å; L283-F327 HydrophobicContact CD1-CD1 4.16Å; L283-F327 HydrophobicContact CD1-CE1 3.61Å; L283-L330 HydrophobicContact CD1-CD1 3.84Å; L283-Y346 HydrophobicContact CD1-CE1 4.48Å; L283-Y346 HydrophobicContact CD2-CE1 4.15Å
284G95.2Very high97.3Very high10 Ų1031.2 Ų31.210%0.10314%0.141CC..  trans-125.9-169.2174.200000111.5L282 G287L282-G284 PolarHBondContact O-N 3.16Å; G284-G287 CarbonylContact C-O 3.57Å; G284-G287 VanDerWaalsContact CA-O 3.32Å; G284-G287 WeakPolarHBondContact CA-O 3.36Å; G284-G287 PolarHBondContact N-O 3.32Å
285R95.1Very high97.1Very high142 Ų14231.2 Ų31.254%0.53614%0.141SC..SBendtrans-78.3-29.7-177-176.9177.3175.1-166.9-3.6112.5E322R285-E322 PolarHBondContact N-OE2 3.09Å
286Y97.3Very high96.9Very high24 Ų2432.1 Ų32.19%0.09415%0.145CC..SBendtrans-105.3-4.3-176.2-60-92000113.6E322 P324 V353 Y394 T412 R413Y286-E322 WeakPolarHBondContact CA-OE2 3.4Å; Y286-E322 WeakPolarHBondContact CB-OE2 3.5Å; Y286-E322 PolarHBondContact N-OE2 2.85Å; Y286-P324 WeakPolarHBondContact O-CA 3.25Å; Y286-P324 VanDerWaalsContact O-CG 3.31Å; Y286-P324 WeakPolarHBondContact O-CG 3.32Å; Y286-V353 HydrophobicContact CD1-CG1 4.02Å; Y286-Y394 AromaticContact CD1-CD1 3.48Å; Y286-Y394 HydrophobicContact CD1-CD1 3.48Å; Y286-Y394 VanDerWaalsContact CD1-CD1 3.48Å; Y286-Y394 HydrophobicContact CD1-CD2 4.17Å; Y286-Y394 AromaticContact CD1-CE1 3.74Å; Y286-Y394 HydrophobicContact CD1-CE1 3.74Å; Y286-Y394 HydrophobicContact CD1-CE2 4.39Å; Y286-Y394 AromaticContact CD1-CG 3.73Å; Y286-Y394 HydrophobicContact CD1-CG 3.73Å; Y286-Y394 AromaticContact CE1-CD1 4Å; Y286-Y394 HydrophobicContact CE1-CD1 4Å; Y286-Y394 HydrophobicContact CE1-CE1 4.12Å; Y286-Y394 HydrophobicContact CG-CD1 4.1Å; Y286-Y394 HydrophobicContact CG-CD2 4.41Å; Y286-Y394 AromaticContact CG-CG 3.93Å; Y286-Y394 HydrophobicContact CG-CG 3.93Å; Y286-T412 WeakPolarHBondContact OH-CA 3.36Å; Y286-T412 WeakPolarHBondContact OH-CG2 3.5Å; Y286-R413 HydrophobicContact CD2-CB 3.95Å; Y286-R413 HydrophobicContact CD2-CG 4.13Å; Y286-R413 HydrophobicContact CE2-CB 3.87Å; Y286-R413 HydrophobicContact CE2-CG 4.07Å; Y286-R413 HydrophobicContact CG-CB 4.36Å; Y286-R413 PolarHBondContact OH-N 3.12Å
287G97.3Very high96.6Very high0 Ų033.1 Ų33.10%014%0.141CC..SBendtrans150.8-161.3-179.600000110.7G284 W323 F327G284-G287 CarbonylContact C-O 3.57Å; G284-G287 VanDerWaalsContact CA-O 3.32Å; G284-G287 WeakPolarHBondContact CA-O 3.36Å; G284-G287 PolarHBondContact N-O 3.32Å; G287-W323 WeakPolarHBondContact CA-O 3.49Å; G287-F327 VanDerWaalsContact CA-CZ 3.42Å; G287-F327 VanDerWaalsContact N-CE2 3.29Å
288C98.2Very high96.5Very high1 Ų133 Ų331%0.00714%0.139CC..BIsolated β-bridgetrans-96.2144170.2-610000110.8A252 L282 W323 F326A252-C288 HydrophobicContact CB-CB 3.81Å; L282-C288 HydrophobicContact CB-CB 4.36Å; L282-C288 CarbonylContact O-C 3.59Å; L282-C288 VanDerWaalsContact O-CA 3.3Å; L282-C288 WeakPolarHBondContact O-CA 3.39Å; C288-W323 PolarHBondContact N-O 3.27Å; C288-W323 WeakPolarHBondContact O-CB 3.29Å; C288-W323 PolarHBondContact O-N 2.77Å; C288-F326 HydrophobicContact CB-CB 3.63Å; C288-F326 HydrophobicContact CB-CD2 3.63Å; C288-F326 HydrophobicContact CB-CE2 4.48Å; C288-F326 HydrophobicContact CB-CG 3.77Å
289R98Very high96.1Very high27 Ų2734.8 Ų34.810%0.10215%0.154CC..  trans-64.9147.1158.9-68.3171.8-80.21300.8108.7A252 K281 L282 E320 E322A252-R289 WeakPolarHBondContact CB-O 3.31Å; K281-R289 VanDerWaalsContact O-CZ 3.25Å; K281-R289 PolarHBondContact O-NH1 3.01Å; K281-R289 PolarHBondContact O-NH2 3.23Å; L282-R289 HydrophobicContact CD2-CB 4.28Å; L282-R289 PolarHBondContact O-N 3.08Å; R289-E320 HydrophobicContact CB-CB 4.43Å; R289-E320 VanDerWaalsContact CD-OE2 3.32Å; R289-E320 WeakPolarHBondContact CD-OE2 3.36Å; R289-E320 HydrophobicContact CG-CB 3.84Å; R289-E320 IonicContact NH1-OE1 3.32Å; R289-E320 PolarHBondContact NH1-OE1 2.89Å; R289-E320 IonicContact NH1-OE2 3.22Å; R289-E322 HydrophobicContact CG-CG 4.09Å
290R97.5Very high95.8Very high9 Ų936.6 Ų36.63%0.03416%0.158CC..SBendtrans-64.1-55.7179.4-61.6-170.8-58.6166.96.9110.5W179 D251 A252 L282 D294 W323 F326W179-R290 HydrophobicContact CD2-CG 4.46Å; W179-R290 HydrophobicContact CH2-CG 4.18Å; W179-R290 HydrophobicContact CZ2-CB 4.04Å; W179-R290 HydrophobicContact CZ2-CG 3.89Å; D251-R290 CarbonylContact C-O 3.58Å; D251-R290 VanDerWaalsContact CA-O 3.25Å; D251-R290 WeakPolarHBondContact CA-O 3.16Å; A252-R290 PolarHBondContact N-O 2.78Å; L282-R290 WeakPolarHBondContact CD1-O 3.41Å; R290-D294 IonicContact CZ-OD2 3.26Å; R290-D294 IonicContact NE-OD2 3.54Å; R290-D294 PolarHBondContact NE-OD2 3.25Å; R290-D294 VanDerWaalsContact NH2-CG 3.26Å; R290-D294 IonicContact NH2-OD1 2.65Å; R290-D294 PolarHBondContact NH2-OD1 2.99Å; R290-D294 IonicContact NH2-OD2 2.59Å; R290-D294 PolarHBondContact NH2-OD2 3.39Å; R290-W323 HydrophobicContact CG-CD2 4.27Å; R290-W323 HydrophobicContact CG-CG 4.24Å; R290-W323 HydrophobicContact CG-CZ2 4.47Å; R290-F326 HydrophobicContact CG-CE2 4.37Å
291F97.3Very high95.6Very high4 Ų429.2 Ų29.22%0.01813%0.131CC..SBendtrans-150.1167.8171.650.9-91.9000109.3W179 K184 K248 T250 D251 D294W179-F291 AromaticContact CD1-CD1 3.86Å; W179-F291 AromaticContact CD1-CE1 3.65Å; W179-F291 HydrophobicContact CG-CE1 4.36Å; W179-F291 AromaticContact NE1-CD1 3.99Å; K184-F291 HydrophobicContact CD-CD2 4.49Å; K184-F291 HydrophobicContact CG-CD2 4.17Å; K184-F291 HydrophobicContact CG-CE2 3.75Å; K248-F291 HydrophobicContact CD-CB 4.43Å; K248-F291 HydrophobicContact CD-CD1 3.88Å; K248-F291 HydrophobicContact CD-CD2 4.29Å; K248-F291 HydrophobicContact CD-CE1 4.19Å; K248-F291 HydrophobicContact CD-CG 3.93Å; K248-F291 HydrophobicContact CG-CD2 4.32Å; K248-F291 HydrophobicContact CG-CG 4.28Å; T250-F291 WeakPolarHBondContact O-CB 3.47Å; D251-F291 VanDerWaalsContact OD2-CD1 3.29Å; D251-F291 WeakPolarHBondContact OD2-CD1 3.46Å; F291-D294 HydrophobicContact CD2-CB 3.81Å; F291-D294 HydrophobicContact CE1-CB 4.32Å; F291-D294 HydrophobicContact CE2-CB 3.51Å; F291-D294 HydrophobicContact CG-CB 4.32Å; F291-D294 HydrophobicContact CZ-CB 3.8Å; F291-D294 WeakPolarHBondContact CZ-OD1 3.37Å; F291-D294 WeakPolarHBondContact O-CB 3.02Å
292L96.5Very high95.4Very high30 Ų3030.1 Ų30.116%0.15714%0.138CC..THydrogen-bonded Turntrans-65.4140.8179.9-64.2-171.4000111.8E249 K281 L282 D294 T1220E249-L292 HydrophobicContact CG-CD1 4.24Å; E249-L292 WeakPolarHBondContact OE1-CD1 3.4Å; K281-L292 WeakPolarHBondContact O-CD2 3.47Å; L282-L292 HydrophobicContact CD2-CD2 3.8Å; L282-L292 HydrophobicContact CD2-CG 4.21Å; L292-D294 PolarHBondContact O-N 3.42Å; L292-T1220 HydrophobicContact CB-CG2 4.27Å; L292-T1220 HydrophobicContact CD1-CG2 4.28Å
293R94.9Very high94.8Very high12 Ų1236 Ų365%0.04517%0.174CC..THydrogen-bonded Turntrans59.531.9178.8-61.3-175.3178.9168.78113.5G295 L313 D317 E320 T1216 K1217 M1219 T1220R293-G295 PolarHBondContact O-N 3.15Å; R293-L313 HydrophobicContact CB-CB 4.5Å; R293-L313 VanDerWaalsContact CB-O 3.31Å; R293-L313 WeakPolarHBondContact CB-O 3.42Å; R293-L313 WeakPolarHBondContact CD-O 3.45Å; R293-L313 WeakPolarHBondContact CG-O 3.44Å; R293-D317 HydrophobicContact CG-CB 4.06Å; R293-D317 IonicContact CZ-OD2 2.78Å; R293-D317 IonicContact NE-OD2 3.48Å; R293-D317 PolarHBondContact NE-OD2 3.38Å; R293-D317 VanDerWaalsContact NE-OD2 3.08Å; R293-D317 IonicContact NH2-OD2 3.1Å; R293-D317 PolarHBondContact NH2-OD2 2.97Å; R293-E320 PolarHBondContact N-OE1 3.48Å; R293-T1216 PolarHBondContact NH1-O 3Å; R293-T1216 PolarHBondContact NH2-O 2.83Å; R293-K1217 PolarHBondContact NH1-O 3.05Å; R293-M1219 PolarHBondContact NH1-O 3.27Å; R293-T1220 HydrophobicContact CG-CG2 4.36Å
294D95.5Very high94.6Very high1 Ų141.3 Ų41.31%0.00520%0.203CC..  trans-75.3116.6170.7-176.517.6000110.6R290 F291 L292 F296 E320R290-D294 IonicContact CZ-OD2 3.26Å; R290-D294 IonicContact NE-OD2 3.54Å; R290-D294 PolarHBondContact NE-OD2 3.25Å; R290-D294 VanDerWaalsContact NH2-CG 3.26Å; R290-D294 IonicContact NH2-OD1 2.65Å; R290-D294 PolarHBondContact NH2-OD1 2.99Å; R290-D294 IonicContact NH2-OD2 2.59Å; R290-D294 PolarHBondContact NH2-OD2 3.39Å; F291-D294 HydrophobicContact CD2-CB 3.81Å; F291-D294 HydrophobicContact CE1-CB 4.32Å; F291-D294 HydrophobicContact CE2-CB 3.51Å; F291-D294 HydrophobicContact CG-CB 4.32Å; F291-D294 HydrophobicContact CZ-CB 3.8Å; F291-D294 WeakPolarHBondContact CZ-OD1 3.37Å; F291-D294 WeakPolarHBondContact O-CB 3.02Å; L292-D294 PolarHBondContact O-N 3.42Å; D294-F296 VanDerWaalsContact C-N 3.33Å; D294-F296 WeakPolarHBondContact OD1-CB 3Å; D294-F296 PolarHBondContact OD1-N 3.35Å; D294-E320 WeakPolarHBondContact O-CG 3.41Å
295G93.9Very high94.3Very high0 Ų043.6 Ų43.60%021%0.208CC..  trans-79.4-13.118000000114.6R293 R297 T298 E301 Y308 F316R293-G295 PolarHBondContact O-N 3.15Å; G295-R297 PolarHBondContact O-N 3.21Å; G295-R297 VanDerWaalsContact O-N 3.15Å; G295-T298 WeakPolarHBondContact O-CB 3.44Å; G295-T298 WeakPolarHBondContact O-CG2 3.17Å; G295-T298 PolarHBondContact O-N 2.8Å; G295-T298 PolarHBondContact O-OG1 2.7Å; G295-E301 WeakPolarHBondContact O-CB 3.43Å; G295-Y308 VanDerWaalsContact C-OH 3.26Å; G295-F316 VanDerWaalsContact CA-CE2 3.45Å; G295-F316 VanDerWaalsContact CA-CG 3.42Å
296F94.5Very high93.8Very high32 Ų3242.6 Ų42.614%0.1421%0.213CC..THydrogen-bonded Turntrans-60.1119.8-168.9-176.4-107.4000112.5D294 T298 Y308 C321 W323D294-F296 VanDerWaalsContact C-N 3.33Å; D294-F296 WeakPolarHBondContact OD1-CB 3Å; D294-F296 PolarHBondContact OD1-N 3.35Å; F296-T298 PolarHBondContact O-N 2.97Å; F296-T298 VanDerWaalsContact O-N 3.17Å; F296-Y308 PolarHBondContact N-OH 3.39Å; F296-Y308 VanDerWaalsContact N-OH 3.14Å; F296-C321 PolarHBondContact O-SG 3.23Å; F296-W323 AromaticContact CD1-CZ2 3.87Å; F296-W323 HydrophobicContact CD1-CZ2 3.87Å; F296-W323 HydrophobicContact CE1-CH2 4.13Å; F296-W323 AromaticContact CE1-CZ2 3.83Å; F296-W323 HydrophobicContact CE1-CZ2 3.83Å
297R93Very high93.5Very high76 Ų7645.6 Ų45.629%0.28723%0.225SC..THydrogen-bonded Turntrans58.814.9-177.7-61.8-176.8175.8171.33.3115.8G295 E301 C321 E392 S395G295-R297 PolarHBondContact O-N 3.21Å; G295-R297 VanDerWaalsContact O-N 3.15Å; R297-E301 WeakPolarHBondContact CA-OE2 3.44Å; R297-E301 PolarHBondContact N-OE2 3.17Å; R297-C321 PolarHBondContact O-SG 3.29Å; R297-C321 VanDerWaalsContact O-SG 3.35Å; R297-E392 VanDerWaalsContact CZ-CD 3.46Å; R297-E392 IonicContact CZ-OE1 2.75Å; R297-E392 IonicContact CZ-OE2 3.29Å; R297-E392 VanDerWaalsContact CZ-OE2 3.26Å; R297-E392 IonicContact NH1-OE1 3.88Å; R297-E392 PolarHBondContact NH1-OE1 3.44Å; R297-E392 IonicContact NH1-OE2 3.97Å; R297-E392 PolarHBondContact NH1-OE2 3.14Å; R297-E392 VanDerWaalsContact NH2-CD 3.26Å; R297-E392 IonicContact NH2-OE1 3.51Å; R297-E392 PolarHBondContact NH2-OE1 3.32Å; R297-E392 IonicContact NH2-OE2 3.56Å; R297-E392 PolarHBondContact NH2-OE2 2.62Å; R297-S395 PolarHBondContact O-OG 3.05Å
298T94.7Very high93.2Very high5 Ų545.8 Ų45.83%0.03123%0.226CC..  trans-65149.4166.866.40000108.8G295 F296 R300 E301 F316G295-T298 WeakPolarHBondContact O-CB 3.44Å; G295-T298 WeakPolarHBondContact O-CG2 3.17Å; G295-T298 PolarHBondContact O-N 2.8Å; G295-T298 PolarHBondContact O-OG1 2.7Å; F296-T298 PolarHBondContact O-N 2.97Å; F296-T298 VanDerWaalsContact O-N 3.17Å; T298-R300 PolarHBondContact O-N 3.01Å; T298-E301 WeakPolarHBondContact O-CB 3.47Å; T298-E301 PolarHBondContact O-N 3.17Å; T298-E301 PolarHBondContact OG1-N 3.5Å; T298-F316 HydrophobicContact CG2-CD1 4.37Å; T298-F316 VanDerWaalsContact OG1-CD1 3.3Å; T298-F316 WeakPolarHBondContact OG1-CD1 3.24Å; T298-F316 WeakPolarHBondContact OG1-CE1 3.37Å
299A91.4Very high92.8Very high39 Ų3947.8 Ų47.832%0.32224%0.235SC..THydrogen-bonded Turntrans-64.1-9.417900000114.2L396 I398 I401A299-L396 WeakPolarHBondContact CB-O 3.43Å; A299-I398 HydrophobicContact CB-CB 3.98Å; A299-I398 HydrophobicContact CB-CG1 4.47Å; A299-I401 HydrophobicContact CB-CD1 4.03Å
300R92.5Very high92.2Very high82 Ų8248.3 Ų48.331%0.30924%0.242SC..THydrogen-bonded Turntrans-95.1-7.3173.1-73-176.1175.1170-3.3113.9T298 M315 F316 I319 I401T298-R300 PolarHBondContact O-N 3.01Å; R300-M315 PolarHBondContact NH1-O 3.03Å; R300-F316 HydrophobicContact CB-CD1 4.41Å; R300-F316 HydrophobicContact CB-CE1 4.13Å; R300-I319 HydrophobicContact CB-CD1 4.36Å; R300-I319 HydrophobicContact CG-CD1 4.05Å; R300-I401 HydrophobicContact CG-CD1 3.87Å; R300-I401 VanDerWaalsContact NH2-CG2 3.33Å
301E93.4Very high91.5Very high27 Ų2755 Ų5513%0.12627%0.267CS..  trans-67.4132.6178.7-168.1-179.4-148.800110.9R181 G295 R297 T298 V303 Y308R181-E301 IonicContact NH1-OE1 2.84Å; R181-E301 PolarHBondContact NH1-OE1 2.71Å; G295-E301 WeakPolarHBondContact O-CB 3.43Å; R297-E301 WeakPolarHBondContact CA-OE2 3.44Å; R297-E301 PolarHBondContact N-OE2 3.17Å; T298-E301 WeakPolarHBondContact O-CB 3.47Å; T298-E301 PolarHBondContact O-N 3.17Å; T298-E301 PolarHBondContact OG1-N 3.5Å; E301-V303 PolarHBondContact O-N 3.46Å; E301-Y308 HydrophobicContact CG-CE1 3.93Å; E301-Y308 PolarHBondContact OE1-OH 3.37Å
302D91.5Very high91.1Very high67 Ų6755.9 Ų55.936%0.35827%0.271SS..  trans-78.8102.9165.1-177.31.2000109.9N304 R305D302-N304 PolarHBondContact O-N 3.03Å; D302-N304 VanDerWaalsContact O-N 3.11Å; D302-N304 WeakPolarHBondContact OD1-CB 3.34Å; D302-N304 PolarHBondContact OD1-N 2.99Å; D302-N304 PolarHBondContact OD1-ND2 3Å; D302-N304 VanDerWaalsContact OD1-ND2 3.1Å; D302-R305 HydrophobicContact CB-CB 4.34Å; D302-R305 PolarHBondContact O-N 3.11Å
303V86.6Confident90.9Very high125 Ų12554.6 Ų54.676%0.75826%0.264SS*.THydrogen-bonded Turntrans-62.6-20.1-178.1-172.10000112.7E301 R305E301-V303 PolarHBondContact O-N 3.46Å; V303-R305 VanDerWaalsContact C-N 3.25Å; V303-R305 PolarHBondContact O-N 3.28Å
304N91.7Very high90.6Very high155 Ų15560.3 Ų60.383%0.82929%0.286SS*.THydrogen-bonded Turntrans-81.3-7.3178.6-52.6-66.5000112.7D302D302-N304 PolarHBondContact O-N 3.03Å; D302-N304 VanDerWaalsContact O-N 3.11Å; D302-N304 WeakPolarHBondContact OD1-CB 3.34Å; D302-N304 PolarHBondContact OD1-N 2.99Å; D302-N304 PolarHBondContact OD1-ND2 3Å; D302-N304 VanDerWaalsContact OD1-ND2 3.1Å
305R89.7Confident90.5Very high57 Ų5764.1 Ų64.122%0.21530%0.304CS..  trans-128.1120.5-174.5-167.5164.466.8153.9-3.1111.1D302 V303 Y307 E309 E312D302-R305 HydrophobicContact CB-CB 4.34Å; D302-R305 PolarHBondContact O-N 3.11Å; V303-R305 VanDerWaalsContact C-N 3.25Å; V303-R305 PolarHBondContact O-N 3.28Å; R305-Y307 VanDerWaalsContact C-N 3.34Å; R305-Y307 HydrophobicContact CG-CD1 3.66Å; R305-Y307 HydrophobicContact CG-CE1 3.55Å; R305-Y307 HydrophobicContact CG-CE2 4.46Å; R305-Y307 HydrophobicContact CG-CG 4.16Å; R305-Y307 WeakPolarHBondContact CG-O 3.48Å; R305-E309 VanDerWaalsContact NH1-CG 3.29Å; R305-E309 IonicContact NH1-OE1 3.56Å; R305-E309 PolarHBondContact NH1-OE1 2.74Å; R305-E312 IonicContact CZ-OE2 3.11Å; R305-E312 IonicContact NH2-OE1 3.79Å; R305-E312 PolarHBondContact NH2-OE1 3.26Å; R305-E312 IonicContact NH2-OE2 2.63Å; R305-E312 PolarHBondContact NH2-OE2 2.88Å
306L84.5Confident90.5Very high122 Ų12264.2 Ų64.264%0.63931%0.305SS*.SBendtrans-74.6-25.3-177.1-69.6173.3000113.5N186N186-L306 WeakPolarHBondContact CB-O 3.16Å
307Y90.6Very high90.4Very high87 Ų8766.3 Ų66.334%0.34132%0.318SS..SBendtrans-103.1158.5-177.473.2-91.1000111.9T185 N186 H187 R305 E309T185-Y307 CarbonylContact O-C 3.52Å; T185-Y307 WeakPolarHBondContact O-CA 3.47Å; N186-Y307 WeakPolarHBondContact O-CB 3.26Å; H187-Y307 AromaticContact CD2-CD2 3.93Å; H187-Y307 AromaticContact CE1-CD2 3.8Å; H187-Y307 AromaticContact NE2-CD2 3.32Å; H187-Y307 VanDerWaalsContact NE2-CD2 3.32Å; H187-Y307 WeakPolarHBondContact NE2-CD2 3.48Å; H187-Y307 AromaticContact NE2-CE2 3.88Å; H187-Y307 AromaticContact NE2-CG 3.92Å; R305-Y307 VanDerWaalsContact C-N 3.34Å; R305-Y307 HydrophobicContact CG-CD1 3.66Å; R305-Y307 HydrophobicContact CG-CE1 3.55Å; R305-Y307 HydrophobicContact CG-CE2 4.46Å; R305-Y307 HydrophobicContact CG-CG 4.16Å; R305-Y307 WeakPolarHBondContact CG-O 3.48Å; Y307-E309 WeakPolarHBondContact CE2-OE1 3.42Å
308Y91.7Very high90.4Very high4 Ų464.4 Ų64.42%0.01632%0.322CS..  trans-111.8136.4175-51.4-39.4000110.1R181 T185 N186 H187 G295 F296 E301 E312 L313 F316R181-Y308 PolarHBondContact NH1-OH 2.74Å; T185-Y308 PolarHBondContact O-N 3.1Å; N186-Y308 WeakPolarHBondContact ND2-CE2 3.47Å; N186-Y308 PolarHBondContact ND2-OH 2.85Å; H187-Y308 PolarHBondContact CE1-O 3.44Å; H187-Y308 VanDerWaalsContact CE1-O 3.26Å; G295-Y308 VanDerWaalsContact C-OH 3.26Å; F296-Y308 PolarHBondContact N-OH 3.39Å; F296-Y308 VanDerWaalsContact N-OH 3.14Å; E301-Y308 HydrophobicContact CG-CE1 3.93Å; E301-Y308 PolarHBondContact OE1-OH 3.37Å; Y308-E312 WeakPolarHBondContact CA-OE2 3.32Å; Y308-L313 HydrophobicContact CD2-CD2 3.81Å; Y308-L313 HydrophobicContact CG-CD2 4.42Å; Y308-F316 HydrophobicContact CD1-CE2 4.08Å; Y308-F316 HydrophobicContact CD1-CZ 4.16Å; Y308-F316 AromaticContact CD2-CE2 3.94Å; Y308-F316 HydrophobicContact CD2-CE2 3.94Å; Y308-F316 HydrophobicContact CE1-CE2 4.31Å; Y308-F316 HydrophobicContact CE1-CZ 4.27Å; Y308-F316 HydrophobicContact CE2-CE2 4.12Å; Y308-F316 AromaticContact CG-CE2 3.92Å; Y308-F316 HydrophobicContact CG-CE2 3.92Å; Y308-F316 HydrophobicContact CG-CZ 4.44Å
309E89.9Confident90.4Very high43 Ų4364.3 Ų64.320%0.20132%0.321CS..  trans-68.2145.2164.2-61.9-70.1173.500109.6R305 Y307 W311 E312R305-E309 VanDerWaalsContact NH1-CG 3.29Å; R305-E309 IonicContact NH1-OE1 3.56Å; R305-E309 PolarHBondContact NH1-OE1 2.74Å; Y307-E309 WeakPolarHBondContact CE2-OE1 3.42Å; E309-W311 HydrophobicContact CB-CD2 3.71Å; E309-W311 VanDerWaalsContact CB-CE2 3.5Å; E309-W311 HydrophobicContact CB-CE3 3.72Å; E309-W311 HydrophobicContact CB-CH2 3.39Å; E309-W311 HydrophobicContact CB-CZ2 3.36Å; E309-W311 HydrophobicContact CB-CZ3 3.56Å; E309-W311 VanDerWaalsContact CD-CH2 3.5Å; E309-W311 HydrophobicContact CG-CH2 3.35Å; E309-W311 HydrophobicContact CG-CZ2 3.4Å; E309-W311 VanDerWaalsContact CG-CZ2 3.4Å; E309-W311 HydrophobicContact CG-CZ3 3.98Å; E309-W311 PolarHBondContact O-N 3.26Å; E309-W311 WeakPolarHBondContact OE2-CH2 3.4Å; E309-E312 HydrophobicContact CB-CG 4.18Å; E309-E312 WeakPolarHBondContact CB-OE2 3.13Å; E309-E312 PolarHBondContact N-OE2 3.48Å; E309-E312 WeakPolarHBondContact O-CB 3.24Å; E309-E312 PolarHBondContact O-N 2.93Å
310P84.5Confident90.7Very high37 Ų3762.5 Ų62.524%0.2431%0.306CS..THydrogen-bonded Turntrans-55-32.4-173.6-28.635.4000114.6E1218P310-E1218 HydrophobicContact CB-CB 3.99Å; P310-E1218 VanDerWaalsContact CB-CD 3.49Å; P310-E1218 HydrophobicContact CB-CG 3.39Å; P310-E1218 WeakPolarHBondContact O-CA 3.37Å
311W82.2Confident90.9Very high150 Ų15058.6 Ų58.657%0.56829%0.291SS*.THydrogen-bonded Turntrans-74.3-24.5178.465.182.6000113.9E309 L313 R314E309-W311 HydrophobicContact CB-CD2 3.71Å; E309-W311 VanDerWaalsContact CB-CE2 3.5Å; E309-W311 HydrophobicContact CB-CE3 3.72Å; E309-W311 HydrophobicContact CB-CH2 3.39Å; E309-W311 HydrophobicContact CB-CZ2 3.36Å; E309-W311 HydrophobicContact CB-CZ3 3.56Å; E309-W311 VanDerWaalsContact CD-CH2 3.5Å; E309-W311 HydrophobicContact CG-CH2 3.35Å; E309-W311 HydrophobicContact CG-CZ2 3.4Å; E309-W311 VanDerWaalsContact CG-CZ2 3.4Å; E309-W311 HydrophobicContact CG-CZ3 3.98Å; E309-W311 PolarHBondContact O-N 3.26Å; E309-W311 WeakPolarHBondContact OE2-CH2 3.4Å; W311-L313 VanDerWaalsContact C-N 3.26Å; W311-L313 PolarHBondContact O-N 3.16Å; W311-R314 PolarHBondContact O-N 2.83Å
312E90.2Very high91.2Very high23 Ų2357.5 Ų57.511%0.10729%0.286CS..Hα-helixtrans-66.7-31.2179-69.7177.9121.500111.2R305 Y308 E309 R314 M315 F316R305-E312 IonicContact CZ-OE2 3.11Å; R305-E312 IonicContact NH2-OE1 3.79Å; R305-E312 PolarHBondContact NH2-OE1 3.26Å; R305-E312 IonicContact NH2-OE2 2.63Å; R305-E312 PolarHBondContact NH2-OE2 2.88Å; Y308-E312 WeakPolarHBondContact CA-OE2 3.32Å; E309-E312 HydrophobicContact CB-CG 4.18Å; E309-E312 WeakPolarHBondContact CB-OE2 3.13Å; E309-E312 PolarHBondContact N-OE2 3.48Å; E309-E312 WeakPolarHBondContact O-CB 3.24Å; E309-E312 PolarHBondContact O-N 2.93Å; E312-R314 PolarHBondContact O-N 2.88Å; E312-R314 VanDerWaalsContact O-N 3.16Å; E312-M315 WeakPolarHBondContact O-CA 3.32Å; E312-M315 VanDerWaalsContact O-CB 3.22Å; E312-M315 WeakPolarHBondContact O-CB 3.49Å; E312-M315 PolarHBondContact O-N 2.91Å; E312-F316 HydrophobicContact CB-CE2 4.11Å; E312-F316 HydrophobicContact CB-CZ 4.1Å; E312-F316 WeakPolarHBondContact O-CD2 3.42Å; E312-F316 PolarHBondContact O-N 3.32Å
313L91.5Very high91.5Very high2 Ų254.7 Ų54.71%0.0127%0.271CS..Hα-helixtrans-54.3-39.4179.8-64.1176.9000112.4K184 T185 R293 Y308 W311 M315 F316 E1218K184-L313 HydrophobicContact CG-CD2 4.29Å; T185-L313 HydrophobicContact CG2-CD1 3.84Å; R293-L313 HydrophobicContact CB-CB 4.5Å; R293-L313 VanDerWaalsContact CB-O 3.31Å; R293-L313 WeakPolarHBondContact CB-O 3.42Å; R293-L313 WeakPolarHBondContact CD-O 3.45Å; R293-L313 WeakPolarHBondContact CG-O 3.44Å; Y308-L313 HydrophobicContact CD2-CD2 3.81Å; Y308-L313 HydrophobicContact CG-CD2 4.42Å; W311-L313 VanDerWaalsContact C-N 3.26Å; W311-L313 PolarHBondContact O-N 3.16Å; L313-M315 VanDerWaalsContact C-N 3.26Å; L313-M315 PolarHBondContact O-N 3.46Å; L313-F316 PolarHBondContact O-N 2.87Å; L313-E1218 WeakPolarHBondContact CD1-O 3.49Å
314R90.1Very high92Very high133 Ų13348.8 Ų48.850%0.50224%0.235SC..Hα-helixtrans-67.3-28.2176.1-168.3177.2178.9176.10.6112.5W311 E312 F316 D317 K1217W311-R314 PolarHBondContact O-N 2.83Å; E312-R314 PolarHBondContact O-N 2.88Å; E312-R314 VanDerWaalsContact O-N 3.16Å; R314-F316 PolarHBondContact O-N 3.18Å; R314-D317 VanDerWaalsContact O-CB 3.31Å; R314-D317 WeakPolarHBondContact O-CB 3.39Å; R314-D317 PolarHBondContact O-N 3.16Å; R314-K1217 HydrophobicContact CB-CB 4.27Å; R314-K1217 WeakPolarHBondContact CB-O 3.48Å
315M91.6Very high92.3Very high80 Ų8041.4 Ų41.439%0.39420%0.195SC..Hα-helixtrans-71.1-18.8-178.7-59.4175.354.200112.8R300 E312 L313 I319R300-M315 PolarHBondContact NH1-O 3.03Å; E312-M315 WeakPolarHBondContact O-CA 3.32Å; E312-M315 VanDerWaalsContact O-CB 3.22Å; E312-M315 WeakPolarHBondContact O-CB 3.49Å; E312-M315 PolarHBondContact O-N 2.91Å; L313-M315 VanDerWaalsContact C-N 3.26Å; L313-M315 PolarHBondContact O-N 3.46Å; M315-I319 WeakPolarHBondContact O-CD1 3.39Å
316F94.7Very high92.7Very high2 Ų238.7 Ų38.71%0.00919%0.185CC..THydrogen-bonded Turntrans-88-15.4176.9-51.3-45.3000113.4G295 T298 R300 Y308 E312 L313 R314 G318 I319 E320G295-F316 VanDerWaalsContact CA-CE2 3.45Å; G295-F316 VanDerWaalsContact CA-CG 3.42Å; T298-F316 HydrophobicContact CG2-CD1 4.37Å; T298-F316 VanDerWaalsContact OG1-CD1 3.3Å; T298-F316 WeakPolarHBondContact OG1-CD1 3.24Å; T298-F316 WeakPolarHBondContact OG1-CE1 3.37Å; R300-F316 HydrophobicContact CB-CD1 4.41Å; R300-F316 HydrophobicContact CB-CE1 4.13Å; Y308-F316 HydrophobicContact CD1-CE2 4.08Å; Y308-F316 HydrophobicContact CD1-CZ 4.16Å; Y308-F316 AromaticContact CD2-CE2 3.94Å; Y308-F316 HydrophobicContact CD2-CE2 3.94Å; Y308-F316 HydrophobicContact CE1-CE2 4.31Å; Y308-F316 HydrophobicContact CE1-CZ 4.27Å; Y308-F316 HydrophobicContact CE2-CE2 4.12Å; Y308-F316 AromaticContact CG-CE2 3.92Å; Y308-F316 HydrophobicContact CG-CE2 3.92Å; Y308-F316 HydrophobicContact CG-CZ 4.44Å; E312-F316 HydrophobicContact CB-CE2 4.11Å; E312-F316 HydrophobicContact CB-CZ 4.1Å; E312-F316 WeakPolarHBondContact O-CD2 3.42Å; E312-F316 PolarHBondContact O-N 3.32Å; L313-F316 PolarHBondContact O-N 2.87Å; R314-F316 PolarHBondContact O-N 3.18Å; F316-G318 PolarHBondContact O-N 3.1Å; F316-I319 WeakPolarHBondContact O-CG1 3.43Å; F316-I319 PolarHBondContact O-N 3.22Å; F316-I319 VanDerWaalsContact O-N 3.07Å; F316-E320 VanDerWaalsContact O-CG 3.27Å; F316-E320 WeakPolarHBondContact O-CG 3.44Å; F316-E320 PolarHBondContact O-N 3.44Å
317D92.9Very high93.4Very high76 Ų7632.9 Ų32.941%0.40616%0.155SC..THydrogen-bonded Turntrans-58.6116.3-178-155.9-11.7000111.1R293 R314R293-D317 HydrophobicContact CG-CB 4.06Å; R293-D317 IonicContact CZ-OD2 2.78Å; R293-D317 IonicContact NE-OD2 3.48Å; R293-D317 PolarHBondContact NE-OD2 3.38Å; R293-D317 VanDerWaalsContact NE-OD2 3.08Å; R293-D317 IonicContact NH2-OD2 3.1Å; R293-D317 PolarHBondContact NH2-OD2 2.97Å; R314-D317 VanDerWaalsContact O-CB 3.31Å; R314-D317 WeakPolarHBondContact O-CB 3.39Å; R314-D317 PolarHBondContact O-N 3.16Å
318G92.2Very high93.8Very high36 Ų3628.8 Ų28.837%0.37114%0.138SC..THydrogen-bonded Turntrans87.3-6.4179.600000115.5F316 E320 R413F316-G318 PolarHBondContact O-N 3.1Å; G318-E320 WeakPolarHBondContact CA-OE2 3.33Å; G318-E320 PolarHBondContact N-OE2 2.96Å; G318-R413 PolarHBondContact O-NH2 2.86Å
319I95.8Very high94.1Very high3 Ų328.6 Ų28.62%0.01514%0.138CC..THydrogen-bonded Turntrans-118.68.2178.467.1162.1000113R300 M315 F316 L396 I401 I405R300-I319 HydrophobicContact CB-CD1 4.36Å; R300-I319 HydrophobicContact CG-CD1 4.05Å; M315-I319 WeakPolarHBondContact O-CD1 3.39Å; F316-I319 WeakPolarHBondContact O-CG1 3.43Å; F316-I319 PolarHBondContact O-N 3.22Å; F316-I319 VanDerWaalsContact O-N 3.07Å; I319-L396 HydrophobicContact CB-CD2 4.2Å; I319-L396 HydrophobicContact CG2-CD2 3.86Å; I319-I401 HydrophobicContact CD1-CD1 4.27Å; I319-I401 HydrophobicContact CG2-CG2 4.26Å; I319-I405 HydrophobicContact CG2-CG1 4.28Å
320E96.8Very high94.5Very high1 Ų126.6 Ų26.61%0.00513%0.128CC..PPolyproline II helixtrans-60.7152.1-177.4-47.893.5133.100111.4R289 R293 D294 F316 G318R289-E320 HydrophobicContact CB-CB 4.43Å; R289-E320 VanDerWaalsContact CD-OE2 3.32Å; R289-E320 WeakPolarHBondContact CD-OE2 3.36Å; R289-E320 HydrophobicContact CG-CB 3.84Å; R289-E320 IonicContact NH1-OE1 3.32Å; R289-E320 PolarHBondContact NH1-OE1 2.89Å; R289-E320 IonicContact NH1-OE2 3.22Å; R293-E320 PolarHBondContact N-OE1 3.48Å; D294-E320 WeakPolarHBondContact O-CG 3.41Å; F316-E320 VanDerWaalsContact O-CG 3.27Å; F316-E320 WeakPolarHBondContact O-CG 3.44Å; F316-E320 PolarHBondContact O-N 3.44Å; G318-E320 WeakPolarHBondContact CA-OE2 3.33Å; G318-E320 PolarHBondContact N-OE2 2.96Å
321C97.7Very high95.2Very high1 Ų124.8 Ų24.81%0.00712%0.117CC..PPolyproline II helixtrans-66140.5176.7-65.90000111.4F296 R297 Y394F296-C321 PolarHBondContact O-SG 3.23Å; R297-C321 PolarHBondContact O-SG 3.29Å; R297-C321 VanDerWaalsContact O-SG 3.35Å; C321-Y394 VanDerWaalsContact CA-O 3.3Å; C321-Y394 WeakPolarHBondContact CA-O 3.48Å
322E98.1Very high95.9Very high4 Ų417.7 Ų17.72%0.0199%0.09CC..BIsolated β-bridgetrans-103.8137.8176.1-67.2178.9-167.600109.8R285 Y286 R289 S393 Y394 R413R285-E322 PolarHBondContact N-OE2 3.09Å; Y286-E322 WeakPolarHBondContact CA-OE2 3.4Å; Y286-E322 WeakPolarHBondContact CB-OE2 3.5Å; Y286-E322 PolarHBondContact N-OE2 2.85Å; R289-E322 HydrophobicContact CG-CG 4.09Å; E322-S393 CarbonylContact O-C 3.54Å; E322-S393 WeakPolarHBondContact O-CA 3.3Å; E322-Y394 PolarHBondContact N-O 3.18Å; E322-Y394 PolarHBondContact O-N 2.71Å; E322-R413 IonicContact OE1-NE 3.46Å
323W98.3Very high96.2Very high8 Ų816.7 Ų16.73%0.039%0.085CC..BIsolated β-bridgetrans-115.7108.5-170.3-70.966.8000110.8G287 C288 R290 F296 M325 F326 E392G287-W323 WeakPolarHBondContact CA-O 3.49Å; C288-W323 PolarHBondContact N-O 3.27Å; C288-W323 WeakPolarHBondContact O-CB 3.29Å; C288-W323 PolarHBondContact O-N 2.77Å; R290-W323 HydrophobicContact CG-CD2 4.27Å; R290-W323 HydrophobicContact CG-CG 4.24Å; R290-W323 HydrophobicContact CG-CZ2 4.47Å; F296-W323 AromaticContact CD1-CZ2 3.87Å; F296-W323 HydrophobicContact CD1-CZ2 3.87Å; F296-W323 HydrophobicContact CE1-CH2 4.13Å; F296-W323 AromaticContact CE1-CZ2 3.83Å; F296-W323 HydrophobicContact CE1-CZ2 3.83Å; W323-M325 HydrophobicContact CB-CG 4.37Å; W323-M325 HydrophobicContact CE3-CE 4.13Å; W323-M325 HydrophobicContact CE3-SD 4.1Å; W323-M325 PolarHBondContact O-N 3.24Å; W323-M325 VanDerWaalsContact O-N 3.13Å; W323-F326 HydrophobicContact CB-CD2 3.57Å; W323-F326 HydrophobicContact CB-CE2 3.64Å; W323-F326 HydrophobicContact CG-CE2 4.18Å; W323-F326 WeakPolarHBondContact O-CD2 3.26Å; W323-F326 PolarHBondContact O-N 3.08Å; W323-E392 HydrophobicContact CE3-CG 4.31Å; W323-E392 HydrophobicContact CH2-CG 3.68Å; W323-E392 HydrophobicContact CZ3-CG 3.48Å; W323-E392 VanDerWaalsContact CZ3-CG 3.48Å
324P98.3Very high96.5Very high0 Ų016.6 Ų16.60%09%0.085CC..THydrogen-bonded Turntrans-57.2-27.8-177.6-28.533.5000114.9Y286 F326 F327 V353 V390 P391 Y394Y286-P324 WeakPolarHBondContact O-CA 3.25Å; Y286-P324 VanDerWaalsContact O-CG 3.31Å; Y286-P324 WeakPolarHBondContact O-CG 3.32Å; P324-F326 PolarHBondContact O-N 2.92Å; P324-F326 VanDerWaalsContact O-N 3.09Å; P324-F327 WeakPolarHBondContact O-CB 3.3Å; P324-F327 PolarHBondContact O-N 3.19Å; P324-V353 HydrophobicContact CB-CG2 3.79Å; P324-V353 HydrophobicContact CG-CG2 4.15Å; P324-V390 HydrophobicContact CB-CG1 4.07Å; P324-P391 HydrophobicContact CG-CG 4.18Å; P324-Y394 HydrophobicContact CG-CD2 3.49Å; P324-Y394 VanDerWaalsContact CG-CD2 3.49Å; P324-Y394 HydrophobicContact CG-CE2 3.5Å
325M97.3Very high96.8Very high1 Ų111 Ų111%0.0057%0.066CC..Hα-helixtrans-57.6-26.3179.771.7177-160.700113W179 W323 F327 A328 W329 W423 L427W179-M325 HydrophobicContact CH2-CE 3.61Å; W179-M325 HydrophobicContact CZ3-CE 4.11Å; W323-M325 HydrophobicContact CB-CG 4.37Å; W323-M325 HydrophobicContact CE3-CE 4.13Å; W323-M325 HydrophobicContact CE3-SD 4.1Å; W323-M325 PolarHBondContact O-N 3.24Å; W323-M325 VanDerWaalsContact O-N 3.13Å; M325-F327 VanDerWaalsContact C-N 3.33Å; M325-A328 WeakPolarHBondContact O-CB 3.32Å; M325-A328 PolarHBondContact O-N 3.47Å; M325-A328 VanDerWaalsContact O-N 3.17Å; M325-W329 HydrophobicContact CE-CZ3 3.82Å; M325-W329 PolarHBondContact O-N 3.03Å; M325-W329 VanDerWaalsContact O-N 3.07Å; M325-W423 HydrophobicContact CE-CE3 4.47Å; M325-W423 HydrophobicContact CE-CH2 4.24Å; M325-W423 HydrophobicContact CE-CZ3 4.19Å; M325-W423 HydrophobicContact SD-CD2 4.29Å; M325-W423 HydrophobicContact SD-CE3 4.31Å; M325-L427 HydrophobicContact CB-CD1 4.48Å
326F98.6Very high97Very high0 Ų08.4 Ų8.40%05%0.053CC..Hα-helixtrans-72.8-24.3176.4-65.3-67.8000113.1W179 A252 L255 C288 R290 W323 P324 A328 W329 L330W179-F326 AromaticContact CH2-CZ 3.72Å; W179-F326 HydrophobicContact CH2-CZ 3.72Å; W179-F326 AromaticContact CZ2-CZ 3.79Å; W179-F326 HydrophobicContact CZ2-CZ 3.79Å; A252-F326 HydrophobicContact CB-CD1 3.65Å; A252-F326 HydrophobicContact CB-CD2 3.93Å; A252-F326 HydrophobicContact CB-CE1 3.41Å; A252-F326 VanDerWaalsContact CB-CE1 3.41Å; A252-F326 HydrophobicContact CB-CE2 3.71Å; A252-F326 HydrophobicContact CB-CG 3.91Å; A252-F326 HydrophobicContact CB-CZ 3.44Å; A252-F326 VanDerWaalsContact CB-CZ 3.44Å; A252-F326 VanDerWaalsContact O-CE1 3.32Å; A252-F326 WeakPolarHBondContact O-CE1 3.49Å; L255-F326 HydrophobicContact CD1-CD1 4.07Å; C288-F326 HydrophobicContact CB-CB 3.63Å; C288-F326 HydrophobicContact CB-CD2 3.63Å; C288-F326 HydrophobicContact CB-CE2 4.48Å; C288-F326 HydrophobicContact CB-CG 3.77Å; R290-F326 HydrophobicContact CG-CE2 4.37Å; W323-F326 HydrophobicContact CB-CD2 3.57Å; W323-F326 HydrophobicContact CB-CE2 3.64Å; W323-F326 HydrophobicContact CG-CE2 4.18Å; W323-F326 WeakPolarHBondContact O-CD2 3.26Å; W323-F326 PolarHBondContact O-N 3.08Å; P324-F326 PolarHBondContact O-N 2.92Å; P324-F326 VanDerWaalsContact O-N 3.09Å; F326-A328 VanDerWaalsContact C-N 3.33Å; F326-W329 AromaticContact CD1-CE3 3.41Å; F326-W329 HydrophobicContact CD1-CE3 3.41Å; F326-W329 VanDerWaalsContact CD1-CE3 3.41Å; F326-W329 AromaticContact CD1-CZ3 3.72Å; F326-W329 HydrophobicContact CD1-CZ3 3.72Å; F326-W329 AromaticContact CE1-CE3 3.61Å; F326-W329 HydrophobicContact CE1-CE3 3.61Å; F326-W329 AromaticContact CE1-CZ3 3.37Å; F326-W329 HydrophobicContact CE1-CZ3 3.37Å; F326-W329 HydrophobicContact CG-CE3 4.41Å; F326-W329 HydrophobicContact CZ-CZ3 4.28Å; F326-W329 PolarHBondContact O-N 3.42Å; F326-L330 WeakPolarHBondContact O-CB 3.32Å; F326-L330 VanDerWaalsContact O-CG 3.24Å; F326-L330 WeakPolarHBondContact O-CG 3.45Å; F326-L330 PolarHBondContact O-N 3.39Å
327F98.6Very high96.9Very high0 Ų012.2 Ų12.20%07%0.067CC..Hα-helixtrans-65.3-40.8166.7-65-37.4000111L283 G287 P324 M325 W329 L330 V331 Y346 M349 L350 V353L283-F327 HydrophobicContact CD1-CD1 4.16Å; L283-F327 HydrophobicContact CD1-CE1 3.61Å; G287-F327 VanDerWaalsContact CA-CZ 3.42Å; G287-F327 VanDerWaalsContact N-CE2 3.29Å; P324-F327 WeakPolarHBondContact O-CB 3.3Å; P324-F327 PolarHBondContact O-N 3.19Å; M325-F327 VanDerWaalsContact C-N 3.33Å; F327-W329 VanDerWaalsContact C-N 3.29Å; F327-W329 PolarHBondContact O-N 3.24Å; F327-L330 HydrophobicContact CD1-CD1 4.42Å; F327-L330 PolarHBondContact O-N 3.17Å; F327-L330 VanDerWaalsContact O-N 3.15Å; F327-V331 WeakPolarHBondContact O-CG2 3.47Å; F327-V331 PolarHBondContact O-N 3.43Å; F327-Y346 HydrophobicContact CD1-CD1 4.46Å; F327-M349 HydrophobicContact CD1-CB 4.39Å; F327-M349 HydrophobicContact CD2-CB 4.16Å; F327-M349 HydrophobicContact CE1-CB 4.16Å; F327-M349 HydrophobicContact CE1-CE 3.48Å; F327-M349 VanDerWaalsContact CE1-CE 3.48Å; F327-M349 HydrophobicContact CE1-SD 4.11Å; F327-M349 HydrophobicContact CE2-CB 3.91Å; F327-M349 HydrophobicContact CG-CB 4.4Å; F327-M349 HydrophobicContact CZ-CB 3.92Å; F327-M349 HydrophobicContact CZ-CE 3.49Å; F327-M349 VanDerWaalsContact CZ-CE 3.49Å; F327-M349 HydrophobicContact CZ-SD 4.43Å; F327-L350 HydrophobicContact CB-CB 3.88Å; F327-L350 HydrophobicContact CB-CD1 4.14Å; F327-L350 HydrophobicContact CB-CD2 4.49Å; F327-L350 HydrophobicContact CB-CG 4.39Å; F327-L350 HydrophobicContact CD2-CB 4.44Å; F327-V353 HydrophobicContact CD2-CG2 3.94Å; F327-V353 HydrophobicContact CE2-CG1 4.3Å; F327-V353 HydrophobicContact CE2-CG2 4.06Å
328A98.3Very high97Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-60.2-41.7175.200000111.2M325 F326 V331 I332 L350 L427 A431M325-A328 WeakPolarHBondContact O-CB 3.32Å; M325-A328 PolarHBondContact O-N 3.47Å; M325-A328 VanDerWaalsContact O-N 3.17Å; F326-A328 VanDerWaalsContact C-N 3.33Å; A328-V331 PolarHBondContact O-N 2.93Å; A328-I332 VanDerWaalsContact O-CG1 3.31Å; A328-I332 WeakPolarHBondContact O-CG1 3.26Å; A328-I332 PolarHBondContact O-N 3.29Å; A328-L350 HydrophobicContact CB-CD2 3.87Å; A328-L427 HydrophobicContact CB-CB 3.94Å; A328-A431 HydrophobicContact CB-CB 4.05Å; A328-A431 WeakPolarHBondContact O-CB 3.43Å
329W97.9Very high97.2Very high0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-64.5-40.1172.7-101.5-45.3000114Y44 L255 Y260 M325 F326 F327 V331 I332 D333 W423 L427Y44-W329 HydrophobicContact CE1-CZ2 4.16Å; Y44-W329 AromaticContact CZ-CZ2 4Å; L255-W329 HydrophobicContact CB-CB 4.37Å; L255-W329 HydrophobicContact CB-CG 4.41Å; L255-W329 HydrophobicContact CD1-CB 4.17Å; Y260-W329 PolarHBondContact O-NE1 3.07Å; M325-W329 HydrophobicContact CE-CZ3 3.82Å; M325-W329 PolarHBondContact O-N 3.03Å; M325-W329 VanDerWaalsContact O-N 3.07Å; F326-W329 AromaticContact CD1-CE3 3.41Å; F326-W329 HydrophobicContact CD1-CE3 3.41Å; F326-W329 VanDerWaalsContact CD1-CE3 3.41Å; F326-W329 AromaticContact CD1-CZ3 3.72Å; F326-W329 HydrophobicContact CD1-CZ3 3.72Å; F326-W329 AromaticContact CE1-CE3 3.61Å; F326-W329 HydrophobicContact CE1-CE3 3.61Å; F326-W329 AromaticContact CE1-CZ3 3.37Å; F326-W329 HydrophobicContact CE1-CZ3 3.37Å; F326-W329 HydrophobicContact CG-CE3 4.41Å; F326-W329 HydrophobicContact CZ-CZ3 4.28Å; F326-W329 PolarHBondContact O-N 3.42Å; F327-W329 VanDerWaalsContact C-N 3.29Å; F327-W329 PolarHBondContact O-N 3.24Å; W329-V331 VanDerWaalsContact C-N 3.33Å; W329-I332 PolarHBondContact O-N 2.95Å; W329-D333 WeakPolarHBondContact O-CB 3.48Å; W329-D333 PolarHBondContact O-N 3.26Å; W329-W423 HydrophobicContact CH2-CH2 4.1Å; W329-W423 AromaticContact CH2-CZ2 3.36Å; W329-W423 HydrophobicContact CH2-CZ2 3.36Å; W329-W423 HydrophobicContact CZ2-CZ2 4.03Å; W329-W423 HydrophobicContact CZ3-CZ2 4.13Å; W329-L427 HydrophobicContact CD2-CD1 3.77Å; W329-L427 HydrophobicContact CE3-CD1 3.95Å; W329-L427 HydrophobicContact CG-CD1 4.32Å; W329-L427 HydrophobicContact CH2-CD1 4.43Å; W329-L427 HydrophobicContact CZ2-CD1 4.17Å; W329-L427 HydrophobicContact CZ3-CD1 4.3Å
330L98.6Very high97.1Very high1 Ų123.1 Ų23.11%0.00511%0.105CC..Hα-helixtrans-66.9-34.7177.2-73.3167.1000111.9L255 I279 L283 F326 F327 D333 A334 Y346L255-L330 HydrophobicContact CD1-CD2 4.11Å; L255-L330 HydrophobicContact CD1-CG 4.11Å; L255-L330 HydrophobicContact CD2-CD2 4.09Å; I279-L330 HydrophobicContact CG1-CD2 4.46Å; L283-L330 HydrophobicContact CD1-CD1 3.84Å; F326-L330 WeakPolarHBondContact O-CB 3.32Å; F326-L330 VanDerWaalsContact O-CG 3.24Å; F326-L330 WeakPolarHBondContact O-CG 3.45Å; F326-L330 PolarHBondContact O-N 3.39Å; F327-L330 HydrophobicContact CD1-CD1 4.42Å; F327-L330 PolarHBondContact O-N 3.17Å; F327-L330 VanDerWaalsContact O-N 3.15Å; L330-D333 PolarHBondContact O-N 2.93Å; L330-A334 VanDerWaalsContact O-CB 3.26Å; L330-A334 WeakPolarHBondContact O-CB 3.46Å; L330-A334 PolarHBondContact O-N 3.4Å; L330-Y346 HydrophobicContact CB-CD1 4.08Å; L330-Y346 HydrophobicContact CB-CD2 3.61Å; L330-Y346 HydrophobicContact CB-CE1 4.4Å; L330-Y346 HydrophobicContact CB-CE2 3.96Å; L330-Y346 HydrophobicContact CB-CG 3.68Å; L330-Y346 HydrophobicContact CD1-CD1 3.92Å; L330-Y346 HydrophobicContact CD1-CE1 3.78Å; L330-Y346 HydrophobicContact CD1-CG 4.4Å; L330-Y346 HydrophobicContact CD2-CE2 4.4Å
331V98.5Very high97.2Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-63-46.6169.7171.70000110.5F327 A328 W329 A334 S335 M347 A431 Y435F327-V331 WeakPolarHBondContact O-CG2 3.47Å; F327-V331 PolarHBondContact O-N 3.43Å; A328-V331 PolarHBondContact O-N 2.93Å; W329-V331 VanDerWaalsContact C-N 3.33Å; V331-A334 PolarHBondContact O-N 2.85Å; V331-S335 VanDerWaalsContact O-CB 3.3Å; V331-S335 WeakPolarHBondContact O-CB 3.2Å; V331-S335 PolarHBondContact O-N 2.92Å; V331-S335 PolarHBondContact O-OG 3.37Å; V331-M347 HydrophobicContact CG1-CE 3.81Å; V331-M347 HydrophobicContact CG2-CB 4Å; V331-M347 HydrophobicContact CG2-CE 4.17Å; V331-A431 HydrophobicContact CB-CB 4.22Å; V331-A431 HydrophobicContact CG1-CB 4.09Å; V331-Y435 HydrophobicContact CG1-CD2 4.39Å
332I97.6Very high97.1Very high0 Ų030.2 Ų30.20%014%0.143CC..Hα-helixtrans-59.8-48.9177-69.7166.6000109.7A328 W329 A334 S335 F336 L427 L430 A431A328-I332 VanDerWaalsContact O-CG1 3.31Å; A328-I332 WeakPolarHBondContact O-CG1 3.26Å; A328-I332 PolarHBondContact O-N 3.29Å; W329-I332 PolarHBondContact O-N 2.95Å; I332-A334 PolarHBondContact O-N 3.34Å; I332-S335 PolarHBondContact O-N 3.44Å; I332-F336 HydrophobicContact CG2-CD2 3.78Å; I332-F336 HydrophobicContact CG2-CE2 3.86Å; I332-F336 WeakPolarHBondContact O-CD2 3.37Å; I332-F336 PolarHBondContact O-N 3.02Å; I332-L427 HydrophobicContact CD1-CD2 4.18Å; I332-L430 HydrophobicContact CD1-CD2 4.3Å; I332-L430 HydrophobicContact CD1-CG 4.36Å; I332-A431 HydrophobicContact CD1-CB 4.11Å; I332-A431 HydrophobicContact CG1-CB 3.79Å
333D97.2Very high97.1Very high3 Ų330.1 Ų30.12%0.01614%0.143CC..Hα-helixtrans-55.6-51.7176.917776.8000111.9T259 R275 W329 L330 S335 F336 R337T259-D333 HydrophobicContact CG2-CB 3.84Å; T259-D333 WeakPolarHBondContact OG1-CA 3.44Å; R275-D333 IonicContact CZ-OD1 3.08Å; R275-D333 IonicContact CZ-OD2 3.44Å; R275-D333 IonicContact NE-OD1 3.6Å; R275-D333 IonicContact NE-OD2 2.78Å; R275-D333 PolarHBondContact NE-OD2 3.06Å; R275-D333 IonicContact NH2-OD1 3.79Å; R275-D333 PolarHBondContact NH2-OD1 2.89Å; R275-D333 IonicContact NH2-OD2 3.73Å; W329-D333 WeakPolarHBondContact O-CB 3.48Å; W329-D333 PolarHBondContact O-N 3.26Å; L330-D333 PolarHBondContact O-N 2.93Å; D333-S335 VanDerWaalsContact C-N 3.3Å; D333-S335 PolarHBondContact O-N 2.83Å; D333-F336 PolarHBondContact O-N 2.9Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 3.29Å; D333-R337 VanDerWaalsContact O-N 3.08Å; D333-R337 IonicContact OD1-NE 3.51Å; D333-R337 IonicContact OD2-CZ 2.71Å; D333-R337 IonicContact OD2-NE 3.66Å; D333-R337 PolarHBondContact OD2-NE 2.81Å; D333-R337 IonicContact OD2-NH2 3.5Å; D333-R337 PolarHBondContact OD2-NH2 3.38Å
334A97.9Very high97.1Very high0 Ų032.7 Ų32.70%016%0.157CC..Hα-helixtrans-61.2-38.9177.900000112.4L330 V331 I332 R337 E338 D339 D342 A343L330-A334 VanDerWaalsContact O-CB 3.26Å; L330-A334 WeakPolarHBondContact O-CB 3.46Å; L330-A334 PolarHBondContact O-N 3.4Å; V331-A334 PolarHBondContact O-N 2.85Å; I332-A334 PolarHBondContact O-N 3.34Å; A334-R337 CarbonylContact O-C 3.54Å; A334-R337 PolarHBondContact O-N 3.48Å; A334-E338 PolarHBondContact O-N 3.23Å; A334-E338 VanDerWaalsContact O-N 3.09Å; A334-D339 PolarHBondContact O-N 2.8Å; A334-D342 HydrophobicContact CB-CB 3.95Å; A334-A343 HydrophobicContact CB-CB 3.78Å
335S96.2Very high97.1Very high14 Ų1439.1 Ų39.110%0.09818%0.182CC..Hα-helixtrans-65.9-40.7177.6-57.10000112.6V331 I332 D333 R337 E338V331-S335 VanDerWaalsContact O-CB 3.3Å; V331-S335 WeakPolarHBondContact O-CB 3.2Å; V331-S335 PolarHBondContact O-N 2.92Å; V331-S335 PolarHBondContact O-OG 3.37Å; I332-S335 PolarHBondContact O-N 3.44Å; D333-S335 VanDerWaalsContact C-N 3.3Å; D333-S335 PolarHBondContact O-N 2.83Å; S335-R337 VanDerWaalsContact C-N 3.28Å; S335-R337 PolarHBondContact O-N 2.78Å; S335-E338 PolarHBondContact O-N 3.01Å
336F94.7Very high97.2Very high27 Ų2739.5 Ų39.512%0.11818%0.183CC..Hα-helixtrans-69.5-26.3175.4-89.9-90.8000112.8Y260 F263 I332 D333 E338 I434 P441 I444 D445 R450Y260-F336 HydrophobicContact CD2-CE2 4.27Å; Y260-F336 AromaticContact CD2-CZ 3.84Å; Y260-F336 HydrophobicContact CD2-CZ 3.84Å; Y260-F336 HydrophobicContact CG-CE2 4.01Å; Y260-F336 HydrophobicContact CG-CZ 4.06Å; F263-F336 HydrophobicContact CE1-CD1 4.15Å; F263-F336 HydrophobicContact CE1-CG 4.39Å; F263-F336 HydrophobicContact CE2-CD1 4.28Å; F263-F336 AromaticContact CE2-CE1 3.96Å; F263-F336 HydrophobicContact CE2-CE1 3.96Å; F263-F336 HydrophobicContact CE2-CZ 4.36Å; F263-F336 HydrophobicContact CZ-CB 4.48Å; F263-F336 AromaticContact CZ-CD1 3.42Å; F263-F336 HydrophobicContact CZ-CD1 3.42Å; F263-F336 VanDerWaalsContact CZ-CD1 3.42Å; F263-F336 HydrophobicContact CZ-CD2 4.3Å; F263-F336 AromaticContact CZ-CE1 3.54Å; F263-F336 HydrophobicContact CZ-CE1 3.54Å; F263-F336 HydrophobicContact CZ-CE2 4.42Å; F263-F336 AromaticContact CZ-CG 3.83Å; F263-F336 HydrophobicContact CZ-CG 3.83Å; F263-F336 HydrophobicContact CZ-CZ 4.06Å; I332-F336 HydrophobicContact CG2-CD2 3.78Å; I332-F336 HydrophobicContact CG2-CE2 3.86Å; I332-F336 WeakPolarHBondContact O-CD2 3.37Å; I332-F336 PolarHBondContact O-N 3.02Å; D333-F336 PolarHBondContact O-N 2.9Å; F336-E338 VanDerWaalsContact C-N 3.32Å; F336-I434 HydrophobicContact CE2-CD1 4.44Å; F336-P441 HydrophobicContact CD1-CB 3.54Å; F336-P441 HydrophobicContact CD2-CB 4.09Å; F336-P441 HydrophobicContact CE1-CB 3.46Å; F336-P441 VanDerWaalsContact CE1-CB 3.46Å; F336-P441 WeakPolarHBondContact CE1-O 3.36Å; F336-P441 HydrophobicContact CE2-CB 4.01Å; F336-P441 HydrophobicContact CG-CB 3.88Å; F336-P441 HydrophobicContact CZ-CB 3.7Å; F336-P441 WeakPolarHBondContact CZ-O 3.35Å; F336-I444 HydrophobicContact CZ-CG2 4.05Å; F336-D445 HydrophobicContact CE1-CB 4.33Å; F336-R450 HydrophobicContact CD1-CB 4.06Å; F336-R450 HydrophobicContact CE1-CB 4.33Å
337R93.5Very high97.1Very high82 Ų8239.6 Ų39.631%0.30918%0.184SC..THydrogen-bonded Turntrans-83.6-5.5173.4-68.5-174.8-65104.1-5.9113.9D333 A334 S335 D339 D342D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 3.29Å; D333-R337 VanDerWaalsContact O-N 3.08Å; D333-R337 IonicContact OD1-NE 3.51Å; D333-R337 IonicContact OD2-CZ 2.71Å; D333-R337 IonicContact OD2-NE 3.66Å; D333-R337 PolarHBondContact OD2-NE 2.81Å; D333-R337 IonicContact OD2-NH2 3.5Å; D333-R337 PolarHBondContact OD2-NH2 3.38Å; A334-R337 CarbonylContact O-C 3.54Å; A334-R337 PolarHBondContact O-N 3.48Å; S335-R337 VanDerWaalsContact C-N 3.28Å; S335-R337 PolarHBondContact O-N 2.78Å; R337-D339 HydrophobicContact CB-CB 4.31Å; R337-D339 IonicContact CZ-OD2 3.62Å; R337-D339 IonicContact NH1-OD2 2.95Å; R337-D339 PolarHBondContact NH1-OD2 2.91Å; R337-D339 IonicContact NH2-OD2 3.58Å; R337-D339 PolarHBondContact O-N 2.85Å; R337-D342 IonicContact NH2-OD2 3.33Å; R337-D342 PolarHBondContact NH2-OD2 3.32Å
338E93.9Very high97.1Very high153 Ų15345 Ų4572%0.71521%0.209SC*.THydrogen-bonded Turntrans5729.4-170.9-53-174.8163.800113.1A334 S335 F336 F340A334-E338 PolarHBondContact O-N 3.23Å; A334-E338 VanDerWaalsContact O-N 3.09Å; S335-E338 PolarHBondContact O-N 3.01Å; F336-E338 VanDerWaalsContact C-N 3.32Å; E338-F340 HydrophobicContact CB-CE2 4.31Å; E338-F340 HydrophobicContact CB-CZ 4.33Å; E338-F340 WeakPolarHBondContact O-CD2 3.41Å; E338-F340 WeakPolarHBondContact O-CE2 3.41Å; E338-F340 PolarHBondContact O-N 2.89Å
339D96.4Very high97.1Very high48 Ų4847 Ų4726%0.25722%0.219SC..  trans-9485.3175.7-173.1-15000109.7A334 R337 D341 D342 A343A334-D339 PolarHBondContact O-N 2.8Å; R337-D339 HydrophobicContact CB-CB 4.31Å; R337-D339 IonicContact CZ-OD2 3.62Å; R337-D339 IonicContact NH1-OD2 2.95Å; R337-D339 PolarHBondContact NH1-OD2 2.91Å; R337-D339 IonicContact NH2-OD2 3.58Å; R337-D339 PolarHBondContact O-N 2.85Å; D339-D341 VanDerWaalsContact C-N 3.3Å; D339-D341 PolarHBondContact O-N 3.01Å; D339-D341 PolarHBondContact OD1-N 2.93Å; D339-D342 HydrophobicContact CB-CB 4.48Å; D339-D342 PolarHBondContact OD1-N 3.24Å; D339-A343 WeakPolarHBondContact O-CB 3.03Å; D339-A343 PolarHBondContact O-N 3.12Å
340F94.7Very high97.1Very high143 Ų14347 Ų4763%0.62722%0.219SC*.Hα-helixtrans-68-28.7-175.2-57.1-71.6000113E338 A343 D344E338-F340 HydrophobicContact CB-CE2 4.31Å; E338-F340 HydrophobicContact CB-CZ 4.33Å; E338-F340 WeakPolarHBondContact O-CD2 3.41Å; E338-F340 WeakPolarHBondContact O-CE2 3.41Å; E338-F340 PolarHBondContact O-N 2.89Å; F340-A343 PolarHBondContact O-N 3.45Å; F340-D344 WeakPolarHBondContact O-CB 3.12Å; F340-D344 VanDerWaalsContact O-CG 3.32Å; F340-D344 PolarHBondContact O-N 2.95Å
341D97.9Very high96.9Very high123 Ų12352.1 Ų52.166%0.65824%0.242SC*.Hα-helixtrans-67.7-45.1179.7-71.6-31.2000111.1D339 R345D339-D341 VanDerWaalsContact C-N 3.3Å; D339-D341 PolarHBondContact O-N 3.01Å; D339-D341 PolarHBondContact OD1-N 2.93Å; D341-R345 WeakPolarHBondContact O-CB 3.39Å; D341-R345 PolarHBondContact O-N 3.05Å; D341-R345 VanDerWaalsContact O-N 3.11Å
342D97.3Very high96.7Very high27 Ų2759.1 Ų59.114%0.14428%0.275CS..Hα-helixtrans-69.2-39.9173.9-93.76.2000111.4A334 R337 D339 D344 R345 Y346A334-D342 HydrophobicContact CB-CB 3.95Å; R337-D342 IonicContact NH2-OD2 3.33Å; R337-D342 PolarHBondContact NH2-OD2 3.32Å; D339-D342 HydrophobicContact CB-CB 4.48Å; D339-D342 PolarHBondContact OD1-N 3.24Å; D342-D344 PolarHBondContact O-N 2.89Å; D342-R345 PolarHBondContact O-N 3.2Å; D342-R345 IonicContact OD1-CZ 3.11Å; D342-R345 IonicContact OD1-NH1 3.24Å; D342-R345 IonicContact OD1-NH2 2.93Å; D342-Y346 HydrophobicContact CB-CD2 4.2Å; D342-Y346 HydrophobicContact CB-CE2 3.85Å; D342-Y346 WeakPolarHBondContact O-CD2 3.47Å; D342-Y346 PolarHBondContact O-N 3.49Å
343A97.5Very high96.6Very high2 Ų259.3 Ų59.32%0.01728%0.277CS..Hα-helixtrans-59.5-45.8177.100000111.5A334 D339 F340 M347 Y435A334-A343 HydrophobicContact CB-CB 3.78Å; D339-A343 WeakPolarHBondContact O-CB 3.03Å; D339-A343 PolarHBondContact O-N 3.12Å; F340-A343 PolarHBondContact O-N 3.45Å; A343-M347 WeakPolarHBondContact O-CB 3.3Å; A343-M347 PolarHBondContact O-N 3.44Å; A343-Y435 HydrophobicContact CB-CD2 4.25Å; A343-Y435 HydrophobicContact CB-CE2 4.43Å
344D98.4Very high96.6Very high62 Ų6260 Ų6033%0.33228%0.28SS..Hα-helixtrans-60.5-45.4175.4-81.3-15.4000111.5F340 D342 M347 Q348 Y435F340-D344 WeakPolarHBondContact O-CB 3.12Å; F340-D344 VanDerWaalsContact O-CG 3.32Å; F340-D344 PolarHBondContact O-N 2.95Å; D342-D344 PolarHBondContact O-N 2.89Å; D344-M347 PolarHBondContact O-N 3.49Å; D344-Q348 WeakPolarHBondContact O-CB 3.43Å; D344-Q348 VanDerWaalsContact O-CG 3.22Å; D344-Q348 WeakPolarHBondContact O-CG 3.35Å; D344-Q348 PolarHBondContact O-N 3.06Å; D344-Y435 WeakPolarHBondContact OD1-CE2 3.3Å; D344-Y435 VanDerWaalsContact OD1-CZ 3.24Å; D344-Y435 PolarHBondContact OD1-OH 3.32Å
345R98.2Very high96.4Very high136 Ų13661.1 Ų61.151%0.51329%0.286SS..Hα-helixtrans-60.9-52.2179.5-172.3-174.9-53.6159.915.3111.6D341 D342 M347 Q348 M349D341-R345 WeakPolarHBondContact O-CB 3.39Å; D341-R345 PolarHBondContact O-N 3.05Å; D341-R345 VanDerWaalsContact O-N 3.11Å; D342-R345 PolarHBondContact O-N 3.2Å; D342-R345 IonicContact OD1-CZ 3.11Å; D342-R345 IonicContact OD1-NH1 3.24Å; D342-R345 IonicContact OD1-NH2 2.93Å; R345-M347 VanDerWaalsContact C-N 3.34Å; R345-M347 PolarHBondContact O-N 3.08Å; R345-Q348 PolarHBondContact O-N 3.43Å; R345-M349 HydrophobicContact CG-SD 4.38Å; R345-M349 VanDerWaalsContact O-CG 3.31Å; R345-M349 WeakPolarHBondContact O-CG 3.45Å; R345-M349 PolarHBondContact O-N 3.2Å
346Y98.5Very high96Very high8 Ų862.6 Ų62.63%0.03130%0.296CS..Hα-helixtrans-69.9-32-178.5-62.7-53.9000112.2I279 L283 F327 L330 D342 M349 L350I279-Y346 WeakPolarHBondContact CD1-OH 3.43Å; L283-Y346 HydrophobicContact CD1-CE1 4.48Å; L283-Y346 HydrophobicContact CD2-CE1 4.15Å; F327-Y346 HydrophobicContact CD1-CD1 4.46Å; L330-Y346 HydrophobicContact CB-CD1 4.08Å; L330-Y346 HydrophobicContact CB-CD2 3.61Å; L330-Y346 HydrophobicContact CB-CE1 4.4Å; L330-Y346 HydrophobicContact CB-CE2 3.96Å; L330-Y346 HydrophobicContact CB-CG 3.68Å; L330-Y346 HydrophobicContact CD1-CD1 3.92Å; L330-Y346 HydrophobicContact CD1-CE1 3.78Å; L330-Y346 HydrophobicContact CD1-CG 4.4Å; L330-Y346 HydrophobicContact CD2-CE2 4.4Å; D342-Y346 HydrophobicContact CB-CD2 4.2Å; D342-Y346 HydrophobicContact CB-CE2 3.85Å; D342-Y346 WeakPolarHBondContact O-CD2 3.47Å; D342-Y346 PolarHBondContact O-N 3.49Å; Y346-M349 HydrophobicContact CD1-SD 4.08Å; Y346-M349 PolarHBondContact O-N 3.17Å; Y346-L350 VanDerWaalsContact O-CB 3.26Å; Y346-L350 WeakPolarHBondContact O-CB 3.5Å; Y346-L350 PolarHBondContact O-N 2.99Å
347M98Very high95.2Very high3 Ų365.4 Ų65.42%0.01531%0.309CS..Hα-helixtrans-66.7-41.4173.7179.456.466.100111.5V331 A343 D344 R345 L350 Q351 Y435V331-M347 HydrophobicContact CG1-CE 3.81Å; V331-M347 HydrophobicContact CG2-CB 4Å; V331-M347 HydrophobicContact CG2-CE 4.17Å; A343-M347 WeakPolarHBondContact O-CB 3.3Å; A343-M347 PolarHBondContact O-N 3.44Å; D344-M347 PolarHBondContact O-N 3.49Å; R345-M347 VanDerWaalsContact C-N 3.34Å; R345-M347 PolarHBondContact O-N 3.08Å; M347-L350 PolarHBondContact O-N 3.14Å; M347-Q351 HydrophobicContact CG-CG 4.5Å; M347-Q351 WeakPolarHBondContact O-CB 3.5Å; M347-Q351 VanDerWaalsContact O-CG 3.27Å; M347-Q351 WeakPolarHBondContact O-CG 3.35Å; M347-Q351 PolarHBondContact O-N 3.27Å; M347-Q351 HydrophobicContact SD-CG 4.08Å; M347-Y435 HydrophobicContact CB-CD2 4.16Å; M347-Y435 HydrophobicContact CB-CE1 4.38Å; M347-Y435 HydrophobicContact CB-CE2 3.97Å; M347-Y435 HydrophobicContact CB-CG 4.45Å; M347-Y435 HydrophobicContact CE-CD1 3.86Å; M347-Y435 HydrophobicContact CE-CD2 4.38Å; M347-Y435 HydrophobicContact CE-CG 3.72Å; M347-Y435 HydrophobicContact CG-CD1 3.83Å; M347-Y435 HydrophobicContact CG-CD2 4.31Å; M347-Y435 HydrophobicContact CG-CE1 3.68Å; M347-Y435 HydrophobicContact CG-CE2 4.17Å; M347-Y435 HydrophobicContact CG-CG 4.16Å; M347-Y435 HydrophobicContact SD-CD1 4.41Å
348Q97.9Very high93.6Very high112 Ų11264.9 Ų64.952%0.52332%0.318SS..Hα-helixtrans-60.5-48.3173.5-74169.430.700111D344 R345 L350 Q351 E352D344-Q348 WeakPolarHBondContact O-CB 3.43Å; D344-Q348 VanDerWaalsContact O-CG 3.22Å; D344-Q348 WeakPolarHBondContact O-CG 3.35Å; D344-Q348 PolarHBondContact O-N 3.06Å; R345-Q348 PolarHBondContact O-N 3.43Å; Q348-L350 VanDerWaalsContact C-N 3.29Å; Q348-L350 PolarHBondContact O-N 3.2Å; Q348-Q351 PolarHBondContact O-N 2.59Å; Q348-E352 WeakPolarHBondContact O-CG 3.38Å; Q348-E352 PolarHBondContact O-N 2.66Å; Q348-E352 VanDerWaalsContact O-N 3.14Å
349M98.1Very high91.8Very high43 Ų4360.4 Ų60.421%0.21230%0.304CS..Hα-helixtrans-58.8-41.2175.8-65.9173.880.200112F327 R345 Y346 E352 V353F327-M349 HydrophobicContact CD1-CB 4.39Å; F327-M349 HydrophobicContact CD2-CB 4.16Å; F327-M349 HydrophobicContact CE1-CB 4.16Å; F327-M349 HydrophobicContact CE1-CE 3.48Å; F327-M349 VanDerWaalsContact CE1-CE 3.48Å; F327-M349 HydrophobicContact CE1-SD 4.11Å; F327-M349 HydrophobicContact CE2-CB 3.91Å; F327-M349 HydrophobicContact CG-CB 4.4Å; F327-M349 HydrophobicContact CZ-CB 3.92Å; F327-M349 HydrophobicContact CZ-CE 3.49Å; F327-M349 VanDerWaalsContact CZ-CE 3.49Å; F327-M349 HydrophobicContact CZ-SD 4.43Å; R345-M349 HydrophobicContact CG-SD 4.38Å; R345-M349 VanDerWaalsContact O-CG 3.31Å; R345-M349 WeakPolarHBondContact O-CG 3.45Å; R345-M349 PolarHBondContact O-N 3.2Å; Y346-M349 HydrophobicContact CD1-SD 4.08Å; Y346-M349 PolarHBondContact O-N 3.17Å; M349-E352 PolarHBondContact O-N 3.16Å; M349-V353 WeakPolarHBondContact O-CG2 3.34Å
350L97.5Very high89.6Confident0 Ų063.3 Ų63.30%032%0.315CS..Hα-helixtrans-64.2-42.6176.9-177.651.8000112.1F327 A328 Y346 M347 Q348 E352 V353 V354 Y428F327-L350 HydrophobicContact CB-CB 3.88Å; F327-L350 HydrophobicContact CB-CD1 4.14Å; F327-L350 HydrophobicContact CB-CD2 4.49Å; F327-L350 HydrophobicContact CB-CG 4.39Å; F327-L350 HydrophobicContact CD2-CB 4.44Å; A328-L350 HydrophobicContact CB-CD2 3.87Å; Y346-L350 VanDerWaalsContact O-CB 3.26Å; Y346-L350 WeakPolarHBondContact O-CB 3.5Å; Y346-L350 PolarHBondContact O-N 2.99Å; M347-L350 PolarHBondContact O-N 3.14Å; Q348-L350 VanDerWaalsContact C-N 3.29Å; Q348-L350 PolarHBondContact O-N 3.2Å; L350-E352 VanDerWaalsContact C-N 3.26Å; L350-E352 PolarHBondContact O-N 3.18Å; L350-V353 HydrophobicContact CD1-CG2 4.35Å; L350-V353 VanDerWaalsContact O-CG2 3.3Å; L350-V353 WeakPolarHBondContact O-CG2 3.43Å; L350-V353 PolarHBondContact O-N 3.38Å; L350-V354 HydrophobicContact CD1-CG1 4.18Å; L350-V354 WeakPolarHBondContact O-CG1 3.38Å; L350-V354 PolarHBondContact O-N 2.71Å; L350-Y428 HydrophobicContact CD1-CD2 4.26Å; L350-Y428 HydrophobicContact CD2-CD2 3.72Å; L350-Y428 HydrophobicContact CD2-CE2 4.29Å; L350-Y428 HydrophobicContact CG-CD2 3.91Å; L350-Y428 HydrophobicContact CG-CE2 4.21Å
351Q95.5Very high86.9Confident108 Ų10861 Ų6151%0.50532%0.317SS..Hα-helixtrans-64.9-28.8178.2-73.5172.92.500112.9M347 Q348 V353 V354M347-Q351 HydrophobicContact CG-CG 4.5Å; M347-Q351 WeakPolarHBondContact O-CB 3.5Å; M347-Q351 VanDerWaalsContact O-CG 3.27Å; M347-Q351 WeakPolarHBondContact O-CG 3.35Å; M347-Q351 PolarHBondContact O-N 3.27Å; M347-Q351 HydrophobicContact SD-CG 4.08Å; Q348-Q351 PolarHBondContact O-N 2.59Å; Q351-V353 VanDerWaalsContact C-N 3.29Å; Q351-V353 PolarHBondContact O-N 3.48Å; Q351-V354 WeakPolarHBondContact O-CG2 3.32Å
352E94.6Very high83.8Confident147 Ų14763.6 Ų63.669%0.68732%0.323SS*.Hα-helixtrans-72.6-19.4176.2-71.4-177.1-172.800113.7Q348 M349 L350Q348-E352 WeakPolarHBondContact O-CG 3.38Å; Q348-E352 PolarHBondContact O-N 2.66Å; Q348-E352 VanDerWaalsContact O-N 3.14Å; M349-E352 PolarHBondContact O-N 3.16Å; L350-E352 VanDerWaalsContact C-N 3.26Å; L350-E352 PolarHBondContact O-N 3.18Å
353V95.6Very high80.5Confident5 Ų567.4 Ų67.43%0.0335%0.347CS..Hα-helixtrans-116.72.9-171.2-54.40000113.5Y286 P324 F327 M349 L350 Q351 Y394Y286-V353 HydrophobicContact CD1-CG1 4.02Å; P324-V353 HydrophobicContact CB-CG2 3.79Å; P324-V353 HydrophobicContact CG-CG2 4.15Å; F327-V353 HydrophobicContact CD2-CG2 3.94Å; F327-V353 HydrophobicContact CE2-CG1 4.3Å; F327-V353 HydrophobicContact CE2-CG2 4.06Å; M349-V353 WeakPolarHBondContact O-CG2 3.34Å; L350-V353 HydrophobicContact CD1-CG2 4.35Å; L350-V353 VanDerWaalsContact O-CG2 3.3Å; L350-V353 WeakPolarHBondContact O-CG2 3.43Å; L350-V353 PolarHBondContact O-N 3.38Å; Q351-V353 VanDerWaalsContact C-N 3.29Å; Q351-V353 PolarHBondContact O-N 3.48Å; V353-Y394 HydrophobicContact CB-CE2 4.05Å; V353-Y394 WeakPolarHBondContact O-CE2 3.36Å; V353-Y394 PolarHBondContact O-OH 2.92Å
354V95.5Very high77.2Confident16 Ų1673.7 Ų73.710%0.09739%0.388CS..  trans-87.3148.5169.3-67.20000110.7L350 Q351 C388 V390 Y428L350-V354 HydrophobicContact CD1-CG1 4.18Å; L350-V354 WeakPolarHBondContact O-CG1 3.38Å; L350-V354 PolarHBondContact O-N 2.71Å; Q351-V354 WeakPolarHBondContact O-CG2 3.32Å; V354-C388 HydrophobicContact CB-CB 3.93Å; V354-C388 HydrophobicContact CG2-CB 3.73Å; V354-V390 HydrophobicContact CG1-CG2 3.95Å; V354-Y428 HydrophobicContact CG1-CD2 4.29Å; V354-Y428 HydrophobicContact CG1-CE2 4.09Å
355I93.9Very high73.8Confident24 Ų2474.8 Ų74.812%0.12340%0.401CS..EExtended strand (participates in β ladder)trans-105.7122.9-172.6-59.6170.8000109.8C388 Y389 P391 P415 L419I355-C388 CarbonylContact O-C 3.5Å; I355-C388 WeakPolarHBondContact O-CA 3.29Å; I355-Y389 PolarHBondContact N-O 3.05Å; I355-Y389 PolarHBondContact O-N 3.41Å; I355-P391 HydrophobicContact CD1-CB 4.21Å; I355-P391 HydrophobicContact CD1-CG 4.05Å; I355-P415 HydrophobicContact CD1-CB 3.64Å; I355-P415 HydrophobicContact CD1-CG 3.7Å; I355-L419 HydrophobicContact CD1-CD1 4.11Å; I355-L419 HydrophobicContact CD1-CD2 3.76Å; I355-L419 HydrophobicContact CG2-CD2 4.48Å
356P88.8Confident70.3Confident45 Ų4576.6 Ų76.629%0.29242%0.42SS..EExtended strand (participates in β ladder)trans-64.8138.9175.2-21.132.4000112S358 S359P356-S358 VanDerWaalsContact C-N 3.27Å; P356-S358 PolarHBondContact O-N 3.36Å; P356-S359 VanDerWaalsContact O-CB 3.25Å; P356-S359 WeakPolarHBondContact O-CB 3.39Å; P356-S359 PolarHBondContact O-N 2.71Å; P356-S359 PolarHBondContact O-OG 3.2Å
357E76.7Confident67Low86 Ų8680.4 Ų80.440%0.40245%0.448SS..G310 helixtrans-53.7-38.1-179.9178.9172-14000113.5S359 H360 C387 Y389E357-S359 PolarHBondContact O-N 2.74Å; E357-H360 WeakPolarHBondContact O-CB 3.47Å; E357-H360 PolarHBondContact O-N 3.29Å; E357-C387 HydrophobicContact CB-CB 4.31Å; E357-C387 WeakPolarHBondContact CB-O 3.39Å; E357-C387 PolarHBondContact N-O 3.23Å; E357-Y389 HydrophobicContact CB-CE2 3.95Å; E357-Y389 VanDerWaalsContact CD-OH 3.29Å; E357-Y389 HydrophobicContact CG-CE2 3.89Å; E357-Y389 PolarHBondContact OE1-OH 3.28Å
358S60.4Low63.6Low72 Ų7286.2 Ų86.250%0.50349%0.489SS..G310 helixtrans-60.5-17.1179.656.70000114.2P356 H360 S361P356-S358 VanDerWaalsContact C-N 3.27Å; P356-S358 PolarHBondContact O-N 3.36Å; S358-H360 PolarHBondContact O-N 3.48Å; S358-S361 PolarHBondContact O-N 2.84Å; S358-S361 PolarHBondContact O-OG 2.81Å
359S56.8Low60.3Low58 Ų5891.6 Ų91.641%0.40650%0.504SS..G310 helixtrans-69.2-17177.2-39.30000112.3P356 E357P356-S359 VanDerWaalsContact O-CB 3.25Å; P356-S359 WeakPolarHBondContact O-CB 3.39Å; P356-S359 PolarHBondContact O-N 2.71Å; P356-S359 PolarHBondContact O-OG 3.2Å; E357-S359 PolarHBondContact O-N 2.74Å
360H50.7Low56.8Low109 Ų10995.5 Ų95.551%0.50554%0.536SS..G310 helixtrans-79.3-19.3179-77.7-78.3000114.5E357 S358 F362 L419E357-H360 WeakPolarHBondContact O-CB 3.47Å; E357-H360 PolarHBondContact O-N 3.29Å; S358-H360 PolarHBondContact O-N 3.48Å; H360-F362 VanDerWaalsContact C-N 3.26Å; H360-F362 PolarHBondContact O-N 2.92Å; H360-L419 WeakPolarHBondContact NE2-CD2 3.44Å
361S36.2Very low53.6Low95 Ų9599.6 Ų99.666%0.66457%0.57SS**G310 helixtrans-84.214.4-174.467.60000115S358 T363S358-S361 PolarHBondContact O-N 2.84Å; S358-S361 PolarHBondContact O-OG 2.81Å; S361-T363 VanDerWaalsContact C-N 3.3Å; S361-T363 PolarHBondContact O-N 3.15Å
362F33.2Very low50.4Low178 Ų178100 Ų10078%0.78158%0.584SS**  trans-82.576.4172.6-76.5-81.3000110.9H360H360-F362 VanDerWaalsContact C-N 3.26Å; H360-F362 PolarHBondContact O-N 2.92Å
363T29.3Very low47.2Very low106 Ų106103.6 Ų103.665%0.6559%0.592SS**  trans-59.4129.714750.30000107.4S361 S365S361-T363 VanDerWaalsContact C-N 3.3Å; S361-T363 PolarHBondContact O-N 3.15Å; T363-S365 PolarHBondContact O-N 3.39Å
364P27.5Very low43.9Very low134 Ų134113.6 Ų113.687%0.8763%0.629SS**  trans-7477.5-178.930.3-32.8000109.2
365S26.7Very low40.8Very low86 Ų86118 Ų11860%0.60166%0.658SS**  trans-100.4107167.263.50000108.5T363 S367T363-S365 PolarHBondContact O-N 3.39Å; S365-S367 PolarHBondContact O-N 2.97Å
366N24.9Very low37.7Very low173 Ų173122.1 Ų122.193%0.92569%0.689SS**  trans-42104.1165-77-31.1000111.1
367S29.5Very low34.8Very low88 Ų88126.3 Ų126.362%0.61570%0.704SS**  trans-156.2103.415453.70000110.6S365 R369S365-S367 PolarHBondContact O-N 2.97Å; S367-R369 PolarHBondContact O-N 2.79Å
368S26.1Very low32.6Very low125 Ų125127.9 Ų127.987%0.87471%0.714SS**  trans-59.396.1161.240.40000109.6
369R28.4Very low31.2Very low225 Ų225131 Ų13185%0.84973%0.731SS**  trans-126.290.2161.6-79.9-173177.4168.30.5110S367 A371S367-R369 PolarHBondContact O-N 2.79Å; R369-A371 PolarHBondContact O-N 3.41Å
370S25Very low29.8Very low126 Ų126133.1 Ų133.188%0.88174%0.741SS**  trans-42.3115.6152.1167.20000109.5
371A30.2Very low28.9Very low85 Ų85134.1 Ų134.170%0.70275%0.746SS**  trans-128.295.1171.300000108.6R369 R373R369-A371 PolarHBondContact O-N 3.41Å; A371-R373 PolarHBondContact O-N 3.09Å; A371-R373 VanDerWaalsContact O-N 3.1Å
372S28Very low28.9Very low116 Ų116135.4 Ų135.481%0.81175%0.75SS**  trans-43.3107.9158.7169.50000110.3
373R27.5Very low29.1Very low224 Ų224132.6 Ų132.685%0.84574%0.742SS**  trans-100.5123.1174-108.2179.5174176.2-2.5109.6A371A371-R373 PolarHBondContact O-N 3.09Å; A371-R373 VanDerWaalsContact O-N 3.1Å
374R27.2Very low29.7Very low215 Ų215131.6 Ų131.681%0.81174%0.74SS**  trans-66.4147.2179-77.3177.9173.8170.1-2.3111.2S376R374-S376 VanDerWaalsContact C-N 3.33Å; R374-S376 PolarHBondContact O-N 3.02Å
375P30Very low31Very low108 Ų108130.6 Ų130.670%0.70172%0.719SS**SBendtrans-83.515.1-168.5-9.928.7000116.4E377P375-E377 PolarHBondContact O-N 2.91Å
376S29.3Very low33Very low110 Ų110129.7 Ų129.777%0.76971%0.71SS**THydrogen-bonded Turntrans-94.115.1-168.558.60000116.1R374R374-S376 VanDerWaalsContact C-N 3.33Å; R374-S376 PolarHBondContact O-N 3.02Å
377E27.9Very low35.6Very low133 Ų133122.2 Ų122.262%0.62167%0.67SS**THydrogen-bonded Turntrans-117.718.6-179.3-76.9-178.116900114P375 T379 T380P375-E377 PolarHBondContact O-N 2.91Å; E377-T379 PolarHBondContact O-N 3.03Å; E377-T380 PolarHBondContact O-N 3.03Å
378I30.2Very low38.5Very low120 Ų120118.9 Ų118.962%0.61565%0.647SS**THydrogen-bonded Turntrans-68.4-17.5-173.8-64.5174000112.8
379T30.4Very low41.7Very low138 Ų138113.8 Ų113.885%0.84761%0.609SS**THydrogen-bonded Turntrans-91.4-10.8-176-32.40000114.7E377E377-T379 PolarHBondContact O-N 3.03Å
380T27.8Very low44.9Very low102 Ų102103 Ų10363%0.62657%0.568SS**THydrogen-bonded Turntrans-103.6-7.3179.5-35.40000113E377 V382 L383E377-T380 PolarHBondContact O-N 3.03Å; T380-V382 VanDerWaalsContact C-N 3.26Å; T380-V382 PolarHBondContact O-N 3.39Å; T380-L383 PolarHBondContact O-N 2.8Å
381Q31Very low48.4Very low129 Ų12997.1 Ų97.160%0.60353%0.527SS*.THydrogen-bonded Turntrans-72.5-10.8-175.9-76.9-175.5-13.100115.1L383Q381-L383 PolarHBondContact O-N 2.7Å
382V36.6Very low51.5Low123 Ų12394.2 Ų94.275%0.74550%0.499SS*.THydrogen-bonded Turntrans-74.7-15176-175.10000112.1T380T380-V382 VanDerWaalsContact C-N 3.26Å; T380-V382 PolarHBondContact O-N 3.39Å
383L37.1Very low54.8Low118 Ų11888.7 Ų88.762%0.61846%0.46SS*.SBendtrans-100.5-12.7-174.1-74.7166.7000115.4K4 T380 Q381 R385K4-L383 HydrophobicContact CD-CD2 4.21Å; T380-L383 PolarHBondContact O-N 2.8Å; Q381-L383 PolarHBondContact O-N 2.7Å; L383-R385 PolarHBondContact O-N 3.35Å
384S42.2Very low58.2Low86 Ų8678.9 Ų78.960%0.60142%0.423SS*.  trans-88.267.4166.273.60000109.2T386S384-T386 VanDerWaalsContact C-N 3.28Å; S384-T386 PolarHBondContact O-N 2.97Å
385R55Low61.5Low113 Ų11369 Ų6943%0.42639%0.387SS..  trans-62.3100163.1-77.6-176.2174.6-171.7-6.3105.8F8 L383 E436F8-R385 HydrophobicContact CD2-CB 3.77Å; F8-R385 HydrophobicContact CE2-CB 3.5Å; F8-R385 WeakPolarHBondContact CE2-O 3.46Å; F8-R385 HydrophobicContact CG-CB 4.5Å; F8-R385 HydrophobicContact CZ-CB 4.03Å; L383-R385 PolarHBondContact O-N 3.35Å; R385-E436 IonicContact CZ-OE1 3.75Å; R385-E436 IonicContact NH1-OE1 2.66Å; R385-E436 PolarHBondContact NH1-OE1 3.12Å; R385-E436 IonicContact NH2-OE1 3.83Å; R385-E436 PolarHBondContact NH2-OE1 2.79Å
386T68.5Low64.7Low67 Ų6764 Ų6441%0.41135%0.354SS..  trans-60.7137.1172.442.30000108.3S384 C388S384-T386 VanDerWaalsContact C-N 3.28Å; S384-T386 PolarHBondContact O-N 2.97Å; T386-C388 PolarHBondContact O-N 2.84Å; T386-C388 PolarHBondContact O-SG 3.38Å; T386-C388 VanDerWaalsContact O-SG 3.4Å
387C80.4Confident67.9Low15 Ų1560.3 Ų60.310%0.10133%0.328CS..  trans-58.5132.5172.4-71.80000109.2L12 E357L12-C387 HydrophobicContact CD1-CB 3.91Å; E357-C387 HydrophobicContact CB-CB 4.31Å; E357-C387 WeakPolarHBondContact CB-O 3.39Å; E357-C387 PolarHBondContact N-O 3.23Å
388C89.3Confident71Confident19 Ų1959 Ų5913%0.12832%0.324CS..EExtended strand (participates in β ladder)trans-116.3136.6-178.4-67.80000110.3V354 I355 T386 Q425V354-C388 HydrophobicContact CB-CB 3.93Å; V354-C388 HydrophobicContact CG2-CB 3.73Å; I355-C388 CarbonylContact O-C 3.5Å; I355-C388 WeakPolarHBondContact O-CA 3.29Å; T386-C388 PolarHBondContact O-N 2.84Å; T386-C388 PolarHBondContact O-SG 3.38Å; T386-C388 VanDerWaalsContact O-SG 3.4Å; C388-Q425 PolarHBondContact O-NE2 3.14Å; C388-Q425 VanDerWaalsContact O-NE2 3.14Å
389Y94.2Very high74.1Confident17 Ų1760.9 Ų60.97%0.06733%0.33CS..EExtended strand (participates in β ladder)trans-110.3137.6-179.9-60.7-35.7000110.9L12 I355 E357 P420L12-Y389 HydrophobicContact CD1-CE1 4.31Å; I355-Y389 PolarHBondContact N-O 3.05Å; I355-Y389 PolarHBondContact O-N 3.41Å; E357-Y389 HydrophobicContact CB-CE2 3.95Å; E357-Y389 VanDerWaalsContact CD-OH 3.29Å; E357-Y389 HydrophobicContact CG-CE2 3.89Å; E357-Y389 PolarHBondContact OE1-OH 3.28Å; Y389-P420 HydrophobicContact CD1-CB 4.15Å; Y389-P420 HydrophobicContact CD1-CG 4.38Å; Y389-P420 HydrophobicContact CG-CB 4.19Å
390V96.2Very high77.2Confident0 Ų055 Ų550%030%0.296CS..  trans-87.1118.8175.7-176.20000108.3P324 V354 H421 Y428P324-V390 HydrophobicContact CB-CG1 4.07Å; V354-V390 HydrophobicContact CG1-CG2 3.95Å; V390-H421 PolarHBondContact O-N 3.15Å; V390-Y428 VanDerWaalsContact CG2-CB 3.42Å; V390-Y428 HydrophobicContact CG2-CD1 3.97Å; V390-Y428 HydrophobicContact CG2-CD2 4.34Å; V390-Y428 HydrophobicContact CG2-CG 3.66Å
391P96.5Very high80.3Confident1 Ų150.4 Ų50.41%0.00627%0.267CS..  trans-71.2155.817129.6-32.1000110.7P324 I355 Y394 P415 L419P324-P391 HydrophobicContact CG-CG 4.18Å; I355-P391 HydrophobicContact CD1-CB 4.21Å; I355-P391 HydrophobicContact CD1-CG 4.05Å; P391-Y394 HydrophobicContact CG-CD2 4.07Å; P391-Y394 HydrophobicContact CG-CE2 3.32Å; P391-P415 HydrophobicContact CB-CB 3.87Å; P391-P415 HydrophobicContact CG-CB 4.13Å; P391-L419 HydrophobicContact CB-CD1 4.05Å
392E95.9Very high83.3Confident25 Ų2550.1 Ų50.112%0.11727%0.27CS..SBendtrans-60.3-50.7176.9-169.3-179.2148.800111.4R297 W323 A418 H421R297-E392 VanDerWaalsContact CZ-CD 3.46Å; R297-E392 IonicContact CZ-OE1 2.75Å; R297-E392 IonicContact CZ-OE2 3.29Å; R297-E392 VanDerWaalsContact CZ-OE2 3.26Å; R297-E392 IonicContact NH1-OE1 3.88Å; R297-E392 PolarHBondContact NH1-OE1 3.44Å; R297-E392 IonicContact NH1-OE2 3.97Å; R297-E392 PolarHBondContact NH1-OE2 3.14Å; R297-E392 VanDerWaalsContact NH2-CD 3.26Å; R297-E392 IonicContact NH2-OE1 3.51Å; R297-E392 PolarHBondContact NH2-OE1 3.32Å; R297-E392 IonicContact NH2-OE2 3.56Å; R297-E392 PolarHBondContact NH2-OE2 2.62Å; W323-E392 HydrophobicContact CE3-CG 4.31Å; W323-E392 HydrophobicContact CH2-CG 3.68Å; W323-E392 HydrophobicContact CZ3-CG 3.48Å; W323-E392 VanDerWaalsContact CZ3-CG 3.48Å; E392-A418 HydrophobicContact CB-CB 4.41Å; E392-A418 PolarHBondContact N-O 2.97Å; E392-A418 PolarHBondContact OE2-N 2.91Å; E392-H421 HydrophobicContact CB-CB 3.88Å; E392-H421 HydrophobicContact CG-CB 4.43Å
393S97.4Very high86.1Confident0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-153.7167.9175.465.50000113.2E322 V416E322-S393 CarbonylContact O-C 3.54Å; E322-S393 WeakPolarHBondContact O-CA 3.3Å; S393-V416 PolarHBondContact N-O 3.43Å; S393-V416 PolarHBondContact O-N 2.84Å; S393-V416 VanDerWaalsContact O-O 3.09Å; S393-V416 WeakPolarHBondContact OG-CG2 3.23Å
394Y98.3Very high88.8Confident17 Ų1740.5 Ų40.57%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-111.5124.2171.2-82.3-94.4000109.7Y286 C321 E322 P324 V353 P391 R413 V414 P415Y286-Y394 AromaticContact CD1-CD1 3.48Å; Y286-Y394 HydrophobicContact CD1-CD1 3.48Å; Y286-Y394 VanDerWaalsContact CD1-CD1 3.48Å; Y286-Y394 HydrophobicContact CD1-CD2 4.17Å; Y286-Y394 AromaticContact CD1-CE1 3.74Å; Y286-Y394 HydrophobicContact CD1-CE1 3.74Å; Y286-Y394 HydrophobicContact CD1-CE2 4.39Å; Y286-Y394 AromaticContact CD1-CG 3.73Å; Y286-Y394 HydrophobicContact CD1-CG 3.73Å; Y286-Y394 AromaticContact CE1-CD1 4Å; Y286-Y394 HydrophobicContact CE1-CD1 4Å; Y286-Y394 HydrophobicContact CE1-CE1 4.12Å; Y286-Y394 HydrophobicContact CG-CD1 4.1Å; Y286-Y394 HydrophobicContact CG-CD2 4.41Å; Y286-Y394 AromaticContact CG-CG 3.93Å; Y286-Y394 HydrophobicContact CG-CG 3.93Å; C321-Y394 VanDerWaalsContact CA-O 3.3Å; C321-Y394 WeakPolarHBondContact CA-O 3.48Å; E322-Y394 PolarHBondContact N-O 3.18Å; E322-Y394 PolarHBondContact O-N 2.71Å; P324-Y394 HydrophobicContact CG-CD2 3.49Å; P324-Y394 VanDerWaalsContact CG-CD2 3.49Å; P324-Y394 HydrophobicContact CG-CE2 3.5Å; V353-Y394 HydrophobicContact CB-CE2 4.05Å; V353-Y394 WeakPolarHBondContact O-CE2 3.36Å; V353-Y394 PolarHBondContact O-OH 2.92Å; P391-Y394 HydrophobicContact CG-CD2 4.07Å; P391-Y394 HydrophobicContact CG-CE2 3.32Å; Y394-R413 HydrophobicContact CD1-CB 4.29Å; Y394-V414 CarbonylContact C-O 3.6Å; Y394-V414 WeakPolarHBondContact CA-O 3.12Å; Y394-P415 HydrophobicContact CD1-CB 4.38Å; Y394-P415 HydrophobicContact CE1-CB 3.97Å; Y394-P415 HydrophobicContact CE1-CG 4.35Å
395S97.5Very high91.1Very high8 Ų840.6 Ų40.66%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-113.4148.8-179.8-172.70000111R297 R413 V414R297-S395 PolarHBondContact O-OG 3.05Å; S395-R413 CarbonylContact O-C 3.56Å; S395-R413 WeakPolarHBondContact O-CA 3.47Å; S395-R413 WeakPolarHBondContact O-CB 3.45Å; S395-V414 PolarHBondContact N-O 2.86Å; S395-V414 PolarHBondContact O-N 2.91Å
396L96.8Very high93Very high2 Ų238.4 Ų38.41%0.0122%0.219CC..  trans-80.5125.3175.8-175.467.6000109.9A299 I319 A400 I401 E404 Q411 R413A299-L396 WeakPolarHBondContact CB-O 3.43Å; I319-L396 HydrophobicContact CB-CD2 4.2Å; I319-L396 HydrophobicContact CG2-CD2 3.86Å; L396-A400 HydrophobicContact CD1-CB 3.75Å; L396-A400 HydrophobicContact CG-CB 4.2Å; L396-I401 HydrophobicContact CD2-CG1 4.07Å; L396-I401 HydrophobicContact CG-CG1 4.45Å; L396-E404 HydrophobicContact CD1-CB 4.49Å; L396-E404 HydrophobicContact CD2-CB 3.47Å; L396-E404 VanDerWaalsContact CD2-CB 3.47Å; L396-E404 HydrophobicContact CD2-CG 3.72Å; L396-Q411 HydrophobicContact CD1-CB 3.52Å; L396-Q411 HydrophobicContact CD1-CG 4.44Å; L396-R413 HydrophobicContact CB-CG 4.29Å; L396-R413 HydrophobicContact CD1-CG 4.31Å
397P96.2Very high94.1Very high34 Ų3441.2 Ų41.222%0.22123%0.227CC..  trans-58.1147.4174.5-24.334.5000112.2E399 A400 I401 T412 V414P397-E399 WeakPolarHBondContact CB-OE2 3.45Å; P397-E399 PolarHBondContact O-N 3.34Å; P397-A400 PolarHBondContact O-N 2.85Å; P397-I401 PolarHBondContact O-N 3.47Å; P397-T412 WeakPolarHBondContact CD-O 3.47Å; P397-V414 HydrophobicContact CG-CG1 3.79Å; P397-V414 HydrophobicContact CG-CG2 3.98Å
398I94.1Very high94.6Very high104 Ų10444.5 Ų44.553%0.53325%0.249SC..G310 helixtrans-59.5-33.4-174.8-165.2163.4000112.3A299 A400 I401A299-I398 HydrophobicContact CB-CB 3.98Å; A299-I398 HydrophobicContact CB-CG1 4.47Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.17Å; I398-I401 HydrophobicContact CG1-CD1 4.13Å; I398-I401 PolarHBondContact O-N 3.42Å
399E95.2Very high94.5Very high160 Ų16049.4 Ų49.475%0.74827%0.269SS*.G310 helixtrans-72.1-20.2-179.3-5279.2-172.400112.8P397P397-E399 WeakPolarHBondContact CB-OE2 3.45Å; P397-E399 PolarHBondContact O-N 3.34Å
400A94.8Very high94.3Very high16 Ų1652.1 Ų52.113%0.13229%0.288CS..G310 helixtrans-96.4-8.1-178.100000113.2L396 P397 I398 D402 A403 E404 Q411L396-A400 HydrophobicContact CD1-CB 3.75Å; L396-A400 HydrophobicContact CG-CB 4.2Å; P397-A400 PolarHBondContact O-N 2.85Å; I398-A400 VanDerWaalsContact C-N 3.26Å; I398-A400 PolarHBondContact O-N 3.17Å; A400-D402 PolarHBondContact O-N 3.46Å; A400-A403 PolarHBondContact O-N 3.47Å; A400-E404 PolarHBondContact O-N 3.38Å; A400-Q411 HydrophobicContact CB-CB 4.12Å; A400-Q411 HydrophobicContact CB-CG 4.2Å
401I93.7Very high94.2Very high5 Ų554.9 Ų54.93%0.02630%0.301CS..Hα-helixtrans-57.3-50.6-175.4-68.5178.7000112.3A299 R300 I319 L396 P397 I398 A403 E404 I405A299-I401 HydrophobicContact CB-CD1 4.03Å; R300-I401 HydrophobicContact CG-CD1 3.87Å; R300-I401 VanDerWaalsContact NH2-CG2 3.33Å; I319-I401 HydrophobicContact CD1-CD1 4.27Å; I319-I401 HydrophobicContact CG2-CG2 4.26Å; L396-I401 HydrophobicContact CD2-CG1 4.07Å; L396-I401 HydrophobicContact CG-CG1 4.45Å; P397-I401 PolarHBondContact O-N 3.47Å; I398-I401 HydrophobicContact CG1-CD1 4.13Å; I398-I401 PolarHBondContact O-N 3.42Å; I401-A403 VanDerWaalsContact C-N 3.25Å; I401-A403 PolarHBondContact O-N 3.28Å; I401-E404 PolarHBondContact O-N 3.32Å; I401-I405 HydrophobicContact CG2-CD1 3.66Å; I401-I405 HydrophobicContact CG2-CG1 4.33Å; I401-I405 WeakPolarHBondContact O-CG1 3.39Å; I401-I405 PolarHBondContact O-N 3.32Å
402D94Very high94.1Very high122 Ų12259.1 Ų59.165%0.65233%0.327SS*.Hα-helixtrans-65.2-34.4-175.5-66-23.8000111.4A400 A406A400-D402 PolarHBondContact O-N 3.46Å; D402-A406 WeakPolarHBondContact O-CB 3.43Å; D402-A406 PolarHBondContact O-N 3.16Å; D402-A406 VanDerWaalsContact O-N 3.09Å
403A95Very high94.2Very high38 Ų3858.4 Ų58.431%0.31432%0.323SS..Hα-helixtrans-70.2-37.5175.800000112.4A400 I401 A406 H407 Q411A400-A403 PolarHBondContact O-N 3.47Å; I401-A403 VanDerWaalsContact C-N 3.25Å; I401-A403 PolarHBondContact O-N 3.28Å; A403-A406 PolarHBondContact O-N 2.75Å; A403-H407 PolarHBondContact O-N 3.23Å; A403-Q411 HydrophobicContact CB-CG 4Å
404E93.9Very high94.1Very high2 Ų261.5 Ų61.51%0.00934%0.342CS..Hα-helixtrans-68.7-41.7175-174.978.6156.900111.7L396 A400 I401 A406 H407 P408 H409 T410 Q411 R413L396-E404 HydrophobicContact CD1-CB 4.49Å; L396-E404 HydrophobicContact CD2-CB 3.47Å; L396-E404 VanDerWaalsContact CD2-CB 3.47Å; L396-E404 HydrophobicContact CD2-CG 3.72Å; A400-E404 PolarHBondContact O-N 3.38Å; I401-E404 PolarHBondContact O-N 3.32Å; E404-A406 VanDerWaalsContact C-N 3.28Å; E404-A406 PolarHBondContact O-N 2.85Å; E404-H407 CarbonylContact O-C 3.54Å; E404-H407 PolarHBondContact O-N 3.48Å; E404-P408 WeakPolarHBondContact O-CA 3.29Å; E404-H409 PolarHBondContact OE1-N 2.96Å; E404-H409 PolarHBondContact OE2-N 2.96Å; E404-T410 PolarHBondContact OE2-N 2.89Å; E404-Q411 HydrophobicContact CB-CB 4.19Å; E404-Q411 HydrophobicContact CB-CG 3.69Å; E404-Q411 VanDerWaalsContact OE2-CB 3.3Å; E404-Q411 WeakPolarHBondContact OE2-CB 3.49Å; E404-Q411 WeakPolarHBondContact OE2-CG 3.44Å; E404-Q411 PolarHBondContact OE2-N 3.03Å; E404-R413 IonicContact OE1-CZ 3.66Å; E404-R413 IonicContact OE1-NH1 3.03Å; E404-R413 PolarHBondContact OE1-NH1 2.71Å; E404-R413 IonicContact OE1-NH2 3.13Å; E404-R413 PolarHBondContact OE1-NH2 2.97Å; E404-R413 VanDerWaalsContact OE1-NH2 3.12Å
405I91Very high94Very high88 Ų8863.7 Ų63.745%0.45136%0.358SS..Hα-helixtrans-63.1-39.3176.6-68170.2000110.4I319 I401I319-I405 HydrophobicContact CG2-CG1 4.28Å; I401-I405 HydrophobicContact CG2-CD1 3.66Å; I401-I405 HydrophobicContact CG2-CG1 4.33Å; I401-I405 WeakPolarHBondContact O-CG1 3.39Å; I401-I405 PolarHBondContact O-N 3.32Å
406A93.9Very high93.9Very high67 Ų6765.4 Ų65.455%0.55437%0.368SS*.Hα-helixtrans-68.4-40.317700000112.5D402 A403 E404D402-A406 WeakPolarHBondContact O-CB 3.43Å; D402-A406 PolarHBondContact O-N 3.16Å; D402-A406 VanDerWaalsContact O-N 3.09Å; A403-A406 PolarHBondContact O-N 2.75Å; E404-A406 VanDerWaalsContact C-N 3.28Å; E404-A406 PolarHBondContact O-N 2.85Å
407H92.5Very high93.6Very high126 Ų12667.6 Ų67.658%0.58339%0.391SS*.SBendtrans-134.789.8178.6-54.794.1000109.9A403 E404 T410A403-H407 PolarHBondContact O-N 3.23Å; E404-H407 CarbonylContact O-C 3.54Å; E404-H407 PolarHBondContact O-N 3.48Å; H407-T410 HydrophobicContact CB-CG2 3.65Å; H407-T410 WeakPolarHBondContact O-CB 3.09Å; H407-T410 VanDerWaalsContact O-CG2 3.29Å; H407-T410 WeakPolarHBondContact O-CG2 3.23Å; H407-T410 PolarHBondContact O-N 3.28Å; H407-T410 PolarHBondContact O-OG1 3.49Å
408P89.5Confident93.4Very high84 Ų8467.1 Ų67.155%0.54539%0.39SS..THydrogen-bonded Turntrans-55.7143.4-176.8-28.836000113.1E404 T410E404-P408 WeakPolarHBondContact O-CA 3.29Å; P408-T410 VanDerWaalsContact C-N 3.28Å; P408-T410 PolarHBondContact O-N 3.32Å
409H87.1Confident93.3Very high121 Ų12164.9 Ų64.956%0.5638%0.379SS*.THydrogen-bonded Turntrans63.824.6178.6-46.1-66000115.1E404E404-H409 PolarHBondContact OE1-N 2.96Å; E404-H409 PolarHBondContact OE2-N 2.96Å
410T90.5Very high93.2Very high74 Ų7457.7 Ų57.745%0.45435%0.346SS..  trans-103.8-25.8179.661.80000113.5E404 H407 P408E404-T410 PolarHBondContact OE2-N 2.89Å; H407-T410 HydrophobicContact CB-CG2 3.65Å; H407-T410 WeakPolarHBondContact O-CB 3.09Å; H407-T410 VanDerWaalsContact O-CG2 3.29Å; H407-T410 WeakPolarHBondContact O-CG2 3.23Å; H407-T410 PolarHBondContact O-N 3.28Å; H407-T410 PolarHBondContact O-OG1 3.49Å; P408-T410 VanDerWaalsContact C-N 3.28Å; P408-T410 PolarHBondContact O-N 3.32Å
411Q94.4Very high93.2Very high58 Ų5857.5 Ų57.527%0.27134%0.342SS..SBendtrans-87.4150.2-174.1-56.2-53-56.100112.4L396 A400 A403 E404L396-Q411 HydrophobicContact CD1-CB 3.52Å; L396-Q411 HydrophobicContact CD1-CG 4.44Å; A400-Q411 HydrophobicContact CB-CB 4.12Å; A400-Q411 HydrophobicContact CB-CG 4.2Å; A403-Q411 HydrophobicContact CB-CG 4Å; E404-Q411 HydrophobicContact CB-CB 4.19Å; E404-Q411 HydrophobicContact CB-CG 3.69Å; E404-Q411 VanDerWaalsContact OE2-CB 3.3Å; E404-Q411 WeakPolarHBondContact OE2-CB 3.49Å; E404-Q411 WeakPolarHBondContact OE2-CG 3.44Å; E404-Q411 PolarHBondContact OE2-N 3.03Å
412T95.1Very high93.3Very high91 Ų9157.4 Ų57.456%0.55834%0.342SS*.PPolyproline II helixtrans-82.9131.7178.1-60.40000109.8Y286 P397Y286-T412 WeakPolarHBondContact OH-CA 3.36Å; Y286-T412 WeakPolarHBondContact OH-CG2 3.5Å; P397-T412 WeakPolarHBondContact CD-O 3.47Å
413R96.8Very high93.3Very high10 Ų1051.8 Ų51.84%0.03831%0.312CS..PPolyproline II helixtrans-95153.6175.5-65.8-178.3164.238.7-4.9110.3Y286 G318 E322 Y394 S395 L396 E404Y286-R413 HydrophobicContact CD2-CB 3.95Å; Y286-R413 HydrophobicContact CD2-CG 4.13Å; Y286-R413 HydrophobicContact CE2-CB 3.87Å; Y286-R413 HydrophobicContact CE2-CG 4.07Å; Y286-R413 HydrophobicContact CG-CB 4.36Å; Y286-R413 PolarHBondContact OH-N 3.12Å; G318-R413 PolarHBondContact O-NH2 2.86Å; E322-R413 IonicContact OE1-NE 3.46Å; Y394-R413 HydrophobicContact CD1-CB 4.29Å; S395-R413 CarbonylContact O-C 3.56Å; S395-R413 WeakPolarHBondContact O-CA 3.47Å; S395-R413 WeakPolarHBondContact O-CB 3.45Å; L396-R413 HydrophobicContact CB-CG 4.29Å; L396-R413 HydrophobicContact CD1-CG 4.31Å; E404-R413 IonicContact OE1-CZ 3.66Å; E404-R413 IonicContact OE1-NH1 3.03Å; E404-R413 PolarHBondContact OE1-NH1 2.71Å; E404-R413 IonicContact OE1-NH2 3.13Å; E404-R413 PolarHBondContact OE1-NH2 2.97Å; E404-R413 VanDerWaalsContact OE1-NH2 3.12Å
414V96.3Very high93.4Very high65 Ų6550 Ų5039%0.39430%0.297SS..EExtended strand (participates in β ladder)trans-110.2144.3179.5-63.80000110.7Y394 S395 P397 V416Y394-V414 CarbonylContact C-O 3.6Å; Y394-V414 WeakPolarHBondContact CA-O 3.12Å; S395-V414 PolarHBondContact N-O 2.86Å; S395-V414 PolarHBondContact O-N 2.91Å; P397-V414 HydrophobicContact CG-CG1 3.79Å; P397-V414 HydrophobicContact CG-CG2 3.98Å; V414-V416 HydrophobicContact CG2-CG1 4.39Å
415P96.4Very high93.6Very high62 Ų6249.9 Ų49.940%0.40330%0.296SS..EExtended strand (participates in β ladder)trans-68.4135.5178.529.1-34.7000110.8I355 P391 Y394I355-P415 HydrophobicContact CD1-CB 3.64Å; I355-P415 HydrophobicContact CD1-CG 3.7Å; P391-P415 HydrophobicContact CB-CB 3.87Å; P391-P415 HydrophobicContact CG-CB 4.13Å; Y394-P415 HydrophobicContact CD1-CB 4.38Å; Y394-P415 HydrophobicContact CE1-CB 3.97Å; Y394-P415 HydrophobicContact CE1-CG 4.35Å
416V94Very high93.8Very high45 Ų4545.8 Ų45.827%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-136.8153.5178.4-61.90000110.7S393 V414S393-V416 PolarHBondContact N-O 3.43Å; S393-V416 PolarHBondContact O-N 2.84Å; S393-V416 VanDerWaalsContact O-O 3.09Å; S393-V416 WeakPolarHBondContact OG-CG2 3.23Å; V414-V416 HydrophobicContact CG2-CG1 4.39Å
417G91.3Very high94Very high47 Ų4742.7 Ų42.749%0.48525%0.249SC..SBendtrans95.9-156.5178.500000116.1
418A91.8Very high94.3Very high25 Ų2537.5 Ų37.521%0.20723%0.225CC..  trans-63.4137.2174.700000111.1E392 H421E392-A418 HydrophobicContact CB-CB 4.41Å; E392-A418 PolarHBondContact N-O 2.97Å; E392-A418 PolarHBondContact OE2-N 2.91Å; A418-H421 HydrophobicContact CB-CB 4.33Å
419L91.8Very high94.6Very high56 Ų5633.5 Ų33.529%0.29320%0.199SC..SBendtrans-145.9110.7174.8-179.563.7000108.3I355 H360 P391I355-L419 HydrophobicContact CD1-CD1 4.11Å; I355-L419 HydrophobicContact CD1-CD2 3.76Å; I355-L419 HydrophobicContact CG2-CD2 4.48Å; H360-L419 WeakPolarHBondContact NE2-CD2 3.44Å; P391-L419 HydrophobicContact CB-CD1 4.05Å
420P93Very high95.1Very high10 Ų1027.8 Ų27.87%0.06517%0.172CC..SBendcis-65.6145.2-7.329.7-34.5000111.9Y389 I422 Q425Y389-P420 HydrophobicContact CD1-CB 4.15Å; Y389-P420 HydrophobicContact CD1-CG 4.38Å; Y389-P420 HydrophobicContact CG-CB 4.19Å; P420-I422 PolarHBondContact O-N 3.24Å; P420-Q425 HydrophobicContact CB-CB 4.14Å; P420-Q425 HydrophobicContact CB-CG 4.09Å
421H94.7Very high95.5Very high12 Ų1224.2 Ų24.26%0.05615%0.151CC..  trans-80109.8165172.1-137.1000108.8V390 E392 A418 W423 G424 Q425V390-H421 PolarHBondContact O-N 3.15Å; E392-H421 HydrophobicContact CB-CB 3.88Å; E392-H421 HydrophobicContact CG-CB 4.43Å; A418-H421 HydrophobicContact CB-CB 4.33Å; H421-W423 VanDerWaalsContact C-N 3.3Å; H421-W423 PolarHBondContact O-N 3.08Å; H421-G424 PolarHBondContact ND1-N 3.46Å; H421-G424 CarbonylContact O-C 3.51Å; H421-G424 PolarHBondContact O-N 2.9Å; H421-Q425 VanDerWaalsContact O-CB 3.26Å; H421-Q425 WeakPolarHBondContact O-CB 3.41Å; H421-Q425 PolarHBondContact O-N 2.93Å
422I95.7Very high95.6Very high3 Ų321.6 Ų21.62%0.01514%0.139CC..Hα-helixtrans-52.1-45.2-169.3-60.3-58.5000113.1Y20 I28 A45 P420 S426Y20-I422 HydrophobicContact CD2-CD1 4.07Å; Y20-I422 HydrophobicContact CE2-CD1 4.49Å; I28-I422 HydrophobicContact CG2-CD1 4.33Å; I28-I422 HydrophobicContact CG2-CG1 4.36Å; I28-I422 HydrophobicContact CG2-CG2 4.14Å; A45-I422 HydrophobicContact CB-CG2 3.93Å; P420-I422 PolarHBondContact O-N 3.24Å; I422-S426 WeakPolarHBondContact O-CB 3.42Å; I422-S426 PolarHBondContact O-N 3.35Å
423W95.4Very high95.6Very high4 Ų417.3 Ų17.32%0.01511%0.112CC..Hα-helixtrans-65-51.6177.5179.913.6000112R40 Y44 I178 W179 M325 W329 H421 Q425 S426 L427R40-W423 HydrophobicContact CG-CH2 4.49Å; R40-W423 HydrophobicContact CG-CZ2 4.47Å; Y44-W423 AromaticContact CD1-CD1 3.82Å; Y44-W423 AromaticContact CD1-NE1 3.4Å; Y44-W423 AromaticContact CD2-CD1 3.59Å; Y44-W423 HydrophobicContact CD2-CD2 4.27Å; Y44-W423 AromaticContact CD2-CE2 3.57Å; Y44-W423 HydrophobicContact CD2-CG 4.25Å; Y44-W423 HydrophobicContact CD2-CZ2 4.03Å; Y44-W423 AromaticContact CD2-NE1 3.13Å; Y44-W423 AromaticContact CE1-NE1 3.68Å; Y44-W423 AromaticContact CE2-CE2 3.61Å; Y44-W423 AromaticContact CE2-CZ2 3.59Å; Y44-W423 HydrophobicContact CE2-CZ2 3.59Å; Y44-W423 AromaticContact CE2-NE1 3.42Å; Y44-W423 AromaticContact CG-CD1 3.31Å; Y44-W423 HydrophobicContact CG-CG 4.29Å; Y44-W423 AromaticContact CG-NE1 3.13Å; Y44-W423 AromaticContact CZ-NE1 3.69Å; I178-W423 HydrophobicContact CD1-CH2 3.67Å; I178-W423 HydrophobicContact CD1-CZ2 4.21Å; I178-W423 HydrophobicContact CG1-CH2 3.88Å; W179-W423 HydrophobicContact CH2-CH2 4.41Å; W179-W423 HydrophobicContact CH2-CZ3 4.49Å; W179-W423 HydrophobicContact CZ3-CH2 4.28Å; W179-W423 AromaticContact CZ3-CZ3 3.98Å; W179-W423 HydrophobicContact CZ3-CZ3 3.98Å; M325-W423 HydrophobicContact CE-CE3 4.47Å; M325-W423 HydrophobicContact CE-CH2 4.24Å; M325-W423 HydrophobicContact CE-CZ3 4.19Å; M325-W423 HydrophobicContact SD-CD2 4.29Å; M325-W423 HydrophobicContact SD-CE3 4.31Å; W329-W423 HydrophobicContact CH2-CH2 4.1Å; W329-W423 AromaticContact CH2-CZ2 3.36Å; W329-W423 HydrophobicContact CH2-CZ2 3.36Å; W329-W423 HydrophobicContact CZ2-CZ2 4.03Å; W329-W423 HydrophobicContact CZ3-CZ2 4.13Å; H421-W423 VanDerWaalsContact C-N 3.3Å; H421-W423 PolarHBondContact O-N 3.08Å; W423-Q425 VanDerWaalsContact C-N 3.31Å; W423-Q425 PolarHBondContact O-N 3.22Å; W423-S426 WeakPolarHBondContact O-CB 3.38Å; W423-S426 PolarHBondContact O-N 3.34Å; W423-L427 PolarHBondContact O-N 3.1Å
424G96.7Very high95.5Very high0 Ų017.3 Ų17.30%011%0.113CC..Hα-helixtrans-61.3-38.6178.200000113H421 L427 Y428H421-G424 PolarHBondContact ND1-N 3.46Å; H421-G424 CarbonylContact O-C 3.51Å; H421-G424 PolarHBondContact O-N 2.9Å; G424-L427 PolarHBondContact O-N 3.07Å; G424-Y428 WeakPolarHBondContact O-CB 3.4Å; G424-Y428 PolarHBondContact O-N 3.06Å
425Q97Very high95.5Very high0 Ų017.8 Ų17.80%011%0.108CC..Hα-helixtrans-64.7-42.2176.7-169.466.527.500111.3S16 I17 C388 P420 H421 W423 Y428 I429S16-Q425 WeakPolarHBondContact OG-CG 3.22Å; I17-Q425 HydrophobicContact CD1-CB 4.49Å; I17-Q425 HydrophobicContact CD1-CG 4.33Å; I17-Q425 HydrophobicContact CG1-CG 4.29Å; C388-Q425 PolarHBondContact O-NE2 3.14Å; C388-Q425 VanDerWaalsContact O-NE2 3.14Å; P420-Q425 HydrophobicContact CB-CB 4.14Å; P420-Q425 HydrophobicContact CB-CG 4.09Å; H421-Q425 VanDerWaalsContact O-CB 3.26Å; H421-Q425 WeakPolarHBondContact O-CB 3.41Å; H421-Q425 PolarHBondContact O-N 2.93Å; W423-Q425 VanDerWaalsContact C-N 3.31Å; W423-Q425 PolarHBondContact O-N 3.22Å; Q425-Y428 PolarHBondContact O-N 3.34Å; Q425-I429 HydrophobicContact CG-CD1 4.31Å; Q425-I429 WeakPolarHBondContact O-CG1 3.43Å; Q425-I429 PolarHBondContact O-N 3.19Å
426S97.1Very high95.4Very high1 Ų117.2 Ų17.21%0.00710%0.1CC..Hα-helixtrans-61.6-47.5175.9-170.60000111.4Y44 A45 S48 I422 W423 Y428 I429 L430Y44-S426 WeakPolarHBondContact O-CB 3.24Å; Y44-S426 PolarHBondContact O-OG 3.22Å; A45-S426 WeakPolarHBondContact CA-OG 3.43Å; S48-S426 WeakPolarHBondContact CB-O 3.29Å; S48-S426 WeakPolarHBondContact CB-OG 3.25Å; S48-S426 PolarHBondContact N-OG 3.19Å; S48-S426 PolarHBondContact OG-OG 2.8Å; I422-S426 WeakPolarHBondContact O-CB 3.42Å; I422-S426 PolarHBondContact O-N 3.35Å; W423-S426 WeakPolarHBondContact O-CB 3.38Å; W423-S426 PolarHBondContact O-N 3.34Å; S426-Y428 VanDerWaalsContact C-N 3.31Å; S426-Y428 PolarHBondContact O-N 3.24Å; S426-I429 PolarHBondContact O-N 3.06Å; S426-L430 WeakPolarHBondContact O-CB 3.28Å; S426-L430 PolarHBondContact O-N 3.36Å
427L97.6Very high95.3Very high3 Ų317.4 Ų17.42%0.01611%0.111CC..Hα-helixtrans-62.3-38.5176.5-71176.3000112Y44 M325 A328 W329 I332 W423 G424 L430 A431Y44-L427 HydrophobicContact CD1-CD2 3.97Å; Y44-L427 HydrophobicContact CD1-CG 4.46Å; Y44-L427 HydrophobicContact CE1-CD2 4.18Å; M325-L427 HydrophobicContact CB-CD1 4.48Å; A328-L427 HydrophobicContact CB-CB 3.94Å; W329-L427 HydrophobicContact CD2-CD1 3.77Å; W329-L427 HydrophobicContact CE3-CD1 3.95Å; W329-L427 HydrophobicContact CG-CD1 4.32Å; W329-L427 HydrophobicContact CH2-CD1 4.43Å; W329-L427 HydrophobicContact CZ2-CD1 4.17Å; W329-L427 HydrophobicContact CZ3-CD1 4.3Å; I332-L427 HydrophobicContact CD1-CD2 4.18Å; W423-L427 PolarHBondContact O-N 3.1Å; G424-L427 PolarHBondContact O-N 3.07Å; L427-L430 PolarHBondContact O-N 3.15Å; L427-A431 WeakPolarHBondContact O-CB 3.11Å; L427-A431 PolarHBondContact O-N 3.35Å
428Y97.6Very high95.4Very high17 Ų1715.6 Ų15.67%0.0679%0.09CC..Hα-helixtrans-63.4-46.4176.2168.1-110.2000112.8L12 L350 V354 V390 G424 Q425 S426 L430 A431 S432L12-Y428 HydrophobicContact CD2-CD1 4.4Å; L12-Y428 HydrophobicContact CD2-CE1 3.9Å; L350-Y428 HydrophobicContact CD1-CD2 4.26Å; L350-Y428 HydrophobicContact CD2-CD2 3.72Å; L350-Y428 HydrophobicContact CD2-CE2 4.29Å; L350-Y428 HydrophobicContact CG-CD2 3.91Å; L350-Y428 HydrophobicContact CG-CE2 4.21Å; V354-Y428 HydrophobicContact CG1-CD2 4.29Å; V354-Y428 HydrophobicContact CG1-CE2 4.09Å; V390-Y428 VanDerWaalsContact CG2-CB 3.42Å; V390-Y428 HydrophobicContact CG2-CD1 3.97Å; V390-Y428 HydrophobicContact CG2-CD2 4.34Å; V390-Y428 HydrophobicContact CG2-CG 3.66Å; G424-Y428 WeakPolarHBondContact O-CB 3.4Å; G424-Y428 PolarHBondContact O-N 3.06Å; Q425-Y428 PolarHBondContact O-N 3.34Å; S426-Y428 VanDerWaalsContact C-N 3.31Å; S426-Y428 PolarHBondContact O-N 3.24Å; Y428-L430 VanDerWaalsContact C-N 3.33Å; Y428-L430 PolarHBondContact O-N 2.65Å; Y428-A431 PolarHBondContact O-N 3.28Å; Y428-S432 WeakPolarHBondContact CE2-OG 3.47Å; Y428-S432 VanDerWaalsContact O-CB 3.23Å; Y428-S432 WeakPolarHBondContact O-CB 3.44Å; Y428-S432 PolarHBondContact O-N 2.93Å; Y428-S432 PolarHBondContact O-OG 2.96Å
429I97.4Very high95.5Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-60.3-48176.4-67.7168.2000109.3L12 L13 I17 Q425 S426 S432 I433L12-I429 HydrophobicContact CD2-CG1 3.96Å; L12-I429 HydrophobicContact CG-CD1 4.3Å; L12-I429 HydrophobicContact CG-CG1 4.29Å; L13-I429 HydrophobicContact CB-CD1 4.24Å; L13-I429 HydrophobicContact CD1-CD1 3.88Å; I17-I429 HydrophobicContact CD1-CD1 4.08Å; Q425-I429 HydrophobicContact CG-CD1 4.31Å; Q425-I429 WeakPolarHBondContact O-CG1 3.43Å; Q425-I429 PolarHBondContact O-N 3.19Å; S426-I429 PolarHBondContact O-N 3.06Å; I429-S432 PolarHBondContact O-N 3.49Å; I429-I433 WeakPolarHBondContact O-CG1 3.45Å; I429-I433 WeakPolarHBondContact O-CG2 3.32Å; I429-I433 PolarHBondContact O-N 2.72Å
430L97.4Very high95.5Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-62.2-48.5-179.8-179.858.8000112.4L47 Y260 I332 S426 L427 Y428 S432 I433 I434 L439 I444L47-L430 HydrophobicContact CB-CD2 4.28Å; Y260-L430 HydrophobicContact CD1-CD2 4.21Å; Y260-L430 HydrophobicContact CE1-CD2 3.76Å; I332-L430 HydrophobicContact CD1-CD2 4.3Å; I332-L430 HydrophobicContact CD1-CG 4.36Å; S426-L430 WeakPolarHBondContact O-CB 3.28Å; S426-L430 PolarHBondContact O-N 3.36Å; L427-L430 PolarHBondContact O-N 3.15Å; Y428-L430 VanDerWaalsContact C-N 3.33Å; Y428-L430 PolarHBondContact O-N 2.65Å; L430-S432 VanDerWaalsContact C-N 3.28Å; L430-S432 PolarHBondContact O-N 3.32Å; L430-I433 HydrophobicContact CD1-CD1 4.09Å; L430-I433 HydrophobicContact CD1-CG1 4.29Å; L430-I433 WeakPolarHBondContact O-CG1 3.13Å; L430-I433 PolarHBondContact O-N 3.39Å; L430-I434 HydrophobicContact CD1-CD1 3.86Å; L430-I434 HydrophobicContact CD1-CG1 4.29Å; L430-I434 HydrophobicContact CG-CD1 4.01Å; L430-I434 WeakPolarHBondContact O-CG1 3.49Å; L430-I434 PolarHBondContact O-N 3.05Å; L430-I434 VanDerWaalsContact O-N 3.1Å; L430-L439 HydrophobicContact CD1-CD2 3.92Å; L430-I444 HydrophobicContact CD1-CD1 3.36Å; L430-I444 HydrophobicContact CD2-CD1 3.96Å; L430-I444 HydrophobicContact CG-CD1 4.3Å
431A97.4Very high95.4Very high0 Ų017.2 Ų17.20%010%0.096CC..Hα-helixtrans-58.9-42.3176.600000111.2A328 V331 I332 L427 Y428 I434 Y435A328-A431 HydrophobicContact CB-CB 4.05Å; A328-A431 WeakPolarHBondContact O-CB 3.43Å; V331-A431 HydrophobicContact CB-CB 4.22Å; V331-A431 HydrophobicContact CG1-CB 4.09Å; I332-A431 HydrophobicContact CD1-CB 4.11Å; I332-A431 HydrophobicContact CG1-CB 3.79Å; L427-A431 WeakPolarHBondContact O-CB 3.11Å; L427-A431 PolarHBondContact O-N 3.35Å; Y428-A431 PolarHBondContact O-N 3.28Å; A431-I434 PolarHBondContact O-N 3.08Å; A431-Y435 WeakPolarHBondContact O-CB 3.33Å; A431-Y435 PolarHBondContact O-N 3.42Å
432S96.2Very high95.2Very high3 Ų318.1 Ų18.12%0.02111%0.108CC..Hα-helixtrans-65.8-43.4-179.7-61.50000112.7Y9 Y428 I429 L430 I434 E436Y9-S432 VanDerWaalsContact CE1-CB 3.49Å; Y428-S432 WeakPolarHBondContact CE2-OG 3.47Å; Y428-S432 VanDerWaalsContact O-CB 3.23Å; Y428-S432 WeakPolarHBondContact O-CB 3.44Å; Y428-S432 PolarHBondContact O-N 2.93Å; Y428-S432 PolarHBondContact O-OG 2.96Å; I429-S432 PolarHBondContact O-N 3.49Å; L430-S432 VanDerWaalsContact C-N 3.28Å; L430-S432 PolarHBondContact O-N 3.32Å; S432-I434 VanDerWaalsContact C-N 3.33Å; S432-E436 WeakPolarHBondContact O-CB 3.3Å; S432-E436 VanDerWaalsContact O-CG 3.26Å; S432-E436 WeakPolarHBondContact O-CG 3.24Å; S432-E436 PolarHBondContact O-N 3.27Å
433I95.7Very high95Very high0 Ų020.9 Ų20.90%012%0.121CC..Hα-helixtrans-70.3-30.3178.863.8177000112.5Y9 I429 L430 L438 L439Y9-I433 HydrophobicContact CD1-CG2 4.18Å; Y9-I433 HydrophobicContact CD2-CG2 3.7Å; Y9-I433 HydrophobicContact CE2-CG2 4.14Å; Y9-I433 HydrophobicContact CG-CG2 3.75Å; I429-I433 WeakPolarHBondContact O-CG1 3.45Å; I429-I433 WeakPolarHBondContact O-CG2 3.32Å; I429-I433 PolarHBondContact O-N 2.72Å; L430-I433 HydrophobicContact CD1-CD1 4.09Å; L430-I433 HydrophobicContact CD1-CG1 4.29Å; L430-I433 WeakPolarHBondContact O-CG1 3.13Å; L430-I433 PolarHBondContact O-N 3.39Å; I433-L438 HydrophobicContact CB-CB 4.39Å; I433-L438 HydrophobicContact CG2-CD1 4.39Å; I433-L438 WeakPolarHBondContact O-CB 3.42Å; I433-L438 PolarHBondContact O-N 3.35Å; I433-L439 HydrophobicContact CD1-CB 4.23Å; I433-L439 HydrophobicContact CD1-CD2 3.81Å; I433-L439 HydrophobicContact CG1-CB 4.16Å; I433-L439 HydrophobicContact CG1-CD2 4.28Å; I433-L439 PolarHBondContact O-N 3.36Å; I433-L439 VanDerWaalsContact O-N 3.1Å
434I96Very high95Very high10 Ų1020.7 Ų20.75%0.05112%0.121CC..Hα-helixtrans-71.5-50.3173.6-67.4171.1000110.2F336 L430 A431 S432 E436 G437 L439 P441F336-I434 HydrophobicContact CE2-CD1 4.44Å; L430-I434 HydrophobicContact CD1-CD1 3.86Å; L430-I434 HydrophobicContact CD1-CG1 4.29Å; L430-I434 HydrophobicContact CG-CD1 4.01Å; L430-I434 WeakPolarHBondContact O-CG1 3.49Å; L430-I434 PolarHBondContact O-N 3.05Å; L430-I434 VanDerWaalsContact O-N 3.1Å; A431-I434 PolarHBondContact O-N 3.08Å; S432-I434 VanDerWaalsContact C-N 3.33Å; I434-E436 VanDerWaalsContact C-N 3.34Å; I434-E436 PolarHBondContact O-N 3.14Å; I434-G437 WeakPolarHBondContact O-CA 3.28Å; I434-G437 PolarHBondContact O-N 3.05Å; I434-L439 WeakPolarHBondContact CA-O 3.12Å; I434-L439 HydrophobicContact CG1-CB 4.22Å; I434-L439 HydrophobicContact CG1-CD2 4.2Å; I434-L439 HydrophobicContact CG1-CG 4.41Å; I434-P441 HydrophobicContact CG2-CG 4.23Å
435Y95.6Very high94.9Very high75 Ų7520.8 Ų20.829%0.29412%0.121SC..Hα-helixtrans-57.4-43.3179.1173.3-98.7000112.7V331 A343 D344 M347 A431 G437V331-Y435 HydrophobicContact CG1-CD2 4.39Å; A343-Y435 HydrophobicContact CB-CD2 4.25Å; A343-Y435 HydrophobicContact CB-CE2 4.43Å; D344-Y435 WeakPolarHBondContact OD1-CE2 3.3Å; D344-Y435 VanDerWaalsContact OD1-CZ 3.24Å; D344-Y435 PolarHBondContact OD1-OH 3.32Å; M347-Y435 HydrophobicContact CB-CD2 4.16Å; M347-Y435 HydrophobicContact CB-CE1 4.38Å; M347-Y435 HydrophobicContact CB-CE2 3.97Å; M347-Y435 HydrophobicContact CB-CG 4.45Å; M347-Y435 HydrophobicContact CE-CD1 3.86Å; M347-Y435 HydrophobicContact CE-CD2 4.38Å; M347-Y435 HydrophobicContact CE-CG 3.72Å; M347-Y435 HydrophobicContact CG-CD1 3.83Å; M347-Y435 HydrophobicContact CG-CD2 4.31Å; M347-Y435 HydrophobicContact CG-CE1 3.68Å; M347-Y435 HydrophobicContact CG-CE2 4.17Å; M347-Y435 HydrophobicContact CG-CG 4.16Å; M347-Y435 HydrophobicContact SD-CD1 4.41Å; A431-Y435 WeakPolarHBondContact O-CB 3.33Å; A431-Y435 PolarHBondContact O-N 3.42Å; Y435-G437 PolarHBondContact O-N 3.32Å; Y435-G437 VanDerWaalsContact O-N 3.16Å
436E93.2Very high94.7Very high50 Ų5023.3 Ų23.323%0.23414%0.137CC..THydrogen-bonded Turntrans-73.1-0.2177-69.2-89.4-148.700113.2K5 Y9 R385 S432 I434 L438K5-E436 IonicContact NZ-OE1 2.8Å; K5-E436 IonicContact NZ-OE2 3.39Å; K5-E436 PolarHBondContact NZ-OE2 2.89Å; Y9-E436 HydrophobicContact CE2-CG 4.5Å; R385-E436 IonicContact CZ-OE1 3.75Å; R385-E436 IonicContact NH1-OE1 2.66Å; R385-E436 PolarHBondContact NH1-OE1 3.12Å; R385-E436 IonicContact NH2-OE1 3.83Å; R385-E436 PolarHBondContact NH2-OE1 2.79Å; S432-E436 WeakPolarHBondContact O-CB 3.3Å; S432-E436 VanDerWaalsContact O-CG 3.26Å; S432-E436 WeakPolarHBondContact O-CG 3.24Å; S432-E436 PolarHBondContact O-N 3.27Å; I434-E436 VanDerWaalsContact C-N 3.34Å; I434-E436 PolarHBondContact O-N 3.14Å; E436-L438 VanDerWaalsContact C-N 3.27Å; E436-L438 HydrophobicContact CB-CG 4.19Å; E436-L438 PolarHBondContact O-N 3.06Å
437G92.3Very high94.4Very high49 Ų4926.2 Ų26.251%0.50515%0.153SC..THydrogen-bonded Turntrans69.919.2179.600000114.4I434 Y435I434-G437 WeakPolarHBondContact O-CA 3.28Å; I434-G437 PolarHBondContact O-N 3.05Å; Y435-G437 PolarHBondContact O-N 3.32Å; Y435-G437 VanDerWaalsContact O-N 3.16Å
438L93.1Very high94.2Very high9 Ų927.2 Ų27.25%0.04716%0.163CC..SBendtrans-76.6-38.7175.8-59.5178.9000111K5 Y9 V55 K58 I433 E436K5-L438 HydrophobicContact CB-CD1 4.28Å; Y9-L438 HydrophobicContact CD2-CD1 3.84Å; Y9-L438 HydrophobicContact CE2-CD1 3.88Å; V55-L438 HydrophobicContact CG1-CB 4.09Å; V55-L438 HydrophobicContact CG2-CB 4.29Å; K58-L438 PolarHBondContact NZ-O 3.14Å; I433-L438 HydrophobicContact CB-CB 4.39Å; I433-L438 HydrophobicContact CG2-CD1 4.39Å; I433-L438 WeakPolarHBondContact O-CB 3.42Å; I433-L438 PolarHBondContact O-N 3.35Å; E436-L438 VanDerWaalsContact C-N 3.27Å; E436-L438 HydrophobicContact CB-CG 4.19Å; E436-L438 PolarHBondContact O-N 3.06Å
439L94.1Very high93.9Very high0 Ų027.2 Ų27.20%016%0.163CC..SBendtrans-116.7125174.1-17265.7000109L54 V55 L430 I433 I434 E443 I444L54-L439 HydrophobicContact CB-CD1 3.95Å; L54-L439 HydrophobicContact CD1-CD1 4.3Å; V55-L439 HydrophobicContact CG2-CB 3.76Å; V55-L439 HydrophobicContact CG2-CD1 4.04Å; V55-L439 HydrophobicContact CG2-CG 4.42Å; L430-L439 HydrophobicContact CD1-CD2 3.92Å; I433-L439 HydrophobicContact CD1-CB 4.23Å; I433-L439 HydrophobicContact CD1-CD2 3.81Å; I433-L439 HydrophobicContact CG1-CB 4.16Å; I433-L439 HydrophobicContact CG1-CD2 4.28Å; I433-L439 PolarHBondContact O-N 3.36Å; I433-L439 VanDerWaalsContact O-N 3.1Å; I434-L439 WeakPolarHBondContact CA-O 3.12Å; I434-L439 HydrophobicContact CG1-CB 4.22Å; I434-L439 HydrophobicContact CG1-CD2 4.2Å; I434-L439 HydrophobicContact CG1-CG 4.41Å; L439-E443 HydrophobicContact CD1-CB 3.96Å; L439-I444 HydrophobicContact CD2-CB 4.05Å; L439-I444 HydrophobicContact CD2-CD1 4.02Å; L439-I444 HydrophobicContact CD2-CG1 4.43Å
440L92.7Very high93.6Very high98 Ų9831.1 Ų31.151%0.51318%0.178SC..  trans-83.5143.6174.8-58.4175.6000109.3G442 E443L440-G442 PolarHBondContact O-N 3.41Å; L440-G442 VanDerWaalsContact O-N 3.1Å; L440-E443 WeakPolarHBondContact CA-OE2 3.38Å; L440-E443 HydrophobicContact CB-CG 4.13Å; L440-E443 WeakPolarHBondContact CB-OE2 3.47Å; L440-E443 PolarHBondContact N-OE2 2.71Å; L440-E443 WeakPolarHBondContact O-CB 3.41Å; L440-E443 PolarHBondContact O-N 3.22Å
441P91Very high93Very high28 Ų2835.3 Ų35.318%0.18220%0.199CC..Hα-helixtrans-51.7-37.1179.6-2934.7000114.1F336 I434 E443 D445F336-P441 HydrophobicContact CD1-CB 3.54Å; F336-P441 HydrophobicContact CD2-CB 4.09Å; F336-P441 HydrophobicContact CE1-CB 3.46Å; F336-P441 VanDerWaalsContact CE1-CB 3.46Å; F336-P441 WeakPolarHBondContact CE1-O 3.36Å; F336-P441 HydrophobicContact CE2-CB 4.01Å; F336-P441 HydrophobicContact CG-CB 3.88Å; F336-P441 HydrophobicContact CZ-CB 3.7Å; F336-P441 WeakPolarHBondContact CZ-O 3.35Å; I434-P441 HydrophobicContact CG2-CG 4.23Å; P441-E443 VanDerWaalsContact C-N 3.25Å; P441-E443 PolarHBondContact O-N 2.75Å; P441-D445 PolarHBondContact O-N 2.86Å
442G89.3Confident92.3Very high30 Ų3037.2 Ų37.231%0.30921%0.21SC..Hα-helixtrans-69.9-14.1179.500000115.7L440L440-G442 PolarHBondContact O-N 3.41Å; L440-G442 VanDerWaalsContact O-N 3.1Å
443E92.6Very high91.6Very high61 Ų6139.1 Ų39.129%0.28522%0.222SC..Hα-helixtrans-89.4-26.7-177.1-64166.313900112.8K58 L439 L440 P441K58-E443 WeakPolarHBondContact CE-OE1 3.41Å; K58-E443 VanDerWaalsContact CE-OE2 3.3Å; K58-E443 WeakPolarHBondContact CE-OE2 3.39Å; K58-E443 IonicContact NZ-OE1 3.51Å; K58-E443 PolarHBondContact NZ-OE1 3.31Å; K58-E443 IonicContact NZ-OE2 2.88Å; K58-E443 PolarHBondContact NZ-OE2 2.89Å; L439-E443 HydrophobicContact CD1-CB 3.96Å; L440-E443 WeakPolarHBondContact CA-OE2 3.38Å; L440-E443 HydrophobicContact CB-CG 4.13Å; L440-E443 WeakPolarHBondContact CB-OE2 3.47Å; L440-E443 PolarHBondContact N-OE2 2.71Å; L440-E443 WeakPolarHBondContact O-CB 3.41Å; L440-E443 PolarHBondContact O-N 3.22Å; P441-E443 VanDerWaalsContact C-N 3.25Å; P441-E443 PolarHBondContact O-N 2.75Å
444I94.5Very high90.9Very high0 Ų044.2 Ų44.20%025%0.246CC..Hα-helixtrans-91.5-7.4174.2-155.9174.2000112.8W50 L54 Y260 F336 L430 L439 P446W50-I444 HydrophobicContact CE3-CG1 4.08Å; W50-I444 HydrophobicContact CH2-CG1 4.4Å; W50-I444 HydrophobicContact CZ3-CG1 3.85Å; L54-I444 HydrophobicContact CD1-CB 4.49Å; L54-I444 HydrophobicContact CD1-CG1 4.38Å; Y260-I444 HydrophobicContact CD2-CG2 4.26Å; Y260-I444 HydrophobicContact CE1-CD1 4.23Å; Y260-I444 HydrophobicContact CE2-CG1 4.25Å; Y260-I444 HydrophobicContact CE2-CG2 3.88Å; Y260-I444 WeakPolarHBondContact OH-CD1 3.43Å; Y260-I444 WeakPolarHBondContact OH-CG1 3.36Å; F336-I444 HydrophobicContact CZ-CG2 4.05Å; L430-I444 HydrophobicContact CD1-CD1 3.36Å; L430-I444 HydrophobicContact CD2-CD1 3.96Å; L430-I444 HydrophobicContact CG-CD1 4.3Å; L439-I444 HydrophobicContact CD2-CB 4.05Å; L439-I444 HydrophobicContact CD2-CD1 4.02Å; L439-I444 HydrophobicContact CD2-CG1 4.43Å; I444-P446 VanDerWaalsContact O-CD 3.27Å; I444-P446 WeakPolarHBondContact O-CD 3.46Å
445D95.1Very high89.8Confident2 Ų249.2 Ų49.21%0.01128%0.279CS..  trans-116.967.2173.3177.838.5000110.6Q142 F336 P441 L447 G448 R449 R450Q142-D445 PolarHBondContact NE2-OD1 2.99Å; F336-D445 HydrophobicContact CE1-CB 4.33Å; P441-D445 PolarHBondContact O-N 2.86Å; D445-L447 PolarHBondContact O-N 3.46Å; D445-G448 PolarHBondContact O-N 3.06Å; D445-G448 PolarHBondContact OD1-N 2.86Å; D445-G448 VanDerWaalsContact OD2-C 3.23Å; D445-G448 WeakPolarHBondContact OD2-CA 3.4Å; D445-R449 VanDerWaalsContact CG-N 3.3Å; D445-R449 PolarHBondContact OD1-N 3.44Å; D445-R449 PolarHBondContact OD2-N 2.9Å; D445-R450 WeakPolarHBondContact OD2-CG 3.35Å; D445-R450 PolarHBondContact OD2-N 3.4Å; D445-R450 IonicContact OD2-NH1 2.53Å; D445-R450 PolarHBondContact OD2-NH1 3.46Å; D445-R450 VanDerWaalsContact OD2-NH1 3.11Å
446P92.5Very high88.8Confident53 Ų5351 Ų5134%0.34429%0.288SS..THydrogen-bonded Turntrans-62.7-26.9-178.626.3-37.2000113.5W50 Q142 A145 A146 I444 G448W50-P446 HydrophobicContact CH2-CG 4.22Å; Q142-P446 HydrophobicContact CB-CG 4.4Å; Q142-P446 VanDerWaalsContact O-CG 3.23Å; Q142-P446 WeakPolarHBondContact O-CG 3.17Å; Q142-P446 VanDerWaalsContact OE1-CG 3.26Å; A145-P446 HydrophobicContact CB-CB 4.44Å; A145-P446 HydrophobicContact CB-CG 4.31Å; A146-P446 HydrophobicContact CB-CB 4.43Å; A146-P446 HydrophobicContact CB-CG 4.13Å; I444-P446 VanDerWaalsContact O-CD 3.27Å; I444-P446 WeakPolarHBondContact O-CD 3.46Å; P446-G448 PolarHBondContact O-N 2.84Å
447L92.1Very high88Confident63 Ų6354.3 Ų54.333%0.3331%0.314SS..THydrogen-bonded Turntrans-78.7-1.7174.2-66.7174.3000113.2A141 Q142 A145 A206 D445 R449A141-L447 HydrophobicContact CB-CD1 4.14Å; Q142-L447 HydrophobicContact CG-CD1 4.28Å; Q142-L447 VanDerWaalsContact OE1-N 3.14Å; A145-L447 HydrophobicContact CB-CD2 3.59Å; A145-L447 HydrophobicContact CB-CG 3.88Å; A206-L447 HydrophobicContact CB-CD1 3.76Å; D445-L447 PolarHBondContact O-N 3.46Å; L447-R449 HydrophobicContact CB-CG 3.93Å; L447-R449 PolarHBondContact O-N 3.3Å
448G92.2Very high87.4Confident23 Ų2359.1 Ų59.124%0.23733%0.328CS..  trans61.229.6176.800000113.7D445 P446 R450 M451D445-G448 PolarHBondContact O-N 3.06Å; D445-G448 PolarHBondContact OD1-N 2.86Å; D445-G448 VanDerWaalsContact OD2-C 3.23Å; D445-G448 WeakPolarHBondContact OD2-CA 3.4Å; P446-G448 PolarHBondContact O-N 2.84Å; G448-R450 PolarHBondContact O-N 3.12Å; G448-M451 VanDerWaalsContact O-CB 3.3Å; G448-M451 WeakPolarHBondContact O-CB 3.4Å; G448-M451 WeakPolarHBondContact O-CG 3.47Å; G448-M451 PolarHBondContact O-N 2.99Å
449R92.1Very high87.2Confident18 Ų1860.1 Ų60.17%0.06833%0.333CS..G310 helixtrans-65.2-23.6-174.1-63.4-165.465.3-90.5-13.1113.2E205 P261 G262 F263 D445 L447 M451 V452E205-R449 IonicContact OE2-NH2 3.65Å; E205-R449 PolarHBondContact OE2-NH2 3.35Å; P261-R449 PolarHBondContact O-NH1 3.03Å; G262-R449 VanDerWaalsContact O-CZ 3.27Å; G262-R449 PolarHBondContact O-NH1 3Å; G262-R449 PolarHBondContact O-NH2 3.09Å; F263-R449 HydrophobicContact CB-CB 4.19Å; F263-R449 WeakPolarHBondContact CB-O 3.32Å; F263-R449 HydrophobicContact CD2-CB 4.07Å; F263-R449 PolarHBondContact O-NH2 3.25Å; D445-R449 VanDerWaalsContact CG-N 3.3Å; D445-R449 PolarHBondContact OD1-N 3.44Å; D445-R449 PolarHBondContact OD2-N 2.9Å; L447-R449 HydrophobicContact CB-CG 3.93Å; L447-R449 PolarHBondContact O-N 3.3Å; R449-M451 PolarHBondContact O-N 3.35Å; R449-M451 VanDerWaalsContact O-N 3.16Å; R449-V452 WeakPolarHBondContact O-CB 3.19Å; R449-V452 PolarHBondContact O-N 3.27Å
450R90.3Very high87.1Confident82 Ų8260.1 Ų60.131%0.30933%0.333SS..G310 helixtrans-58.7-23.617175.2-172.6178.4-74.6-1.1113.2F263 F336 D445 G448 V452F263-R450 HydrophobicContact CD1-CB 4.19Å; F263-R450 HydrophobicContact CD2-CB 4.37Å; F263-R450 HydrophobicContact CE1-CB 3.87Å; F263-R450 HydrophobicContact CE2-CB 4.04Å; F263-R450 HydrophobicContact CG-CB 4.44Å; F263-R450 HydrophobicContact CZ-CB 3.81Å; F336-R450 HydrophobicContact CD1-CB 4.06Å; F336-R450 HydrophobicContact CE1-CB 4.33Å; D445-R450 WeakPolarHBondContact OD2-CG 3.35Å; D445-R450 PolarHBondContact OD2-N 3.4Å; D445-R450 IonicContact OD2-NH1 2.53Å; D445-R450 PolarHBondContact OD2-NH1 3.46Å; D445-R450 VanDerWaalsContact OD2-NH1 3.11Å; G448-R450 PolarHBondContact O-N 3.12Å; R450-V452 PolarHBondContact O-N 2.99Å
451M85.4Confident87.3Confident87 Ų8755.5 Ų55.543%0.42931%0.309SS..G310 helixtrans-827.2-178.8-47.7-61.4-60.200112.7G448 R449 T453 E454G448-M451 VanDerWaalsContact O-CB 3.3Å; G448-M451 WeakPolarHBondContact O-CB 3.4Å; G448-M451 WeakPolarHBondContact O-CG 3.47Å; G448-M451 PolarHBondContact O-N 2.99Å; R449-M451 PolarHBondContact O-N 3.35Å; R449-M451 VanDerWaalsContact O-N 3.16Å; M451-T453 PolarHBondContact O-N 3.14Å; M451-E454 HydrophobicContact CB-CG 4.06Å; M451-E454 HydrophobicContact CE-CG 3.65Å; M451-E454 VanDerWaalsContact O-CB 3.29Å; M451-E454 WeakPolarHBondContact O-CB 3.41Å; M451-E454 WeakPolarHBondContact O-CG 3.27Å; M451-E454 PolarHBondContact O-N 3.43Å; M451-E454 VanDerWaalsContact O-N 3.1Å
452V83.1Confident87.6Confident41 Ų4154.1 Ų54.125%0.24830%0.3CS..G310 helixtrans-66.1-19.6-176.978.50000113.4T266 R449 R450T266-V452 HydrophobicContact CG2-CG1 4.3Å; T266-V452 HydrophobicContact CG2-CG2 3.63Å; R449-V452 WeakPolarHBondContact O-CB 3.19Å; R449-V452 PolarHBondContact O-N 3.27Å; R450-V452 PolarHBondContact O-N 2.99Å
453T81.4Confident88Confident43 Ų4352.7 Ų52.726%0.26429%0.285SS..G310 helixtrans-84.1-12.6176.854.60000112.7D268 I271 M451D268-T453 VanDerWaalsContact OD1-CB 3.23Å; D268-T453 WeakPolarHBondContact OD1-CB 3.29Å; D268-T453 WeakPolarHBondContact OD1-CG2 3.38Å; I271-T453 HydrophobicContact CD1-CG2 3.79Å; M451-T453 PolarHBondContact O-N 3.14Å
454E79.8Confident88.2Confident107 Ų10750 Ų5050%0.527%0.273SS..SBendtrans-61.4143.4177.9-68.2-65.8152.400111.6M451 K456M451-E454 HydrophobicContact CB-CG 4.06Å; M451-E454 HydrophobicContact CE-CG 3.65Å; M451-E454 VanDerWaalsContact O-CB 3.29Å; M451-E454 WeakPolarHBondContact O-CB 3.41Å; M451-E454 WeakPolarHBondContact O-CG 3.27Å; M451-E454 PolarHBondContact O-N 3.43Å; M451-E454 VanDerWaalsContact O-N 3.1Å; E454-K456 PolarHBondContact O-N 2.81Å; E454-K456 VanDerWaalsContact O-N 3.12Å
455P73.9Confident88.4Confident114 Ų11450.3 Ų50.374%0.7427%0.274SS*.PPolyproline II helixtrans-62120.8-179.125.2-32.9000110.4
456K73.5Confident88.4Confident114 Ų11450.2 Ų50.250%0.49627%0.274SS..PPolyproline II helixtrans-64.5143.1175.8-67-177.9-177.9178.70110.4E454E454-K456 PolarHBondContact O-N 2.81Å; E454-K456 VanDerWaalsContact O-N 3.12Å
457P77.4Confident88.6Confident118 Ų11847.7 Ų47.777%0.76626%0.258SS*.PPolyproline II helixtrans-61.8157175.427.4-35000111.1L459P457-L459 PolarHBondContact O-N 2.78Å
458D79.7Confident88.6Confident151 Ų15148.7 Ų48.781%0.80726%0.261SS*.  trans-67.499.8-179.1-114.4-20.3000111.7K575D458-K575 IonicContact OD1-NZ 3.54Å; D458-K575 PolarHBondContact OD1-NZ 3.34Å
459L87.5Confident88.6Confident29 Ų2949.7 Ų49.715%0.15226%0.26CS..  trans-75.4138.4177-167.568.8000112.7P457 K575 W578 R583 P584P457-L459 PolarHBondContact O-N 2.78Å; L459-K575 HydrophobicContact CB-CD 4.01Å; L459-K575 WeakPolarHBondContact O-CD 3.34Å; L459-K575 PolarHBondContact O-NZ 3.46Å; L459-K575 VanDerWaalsContact O-NZ 3.09Å; L459-W578 HydrophobicContact CD2-CB 3.48Å; L459-W578 VanDerWaalsContact CD2-CB 3.48Å; L459-W578 HydrophobicContact CD2-CG 3.78Å; L459-R583 HydrophobicContact CD1-CG 4.38Å; L459-P584 HydrophobicContact CD2-CG 3.97Å; L459-P584 HydrophobicContact CG-CG 4.36Å
460S93.3Very high88.6Confident1 Ų153.1 Ų53.11%0.00728%0.28CS..  trans-116.3134.8168.358.30000110.1R583 R622 I624S460-R583 PolarHBondContact OG-NE 3.33Å; S460-R622 CarbonylContact C-O 3.54Å; S460-R622 VanDerWaalsContact CA-O 3.29Å; S460-R622 WeakPolarHBondContact CA-O 3.4Å; S460-I624 VanDerWaalsContact OG-CD1 3.27Å; S460-I624 WeakPolarHBondContact OG-CD1 3.43Å
461V96.4Very high88.6Confident0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-84.4128.3177.3-176.30000109.8V463 I571 L574 P584 L586 T621 R622 V623 I624V461-V463 HydrophobicContact CG1-CG2 4.37Å; V461-I571 HydrophobicContact CB-CG2 4.46Å; V461-I571 HydrophobicContact CG1-CG1 4.4Å; V461-I571 HydrophobicContact CG2-CG2 4.21Å; V461-L574 HydrophobicContact CG1-CD1 4.2Å; V461-L574 HydrophobicContact CG2-CB 4.18Å; V461-P584 HydrophobicContact CB-CG 4.36Å; V461-P584 HydrophobicContact CG1-CG 4.31Å; V461-P584 HydrophobicContact CG2-CG 4Å; V461-L586 HydrophobicContact CG1-CB 4.16Å; V461-T621 HydrophobicContact CG2-CG2 3.86Å; V461-R622 PolarHBondContact N-O 3.43Å; V461-V623 CarbonylContact O-C 3.59Å; V461-V623 VanDerWaalsContact O-CA 3.28Å; V461-V623 WeakPolarHBondContact O-CA 3.38Å; V461-I624 PolarHBondContact O-N 3.25Å
462Q97.5Very high88.8Confident0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-87.2125.5177.1-65.5175.3-58.900108.9R583 P584 L585 L586 F631 T634 S635Q462-R583 HydrophobicContact CG-CB 3.98Å; Q462-R583 VanDerWaalsContact OE1-CB 3.28Å; Q462-P584 WeakPolarHBondContact CB-O 3.37Å; Q462-P584 PolarHBondContact N-O 3.1Å; Q462-L585 HydrophobicContact CB-CD1 4.49Å; Q462-L585 CarbonylContact O-C 3.57Å; Q462-L586 PolarHBondContact O-N 2.82Å; Q462-F631 HydrophobicContact CB-CD1 4.42Å; Q462-F631 HydrophobicContact CB-CD2 3.72Å; Q462-F631 HydrophobicContact CB-CE1 4.44Å; Q462-F631 HydrophobicContact CB-CE2 3.76Å; Q462-F631 HydrophobicContact CB-CG 4.06Å; Q462-F631 HydrophobicContact CB-CZ 4.11Å; Q462-F631 HydrophobicContact CG-CD1 4.12Å; Q462-F631 HydrophobicContact CG-CD2 4.31Å; Q462-F631 HydrophobicContact CG-CE1 4.18Å; Q462-F631 HydrophobicContact CG-CE2 4.37Å; Q462-F631 HydrophobicContact CG-CG 4.17Å; Q462-F631 HydrophobicContact CG-CZ 4.29Å; Q462-T634 PolarHBondContact NE2-OG1 2.77Å; Q462-S635 PolarHBondContact OE1-OG 2.87Å
463V97.8Very high89.3Confident0 Ų048.9 Ų48.90%026%0.26CS..EExtended strand (participates in β ladder)trans-119.3130.4-177.5171.60000109.4V461 L465 F567 I571 L586 I613 V623 I624 L625 G626V461-V463 HydrophobicContact CG1-CG2 4.37Å; V463-L465 HydrophobicContact CG1-CD2 4.18Å; V463-F567 HydrophobicContact CG1-CE1 4.42Å; V463-F567 HydrophobicContact CG1-CZ 3.8Å; V463-F567 HydrophobicContact CG2-CE1 4.5Å; V463-F567 HydrophobicContact CG2-CZ 4.02Å; V463-I571 HydrophobicContact CG2-CD1 4.31Å; V463-L586 WeakPolarHBondContact CA-O 3.42Å; V463-L586 HydrophobicContact CG2-CB 4.4Å; V463-I613 HydrophobicContact CB-CG2 4.12Å; V463-I613 HydrophobicContact CG1-CD1 4.25Å; V463-I613 HydrophobicContact CG1-CG2 3.91Å; V463-V623 HydrophobicContact CB-CG1 3.87Å; V463-V623 HydrophobicContact CG2-CG1 3.44Å; V463-V623 VanDerWaalsContact CG2-CG1 3.44Å; V463-I624 PolarHBondContact N-O 3.4Å; V463-L625 WeakPolarHBondContact O-CA 3.08Å; V463-G626 PolarHBondContact O-N 3.15Å
464V97.6Very high89.7Confident3 Ų352.3 Ų52.32%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-118.2125.6173.8-1770000108.8V466 L585 L586 L587 F588 L628 F631V464-V466 HydrophobicContact CG1-CG2 4.06Å; V464-L585 HydrophobicContact CG2-CD1 3.74Å; V464-L586 PolarHBondContact N-O 3.25Å; V464-L586 VanDerWaalsContact N-O 3.08Å; V464-L587 WeakPolarHBondContact O-CA 3.18Å; V464-F588 PolarHBondContact O-N 2.77Å; V464-L628 HydrophobicContact CB-CD2 4.42Å; V464-L628 HydrophobicContact CG1-CG 4.16Å; V464-L628 HydrophobicContact CG2-CD2 3.84Å; V464-L628 HydrophobicContact CG2-CG 4.13Å; V464-F631 HydrophobicContact CG2-CD2 3.69Å; V464-F631 HydrophobicContact CG2-CE2 3.86Å
465L97.1Very high90Very high7 Ų748 Ų484%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-92.8128.5171.4-55.9-179.3000108.4V463 V481 V483 F588 I590 I610 I613 L625V463-L465 HydrophobicContact CG1-CD2 4.18Å; L465-V481 HydrophobicContact CD1-CG1 3.8Å; L465-V483 HydrophobicContact CB-CG1 3.74Å; L465-F588 WeakPolarHBondContact CA-O 3.39Å; L465-F588 HydrophobicContact CD2-CB 3.74Å; L465-F588 HydrophobicContact CD2-CG 4.24Å; L465-I590 HydrophobicContact CB-CD1 4.2Å; L465-I590 HydrophobicContact CD1-CD1 4.41Å; L465-I610 HydrophobicContact CD1-CG1 4.08Å; L465-I610 HydrophobicContact CD1-CG2 3.97Å; L465-I613 HydrophobicContact CD2-CD1 4.16Å; L465-L625 HydrophobicContact CD1-CD1 4Å; L465-L625 HydrophobicContact CG-CD1 3.76Å
466V96.6Very high90.8Very high0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-118.7123.5-178.5-173.80000108.8V464 F486 I489 I497 L587 F588 P589 I590V464-V466 HydrophobicContact CG1-CG2 4.06Å; V466-F486 HydrophobicContact CB-CZ 4.37Å; V466-F486 HydrophobicContact CG1-CD1 3.9Å; V466-F486 HydrophobicContact CG1-CD2 3.76Å; V466-F486 HydrophobicContact CG1-CE1 3.86Å; V466-F486 HydrophobicContact CG1-CE2 3.71Å; V466-F486 HydrophobicContact CG1-CG 3.87Å; V466-F486 HydrophobicContact CG1-CZ 3.77Å; V466-I489 HydrophobicContact CB-CD1 4.47Å; V466-I489 HydrophobicContact CG1-CD1 3.84Å; V466-I489 HydrophobicContact CG2-CD1 3.88Å; V466-I497 HydrophobicContact CG1-CD1 4.49Å; V466-I497 HydrophobicContact CG2-CD1 4.19Å; V466-L587 HydrophobicContact CG2-CD2 4.24Å; V466-F588 PolarHBondContact N-O 3.29Å; V466-P589 CarbonylContact O-C 3.45Å; V466-P589 WeakPolarHBondContact O-CA 3.38Å; V466-I590 PolarHBondContact O-N 2.89Å
467A95.5Very high91.5Very high0 Ų042.4 Ų42.40%022%0.219CC..EExtended strand (participates in β ladder)trans-77.7138.9173.900000110.4I472 K473 V483 Q484 T485A467-I472 HydrophobicContact CB-CB 4.37Å; A467-I472 HydrophobicContact CB-CG2 4.21Å; A467-K473 HydrophobicContact CB-CB 3.94Å; A467-V483 HydrophobicContact CB-CG2 3.84Å; A467-Q484 PolarHBondContact N-O 3.17Å; A467-T485 HydrophobicContact CB-CG2 4.4Å; A467-T485 WeakPolarHBondContact O-CA 3.04Å
468E92.2Very high91.9Very high84 Ų8444.1 Ų44.139%0.39322%0.217SC..SBendtrans-61-45.2173.6178.5174.2-163.600112.1I590 Y591 R592E468-I590 WeakPolarHBondContact CB-O 3.47Å; E468-I590 PolarHBondContact N-O 3.37Å; E468-I590 VanDerWaalsContact N-O 3.11Å; E468-Y591 HydrophobicContact CB-CD1 4.07Å; E468-Y591 HydrophobicContact CG-CD1 4.07Å; E468-Y591 WeakPolarHBondContact OE2-CA 3.4Å; E468-Y591 WeakPolarHBondContact OE2-CB 3.46Å; E468-R592 PolarHBondContact OE2-N 3.43Å
469D91.9Very high92Very high44 Ų4441.1 Ų41.124%0.23520%0.195CC..SBendtrans-146.6175.5-177.163.939000111.8E471 I472 K473 R592D469-E471 PolarHBondContact O-N 3.28Å; D469-E471 WeakPolarHBondContact OD1-CA 3.22Å; D469-E471 VanDerWaalsContact OD1-CB 3.26Å; D469-E471 WeakPolarHBondContact OD1-CB 3.4Å; D469-E471 PolarHBondContact OD1-N 3.49Å; D469-I472 PolarHBondContact O-N 3.41Å; D469-I472 WeakPolarHBondContact OD1-CG1 3.38Å; D469-I472 PolarHBondContact OD1-N 2.88Å; D469-K473 PolarHBondContact O-N 3.37Å; D469-K473 VanDerWaalsContact O-N 3.07Å; D469-R592 IonicContact OD1-NH1 3.61Å; D469-R592 IonicContact OD2-CZ 2.76Å; D469-R592 IonicContact OD2-NH1 3.47Å; D469-R592 PolarHBondContact OD2-NH1 3.04Å
470N92.4Very high91.8Very high91 Ų9148.7 Ų48.749%0.48723%0.23SC..Hα-helixtrans-64.1-26.2-179.4-75.8-40.1000113.7Q474N470-Q474 WeakPolarHBondContact O-CG 3.4Å; N470-Q474 PolarHBondContact O-N 3.2Å
471E90Very high91.4Very high80 Ų8049.3 Ų49.337%0.37423%0.234SC..Hα-helixtrans-70.1-47.9177.4-172.277.7-179.900110D469 K473 Q474 Q475D469-E471 PolarHBondContact O-N 3.28Å; D469-E471 WeakPolarHBondContact OD1-CA 3.22Å; D469-E471 VanDerWaalsContact OD1-CB 3.26Å; D469-E471 WeakPolarHBondContact OD1-CB 3.4Å; D469-E471 PolarHBondContact OD1-N 3.49Å; E471-K473 VanDerWaalsContact C-N 3.25Å; E471-K473 PolarHBondContact O-N 3.06Å; E471-Q474 PolarHBondContact O-N 2.56Å; E471-Q474 VanDerWaalsContact O-N 3.17Å; E471-Q475 WeakPolarHBondContact O-CG 3.32Å; E471-Q475 PolarHBondContact O-N 2.9Å
472I90.3Very high91.1Very high1 Ų157.9 Ų57.91%0.00527%0.274CS..Hα-helixtrans-62.8-36.9177.3-60.9-48.4000110.8A467 D469 Q475 L476 I590 R592 F595A467-I472 HydrophobicContact CB-CB 4.37Å; A467-I472 HydrophobicContact CB-CG2 4.21Å; D469-I472 PolarHBondContact O-N 3.41Å; D469-I472 WeakPolarHBondContact OD1-CG1 3.38Å; D469-I472 PolarHBondContact OD1-N 2.88Å; I472-Q475 PolarHBondContact O-N 2.86Å; I472-L476 HydrophobicContact CG2-CD1 3.83Å; I472-L476 HydrophobicContact CG2-CG 4.44Å; I472-L476 WeakPolarHBondContact O-CB 3.48Å; I472-L476 WeakPolarHBondContact O-CD1 3.47Å; I472-L476 VanDerWaalsContact O-CG 3.3Å; I472-L476 WeakPolarHBondContact O-CG 3.44Å; I472-L476 PolarHBondContact O-N 3.4Å; I472-I590 HydrophobicContact CG2-CB 4.29Å; I472-I590 HydrophobicContact CG2-CG2 3.76Å; I472-R592 HydrophobicContact CD1-CB 4.08Å; I472-R592 HydrophobicContact CD1-CG 4.18Å; I472-R592 HydrophobicContact CG1-CB 4.27Å; I472-F595 HydrophobicContact CD1-CD2 3.8Å; I472-F595 HydrophobicContact CD1-CE1 4.46Å; I472-F595 HydrophobicContact CD1-CE2 3.73Å; I472-F595 HydrophobicContact CD1-CG 4.28Å; I472-F595 HydrophobicContact CD1-CZ 4.08Å; I472-F595 HydrophobicContact CG1-CE2 4.48Å; I472-F595 HydrophobicContact CG2-CE2 3.99Å; I472-F595 HydrophobicContact CG2-CZ 3.94Å
473K93.1Very high90.9Very high40 Ų4058.2 Ų58.217%0.17428%0.276CS..Hα-helixtrans-58.9-50.3172.3176.9174.6176.4173.70111.6A467 D469 E471 Q475 L476 M477 V483 T485 E488A467-K473 HydrophobicContact CB-CB 3.94Å; D469-K473 PolarHBondContact O-N 3.37Å; D469-K473 VanDerWaalsContact O-N 3.07Å; E471-K473 VanDerWaalsContact C-N 3.25Å; E471-K473 PolarHBondContact O-N 3.06Å; K473-Q475 VanDerWaalsContact C-N 3.34Å; K473-Q475 PolarHBondContact O-N 3.43Å; K473-L476 PolarHBondContact O-N 3.33Å; K473-M477 HydrophobicContact CG-CG 4.5Å; K473-M477 HydrophobicContact CG-SD 4.23Å; K473-M477 WeakPolarHBondContact O-CG 3.48Å; K473-M477 PolarHBondContact O-N 2.61Å; K473-V483 HydrophobicContact CB-CG2 4.23Å; K473-V483 WeakPolarHBondContact CD-O 3.44Å; K473-V483 VanDerWaalsContact CE-O 3.23Å; K473-V483 WeakPolarHBondContact CE-O 3.32Å; K473-V483 HydrophobicContact CG-CG2 4.04Å; K473-T485 HydrophobicContact CB-CG2 4.41Å; K473-T485 HydrophobicContact CD-CG2 4.28Å; K473-E488 IonicContact NZ-OE1 3.86Å; K473-E488 PolarHBondContact NZ-OE1 3.49Å; K473-E488 IonicContact NZ-OE2 3.6Å; K473-E488 PolarHBondContact NZ-OE2 3.09Å
474Q90.5Very high90.8Very high114 Ų11459.3 Ų59.353%0.53328%0.281SS..Hα-helixtrans-59.7-44.8178.4-73.8174.412.900111.7N470 E471 L476 M477 E478N470-Q474 WeakPolarHBondContact O-CG 3.4Å; N470-Q474 PolarHBondContact O-N 3.2Å; E471-Q474 PolarHBondContact O-N 2.56Å; E471-Q474 VanDerWaalsContact O-N 3.17Å; Q474-L476 VanDerWaalsContact C-N 3.31Å; Q474-L476 PolarHBondContact O-N 3.43Å; Q474-M477 WeakPolarHBondContact O-CB 3.39Å; Q474-M477 PolarHBondContact O-N 2.73Å; Q474-M477 VanDerWaalsContact O-N 3.16Å; Q474-E478 PolarHBondContact O-N 3.36Å; Q474-E478 VanDerWaalsContact O-N 3.08Å
475Q87Confident90.7Very high16 Ų1659.5 Ų59.58%0.07528%0.282CS..Hα-helixtrans-60.2-39.5175.7-70.1173.41.100112.2E471 I472 K473 E478 Y479 F595E471-Q475 WeakPolarHBondContact O-CG 3.32Å; E471-Q475 PolarHBondContact O-N 2.9Å; I472-Q475 PolarHBondContact O-N 2.86Å; K473-Q475 VanDerWaalsContact C-N 3.34Å; K473-Q475 PolarHBondContact O-N 3.43Å; Q475-E478 PolarHBondContact O-N 2.86Å; Q475-Y479 VanDerWaalsContact O-CD2 3.28Å; Q475-Y479 WeakPolarHBondContact O-CD2 3.43Å; Q475-F595 HydrophobicContact CB-CE1 4.36Å
476L90.1Very high90.6Very high0 Ų062.1 Ų62.10%029%0.293CS..Hα-helixtrans-70.2-35.8176.1-74164.5000112.5I472 K473 Q474 E478 Y479 Q480 V481 V483 I590 I602 I610I472-L476 HydrophobicContact CG2-CD1 3.83Å; I472-L476 HydrophobicContact CG2-CG 4.44Å; I472-L476 WeakPolarHBondContact O-CB 3.48Å; I472-L476 WeakPolarHBondContact O-CD1 3.47Å; I472-L476 VanDerWaalsContact O-CG 3.3Å; I472-L476 WeakPolarHBondContact O-CG 3.44Å; I472-L476 PolarHBondContact O-N 3.4Å; K473-L476 PolarHBondContact O-N 3.33Å; Q474-L476 VanDerWaalsContact C-N 3.31Å; Q474-L476 PolarHBondContact O-N 3.43Å; L476-E478 VanDerWaalsContact C-N 3.3Å; L476-E478 PolarHBondContact O-N 3.04Å; L476-Y479 CarbonylContact O-C 3.59Å; L476-Y479 PolarHBondContact O-N 2.81Å; L476-Q480 PolarHBondContact O-N 2.52Å; L476-V481 CarbonylContact C-O 3.56Å; L476-V481 HydrophobicContact CB-CB 4.26Å; L476-V481 WeakPolarHBondContact O-CB 3.33Å; L476-V481 PolarHBondContact O-N 3.09Å; L476-V483 HydrophobicContact CB-CG2 4.04Å; L476-V483 HydrophobicContact CD1-CG1 4.14Å; L476-V483 HydrophobicContact CD1-CG2 3.73Å; L476-I590 HydrophobicContact CD1-CB 4.27Å; L476-I590 HydrophobicContact CD1-CD1 3.58Å; L476-I590 HydrophobicContact CD1-CG2 4.16Å; L476-I590 HydrophobicContact CD2-CD1 3.92Å; L476-I590 HydrophobicContact CG-CD1 4.44Å; L476-I602 HydrophobicContact CD2-CD1 3.78Å; L476-I610 HydrophobicContact CD2-CD1 3.79Å
477M88.8Confident90.4Very high111 Ų11168.7 Ų68.755%0.54732%0.324SS..Hα-helixtrans-62.8-34.9175-73.8-179.668.300112.4K473 Q474 Y479 Q480K473-M477 HydrophobicContact CG-CG 4.5Å; K473-M477 HydrophobicContact CG-SD 4.23Å; K473-M477 WeakPolarHBondContact O-CG 3.48Å; K473-M477 PolarHBondContact O-N 2.61Å; Q474-M477 WeakPolarHBondContact O-CB 3.39Å; Q474-M477 PolarHBondContact O-N 2.73Å; Q474-M477 VanDerWaalsContact O-N 3.16Å; M477-Y479 PolarHBondContact O-N 3.28Å; M477-Q480 WeakPolarHBondContact O-CA 3.33Å; M477-Q480 PolarHBondContact O-N 3.41Å
478E84.9Confident90.4Very high154 Ų15470.5 Ų70.572%0.7233%0.332SS*.Hα-helixtrans-59.7-28.8173.3-69.5178-176.900112.6Q474 Q475 L476 Q480Q474-E478 PolarHBondContact O-N 3.36Å; Q474-E478 VanDerWaalsContact O-N 3.08Å; Q475-E478 PolarHBondContact O-N 2.86Å; L476-E478 VanDerWaalsContact C-N 3.3Å; L476-E478 PolarHBondContact O-N 3.04Å; E478-Q480 VanDerWaalsContact C-N 3.32Å
479Y81Confident90.6Very high88 Ų8866.5 Ų66.535%0.34531%0.314SS..THydrogen-bonded Turntrans-94.415.9175-69.8-102.8000113Q475 L476 M477 V481 I602Q475-Y479 VanDerWaalsContact O-CD2 3.28Å; Q475-Y479 WeakPolarHBondContact O-CD2 3.43Å; L476-Y479 CarbonylContact O-C 3.59Å; L476-Y479 PolarHBondContact O-N 2.81Å; M477-Y479 PolarHBondContact O-N 3.28Å; Y479-V481 VanDerWaalsContact C-N 3.29Å; Y479-V481 PolarHBondContact O-N 3.32Å; Y479-I602 HydrophobicContact CD1-CD1 4.18Å; Y479-I602 HydrophobicContact CD2-CD1 3.18Å; Y479-I602 HydrophobicContact CD2-CG1 3.87Å; Y479-I602 HydrophobicContact CE1-CB 4.49Å; Y479-I602 HydrophobicContact CE1-CD1 4.46Å; Y479-I602 HydrophobicContact CE2-CB 4.11Å; Y479-I602 HydrophobicContact CE2-CD1 3.52Å; Y479-I602 HydrophobicContact CE2-CG1 3.63Å; Y479-I602 HydrophobicContact CG-CD1 3.52Å; Y479-I602 HydrophobicContact CG-CG1 4.48Å
480Q84.2Confident90.6Very high188 Ų18869.4 Ų69.488%0.87932%0.322SS*.THydrogen-bonded Turntrans61.733.1179.4-55.2175.8-14.400113.5L476 M477 E478L476-Q480 PolarHBondContact O-N 2.52Å; M477-Q480 WeakPolarHBondContact O-CA 3.33Å; M477-Q480 PolarHBondContact O-N 3.41Å; E478-Q480 VanDerWaalsContact C-N 3.32Å
481V85.5Confident90.7Very high15 Ų1570.2 Ų70.29%0.09133%0.326CS..  trans-108.2107.5176.4-1690000108.3L465 L476 Y479 V483 I610L465-V481 HydrophobicContact CD1-CG1 3.8Å; L476-V481 CarbonylContact C-O 3.56Å; L476-V481 HydrophobicContact CB-CB 4.26Å; L476-V481 WeakPolarHBondContact O-CB 3.33Å; L476-V481 PolarHBondContact O-N 3.09Å; Y479-V481 VanDerWaalsContact C-N 3.29Å; Y479-V481 PolarHBondContact O-N 3.32Å; V481-V483 HydrophobicContact CG1-CG1 3.82Å; V481-V483 PolarHBondContact O-N 3.07Å; V481-I610 HydrophobicContact CB-CG2 4.31Å; V481-I610 HydrophobicContact CG1-CG2 3.77Å; V481-I610 HydrophobicContact CG2-CG2 3.5Å
482E89.3Confident90.8Very high180 Ų18071.3 Ų71.384%0.84133%0.332SS*.  trans-76.6121.3174.4-172.3171.9-170.800109.8
483V93.4Very high90.9Very high7 Ų772.4 Ų72.44%0.04234%0.341CS..  trans-141154.5-179.4-600000110L465 A467 K473 L476 V481L465-V483 HydrophobicContact CB-CG1 3.74Å; A467-V483 HydrophobicContact CB-CG2 3.84Å; K473-V483 HydrophobicContact CB-CG2 4.23Å; K473-V483 WeakPolarHBondContact CD-O 3.44Å; K473-V483 VanDerWaalsContact CE-O 3.23Å; K473-V483 WeakPolarHBondContact CE-O 3.32Å; K473-V483 HydrophobicContact CG-CG2 4.04Å; L476-V483 HydrophobicContact CB-CG2 4.04Å; L476-V483 HydrophobicContact CD1-CG1 4.14Å; L476-V483 HydrophobicContact CD1-CG2 3.73Å; V481-V483 HydrophobicContact CG1-CG1 3.82Å; V481-V483 PolarHBondContact O-N 3.07Å
484Q95.8Very high90.9Very high22 Ų2272.3 Ų72.310%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-108154.1173.6-66165.9-56.400110.1A467 E488 I489 E492A467-Q484 PolarHBondContact N-O 3.17Å; Q484-E488 VanDerWaalsContact CA-OE2 3.32Å; Q484-E488 WeakPolarHBondContact CA-OE2 3.23Å; Q484-E488 HydrophobicContact CB-CB 4.21Å; Q484-I489 HydrophobicContact CB-CD1 4.18Å; Q484-I489 HydrophobicContact CB-CG1 3.64Å; Q484-E492 PolarHBondContact NE2-OE2 3.5Å
485T96.1Very high91.1Very high8 Ų866.9 Ų66.95%0.04933%0.326CS..EExtended strand (participates in β ladder)trans-80.6164.3166.969.30000111A467 K473 E487 E488 I489A467-T485 HydrophobicContact CB-CG2 4.4Å; A467-T485 WeakPolarHBondContact O-CA 3.04Å; K473-T485 HydrophobicContact CB-CG2 4.41Å; K473-T485 HydrophobicContact CD-CG2 4.28Å; T485-E487 PolarHBondContact O-N 2.92Å; T485-E488 PolarHBondContact N-OE2 3.18Å; T485-E488 PolarHBondContact O-N 3.31Å; T485-E488 VanDerWaalsContact OG1-CG 3.3Å; T485-E488 WeakPolarHBondContact OG1-CG 3.2Å; T485-E488 PolarHBondContact OG1-N 3.42Å; T485-I489 WeakPolarHBondContact O-CG1 2.93Å; T485-I489 PolarHBondContact O-N 2.97Å
486F93.8Very high91.5Very high61 Ų6167 Ų6727%0.26833%0.327SS..Hα-helixtrans-55.9-37.8174.4-69.3-87.7000112.9V466 Y490 I497 L545 P589V466-F486 HydrophobicContact CB-CZ 4.37Å; V466-F486 HydrophobicContact CG1-CD1 3.9Å; V466-F486 HydrophobicContact CG1-CD2 3.76Å; V466-F486 HydrophobicContact CG1-CE1 3.86Å; V466-F486 HydrophobicContact CG1-CE2 3.71Å; V466-F486 HydrophobicContact CG1-CG 3.87Å; V466-F486 HydrophobicContact CG1-CZ 3.77Å; F486-Y490 PolarHBondContact O-N 3.26Å; F486-I497 HydrophobicContact CD1-CB 4.08Å; F486-I497 HydrophobicContact CD1-CD1 3.93Å; F486-I497 HydrophobicContact CD1-CG2 4.33Å; F486-I497 HydrophobicContact CE1-CB 4.21Å; F486-I497 HydrophobicContact CE1-CD1 4.17Å; F486-I497 HydrophobicContact CE1-CG2 3.95Å; F486-L545 HydrophobicContact CE1-CD1 4.33Å; F486-L545 HydrophobicContact CZ-CD1 4.42Å; F486-P589 HydrophobicContact CZ-CB 3.94Å
487E92.3Very high91.7Very high138 Ų13868.3 Ų68.365%0.64533%0.333SS*.Hα-helixtrans-72.1-41.7179.3-173.5178-179.900111.8T485 Y490 N491T485-E487 PolarHBondContact O-N 2.92Å; E487-Y490 PolarHBondContact O-N 2.77Å; E487-N491 WeakPolarHBondContact O-CB 3.38Å; E487-N491 VanDerWaalsContact O-CG 3.24Å; E487-N491 PolarHBondContact O-N 2.78Å; E487-N491 PolarHBondContact O-ND2 3.43Å
488E95.8Very high91.9Very high38 Ų3863.5 Ų63.518%0.17831%0.309CS..Hα-helixtrans-62.3-43.3176-73.4172.4164.800112K473 Q484 T485 Y490 N491 E492K473-E488 IonicContact NZ-OE1 3.86Å; K473-E488 PolarHBondContact NZ-OE1 3.49Å; K473-E488 IonicContact NZ-OE2 3.6Å; K473-E488 PolarHBondContact NZ-OE2 3.09Å; Q484-E488 VanDerWaalsContact CA-OE2 3.32Å; Q484-E488 WeakPolarHBondContact CA-OE2 3.23Å; Q484-E488 HydrophobicContact CB-CB 4.21Å; T485-E488 PolarHBondContact N-OE2 3.18Å; T485-E488 PolarHBondContact O-N 3.31Å; T485-E488 VanDerWaalsContact OG1-CG 3.3Å; T485-E488 WeakPolarHBondContact OG1-CG 3.2Å; T485-E488 PolarHBondContact OG1-N 3.42Å; E488-Y490 VanDerWaalsContact C-N 3.28Å; E488-Y490 PolarHBondContact O-N 2.64Å; E488-N491 PolarHBondContact O-N 2.96Å; E488-E492 WeakPolarHBondContact O-CB 3.45Å; E488-E492 WeakPolarHBondContact O-CG 3.32Å; E488-E492 PolarHBondContact O-N 2.92Å
489I95.9Very high92.3Very high0 Ų059.1 Ų59.10%029%0.294CS..Hα-helixtrans-56.7-45.5176-71.5169.1000110.7V466 Q484 T485 A493 G494 I495 I497 L628V466-I489 HydrophobicContact CB-CD1 4.47Å; V466-I489 HydrophobicContact CG1-CD1 3.84Å; V466-I489 HydrophobicContact CG2-CD1 3.88Å; Q484-I489 HydrophobicContact CB-CD1 4.18Å; Q484-I489 HydrophobicContact CB-CG1 3.64Å; T485-I489 WeakPolarHBondContact O-CG1 2.93Å; T485-I489 PolarHBondContact O-N 2.97Å; I489-A493 WeakPolarHBondContact O-CB 3.46Å; I489-A493 PolarHBondContact O-N 3.36Å; I489-G494 PolarHBondContact O-N 2.8Å; I489-I495 HydrophobicContact CG2-CB 4.22Å; I489-I497 HydrophobicContact CD1-CD1 3.74Å; I489-I497 HydrophobicContact CG2-CD1 4.21Å; I489-L628 HydrophobicContact CD1-CD1 4.14Å; I489-L628 HydrophobicContact CG2-CD1 3.59Å
490Y93.4Very high92.7Very high106 Ų10655 Ų5542%0.41628%0.278SS..Hα-helixtrans-63.5-46.2177.3176.7-103.7000111.5F486 E487 E488 E492 G494 N496F486-Y490 PolarHBondContact O-N 3.26Å; E487-Y490 PolarHBondContact O-N 2.77Å; E488-Y490 VanDerWaalsContact C-N 3.28Å; E488-Y490 PolarHBondContact O-N 2.64Å; Y490-E492 PolarHBondContact O-N 3.03Å; Y490-G494 WeakPolarHBondContact O-CA 3.44Å; Y490-G494 PolarHBondContact O-N 3.26Å; Y490-N496 WeakPolarHBondContact CD2-OD1 3.01Å
491N94.1Very high92.9Very high107 Ų10752 Ų5257%0.57226%0.262SS*.Hα-helixtrans-67.9-34.8-177.6-68.6-25.7000113.3E487 E488E487-N491 WeakPolarHBondContact O-CB 3.38Å; E487-N491 VanDerWaalsContact O-CG 3.24Å; E487-N491 PolarHBondContact O-N 2.78Å; E487-N491 PolarHBondContact O-ND2 3.43Å; E488-N491 PolarHBondContact O-N 2.96Å
492E92.4Very high93.2Very high104 Ų10452 Ų5249%0.48626%0.262SS..Hα-helixtrans-94.9-32.7-173.5-68.2178.6-165.700114.5Q484 E488 Y490 K629Q484-E492 PolarHBondContact NE2-OE2 3.5Å; E488-E492 WeakPolarHBondContact O-CB 3.45Å; E488-E492 WeakPolarHBondContact O-CG 3.32Å; E488-E492 PolarHBondContact O-N 2.92Å; Y490-E492 PolarHBondContact O-N 3.03Å; E492-K629 PolarHBondContact O-NZ 3.02Å
493A91.3Very high93.3Very high24 Ų2443.5 Ų43.520%0.19822%0.222CC..Hα-helixtrans-115.3-14.4-176.600000113.4I489 I495 K629I489-A493 WeakPolarHBondContact O-CB 3.46Å; I489-A493 PolarHBondContact O-N 3.36Å; A493-I495 HydrophobicContact CB-CB 4.47Å; A493-I495 HydrophobicContact CB-CD1 3.81Å; A493-I495 HydrophobicContact CB-CG1 3.95Å; A493-I495 PolarHBondContact O-N 3.02Å; A493-K629 HydrophobicContact CB-CB 4.1Å
494G93.5Very high93.1Very high37 Ų3743.2 Ų43.238%0.38122%0.22SC..  trans70.218-175.400000113.7I489 Y490I489-G494 PolarHBondContact O-N 2.8Å; Y490-G494 WeakPolarHBondContact O-CA 3.44Å; Y490-G494 PolarHBondContact O-N 3.26Å
495I95.5Very high92.8Very high1 Ų145 Ų451%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-100.4123-174.5-59.5169.7000109.9I489 A493 F534 T541 A543 L628I489-I495 HydrophobicContact CG2-CB 4.22Å; A493-I495 HydrophobicContact CB-CB 4.47Å; A493-I495 HydrophobicContact CB-CD1 3.81Å; A493-I495 HydrophobicContact CB-CG1 3.95Å; A493-I495 PolarHBondContact O-N 3.02Å; I495-F534 HydrophobicContact CD1-CE1 3.88Å; I495-F534 HydrophobicContact CD1-CZ 4.23Å; I495-F534 HydrophobicContact CG2-CD1 4.47Å; I495-F534 HydrophobicContact CG2-CE1 4.07Å; I495-T541 WeakPolarHBondContact CA-O 3.14Å; I495-T541 HydrophobicContact CD1-CG2 4.47Å; I495-T541 HydrophobicContact CG1-CG2 3.95Å; I495-T541 HydrophobicContact CG2-CG2 4.35Å; I495-A543 HydrophobicContact CG2-CB 4.09Å; I495-L628 HydrophobicContact CD1-CB 3.83Å; I495-L628 HydrophobicContact CG2-CD1 4.18Å
496N94.1Very high92.5Very high18 Ų1844.7 Ų44.710%0.09623%0.227CC..EExtended strand (participates in β ladder)trans-89.6132.8173.6-68.1-82.6000110.9Y490 Y498 T541 L542 A543Y490-N496 WeakPolarHBondContact CD2-OD1 3.01Å; N496-Y498 HydrophobicContact CB-CD2 4.21Å; N496-Y498 HydrophobicContact CB-CE2 3.47Å; N496-Y498 VanDerWaalsContact CB-CE2 3.47Å; N496-T541 PolarHBondContact N-O 3.33Å; N496-L542 HydrophobicContact CB-CD2 3.95Å; N496-L542 CarbonylContact O-C 3.6Å; N496-L542 WeakPolarHBondContact O-CA 3.28Å; N496-A543 PolarHBondContact O-N 3.16Å
497I95.1Very high92.3Very high27 Ų2742.4 Ų42.414%0.13822%0.216CC..EExtended strand (participates in β ladder)trans-104.5127.6175.3-58.3168.9000109.9V466 F486 I489 A543 L545 L587 L628V466-I497 HydrophobicContact CG1-CD1 4.49Å; V466-I497 HydrophobicContact CG2-CD1 4.19Å; F486-I497 HydrophobicContact CD1-CB 4.08Å; F486-I497 HydrophobicContact CD1-CD1 3.93Å; F486-I497 HydrophobicContact CD1-CG2 4.33Å; F486-I497 HydrophobicContact CE1-CB 4.21Å; F486-I497 HydrophobicContact CE1-CD1 4.17Å; F486-I497 HydrophobicContact CE1-CG2 3.95Å; I489-I497 HydrophobicContact CD1-CD1 3.74Å; I489-I497 HydrophobicContact CG2-CD1 4.21Å; I497-A543 CarbonylContact C-O 3.53Å; I497-A543 VanDerWaalsContact CA-O 3.32Å; I497-A543 WeakPolarHBondContact CA-O 3.41Å; I497-A543 HydrophobicContact CG1-CB 4.37Å; I497-L545 HydrophobicContact CG2-CD1 4.37Å; I497-L545 HydrophobicContact CG2-CD2 3.82Å; I497-L545 HydrophobicContact CG2-CG 3.72Å; I497-L587 HydrophobicContact CD1-CD2 3.7Å; I497-L587 HydrophobicContact CG1-CD2 4.05Å; I497-L587 HydrophobicContact CG2-CD2 4.14Å; I497-L628 HydrophobicContact CD1-CD1 3.81Å; I497-L628 HydrophobicContact CG1-CD1 4.1Å
498Y93.4Very high92.1Very high11 Ų1141.6 Ų41.64%0.04321%0.208CC..EExtended strand (participates in β ladder)trans-126157.9177.5-66.3-75.8000112.9N496 I502 L542 A543 F544 L545 L650 A653 K654N496-Y498 HydrophobicContact CB-CD2 4.21Å; N496-Y498 HydrophobicContact CB-CE2 3.47Å; N496-Y498 VanDerWaalsContact CB-CE2 3.47Å; Y498-I502 HydrophobicContact CD1-CG1 4.49Å; Y498-I502 HydrophobicContact CG-CG2 4.42Å; Y498-L542 HydrophobicContact CE2-CD2 4.02Å; Y498-A543 PolarHBondContact N-O 2.93Å; Y498-F544 HydrophobicContact CD2-CE1 4.47Å; Y498-F544 CarbonylContact O-C 3.58Å; Y498-F544 WeakPolarHBondContact O-CA 3.15Å; Y498-L545 PolarHBondContact O-N 3.33Å; Y498-L650 HydrophobicContact CD2-CD2 4.15Å; Y498-L650 HydrophobicContact CE1-CD2 4.34Å; Y498-L650 HydrophobicContact CE2-CD2 3.77Å; Y498-A653 HydrophobicContact CD1-CB 3.97Å; Y498-A653 HydrophobicContact CE1-CB 3.89Å; Y498-K654 HydrophobicContact CE1-CG 4.29Å; Y498-K654 WeakPolarHBondContact OH-CE 3.46Å
499P91.7Very high91.8Very high61 Ų6143.5 Ų43.540%0.39622%0.216SC..EExtended strand (participates in β ladder)trans-65.5149.3168.7-20.432.8000112.5K501 I502P499-K501 PolarHBondContact O-N 3.04Å; P499-I502 WeakPolarHBondContact O-CB 3.3Å; P499-I502 PolarHBondContact O-N 3.48Å
500A90.7Very high91.5Very high2 Ų244.7 Ų44.72%0.01722%0.222CC..Hα-helixtrans-49-34.9176.900000114.5I502 L503 G504 I526 T531 L545 Q547A500-I502 PolarHBondContact O-N 3.25Å; A500-L503 WeakPolarHBondContact O-CB 3.47Å; A500-L503 PolarHBondContact O-N 2.67Å; A500-L503 VanDerWaalsContact O-N 3.1Å; A500-G504 PolarHBondContact O-N 2.81Å; A500-G504 VanDerWaalsContact O-N 3.15Å; A500-I526 HydrophobicContact CB-CB 4.38Å; A500-I526 HydrophobicContact CB-CG2 4.41Å; A500-T531 HydrophobicContact CB-CG2 3.63Å; A500-L545 WeakPolarHBondContact CB-O 3.21Å; A500-L545 PolarHBondContact N-O 2.72Å; A500-L545 VanDerWaalsContact N-O 3.16Å; A500-Q547 HydrophobicContact CB-CB 4.22Å
501K88.3Confident91.4Very high124 Ų12440.1 Ų40.154%0.53921%0.208SC..Hα-helixtrans-56.6-31.4177.5-173.7175.3-177.3173.60113.7P499 G504 Q505P499-K501 PolarHBondContact O-N 3.04Å; K501-G504 PolarHBondContact O-N 2.89Å; K501-Q505 WeakPolarHBondContact O-CG 3.27Å; K501-Q505 PolarHBondContact O-N 3.03Å; K501-Q505 VanDerWaalsContact O-N 3.17Å
502I91.2Very high91.3Very high17 Ų1737.5 Ų37.59%0.08720%0.201CC..Hα-helixtrans-70.1-42.5178.1-57.1-53.9000110.2Y498 P499 A500 G504 Q505 L506 F544 I649 L650 A653Y498-I502 HydrophobicContact CD1-CG1 4.49Å; Y498-I502 HydrophobicContact CG-CG2 4.42Å; P499-I502 WeakPolarHBondContact O-CB 3.3Å; P499-I502 PolarHBondContact O-N 3.48Å; A500-I502 PolarHBondContact O-N 3.25Å; I502-G504 PolarHBondContact O-N 3.18Å; I502-Q505 WeakPolarHBondContact O-CB 3.34Å; I502-Q505 PolarHBondContact O-N 3.36Å; I502-L506 WeakPolarHBondContact O-CG 3.3Å; I502-L506 PolarHBondContact O-N 2.7Å; I502-F544 HydrophobicContact CB-CE1 4.36Å; I502-I649 HydrophobicContact CG2-CG2 4.04Å; I502-L650 HydrophobicContact CG2-CD2 3.83Å; I502-A653 HydrophobicContact CD1-CB 3.75Å; I502-A653 HydrophobicContact CG1-CB 4.09Å
503L91.4Very high91.3Very high0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-60-38173.5-17757.8000111.5A500 Q505 L506 Y507 I526 S530 Y535 F544A500-L503 WeakPolarHBondContact O-CB 3.47Å; A500-L503 PolarHBondContact O-N 2.67Å; A500-L503 VanDerWaalsContact O-N 3.1Å; L503-Q505 VanDerWaalsContact C-N 3.3Å; L503-Q505 PolarHBondContact O-N 3.28Å; L503-L506 PolarHBondContact O-N 3.47Å; L503-Y507 HydrophobicContact CD1-CD1 4.2Å; L503-Y507 HydrophobicContact CD1-CE1 3.97Å; L503-Y507 HydrophobicContact CD1-CE2 4.33Å; L503-Y507 HydrophobicContact CG-CD2 4.44Å; L503-Y507 HydrophobicContact CG-CE2 4.3Å; L503-Y507 PolarHBondContact O-N 3.43Å; L503-I526 HydrophobicContact CB-CG1 4.16Å; L503-I526 HydrophobicContact CD2-CG2 3.79Å; L503-I526 HydrophobicContact CG-CD1 4.14Å; L503-I526 HydrophobicContact CG-CG1 4.19Å; L503-I526 HydrophobicContact CG-CG2 4.34Å; L503-S530 WeakPolarHBondContact CD2-O 3.38Å; L503-Y535 HydrophobicContact CD1-CE1 4.17Å; L503-Y535 HydrophobicContact CD1-CE2 4.39Å; L503-Y535 HydrophobicContact CD2-CE2 3.81Å; L503-Y535 WeakPolarHBondContact CD2-OH 3.42Å; L503-F544 HydrophobicContact CB-CD1 3.8Å; L503-F544 HydrophobicContact CB-CD2 4.46Å; L503-F544 HydrophobicContact CB-CE1 3.64Å; L503-F544 HydrophobicContact CB-CE2 4.32Å; L503-F544 HydrophobicContact CB-CG 4.21Å; L503-F544 HydrophobicContact CB-CZ 3.92Å; L503-F544 HydrophobicContact CD1-CE2 4.09Å; L503-F544 HydrophobicContact CD1-CZ 4.05Å; L503-F544 HydrophobicContact CD2-CD2 4.1Å; L503-F544 HydrophobicContact CD2-CE2 4.3Å; L503-F544 HydrophobicContact CD2-CG 4.33Å; L503-F544 HydrophobicContact CG-CE2 4.48Å; L503-F544 HydrophobicContact CG-CZ 4.44Å
504G90.1Very high91.4Very high1 Ų141.1 Ų41.11%0.0122%0.215CC..Hα-helixtrans-62.6-34.3174.500000113.7A500 K501 I502 R508 G524 I526A500-G504 PolarHBondContact O-N 2.81Å; A500-G504 VanDerWaalsContact O-N 3.15Å; K501-G504 PolarHBondContact O-N 2.89Å; I502-G504 PolarHBondContact O-N 3.18Å; G504-R508 PolarHBondContact O-N 3.04Å; G504-G524 WeakPolarHBondContact CA-O 3.08Å; G504-I526 VanDerWaalsContact CA-CG1 3.48Å; G504-I526 VanDerWaalsContact N-CG1 3.32Å
505Q89.7Confident91.4Very high61 Ų6147 Ų4729%0.28523%0.231SC..Hα-helixtrans-70.3-40.9174.3-69.3173.9-8.200111.8K501 I502 L503 R508 I649K501-Q505 WeakPolarHBondContact O-CG 3.27Å; K501-Q505 PolarHBondContact O-N 3.03Å; K501-Q505 VanDerWaalsContact O-N 3.17Å; I502-Q505 WeakPolarHBondContact O-CB 3.34Å; I502-Q505 PolarHBondContact O-N 3.36Å; L503-Q505 VanDerWaalsContact C-N 3.3Å; L503-Q505 PolarHBondContact O-N 3.28Å; Q505-R508 PolarHBondContact O-N 3.35Å; Q505-I649 HydrophobicContact CB-CD1 4.26Å; Q505-I649 HydrophobicContact CB-CG2 4.09Å
506L89.1Confident91.4Very high0 Ų048.4 Ų48.40%024%0.238CC..Hα-helixtrans-62.3-48.1176.1-66.5176.1000111.3I502 L503 R508 H509 I640 F642 A646 I649I502-L506 WeakPolarHBondContact O-CG 3.3Å; I502-L506 PolarHBondContact O-N 2.7Å; L503-L506 PolarHBondContact O-N 3.47Å; L506-R508 PolarHBondContact O-N 3.41Å; L506-R508 VanDerWaalsContact O-N 3.14Å; L506-H509 PolarHBondContact O-N 3.28Å; L506-H509 VanDerWaalsContact O-N 3.11Å; L506-I640 HydrophobicContact CD1-CD1 4.26Å; L506-F642 HydrophobicContact CB-CD2 3.82Å; L506-F642 HydrophobicContact CB-CE2 3.61Å; L506-F642 HydrophobicContact CB-CZ 4.3Å; L506-F642 HydrophobicContact CD2-CD2 4.04Å; L506-F642 HydrophobicContact CG-CD2 4.39Å; L506-F642 HydrophobicContact CG-CE2 4.45Å; L506-F642 WeakPolarHBondContact O-CD1 3.36Å; L506-F642 WeakPolarHBondContact O-CE1 3.45Å; L506-A646 HydrophobicContact CD2-CB 3.85Å; L506-I649 HydrophobicContact CD2-CB 4.35Å; L506-I649 HydrophobicContact CD2-CD1 4.14Å; L506-I649 HydrophobicContact CD2-CG2 4.23Å
507Y89.6Confident91.4Very high13 Ų1352.1 Ų52.15%0.05127%0.265CS..Hα-helixtrans-64.6-15.6179.7-81.3-2.6000115.2L503 H509 L510 R521 I526 Y535 F642L503-Y507 HydrophobicContact CD1-CD1 4.2Å; L503-Y507 HydrophobicContact CD1-CE1 3.97Å; L503-Y507 HydrophobicContact CD1-CE2 4.33Å; L503-Y507 HydrophobicContact CG-CD2 4.44Å; L503-Y507 HydrophobicContact CG-CE2 4.3Å; L503-Y507 PolarHBondContact O-N 3.43Å; Y507-H509 PolarHBondContact O-N 3.21Å; Y507-L510 VanDerWaalsContact O-CB 3.25Å; Y507-L510 WeakPolarHBondContact O-CB 3.22Å; Y507-L510 PolarHBondContact O-N 2.74Å; Y507-L510 VanDerWaalsContact O-N 3.15Å; Y507-R521 WeakPolarHBondContact O-CB 3.43Å; Y507-I526 HydrophobicContact CD2-CD1 3.52Å; Y507-I526 HydrophobicContact CE2-CD1 4.09Å; Y507-I526 HydrophobicContact CG-CD1 4.41Å; Y507-Y535 VanDerWaalsContact OH-CE1 3.3Å; Y507-Y535 WeakPolarHBondContact OH-CE1 3.06Å; Y507-Y535 PolarHBondContact OH-OH 3.16Å; Y507-F642 HydrophobicContact CD1-CE1 4.41Å; Y507-F642 AromaticContact CD1-CZ 3.7Å; Y507-F642 HydrophobicContact CD1-CZ 3.7Å; Y507-F642 HydrophobicContact CE1-CZ 4.08Å
508R88.6Confident91.4Very high122 Ų12251.1 Ų51.146%0.4626%0.26SS..THydrogen-bonded Turntrans-59-32.7170.5-80.8-162-172.5102.11.6112.9G504 Q505 L506 L510 R521G504-R508 PolarHBondContact O-N 3.04Å; Q505-R508 PolarHBondContact O-N 3.35Å; L506-R508 PolarHBondContact O-N 3.41Å; L506-R508 VanDerWaalsContact O-N 3.14Å; R508-L510 VanDerWaalsContact C-N 3.27Å; R508-L510 PolarHBondContact O-N 3.37Å; R508-R521 PolarHBondContact O-N 2.91Å
509H87.9Confident91.4Very high77 Ų7753.5 Ų53.536%0.35628%0.279SS..THydrogen-bonded Turntrans-78.8-11.9-178.8-63.4-62.3000113.2L506 Y507 G511 A512 F642 S645L506-H509 PolarHBondContact O-N 3.28Å; L506-H509 VanDerWaalsContact O-N 3.11Å; Y507-H509 PolarHBondContact O-N 3.21Å; H509-G511 PolarHBondContact O-N 3.29Å; H509-A512 WeakPolarHBondContact O-CB 3.39Å; H509-A512 PolarHBondContact O-N 3.39Å; H509-A512 VanDerWaalsContact O-N 3.15Å; H509-F642 HydrophobicContact CB-CB 4.22Å; H509-F642 HydrophobicContact CB-CD1 3.86Å; H509-F642 HydrophobicContact CB-CG 4.37Å; H509-S645 PolarHBondContact CD2-OG 3.15Å; H509-S645 PolarHBondContact NE2-OG 3.38Å
510L90Very high91.4Very high25 Ų2550.6 Ų50.613%0.13126%0.26CS..THydrogen-bonded Turntrans-65.4122.8178.7-176.866.9000110.2Q161 F165 R224 Y507 R508 A512 G520 R521 F642Q161-L510 HydrophobicContact CG-CD1 4.23Å; Q161-L510 HydrophobicContact CG-CD2 4.46Å; Q161-L510 HydrophobicContact CG-CG 3.86Å; F165-L510 HydrophobicContact CE1-CD2 4.08Å; F165-L510 VanDerWaalsContact CE2-O 3.28Å; F165-L510 WeakPolarHBondContact CE2-O 3.36Å; F165-L510 HydrophobicContact CZ-CB 4.19Å; F165-L510 HydrophobicContact CZ-CD2 3.8Å; F165-L510 HydrophobicContact CZ-CG 3.9Å; F165-L510 WeakPolarHBondContact CZ-O 3.32Å; R224-L510 HydrophobicContact CB-CD1 4.19Å; R224-L510 HydrophobicContact CB-CD2 3.7Å; R224-L510 HydrophobicContact CG-CD1 4.19Å; Y507-L510 VanDerWaalsContact O-CB 3.25Å; Y507-L510 WeakPolarHBondContact O-CB 3.22Å; Y507-L510 PolarHBondContact O-N 2.74Å; Y507-L510 VanDerWaalsContact O-N 3.15Å; R508-L510 VanDerWaalsContact C-N 3.27Å; R508-L510 PolarHBondContact O-N 3.37Å; L510-A512 VanDerWaalsContact C-N 3.28Å; L510-A512 PolarHBondContact O-N 2.86Å; L510-G520 CarbonylContact O-C 3.58Å; L510-G520 WeakPolarHBondContact O-CA 3.39Å; L510-R521 PolarHBondContact O-N 3.28Å; L510-F642 HydrophobicContact CB-CE1 4.22Å
511G91.4Very high91.4Very high11 Ų1150.9 Ų50.911%0.11326%0.26CS..THydrogen-bonded Turntrans76.47-177.300000114.8N162 H509 C513N162-G511 PolarHBondContact ND2-O 2.9Å; H509-G511 PolarHBondContact O-N 3.29Å; G511-C513 PolarHBondContact O-N 2.88Å
512A92.1Very high91.1Very high52 Ų5247.3 Ų47.343%0.4325%0.251SS..EExtended strand (participates in β ladder)trans-65.1131.5174.700000110.6H509 L510 L518H509-A512 WeakPolarHBondContact O-CB 3.39Å; H509-A512 PolarHBondContact O-N 3.39Å; H509-A512 VanDerWaalsContact O-N 3.15Å; L510-A512 VanDerWaalsContact C-N 3.28Å; L510-A512 PolarHBondContact O-N 2.86Å; A512-L518 WeakPolarHBondContact CA-O 3.39Å
513C93.6Very high90.2Very high16 Ų1648.3 Ų48.311%0.10826%0.258CS..EExtended strand (participates in β ladder)trans-149.5105.9179.4-1790000110.4A158 G511 K515 L516 S517 L518A158-C513 HydrophobicContact CB-CB 3.76Å; G511-C513 PolarHBondContact O-N 2.88Å; C513-K515 VanDerWaalsContact C-N 3.35Å; C513-K515 PolarHBondContact O-N 3.48Å; C513-L516 HydrophobicContact CB-CB 4.42Å; C513-L516 PolarHBondContact O-N 2.62Å; C513-S517 PolarHBondContact O-N 3Å; C513-S517 VanDerWaalsContact O-N 3.12Å; C513-L518 HydrophobicContact CB-CB 4.36Å; C513-L518 PolarHBondContact N-O 3.12Å; C513-L518 PolarHBondContact O-N 3.15Å
514E91.8Very high89.2Confident187 Ų18749.6 Ų49.687%0.87427%0.271SS*.G310 helixtrans-62.7-39.4-178.5-171.1178.6-178.100112.3L516 S517E514-L516 PolarHBondContact O-N 3.05Å; E514-S517 PolarHBondContact O-N 3.35Å
515K94.3Very high88.7Confident162 Ų16254.4 Ų54.470%0.70429%0.293SS*.G310 helixtrans-60.8-29.4179.3-65.8-179.5-174.6170.60113.4E155 C513E155-K515 HydrophobicContact CG-CD 4.02Å; E155-K515 IonicContact OE1-NZ 3.79Å; E155-K515 PolarHBondContact OE1-NZ 2.85Å; C513-K515 VanDerWaalsContact C-N 3.35Å; C513-K515 PolarHBondContact O-N 3.48Å
516L95.2Very high88.6Confident29 Ų2952 Ų5215%0.15228%0.283CS..G310 helixtrans-103.26.1178-63.3179.2000112.4M88 E155 F159 C513 E514 L518M88-L516 HydrophobicContact CE-CD1 3.98Å; M88-L516 HydrophobicContact CE-CD2 4.37Å; E155-L516 HydrophobicContact CB-CD1 4.34Å; E155-L516 WeakPolarHBondContact O-CD1 3.47Å; F159-L516 HydrophobicContact CB-CD1 3.96Å; F159-L516 HydrophobicContact CD2-CD1 4.34Å; C513-L516 HydrophobicContact CB-CB 4.42Å; C513-L516 PolarHBondContact O-N 2.62Å; E514-L516 PolarHBondContact O-N 3.05Å; L516-L518 HydrophobicContact CB-CD1 3.81Å; L516-L518 HydrophobicContact CB-CG 3.86Å; L516-L518 HydrophobicContact CD1-CD1 4.03Å; L516-L518 PolarHBondContact O-N 3.02Å
517S95.1Very high88.6Confident96 Ų9652.5 Ų52.567%0.67129%0.287SS*.THydrogen-bonded Turntrans53.833-174.7-57.60000113.8C513 E514C513-S517 PolarHBondContact O-N 3Å; C513-S517 VanDerWaalsContact O-N 3.12Å; E514-S517 PolarHBondContact O-N 3.35Å
518L95.2Very high88.7Confident6 Ų652.8 Ų52.83%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-97.2124.7180-64.4173.3000110.1S91 V94 E95 F159 N162 A512 C513 L516 G520S91-L518 WeakPolarHBondContact O-CD2 3.43Å; V94-L518 HydrophobicContact CB-CD2 4.4Å; V94-L518 HydrophobicContact CG1-CD2 4.41Å; E95-L518 HydrophobicContact CB-CD2 4.23Å; F159-L518 HydrophobicContact CD2-CD1 4.11Å; N162-L518 HydrophobicContact CB-CD1 4.21Å; N162-L518 HydrophobicContact CB-CD2 4.45Å; A512-L518 WeakPolarHBondContact CA-O 3.39Å; C513-L518 HydrophobicContact CB-CB 4.36Å; C513-L518 PolarHBondContact N-O 3.12Å; C513-L518 PolarHBondContact O-N 3.15Å; L516-L518 HydrophobicContact CB-CD1 3.81Å; L516-L518 HydrophobicContact CB-CG 3.86Å; L516-L518 HydrophobicContact CD1-CD1 4.03Å; L516-L518 PolarHBondContact O-N 3.02Å; L518-G520 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 3.11Å
519S92.7Very high89Confident62 Ų6247.1 Ų47.143%0.43427%0.268SS..EExtended strand (participates in β ladder)trans-82.8-8.1-176.863.30000114.8E95E95-S519 VanDerWaalsContact CD-OG 3.24Å; E95-S519 WeakPolarHBondContact OE1-CB 3.49Å; E95-S519 PolarHBondContact OE1-OG 3.16Å; E95-S519 PolarHBondContact OE2-N 3.16Å; E95-S519 PolarHBondContact OE2-OG 3.04Å; E95-S519 VanDerWaalsContact OE2-OG 3.11Å
520G91.3Very high89.2Confident0 Ų043.7 Ų43.70%025%0.253CS..  trans84.7-148.6-171.600000113K98 L510 L518K98-G520 PolarHBondContact NZ-O 3.04Å; L510-G520 CarbonylContact O-C 3.58Å; L510-G520 WeakPolarHBondContact O-CA 3.39Å; L518-G520 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 3.11Å
521R90.6Very high89.4Confident8 Ų842.5 Ų42.53%0.0325%0.247CC..  trans-71129.6-176.7-164.9177.5-175.3155.54111.4F165 E168 S226 Y507 R508 L510 T523F165-R521 HydrophobicContact CD1-CG 4.16Å; F165-R521 HydrophobicContact CD2-CB 4.44Å; F165-R521 HydrophobicContact CE1-CB 4.04Å; F165-R521 HydrophobicContact CE1-CG 3.96Å; F165-R521 HydrophobicContact CE2-CB 3.97Å; F165-R521 HydrophobicContact CZ-CB 3.74Å; F165-R521 HydrophobicContact CZ-CG 4.2Å; E168-R521 IonicContact OE2-NH2 3.93Å; S226-R521 VanDerWaalsContact CB-NH2 3.3Å; S226-R521 PolarHBondContact OG-NH2 3.3Å; Y507-R521 WeakPolarHBondContact O-CB 3.43Å; R508-R521 PolarHBondContact O-N 2.91Å; L510-R521 PolarHBondContact O-N 3.28Å; R521-T523 PolarHBondContact NE-OG1 2.85Å
522S81.2Confident89.7Confident49 Ų4942 Ų4234%0.34324%0.242SC..  trans-80.8-35.2-179.355.70000113.3
523T72.9Confident89.8Confident38 Ų3839.7 Ų39.723%0.23322%0.222CC..  trans-90137-176.160.60000111.6R521R521-T523 PolarHBondContact NE-OG1 2.85Å
524G71.4Confident90Very high27 Ų2738.9 Ų38.928%0.27822%0.217SC..  trans-100.36173.200000113.5G504G504-G524 WeakPolarHBondContact CA-O 3.08Å
525E79.3Confident90.1Very high102 Ų10230 Ų3048%0.47718%0.175SC..  trans-80.5127.5-179.5-70.2-176.1-163.200110.2
526I87.5Confident90Very high11 Ų1126.6 Ų26.66%0.05616%0.158CC..  trans-117.4127.9179.8-63.9-59.1000107.6A500 L503 G504 Y507 T531A500-I526 HydrophobicContact CB-CB 4.38Å; A500-I526 HydrophobicContact CB-CG2 4.41Å; L503-I526 HydrophobicContact CB-CG1 4.16Å; L503-I526 HydrophobicContact CD2-CG2 3.79Å; L503-I526 HydrophobicContact CG-CD1 4.14Å; L503-I526 HydrophobicContact CG-CG1 4.19Å; L503-I526 HydrophobicContact CG-CG2 4.34Å; G504-I526 VanDerWaalsContact CA-CG1 3.48Å; G504-I526 VanDerWaalsContact N-CG1 3.32Å; Y507-I526 HydrophobicContact CD2-CD1 3.52Å; Y507-I526 HydrophobicContact CE2-CD1 4.09Å; Y507-I526 HydrophobicContact CG-CD1 4.41Å; I526-T531 HydrophobicContact CG2-CG2 3.7Å
527G89Confident89.6Confident10 Ų1026 Ų2610%0.10316%0.155CC..  trans-91.9-170.4178.400000114D228 T531D228-G527 WeakPolarHBondContact OD1-CA 3.23Å; D228-G527 WeakPolarHBondContact OD2-CA 3.3Å; G527-T531 PolarHBondContact O-N 2.92Å; G527-T531 PolarHBondContact O-OG1 3.45Å; G527-T531 VanDerWaalsContact O-OG1 3.04Å
528I92.2Very high89.1Confident19 Ų1923.9 Ų23.910%0.09715%0.148CC..Hα-helixtrans-74.6-34.6-170.2-170.462.3000111.6D228 S530 T531 S532 P546 F548 C570 Y573 L574 L586D228-I528 PolarHBondContact OD1-N 3.07Å; I528-S530 VanDerWaalsContact C-N 3.34Å; I528-S530 PolarHBondContact O-N 3.43Å; I528-T531 WeakPolarHBondContact CA-OG1 3.24Å; I528-T531 PolarHBondContact O-N 3.32Å; I528-T531 PolarHBondContact O-OG1 3.03Å; I528-T531 VanDerWaalsContact O-OG1 3.11Å; I528-S532 VanDerWaalsContact O-CB 3.23Å; I528-S532 WeakPolarHBondContact O-CB 3.25Å; I528-S532 PolarHBondContact O-N 2.93Å; I528-S532 PolarHBondContact O-OG 3.22Å; I528-P546 HydrophobicContact CD1-CB 3.82Å; I528-P546 HydrophobicContact CD1-CG 3.8Å; I528-F548 HydrophobicContact CD1-CE1 4.3Å; I528-C570 HydrophobicContact CD1-CB 4.25Å; I528-C570 HydrophobicContact CG1-CB 4.11Å; I528-Y573 HydrophobicContact CG2-CD1 3.7Å; I528-Y573 HydrophobicContact CG2-CE1 3.88Å; I528-L574 HydrophobicContact CG1-CD1 4.32Å; I528-L574 HydrophobicContact CG1-CD2 4.37Å; I528-L574 HydrophobicContact CG1-CG 4.36Å; I528-L586 HydrophobicContact CD1-CD1 3.69Å
529F93.3Very high88.6Confident2 Ų231.8 Ų31.81%0.00919%0.191CC..Hα-helixtrans-63.9-44.9177.4-66.8-75.7000111.1L227 D228 E231 T531 S532 Y573 L574 A577 W578L227-F529 HydrophobicContact CB-CB 3.8Å; L227-F529 HydrophobicContact CB-CG 4.18Å; L227-F529 HydrophobicContact CD1-CB 4.24Å; D228-F529 HydrophobicContact CB-CD2 4.38Å; D228-F529 WeakPolarHBondContact OD1-CD2 3.49Å; D228-F529 PolarHBondContact OD1-N 3.43Å; E231-F529 HydrophobicContact CB-CE2 4.26Å; E231-F529 HydrophobicContact CG-CE2 4.38Å; F529-T531 VanDerWaalsContact C-N 3.28Å; F529-T531 PolarHBondContact O-N 2.93Å; F529-S532 PolarHBondContact O-N 3.36Å; F529-S532 VanDerWaalsContact O-N 3.14Å; F529-Y573 HydrophobicContact CD2-CE1 4.22Å; F529-Y573 AromaticContact CE2-CD1 3.96Å; F529-Y573 HydrophobicContact CE2-CD1 3.96Å; F529-Y573 AromaticContact CE2-CE1 3.23Å; F529-Y573 HydrophobicContact CE2-CE1 3.23Å; F529-Y573 AromaticContact CE2-CZ 3.67Å; F529-Y573 AromaticContact CZ-CD1 3.92Å; F529-Y573 HydrophobicContact CZ-CD1 3.92Å; F529-Y573 AromaticContact CZ-CE1 3.61Å; F529-Y573 HydrophobicContact CZ-CE1 3.61Å; F529-Y573 AromaticContact CZ-CZ 3.99Å; F529-L574 HydrophobicContact CD1-CD2 3.96Å; F529-L574 HydrophobicContact CE1-CD2 4.04Å; F529-A577 HydrophobicContact CE1-CB 4.09Å; F529-A577 HydrophobicContact CE2-CB 4.5Å; F529-A577 HydrophobicContact CZ-CB 3.52Å; F529-W578 AromaticContact CD1-CE3 3.69Å; F529-W578 HydrophobicContact CD1-CE3 3.69Å; F529-W578 HydrophobicContact CD1-CZ3 4.12Å; F529-W578 HydrophobicContact CE1-CE3 4.26Å
530S92.4Very high88.4Confident5 Ų531.8 Ų31.84%0.03518%0.184CC..Hα-helixtrans-65.4-29.9-179.7-58.40000113.2D228 L503 I528 Y535D228-S530 PolarHBondContact OD2-N 3.5Å; D228-S530 PolarHBondContact OD2-OG 3.04Å; L503-S530 WeakPolarHBondContact CD2-O 3.38Å; I528-S530 VanDerWaalsContact C-N 3.34Å; I528-S530 PolarHBondContact O-N 3.43Å; S530-Y535 VanDerWaalsContact O-CE2 3.3Å; S530-Y535 WeakPolarHBondContact O-CE2 3.37Å; S530-Y535 PolarHBondContact O-OH 2.98Å
531T95.2Very high88.5Confident1 Ų132.3 Ų32.31%0.00619%0.187CC..Hα-helixtrans-86-15.2175.6460000113.6A500 I526 G527 I528 F529 Q533 F544A500-T531 HydrophobicContact CB-CG2 3.63Å; I526-T531 HydrophobicContact CG2-CG2 3.7Å; G527-T531 PolarHBondContact O-N 2.92Å; G527-T531 PolarHBondContact O-OG1 3.45Å; G527-T531 VanDerWaalsContact O-OG1 3.04Å; I528-T531 WeakPolarHBondContact CA-OG1 3.24Å; I528-T531 PolarHBondContact O-N 3.32Å; I528-T531 PolarHBondContact O-OG1 3.03Å; I528-T531 VanDerWaalsContact O-OG1 3.11Å; F529-T531 VanDerWaalsContact C-N 3.28Å; F529-T531 PolarHBondContact O-N 2.93Å; T531-Q533 VanDerWaalsContact C-N 3.27Å; T531-Q533 PolarHBondContact O-N 2.93Å; T531-F544 HydrophobicContact CG2-CB 3.88Å
532S96.8Very high88.8Confident1 Ų131.9 Ų31.91%0.00719%0.185CC..SBendtrans-91.332.8-172-59.30000114.6I528 F529 W578 L585I528-S532 VanDerWaalsContact O-CB 3.23Å; I528-S532 WeakPolarHBondContact O-CB 3.25Å; I528-S532 PolarHBondContact O-N 2.93Å; I528-S532 PolarHBondContact O-OG 3.22Å; F529-S532 PolarHBondContact O-N 3.36Å; F529-S532 VanDerWaalsContact O-N 3.14Å; S532-W578 VanDerWaalsContact O-CH2 3.23Å; S532-W578 WeakPolarHBondContact O-CH2 3.25Å; S532-L585 CarbonylContact C-O 3.52Å; S532-L585 WeakPolarHBondContact CA-O 3.42Å; S532-L585 WeakPolarHBondContact CB-O 3.5Å; S532-L585 PolarHBondContact O-N 3.16Å; S532-L585 PolarHBondContact OG-O 3.32Å
533Q95.9Very high89.5Confident2 Ų229.6 Ų29.61%0.00917%0.169CC..SBendtrans-152163.3-176.559.6-175.527.900111.3T531 Y535 W578 C636 R638T531-Q533 VanDerWaalsContact C-N 3.27Å; T531-Q533 PolarHBondContact O-N 2.93Å; Q533-Y535 HydrophobicContact CG-CD2 4.5Å; Q533-Y535 HydrophobicContact CG-CE2 3.73Å; Q533-Y535 VanDerWaalsContact NE2-CZ 3.27Å; Q533-Y535 PolarHBondContact NE2-OH 3.09Å; Q533-W578 HydrophobicContact CB-CH2 4.25Å; Q533-C636 HydrophobicContact CB-CB 3.75Å; Q533-C636 PolarHBondContact OE1-SG 2.91Å; Q533-R638 VanDerWaalsContact OE1-NE 3.14Å
534F96.8Very high90.6Very high0 Ų027.8 Ų27.80%016%0.158CC..EExtended strand (participates in β ladder)trans-84.6153172.4-70.6-68.6000112.1I495 T541 L542 A543 L585 L628 E632 C636 L637 R638I495-F534 HydrophobicContact CD1-CE1 3.88Å; I495-F534 HydrophobicContact CD1-CZ 4.23Å; I495-F534 HydrophobicContact CG2-CD1 4.47Å; I495-F534 HydrophobicContact CG2-CE1 4.07Å; F534-T541 HydrophobicContact CB-CG2 4.33Å; F534-T541 HydrophobicContact CD1-CG2 3.85Å; F534-T541 HydrophobicContact CG-CG2 4.31Å; F534-L542 WeakPolarHBondContact CA-O 3.1Å; F534-A543 HydrophobicContact CD1-CB 4.05Å; F534-A543 HydrophobicContact CE1-CB 3.99Å; F534-L585 HydrophobicContact CD1-CD2 4.18Å; F534-L585 HydrophobicContact CD2-CD2 4.23Å; F534-L585 HydrophobicContact CE1-CD2 3.72Å; F534-L585 HydrophobicContact CE2-CD2 3.77Å; F534-L585 HydrophobicContact CG-CD2 4.42Å; F534-L585 HydrophobicContact CZ-CD2 3.51Å; F534-L628 HydrophobicContact CE1-CD2 3.81Å; F534-L628 HydrophobicContact CZ-CB 4.27Å; F534-L628 HydrophobicContact CZ-CD2 3.64Å; F534-E632 HydrophobicContact CE2-CB 4.34Å; F534-C636 PolarHBondContact N-O 3.29Å; F534-L637 HydrophobicContact CB-CB 4.4Å; F534-L637 HydrophobicContact CB-CD1 3.45Å; F534-L637 VanDerWaalsContact CB-CD1 3.45Å; F534-L637 WeakPolarHBondContact O-CA 3.46Å; F534-R638 PolarHBondContact O-N 3.46Å
535Y94Very high91.8Very high0 Ų027.1 Ų27.10%015%0.148CC..EExtended strand (participates in β ladder)trans-125.7145.6171.6-65.8-95.3000110.6L503 Y507 S530 Q533 T541 L542 F544 R638 I640L503-Y535 HydrophobicContact CD1-CE1 4.17Å; L503-Y535 HydrophobicContact CD1-CE2 4.39Å; L503-Y535 HydrophobicContact CD2-CE2 3.81Å; L503-Y535 WeakPolarHBondContact CD2-OH 3.42Å; Y507-Y535 VanDerWaalsContact OH-CE1 3.3Å; Y507-Y535 WeakPolarHBondContact OH-CE1 3.06Å; Y507-Y535 PolarHBondContact OH-OH 3.16Å; S530-Y535 VanDerWaalsContact O-CE2 3.3Å; S530-Y535 WeakPolarHBondContact O-CE2 3.37Å; S530-Y535 PolarHBondContact O-OH 2.98Å; Q533-Y535 HydrophobicContact CG-CD2 4.5Å; Q533-Y535 HydrophobicContact CG-CE2 3.73Å; Q533-Y535 VanDerWaalsContact NE2-CZ 3.27Å; Q533-Y535 PolarHBondContact NE2-OH 3.09Å; Y535-T541 CarbonylContact O-C 3.48Å; Y535-T541 WeakPolarHBondContact O-CA 3.21Å; Y535-L542 PolarHBondContact N-O 2.72Å; Y535-L542 PolarHBondContact O-N 2.83Å; Y535-F544 AromaticContact CD2-CD2 3.58Å; Y535-F544 HydrophobicContact CD2-CD2 3.58Å; Y535-F544 AromaticContact CD2-CE2 3.37Å; Y535-F544 HydrophobicContact CD2-CE2 3.37Å; Y535-F544 AromaticContact CE2-CD2 3.74Å; Y535-F544 HydrophobicContact CE2-CD2 3.74Å; Y535-F544 AromaticContact CE2-CE2 3.85Å; Y535-F544 HydrophobicContact CE2-CE2 3.85Å; Y535-F544 AromaticContact CG-CE2 3.98Å; Y535-F544 HydrophobicContact CG-CE2 3.98Å; Y535-R638 CarbonylContact C-O 3.5Å; Y535-R638 WeakPolarHBondContact CA-O 3.35Å; Y535-R638 HydrophobicContact CD1-CB 4.19Å; Y535-R638 HydrophobicContact CE1-CB 4.34Å; Y535-I640 HydrophobicContact CD1-CD1 4.01Å; Y535-I640 HydrophobicContact CD1-CG1 4.23Å; Y535-I640 HydrophobicContact CD1-CG2 3.82Å; Y535-I640 HydrophobicContact CE1-CG2 4.31Å; Y535-I640 HydrophobicContact CG-CD1 4.27Å
536R92Very high92.4Very high90 Ų9022.4 Ų22.434%0.3413%0.126SC..EExtended strand (participates in β ladder)trans-116.9119172.5-171.8162.8-69.8153.9-0.3109.4G538 E540 E632 L637 R638 Q639 I640R536-G538 WeakPolarHBondContact CG-O 3.39Å; R536-E540 WeakPolarHBondContact CA-O 3.41Å; R536-E632 IonicContact NH2-OE1 2.71Å; R536-E632 PolarHBondContact NH2-OE1 2.95Å; R536-L637 HydrophobicContact CB-CD1 4.26Å; R536-R638 PolarHBondContact N-O 2.88Å; R536-Q639 WeakPolarHBondContact O-CA 3.4Å; R536-I640 PolarHBondContact O-N 3.38Å
537L87.6Confident92.5Very high17 Ų1725 Ų259%0.08914%0.138CC..EExtended strand (participates in β ladder)trans-119.9106.5176.8179.268.1000108.4D539 E540 L542 I640 A646 L650L537-D539 PolarHBondContact O-N 2.83Å; L537-E540 PolarHBondContact N-O 3.33Å; L537-E540 PolarHBondContact O-N 3.33Å; L537-E540 VanDerWaalsContact O-N 3.08Å; L537-L542 HydrophobicContact CB-CD1 4.07Å; L537-L542 HydrophobicContact CD2-CD1 4.46Å; L537-I640 HydrophobicContact CB-CD1 4.38Å; L537-I640 HydrophobicContact CB-CG1 4.17Å; L537-I640 HydrophobicContact CD1-CG1 4.38Å; L537-I640 WeakPolarHBondContact CD1-O 3.24Å; L537-A646 HydrophobicContact CD1-CB 4.42Å; L537-A646 HydrophobicContact CD2-CB 3.96Å; L537-L650 HydrophobicContact CD2-CD1 3.46Å; L537-L650 VanDerWaalsContact CD2-CD1 3.46Å
538G84Confident92.4Very high52 Ų5226.9 Ų26.954%0.53614%0.143SC..THydrogen-bonded Turntrans58.2-123-166.200000110.4R536R536-G538 WeakPolarHBondContact CG-O 3.39Å
539D84.4Confident92.2Very high172 Ų17226.2 Ų26.292%0.9214%0.14SC*.THydrogen-bonded Turntrans-94.7-2.5177.6-61.5-33.6000113.4L537L537-D539 PolarHBondContact O-N 2.83Å
540E88.6Confident91.5Very high61 Ų6128.3 Ų28.329%0.28515%0.151SC..EExtended strand (participates in β ladder)trans-91131179.1-66-165.7152.900111.7R536 L537 L542 K654R536-E540 WeakPolarHBondContact CA-O 3.41Å; L537-E540 PolarHBondContact N-O 3.33Å; L537-E540 PolarHBondContact O-N 3.33Å; L537-E540 VanDerWaalsContact O-N 3.08Å; E540-L542 HydrophobicContact CB-CD2 4.12Å; E540-K654 IonicContact OE1-NZ 3.11Å; E540-K654 PolarHBondContact OE1-NZ 3.32Å; E540-K654 IonicContact OE2-NZ 2.8Å
541T94.5Very high90.5Very high11 Ų1130.5 Ų30.57%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-91.8134.2168.1-60.60000109.9I495 N496 F534 Y535 E632I495-T541 WeakPolarHBondContact CA-O 3.14Å; I495-T541 HydrophobicContact CD1-CG2 4.47Å; I495-T541 HydrophobicContact CG1-CG2 3.95Å; I495-T541 HydrophobicContact CG2-CG2 4.35Å; N496-T541 PolarHBondContact N-O 3.33Å; F534-T541 HydrophobicContact CB-CG2 4.33Å; F534-T541 HydrophobicContact CD1-CG2 3.85Å; F534-T541 HydrophobicContact CG-CG2 4.31Å; Y535-T541 CarbonylContact O-C 3.48Å; Y535-T541 WeakPolarHBondContact O-CA 3.21Å; T541-E632 PolarHBondContact OG1-OE1 3.5Å
542L95.5Very high89.3Confident0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-123.3142.6-175-41.5-180000110.8N496 Y498 F534 Y535 L537 E540 F544 I640 L650N496-L542 HydrophobicContact CB-CD2 3.95Å; N496-L542 CarbonylContact O-C 3.6Å; N496-L542 WeakPolarHBondContact O-CA 3.28Å; Y498-L542 HydrophobicContact CE2-CD2 4.02Å; F534-L542 WeakPolarHBondContact CA-O 3.1Å; Y535-L542 PolarHBondContact N-O 2.72Å; Y535-L542 PolarHBondContact O-N 2.83Å; L537-L542 HydrophobicContact CB-CD1 4.07Å; L537-L542 HydrophobicContact CD2-CD1 4.46Å; E540-L542 HydrophobicContact CB-CD2 4.12Å; L542-F544 HydrophobicContact CB-CE2 4.05Å; L542-F544 HydrophobicContact CB-CZ 4.26Å; L542-F544 HydrophobicContact CD1-CZ 4.31Å; L542-I640 HydrophobicContact CD1-CD1 4.4Å; L542-L650 HydrophobicContact CD1-CD1 4.35Å
543A96.9Very high88.1Confident0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-129.3155.9169.900000110.2I495 N496 I497 Y498 F534 L585 L587I495-A543 HydrophobicContact CG2-CB 4.09Å; N496-A543 PolarHBondContact O-N 3.16Å; I497-A543 CarbonylContact C-O 3.53Å; I497-A543 VanDerWaalsContact CA-O 3.32Å; I497-A543 WeakPolarHBondContact CA-O 3.41Å; I497-A543 HydrophobicContact CG1-CB 4.37Å; Y498-A543 PolarHBondContact N-O 2.93Å; F534-A543 HydrophobicContact CD1-CB 4.05Å; F534-A543 HydrophobicContact CE1-CB 3.99Å; A543-L585 HydrophobicContact CB-CD2 4.5Å; A543-L587 HydrophobicContact CB-CD1 4.21Å; A543-L587 HydrophobicContact CB-CD2 4.46Å
544F96.2Very high87.6Confident0 Ų037.5 Ų37.50%020%0.196CC..EExtended strand (participates in β ladder)trans-127.2134.7-173.3-65.2-87.7000113.6Y498 I502 L503 T531 Y535 L542Y498-F544 HydrophobicContact CD2-CE1 4.47Å; Y498-F544 CarbonylContact O-C 3.58Å; Y498-F544 WeakPolarHBondContact O-CA 3.15Å; I502-F544 HydrophobicContact CB-CE1 4.36Å; L503-F544 HydrophobicContact CB-CD1 3.8Å; L503-F544 HydrophobicContact CB-CD2 4.46Å; L503-F544 HydrophobicContact CB-CE1 3.64Å; L503-F544 HydrophobicContact CB-CE2 4.32Å; L503-F544 HydrophobicContact CB-CG 4.21Å; L503-F544 HydrophobicContact CB-CZ 3.92Å; L503-F544 HydrophobicContact CD1-CE2 4.09Å; L503-F544 HydrophobicContact CD1-CZ 4.05Å; L503-F544 HydrophobicContact CD2-CD2 4.1Å; L503-F544 HydrophobicContact CD2-CE2 4.3Å; L503-F544 HydrophobicContact CD2-CG 4.33Å; L503-F544 HydrophobicContact CG-CE2 4.48Å; L503-F544 HydrophobicContact CG-CZ 4.44Å; T531-F544 HydrophobicContact CG2-CB 3.88Å; Y535-F544 AromaticContact CD2-CD2 3.58Å; Y535-F544 HydrophobicContact CD2-CD2 3.58Å; Y535-F544 AromaticContact CD2-CE2 3.37Å; Y535-F544 HydrophobicContact CD2-CE2 3.37Å; Y535-F544 AromaticContact CE2-CD2 3.74Å; Y535-F544 HydrophobicContact CE2-CD2 3.74Å; Y535-F544 AromaticContact CE2-CE2 3.85Å; Y535-F544 HydrophobicContact CE2-CE2 3.85Å; Y535-F544 AromaticContact CG-CE2 3.98Å; Y535-F544 HydrophobicContact CG-CE2 3.98Å; L542-F544 HydrophobicContact CB-CE2 4.05Å; L542-F544 HydrophobicContact CB-CZ 4.26Å; L542-F544 HydrophobicContact CD1-CZ 4.31Å
545L95.3Very high87.3Confident13 Ų1337.6 Ų37.67%0.06820%0.197CC..EExtended strand (participates in β ladder)trans-74.2136.1172.5-62.4178.7000110.3F486 I497 Y498 A500 L587 P589F486-L545 HydrophobicContact CE1-CD1 4.33Å; F486-L545 HydrophobicContact CZ-CD1 4.42Å; I497-L545 HydrophobicContact CG2-CD1 4.37Å; I497-L545 HydrophobicContact CG2-CD2 3.82Å; I497-L545 HydrophobicContact CG2-CG 3.72Å; Y498-L545 PolarHBondContact O-N 3.33Å; A500-L545 WeakPolarHBondContact CB-O 3.21Å; A500-L545 PolarHBondContact N-O 2.72Å; A500-L545 VanDerWaalsContact N-O 3.16Å; L545-L587 HydrophobicContact CD2-CB 3.71Å; L545-L587 HydrophobicContact CD2-CD2 4.32Å; L545-P589 HydrophobicContact CD1-CB 4.47Å; L545-P589 HydrophobicContact CD1-CG 4.16Å; L545-P589 HydrophobicContact CD2-CB 4.41Å; L545-P589 HydrophobicContact CD2-CG 4.07Å
546P93.5Very high87.2Confident4 Ų438.2 Ų38.23%0.02620%0.2CC..  trans-56.9145.3173.4-26.734.6000113.3I528 F548 F549 L586I528-P546 HydrophobicContact CD1-CB 3.82Å; I528-P546 HydrophobicContact CD1-CG 3.8Å; P546-F548 HydrophobicContact CB-CD1 3.75Å; P546-F548 HydrophobicContact CB-CE1 3.31Å; P546-F548 HydrophobicContact CB-CZ 3.76Å; P546-F548 HydrophobicContact CG-CE1 4.07Å; P546-F548 HydrophobicContact CG-CZ 4.16Å; P546-F548 PolarHBondContact O-N 3.4Å; P546-F548 VanDerWaalsContact O-N 3.11Å; P546-F549 HydrophobicContact CB-CD2 4.08Å; P546-F549 HydrophobicContact CB-CE2 4.31Å; P546-F549 HydrophobicContact CG-CD2 4.24Å; P546-F549 HydrophobicContact CG-CE2 4.12Å; P546-F549 PolarHBondContact O-N 2.96Å; P546-L586 HydrophobicContact CG-CD1 3.64Å
547Q88Confident86.9Confident65 Ų6534.5 Ų34.530%0.30419%0.187SC..G310 helixtrans-56.9-31.5-174.8-174.963.230.100114A500 F549 D550A500-Q547 HydrophobicContact CB-CB 4.22Å; Q547-F549 PolarHBondContact O-N 3.38Å; Q547-F549 VanDerWaalsContact O-N 3.15Å; Q547-D550 WeakPolarHBondContact O-CB 2.97Å; Q547-D550 PolarHBondContact O-N 3.33Å
548F87.3Confident87Confident49 Ų4935.3 Ų35.322%0.21519%0.191CC..G310 helixtrans-70-9.7-175.961.4-101.2000114.3I528 P546 D550 N557 L563 C566 F567 C570I528-F548 HydrophobicContact CD1-CE1 4.3Å; P546-F548 HydrophobicContact CB-CD1 3.75Å; P546-F548 HydrophobicContact CB-CE1 3.31Å; P546-F548 HydrophobicContact CB-CZ 3.76Å; P546-F548 HydrophobicContact CG-CE1 4.07Å; P546-F548 HydrophobicContact CG-CZ 4.16Å; P546-F548 PolarHBondContact O-N 3.4Å; P546-F548 VanDerWaalsContact O-N 3.11Å; F548-D550 VanDerWaalsContact C-N 3.32Å; F548-N557 WeakPolarHBondContact O-CB 3.47Å; F548-N557 PolarHBondContact O-ND2 3.05Å; F548-N557 VanDerWaalsContact O-ND2 3.08Å; F548-L563 HydrophobicContact CD2-CD1 3.5Å; F548-L563 VanDerWaalsContact CD2-CD1 3.5Å; F548-L563 HydrophobicContact CE2-CD1 3.87Å; F548-C566 HydrophobicContact CD2-CB 4.35Å; F548-F567 HydrophobicContact CZ-CD2 4.21Å; F548-C570 HydrophobicContact CE1-CB 4.45Å; F548-C570 WeakPolarHBondContact CE1-SG 3.42Å
549F88.3Confident87.4Confident5 Ų533 Ų332%0.02217%0.166CC..G310 helixtrans-80-9.9170.4-71-74.8000113.5P546 Q547 H551 L563 F567 L587 F588 P589P546-F549 HydrophobicContact CB-CD2 4.08Å; P546-F549 HydrophobicContact CB-CE2 4.31Å; P546-F549 HydrophobicContact CG-CD2 4.24Å; P546-F549 HydrophobicContact CG-CE2 4.12Å; P546-F549 PolarHBondContact O-N 2.96Å; Q547-F549 PolarHBondContact O-N 3.38Å; Q547-F549 VanDerWaalsContact O-N 3.15Å; F549-H551 PolarHBondContact O-N 3.39Å; F549-H551 VanDerWaalsContact O-N 3.17Å; F549-L563 HydrophobicContact CD1-CD1 4Å; F549-L563 HydrophobicContact CD1-CD2 4.1Å; F549-L563 HydrophobicContact CE1-CD1 3.96Å; F549-L563 HydrophobicContact CE1-CD2 3.89Å; F549-L563 HydrophobicContact CE1-CG 4.14Å; F549-F567 HydrophobicContact CZ-CD2 4.33Å; F549-L587 WeakPolarHBondContact CE2-O 3.36Å; F549-F588 HydrophobicContact CE1-CD1 4.19Å; F549-F588 HydrophobicContact CE1-CD2 4.13Å; F549-F588 HydrophobicContact CE1-CE1 4.09Å; F549-F588 HydrophobicContact CE1-CE2 4.01Å; F549-F588 HydrophobicContact CE1-CG 4.18Å; F549-F588 AromaticContact CE1-CZ 4Å; F549-F588 HydrophobicContact CE1-CZ 4Å; F549-F588 HydrophobicContact CZ-CB 4.26Å; F549-F588 HydrophobicContact CZ-CD1 4.28Å; F549-F588 AromaticContact CZ-CD2 3.64Å; F549-F588 HydrophobicContact CZ-CD2 3.64Å; F549-F588 AromaticContact CZ-CE2 3.9Å; F549-F588 HydrophobicContact CZ-CE2 3.9Å; F549-F588 AromaticContact CZ-CG 3.81Å; F549-F588 HydrophobicContact CZ-CG 3.81Å; F549-F588 HydrophobicContact CZ-CZ 4.33Å; F549-P589 HydrophobicContact CB-CG 4.26Å; F549-P589 HydrophobicContact CD1-CG 3.71Å; F549-P589 HydrophobicContact CD2-CG 4.27Å; F549-P589 HydrophobicContact CE1-CG 4.06Å; F549-P589 HydrophobicContact CG-CG 3.83Å; F549-P589 HydrophobicContact CZ-CG 4.48Å
550D79.3Confident87.7Confident47 Ų4725.7 Ų25.725%0.25113%0.127SC..  trans-76.8100.6176.5-169.6-9.6000111.3Q547 F548 H552 N557Q547-D550 WeakPolarHBondContact O-CB 2.97Å; Q547-D550 PolarHBondContact O-N 3.33Å; F548-D550 VanDerWaalsContact C-N 3.32Å; D550-H552 PolarHBondContact OD1-N 3.25Å; D550-N557 PolarHBondContact O-ND2 3.43Å; D550-N557 VanDerWaalsContact O-ND2 3.08Å
551H70.2Confident88Confident51 Ų5124.6 Ų24.624%0.23612%0.122CC..THydrogen-bonded Turntrans-86.2-14.9179.963.4100.4000114.1F549 A553 N557 R593F549-H551 PolarHBondContact O-N 3.39Å; F549-H551 VanDerWaalsContact O-N 3.17Å; H551-A553 PolarHBondContact O-N 3Å; H551-N557 WeakPolarHBondContact CA-ND2 3.46Å; H551-N557 WeakPolarHBondContact CA-OD1 3.32Å; H551-N557 VanDerWaalsContact CB-OD1 3.23Å; H551-N557 WeakPolarHBondContact CB-OD1 3.35Å; H551-N557 PolarHBondContact N-ND2 2.98Å; H551-N557 VanDerWaalsContact N-ND2 3.13Å; H551-R593 PolarHBondContact CD2-NH1 3.46Å; H551-R593 PolarHBondContact CD2-NH2 3.06Å; H551-R593 PolarHBondContact CE1-NH1 2.97Å; H551-R593 PolarHBondContact ND1-NH1 2.97Å; H551-R593 PolarHBondContact NE2-NH1 3Å; H551-R593 PolarHBondContact NE2-NH2 3.3Å; H551-R593 VanDerWaalsContact NE2-NH2 3.15Å
552H70.6Confident88Confident119 Ų11924.5 Ų24.555%0.55112%0.121SC*.THydrogen-bonded Turntrans-70.8-22.8-179.1-69.4-65.4000111D550D550-H552 PolarHBondContact OD1-N 3.25Å
553A71.7Confident87.8Confident19 Ų1924.6 Ų24.616%0.15712%0.121CC..THydrogen-bonded Turntrans-71.6-61.317300000112.4H551 K958 D961H551-A553 PolarHBondContact O-N 3Å; A553-K958 PolarHBondContact O-NZ 3.08Å; A553-D961 WeakPolarHBondContact CB-OD2 3.06Å
554F85.8Confident87.7Confident13 Ų1324.7 Ų24.76%0.05712%0.122CC..  trans-148.7148.7-166.9-154.4-106.9000113.5L556 N557 K958 R959 A960 I1015F554-L556 HydrophobicContact CD1-CB 4.18Å; F554-L556 HydrophobicContact CD1-CD1 3.73Å; F554-L556 HydrophobicContact CD1-CG 3.59Å; F554-L556 HydrophobicContact CE1-CD1 3.71Å; F554-L556 HydrophobicContact CE1-CG 3.62Å; F554-L556 PolarHBondContact O-N 3.1Å; F554-N557 PolarHBondContact O-OD1 2.97Å; F554-K958 HydrophobicContact CE2-CB 4.43Å; F554-R959 WeakPolarHBondContact CD2-O 3.34Å; F554-A960 HydrophobicContact CD1-CB 3.93Å; F554-A960 HydrophobicContact CD2-CB 4.1Å; F554-A960 HydrophobicContact CE1-CB 4.07Å; F554-A960 HydrophobicContact CE2-CB 4.22Å; F554-A960 HydrophobicContact CG-CB 3.95Å; F554-A960 HydrophobicContact CZ-CB 4.21Å; F554-I1015 HydrophobicContact CE2-CD1 3.63Å; F554-I1015 HydrophobicContact CZ-CD1 3.51Å; F554-I1015 HydrophobicContact CZ-CG1 4.02Å
555Y90.4Very high87.5Confident1 Ų126.5 Ų26.50%0.00413%0.131CC..G310 helixtrans-77.9-8.6-167.262.3-99000115.7N557 L558 Y937 W946 L949 R950 A953 I1015 E1019Y555-N557 PolarHBondContact O-N 3.03Å; Y555-L558 VanDerWaalsContact O-CB 3.28Å; Y555-L558 WeakPolarHBondContact O-CB 3.49Å; Y555-L558 VanDerWaalsContact O-CG 3.32Å; Y555-L558 WeakPolarHBondContact O-CG 3.38Å; Y555-L558 PolarHBondContact O-N 3.06Å; Y555-Y937 HydrophobicContact CD1-CE2 4.29Å; Y555-W946 HydrophobicContact CD2-CE3 4.34Å; Y555-W946 HydrophobicContact CD2-CZ3 4.19Å; Y555-L949 HydrophobicContact CD1-CB 4.43Å; Y555-L949 HydrophobicContact CD2-CB 4.45Å; Y555-L949 HydrophobicContact CG-CB 4.27Å; Y555-R950 HydrophobicContact CE2-CG 4.42Å; Y555-R950 WeakPolarHBondContact OH-CG 3.48Å; Y555-A953 HydrophobicContact CD1-CB 4.1Å; Y555-A953 HydrophobicContact CE1-CB 3.71Å; Y555-I1015 HydrophobicContact CE1-CD1 4.31Å; Y555-I1015 HydrophobicContact CE1-CG1 3.97Å; Y555-I1015 WeakPolarHBondContact OH-CG1 3.32Å; Y555-E1019 WeakPolarHBondContact CE2-OE1 3.31Å; Y555-E1019 PolarHBondContact OH-OE1 2.76Å
556L90.8Very high87.4Confident14 Ų1426.7 Ų26.77%0.07313%0.134CC..G310 helixtrans-57.8-34.8-172.9-76.2172.7000113.4F554 L558 D559 F562 E1019 I1022 Y1023 P1074F554-L556 HydrophobicContact CD1-CB 4.18Å; F554-L556 HydrophobicContact CD1-CD1 3.73Å; F554-L556 HydrophobicContact CD1-CG 3.59Å; F554-L556 HydrophobicContact CE1-CD1 3.71Å; F554-L556 HydrophobicContact CE1-CG 3.62Å; F554-L556 PolarHBondContact O-N 3.1Å; L556-L558 PolarHBondContact O-N 2.74Å; L556-D559 PolarHBondContact O-N 3.08Å; L556-F562 HydrophobicContact CB-CD1 4.21Å; L556-F562 HydrophobicContact CB-CE1 3.93Å; L556-F562 HydrophobicContact CD1-CE1 4.48Å; L556-E1019 HydrophobicContact CD2-CG 4.03Å; L556-I1022 HydrophobicContact CD1-CD1 3.8Å; L556-Y1023 HydrophobicContact CD2-CE1 4.43Å; L556-Y1023 VanDerWaalsContact CD2-OH 3.3Å; L556-Y1023 WeakPolarHBondContact CD2-OH 3.39Å; L556-P1074 HydrophobicContact CD2-CB 3.76Å; L556-P1074 HydrophobicContact CD2-CG 3.83Å
557N86.5Confident87.4Confident11 Ų1126.6 Ų26.66%0.05913%0.133CC..G310 helixtrans-79.2-0.8-17963.17.7000114.6F548 D550 H551 F554 Y555 D559 L563F548-N557 WeakPolarHBondContact O-CB 3.47Å; F548-N557 PolarHBondContact O-ND2 3.05Å; F548-N557 VanDerWaalsContact O-ND2 3.08Å; D550-N557 PolarHBondContact O-ND2 3.43Å; D550-N557 VanDerWaalsContact O-ND2 3.08Å; H551-N557 WeakPolarHBondContact CA-ND2 3.46Å; H551-N557 WeakPolarHBondContact CA-OD1 3.32Å; H551-N557 VanDerWaalsContact CB-OD1 3.23Å; H551-N557 WeakPolarHBondContact CB-OD1 3.35Å; H551-N557 PolarHBondContact N-ND2 2.98Å; H551-N557 VanDerWaalsContact N-ND2 3.13Å; F554-N557 PolarHBondContact O-OD1 2.97Å; Y555-N557 PolarHBondContact O-N 3.03Å; N557-D559 PolarHBondContact O-N 2.96Å; N557-L563 HydrophobicContact CB-CD1 4.19Å
558L89.2Confident87.6Confident35 Ų3526.4 Ų26.418%0.18313%0.129CC..G310 helixtrans-68.8-23.9167.2-60.9177.9000111.4Y555 L556 I560 T941 W946 L949Y555-L558 VanDerWaalsContact O-CB 3.28Å; Y555-L558 WeakPolarHBondContact O-CB 3.49Å; Y555-L558 VanDerWaalsContact O-CG 3.32Å; Y555-L558 WeakPolarHBondContact O-CG 3.38Å; Y555-L558 PolarHBondContact O-N 3.06Å; L556-L558 PolarHBondContact O-N 2.74Å; L558-I560 PolarHBondContact O-N 2.85Å; L558-T941 HydrophobicContact CD1-CG2 3.88Å; L558-W946 HydrophobicContact CB-CH2 3.89Å; L558-W946 HydrophobicContact CB-CZ3 4.26Å; L558-L949 HydrophobicContact CD1-CD1 4.12Å
559D92.2Very high87.7Confident2 Ų224.6 Ų24.61%0.01112%0.122CC..SBendtrans-83.2103.8173.5-175.8-9.9000109.9L556 N557 E561 F562 L563 W946 R1073 P1074 I1075L556-D559 PolarHBondContact O-N 3.08Å; N557-D559 PolarHBondContact O-N 2.96Å; D559-E561 VanDerWaalsContact C-N 3.25Å; D559-E561 PolarHBondContact O-N 2.64Å; D559-E561 PolarHBondContact OD1-N 3.21Å; D559-F562 HydrophobicContact CB-CB 3.85Å; D559-F562 WeakPolarHBondContact O-CB 3.15Å; D559-F562 PolarHBondContact O-N 3.38Å; D559-F562 VanDerWaalsContact O-N 3.12Å; D559-F562 PolarHBondContact OD1-N 2.81Å; D559-L563 PolarHBondContact O-N 3.33Å; D559-W946 HydrophobicContact CB-CH2 3.74Å; D559-W946 HydrophobicContact CB-CZ2 4.06Å; D559-R1073 IonicContact OD1-CZ 2.61Å; D559-R1073 IonicContact OD1-NE 3.02Å; D559-R1073 IonicContact OD1-NH2 3.75Å; D559-R1073 PolarHBondContact OD1-NH2 3.47Å; D559-R1073 WeakPolarHBondContact OD2-CB 3.31Å; D559-R1073 IonicContact OD2-NE 3.19Å; D559-R1073 IonicContact OD2-NH2 2.91Å; D559-P1074 HydrophobicContact CB-CB 4.22Å; D559-P1074 HydrophobicContact CB-CG 4.03Å; D559-P1074 WeakPolarHBondContact OD2-CD 3.31Å; D559-I1075 WeakPolarHBondContact OD2-CB 3.43Å; D559-I1075 VanDerWaalsContact OD2-CG2 3.23Å; D559-I1075 WeakPolarHBondContact OD2-CG2 3.4Å; D559-I1075 PolarHBondContact OD2-N 3.15Å
560I91.4Very high87.9Confident19 Ų1925 Ų2510%0.09713%0.125CC..Hα-helixtrans-59-33.7-178.3-172.456.3000112.9L558 L563 L564 F588 Y594 L606L558-I560 PolarHBondContact O-N 2.85Å; I560-L563 HydrophobicContact CD1-CD2 4.18Å; I560-L563 PolarHBondContact O-N 3.08Å; I560-L564 HydrophobicContact CD1-CD1 4.37Å; I560-L564 HydrophobicContact CD1-CG 4.15Å; I560-L564 HydrophobicContact CG1-CD1 4.01Å; I560-L564 HydrophobicContact CG1-CG 4.3Å; I560-L564 WeakPolarHBondContact O-CB 3.46Å; I560-L564 WeakPolarHBondContact O-CD1 3.44Å; I560-L564 WeakPolarHBondContact O-CG 3.3Å; I560-L564 PolarHBondContact O-N 3.28Å; I560-F588 HydrophobicContact CD1-CZ 4.49Å; I560-Y594 HydrophobicContact CD1-CD1 4.03Å; I560-Y594 HydrophobicContact CD1-CD2 4.33Å; I560-Y594 HydrophobicContact CD1-CE1 4.27Å; I560-Y594 HydrophobicContact CD1-CG 4.08Å; I560-L606 HydrophobicContact CG1-CB 4.39Å
561E94.5Very high88.6Confident38 Ų3822.7 Ų22.718%0.17811%0.113CC..Hα-helixtrans-70.8-38.6178.1-77.7-179.6-112.800111.6D559 D565 P605 R1073 I1075 R1079D559-E561 VanDerWaalsContact C-N 3.25Å; D559-E561 PolarHBondContact O-N 2.64Å; D559-E561 PolarHBondContact OD1-N 3.21Å; E561-D565 WeakPolarHBondContact O-CB 3.46Å; E561-D565 PolarHBondContact O-N 2.85Å; E561-P605 HydrophobicContact CG-CB 3.67Å; E561-P605 HydrophobicContact CG-CG 3.69Å; E561-R1073 IonicContact OE1-CZ 2.98Å; E561-R1073 VanDerWaalsContact OE1-CZ 3.26Å; E561-R1073 IonicContact OE1-NH1 3.15Å; E561-R1073 PolarHBondContact OE1-NH1 3.27Å; E561-R1073 IonicContact OE1-NH2 3.22Å; E561-R1073 PolarHBondContact OE1-NH2 2.63Å; E561-I1075 HydrophobicContact CB-CB 4.11Å; E561-I1075 HydrophobicContact CB-CG1 3.99Å; E561-I1075 HydrophobicContact CB-CG2 4.01Å; E561-R1079 IonicContact OE2-CZ 3.69Å; E561-R1079 IonicContact OE2-NH1 2.77Å; E561-R1079 PolarHBondContact OE2-NH1 3.29Å; E561-R1079 IonicContact OE2-NH2 2.64Å; E561-R1079 PolarHBondContact OE2-NH2 3.27Å
562F93.4Very high89.5Confident10 Ų1021.1 Ų21.14%0.04411%0.11CC..Hα-helixtrans-64.2-46.4173.6-177.4-98.9000110.9L556 D559 L564 D565 C566 Y1023 M1026 P1074 I1075 K1078L556-F562 HydrophobicContact CB-CD1 4.21Å; L556-F562 HydrophobicContact CB-CE1 3.93Å; L556-F562 HydrophobicContact CD1-CE1 4.48Å; D559-F562 HydrophobicContact CB-CB 3.85Å; D559-F562 WeakPolarHBondContact O-CB 3.15Å; D559-F562 PolarHBondContact O-N 3.38Å; D559-F562 VanDerWaalsContact O-N 3.12Å; D559-F562 PolarHBondContact OD1-N 2.81Å; F562-L564 PolarHBondContact O-N 2.99Å; F562-D565 WeakPolarHBondContact O-CA 3.23Å; F562-D565 WeakPolarHBondContact O-CB 3.27Å; F562-D565 PolarHBondContact O-N 2.68Å; F562-D565 VanDerWaalsContact O-N 3.09Å; F562-C566 WeakPolarHBondContact CE1-SG 3.28Å; F562-C566 PolarHBondContact O-N 3.2Å; F562-C566 PolarHBondContact O-SG 3.48Å; F562-C566 VanDerWaalsContact O-SG 3.39Å; F562-Y1023 HydrophobicContact CD2-CE1 4.12Å; F562-Y1023 AromaticContact CE2-CD1 3.68Å; F562-Y1023 HydrophobicContact CE2-CD1 3.68Å; F562-Y1023 AromaticContact CE2-CE1 3.26Å; F562-Y1023 HydrophobicContact CE2-CE1 3.26Å; F562-Y1023 HydrophobicContact CZ-CD1 4.11Å; F562-Y1023 AromaticContact CZ-CE1 3.64Å; F562-Y1023 HydrophobicContact CZ-CE1 3.64Å; F562-M1026 HydrophobicContact CE2-CE 4.26Å; F562-M1026 HydrophobicContact CE2-SD 3.84Å; F562-M1026 HydrophobicContact CZ-CE 4.38Å; F562-M1026 HydrophobicContact CZ-SD 3.8Å; F562-P1074 HydrophobicContact CB-CB 4.25Å; F562-P1074 HydrophobicContact CD2-CB 4.29Å; F562-P1074 HydrophobicContact CG-CB 4.17Å; F562-I1075 HydrophobicContact CB-CB 4.35Å; F562-K1078 HydrophobicContact CE2-CD 4.28Å
563L93.1Very high90.3Very high1 Ų116.9 Ų16.91%0.0059%0.09CC..Hα-helixtrans-58.8-45.3176.5-178.563.9000112.4F548 F549 N557 D559 I560 D565 C566 F567 F588 Y594F548-L563 HydrophobicContact CD2-CD1 3.5Å; F548-L563 VanDerWaalsContact CD2-CD1 3.5Å; F548-L563 HydrophobicContact CE2-CD1 3.87Å; F549-L563 HydrophobicContact CD1-CD1 4Å; F549-L563 HydrophobicContact CD1-CD2 4.1Å; F549-L563 HydrophobicContact CE1-CD1 3.96Å; F549-L563 HydrophobicContact CE1-CD2 3.89Å; F549-L563 HydrophobicContact CE1-CG 4.14Å; N557-L563 HydrophobicContact CB-CD1 4.19Å; D559-L563 PolarHBondContact O-N 3.33Å; I560-L563 HydrophobicContact CD1-CD2 4.18Å; I560-L563 PolarHBondContact O-N 3.08Å; L563-D565 VanDerWaalsContact C-N 3.26Å; L563-D565 PolarHBondContact O-N 3.12Å; L563-C566 WeakPolarHBondContact O-CB 3.46Å; L563-C566 PolarHBondContact O-N 3.4Å; L563-F567 WeakPolarHBondContact O-CB 3.29Å; L563-F567 PolarHBondContact O-N 2.69Å; L563-F588 HydrophobicContact CD2-CZ 4.29Å; L563-Y594 HydrophobicContact CD2-CE1 3.93Å; L563-Y594 HydrophobicContact CD2-CE2 4.42Å; L563-Y594 WeakPolarHBondContact CD2-OH 3.46Å
564L94.4Very high91.3Very high3 Ų316 Ų162%0.0168%0.082CC..Hα-helixtrans-65.1-30.9176.3-71.5169.9000112.4I560 F562 R568 F588 P605 L606 A609I560-L564 HydrophobicContact CD1-CD1 4.37Å; I560-L564 HydrophobicContact CD1-CG 4.15Å; I560-L564 HydrophobicContact CG1-CD1 4.01Å; I560-L564 HydrophobicContact CG1-CG 4.3Å; I560-L564 WeakPolarHBondContact O-CB 3.46Å; I560-L564 WeakPolarHBondContact O-CD1 3.44Å; I560-L564 WeakPolarHBondContact O-CG 3.3Å; I560-L564 PolarHBondContact O-N 3.28Å; F562-L564 PolarHBondContact O-N 2.99Å; L564-R568 VanDerWaalsContact O-CG 3.22Å; L564-R568 WeakPolarHBondContact O-CG 3.32Å; L564-R568 PolarHBondContact O-N 3.29Å; L564-R568 PolarHBondContact O-NH1 2.66Å; L564-F588 HydrophobicContact CD2-CE2 3.72Å; L564-F588 HydrophobicContact CD2-CZ 3.83Å; L564-P605 HydrophobicContact CD1-CB 4Å; L564-P605 WeakPolarHBondContact CD1-O 3.5Å; L564-L606 HydrophobicContact CD2-CD1 4.27Å; L564-A609 HydrophobicContact CD1-CB 3.98Å; L564-A609 HydrophobicContact CD2-CB 3.57Å; L564-A609 HydrophobicContact CG-CB 4.33Å
565D92.2Very high91.5Very high37 Ų3718 Ų1820%0.1989%0.091CC..Hα-helixtrans-72.6-40.1174-178.583.7000112.2E561 F562 L563 F567 R568 T569 M1026 I1075 K1078E561-D565 WeakPolarHBondContact O-CB 3.46Å; E561-D565 PolarHBondContact O-N 2.85Å; F562-D565 WeakPolarHBondContact O-CA 3.23Å; F562-D565 WeakPolarHBondContact O-CB 3.27Å; F562-D565 PolarHBondContact O-N 2.68Å; F562-D565 VanDerWaalsContact O-N 3.09Å; L563-D565 VanDerWaalsContact C-N 3.26Å; L563-D565 PolarHBondContact O-N 3.12Å; D565-F567 VanDerWaalsContact C-N 3.32Å; D565-F567 PolarHBondContact O-N 2.96Å; D565-R568 PolarHBondContact O-N 2.94Å; D565-T569 WeakPolarHBondContact O-CB 3.5Å; D565-T569 PolarHBondContact O-N 3.08Å; D565-T569 PolarHBondContact O-OG1 2.88Å; D565-M1026 WeakPolarHBondContact OD2-CE 3.44Å; D565-I1075 HydrophobicContact CB-CD1 4.3Å; D565-K1078 IonicContact OD1-NZ 3.92Å; D565-K1078 IonicContact OD2-NZ 2.86Å; D565-K1078 PolarHBondContact OD2-NZ 3.08Å
566C92.4Very high91.2Very high18 Ų1823.8 Ų23.812%0.12212%0.118CC..Hα-helixtrans-57.1-45.6167.7-66.40000111.3F548 F562 L563 T569 C570F548-C566 HydrophobicContact CD2-CB 4.35Å; F562-C566 WeakPolarHBondContact CE1-SG 3.28Å; F562-C566 PolarHBondContact O-N 3.2Å; F562-C566 PolarHBondContact O-SG 3.48Å; F562-C566 VanDerWaalsContact O-SG 3.39Å; L563-C566 WeakPolarHBondContact O-CB 3.46Å; L563-C566 PolarHBondContact O-N 3.4Å; C566-T569 WeakPolarHBondContact O-CB 3.35Å; C566-T569 PolarHBondContact O-N 2.89Å; C566-C570 PolarHBondContact O-N 3.37Å; C566-C570 PolarHBondContact O-SG 2.85Å
567F93.9Very high91.1Very high2 Ų223.4 Ų23.41%0.00912%0.117CC..Hα-helixtrans-61.6-46.7178.2-173.9-101.9000112.5V463 F548 F549 L563 D565 T569 C570 I571 L586 F588 I613 M618V463-F567 HydrophobicContact CG1-CE1 4.42Å; V463-F567 HydrophobicContact CG1-CZ 3.8Å; V463-F567 HydrophobicContact CG2-CE1 4.5Å; V463-F567 HydrophobicContact CG2-CZ 4.02Å; F548-F567 HydrophobicContact CZ-CD2 4.21Å; F549-F567 HydrophobicContact CZ-CD2 4.33Å; L563-F567 WeakPolarHBondContact O-CB 3.29Å; L563-F567 PolarHBondContact O-N 2.69Å; D565-F567 VanDerWaalsContact C-N 3.32Å; D565-F567 PolarHBondContact O-N 2.96Å; F567-T569 VanDerWaalsContact C-N 3.29Å; F567-T569 PolarHBondContact O-N 2.95Å; F567-C570 WeakPolarHBondContact O-CB 3.34Å; F567-C570 PolarHBondContact O-N 2.66Å; F567-C570 VanDerWaalsContact O-N 3.16Å; F567-I571 HydrophobicContact CD1-CD1 3.77Å; F567-I571 HydrophobicContact CE1-CD1 3.39Å; F567-I571 HydrophobicContact CE1-CG1 4.31Å; F567-I571 HydrophobicContact CZ-CD1 4.05Å; F567-I571 PolarHBondContact O-N 3.27Å; F567-L586 HydrophobicContact CD2-CD2 3.83Å; F567-L586 HydrophobicContact CD2-CG 4.28Å; F567-L586 HydrophobicContact CE1-CD2 4.42Å; F567-L586 HydrophobicContact CE2-CD1 4.43Å; F567-L586 HydrophobicContact CE2-CD2 3.32Å; F567-L586 HydrophobicContact CE2-CG 3.53Å; F567-L586 HydrophobicContact CZ-CD2 3.65Å; F567-L586 HydrophobicContact CZ-CG 4.07Å; F567-F588 HydrophobicContact CB-CD2 4.39Å; F567-F588 HydrophobicContact CB-CE2 4.21Å; F567-F588 HydrophobicContact CD1-CD2 4.06Å; F567-F588 HydrophobicContact CD1-CE2 4.43Å; F567-F588 AromaticContact CD2-CD2 3.5Å; F567-F588 HydrophobicContact CD2-CD2 3.5Å; F567-F588 HydrophobicContact CD2-CE2 4.14Å; F567-F588 HydrophobicContact CD2-CG 4.5Å; F567-F588 HydrophobicContact CE1-CD2 4.16Å; F567-F588 HydrophobicContact CE2-CB 3.9Å; F567-F588 AromaticContact CE2-CD2 3.59Å; F567-F588 HydrophobicContact CE2-CD2 3.59Å; F567-F588 HydrophobicContact CE2-CG 4.25Å; F567-F588 AromaticContact CG-CD2 3.73Å; F567-F588 HydrophobicContact CG-CD2 3.73Å; F567-F588 HydrophobicContact CG-CE2 4.02Å; F567-F588 HydrophobicContact CZ-CB 4.15Å; F567-F588 AromaticContact CZ-CD2 3.94Å; F567-F588 HydrophobicContact CZ-CD2 3.94Å; F567-I613 HydrophobicContact CE1-CD1 3.94Å; F567-M618 HydrophobicContact CD1-SD 4.23Å; F567-M618 HydrophobicContact CE1-SD 4.38Å
568R92.6Very high91.3Very high60 Ų6023.5 Ų23.523%0.22612%0.117CC..Hα-helixtrans-58.7-40.8174.2-75.3169.7-163.3119.51.6112.4L564 D565 C570 I571 G572 M618 N619L564-R568 VanDerWaalsContact O-CG 3.22Å; L564-R568 WeakPolarHBondContact O-CG 3.32Å; L564-R568 PolarHBondContact O-N 3.29Å; L564-R568 PolarHBondContact O-NH1 2.66Å; D565-R568 PolarHBondContact O-N 2.94Å; R568-C570 VanDerWaalsContact C-N 3.35Å; R568-I571 PolarHBondContact O-N 3.11Å; R568-G572 PolarHBondContact O-N 2.95Å; R568-G572 VanDerWaalsContact O-N 3.15Å; R568-M618 HydrophobicContact CB-SD 4.47Å; R568-M618 HydrophobicContact CG-CG 3.83Å; R568-M618 HydrophobicContact CG-SD 3.49Å; R568-M618 WeakPolarHBondContact CG-SD 3.48Å; R568-N619 PolarHBondContact O-ND2 2.8Å
569T89.4Confident91.1Very high12 Ų1225.9 Ų25.97%0.07413%0.133CC..Hα-helixtrans-63.7-42.6176.8-60.80000110.6D565 C566 F567 G572 Y573 T1030D565-T569 WeakPolarHBondContact O-CB 3.5Å; D565-T569 PolarHBondContact O-N 3.08Å; D565-T569 PolarHBondContact O-OG1 2.88Å; C566-T569 WeakPolarHBondContact O-CB 3.35Å; C566-T569 PolarHBondContact O-N 2.89Å; F567-T569 VanDerWaalsContact C-N 3.29Å; F567-T569 PolarHBondContact O-N 2.95Å; T569-G572 PolarHBondContact O-N 3.23Å; T569-Y573 WeakPolarHBondContact O-CB 3.33Å; T569-Y573 PolarHBondContact O-N 3.43Å; T569-T1030 HydrophobicContact CG2-CG2 3.44Å; T569-T1030 VanDerWaalsContact CG2-CG2 3.44Å
570C91.6Very high90.9Very high12 Ų1226.4 Ų26.48%0.08114%0.136CC..Hα-helixtrans-63.9-40.8176.9-66.30000112.5I528 F548 C566 F567 R568 G572 Y573 L574 L586I528-C570 HydrophobicContact CD1-CB 4.25Å; I528-C570 HydrophobicContact CG1-CB 4.11Å; F548-C570 HydrophobicContact CE1-CB 4.45Å; F548-C570 WeakPolarHBondContact CE1-SG 3.42Å; C566-C570 PolarHBondContact O-N 3.37Å; C566-C570 PolarHBondContact O-SG 2.85Å; F567-C570 WeakPolarHBondContact O-CB 3.34Å; F567-C570 PolarHBondContact O-N 2.66Å; F567-C570 VanDerWaalsContact O-N 3.16Å; R568-C570 VanDerWaalsContact C-N 3.35Å; C570-G572 PolarHBondContact O-N 2.85Å; C570-Y573 PolarHBondContact O-N 3.09Å; C570-L574 WeakPolarHBondContact O-CB 3.49Å; C570-L574 WeakPolarHBondContact O-CG 3.45Å; C570-L574 PolarHBondContact O-N 3.5Å; C570-L586 HydrophobicContact CB-CD2 4.5Å
571I93.8Very high90.7Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-59.1-48.7174.7-72.9169.8000111.2V461 V463 F567 R568 Y573 L574 K575 L586 M618 T621 V623V461-I571 HydrophobicContact CB-CG2 4.46Å; V461-I571 HydrophobicContact CG1-CG1 4.4Å; V461-I571 HydrophobicContact CG2-CG2 4.21Å; V463-I571 HydrophobicContact CG2-CD1 4.31Å; F567-I571 HydrophobicContact CD1-CD1 3.77Å; F567-I571 HydrophobicContact CE1-CD1 3.39Å; F567-I571 HydrophobicContact CE1-CG1 4.31Å; F567-I571 HydrophobicContact CZ-CD1 4.05Å; F567-I571 PolarHBondContact O-N 3.27Å; R568-I571 PolarHBondContact O-N 3.11Å; I571-Y573 VanDerWaalsContact C-N 3.29Å; I571-Y573 PolarHBondContact O-N 3.01Å; I571-L574 PolarHBondContact O-N 3.47Å; I571-K575 PolarHBondContact O-N 3.43Å; I571-L586 HydrophobicContact CD1-CD2 4.35Å; I571-L586 HydrophobicContact CG1-CD2 3.6Å; I571-M618 HydrophobicContact CD1-CB 4.34Å; I571-M618 HydrophobicContact CD1-CG 4.21Å; I571-M618 HydrophobicContact CD1-SD 3.53Å; I571-M618 VanDerWaalsContact CD1-SD 3.53Å; I571-T621 HydrophobicContact CG2-CG2 3.62Å; I571-V623 HydrophobicContact CD1-CG2 4.26Å; I571-V623 HydrophobicContact CG2-CG2 3.94Å
572G89.2Confident90.5Very high17 Ų1730.2 Ų30.218%0.17517%0.173CC..Hα-helixtrans-62.2-39.717800000112.1R568 T569 C570 K575 H576R568-G572 PolarHBondContact O-N 2.95Å; R568-G572 VanDerWaalsContact O-N 3.15Å; T569-G572 PolarHBondContact O-N 3.23Å; C570-G572 PolarHBondContact O-N 2.85Å; G572-K575 PolarHBondContact O-N 2.92Å; G572-H576 PolarHBondContact O-N 3.04Å; G572-H576 VanDerWaalsContact O-N 3.11Å
573Y88.4Confident90.6Very high30 Ų3034.2 Ų34.212%0.11819%0.188CC..Hα-helixtrans-67.1-44.2178.7-171-122.5000112.4E231 I528 F529 T569 C570 I571 K575 H576 A577E231-Y573 HydrophobicContact CG-CE2 4.11Å; E231-Y573 WeakPolarHBondContact CG-OH 3.46Å; I528-Y573 HydrophobicContact CG2-CD1 3.7Å; I528-Y573 HydrophobicContact CG2-CE1 3.88Å; F529-Y573 HydrophobicContact CD2-CE1 4.22Å; F529-Y573 AromaticContact CE2-CD1 3.96Å; F529-Y573 HydrophobicContact CE2-CD1 3.96Å; F529-Y573 AromaticContact CE2-CE1 3.23Å; F529-Y573 HydrophobicContact CE2-CE1 3.23Å; F529-Y573 AromaticContact CE2-CZ 3.67Å; F529-Y573 AromaticContact CZ-CD1 3.92Å; F529-Y573 HydrophobicContact CZ-CD1 3.92Å; F529-Y573 AromaticContact CZ-CE1 3.61Å; F529-Y573 HydrophobicContact CZ-CE1 3.61Å; F529-Y573 AromaticContact CZ-CZ 3.99Å; T569-Y573 WeakPolarHBondContact O-CB 3.33Å; T569-Y573 PolarHBondContact O-N 3.43Å; C570-Y573 PolarHBondContact O-N 3.09Å; I571-Y573 VanDerWaalsContact C-N 3.29Å; I571-Y573 PolarHBondContact O-N 3.01Å; Y573-K575 PolarHBondContact O-N 3.14Å; Y573-H576 PolarHBondContact O-N 3.19Å; Y573-A577 HydrophobicContact CE2-CB 4.46Å; Y573-A577 PolarHBondContact O-N 3.15Å
574L92.3Very high90.8Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-60.5-43.8173.8-72.5166.5000111.3V461 I528 F529 C570 I571 H576 W578 P584 L586V461-L574 HydrophobicContact CG1-CD1 4.2Å; V461-L574 HydrophobicContact CG2-CB 4.18Å; I528-L574 HydrophobicContact CG1-CD1 4.32Å; I528-L574 HydrophobicContact CG1-CD2 4.37Å; I528-L574 HydrophobicContact CG1-CG 4.36Å; F529-L574 HydrophobicContact CD1-CD2 3.96Å; F529-L574 HydrophobicContact CE1-CD2 4.04Å; C570-L574 WeakPolarHBondContact O-CB 3.49Å; C570-L574 WeakPolarHBondContact O-CG 3.45Å; C570-L574 PolarHBondContact O-N 3.5Å; I571-L574 PolarHBondContact O-N 3.47Å; L574-H576 VanDerWaalsContact C-N 3.3Å; L574-H576 PolarHBondContact O-N 3.43Å; L574-W578 HydrophobicContact CD2-CE3 3.74Å; L574-W578 HydrophobicContact CD2-CZ3 4.04Å; L574-W578 WeakPolarHBondContact O-CB 3.35Å; L574-W578 PolarHBondContact O-N 3.11Å; L574-P584 HydrophobicContact CB-CB 4.35Å; L574-P584 HydrophobicContact CB-CG 4.31Å; L574-P584 HydrophobicContact CD1-CB 4.3Å; L574-P584 HydrophobicContact CD2-CB 4.11Å; L574-P584 HydrophobicContact CG-CB 4.49Å; L574-L586 HydrophobicContact CD1-CB 4.42Å; L574-L586 HydrophobicContact CD1-CD1 4.31Å; L574-L586 HydrophobicContact CD1-CD2 4.28Å
575K90.1Very high90.9Very high57 Ų5734 Ų3425%0.24819%0.187CC..Hα-helixtrans-58.5-41.6175.8172.858175.5174.60112.8D458 L459 I571 G572 Y573 T621D458-K575 IonicContact OD1-NZ 3.54Å; D458-K575 PolarHBondContact OD1-NZ 3.34Å; L459-K575 HydrophobicContact CB-CD 4.01Å; L459-K575 WeakPolarHBondContact O-CD 3.34Å; L459-K575 PolarHBondContact O-NZ 3.46Å; L459-K575 VanDerWaalsContact O-NZ 3.09Å; I571-K575 PolarHBondContact O-N 3.43Å; G572-K575 PolarHBondContact O-N 2.92Å; Y573-K575 PolarHBondContact O-N 3.14Å; K575-T621 HydrophobicContact CB-CG2 3.52Å; K575-T621 HydrophobicContact CD-CG2 4.3Å; K575-T621 HydrophobicContact CG-CG2 3.86Å
576H84.3Confident91.2Very high122 Ų12232.3 Ų32.357%0.56518%0.178SC*.Hα-helixtrans-75.4-42.4-175.3-172.867.5000112.9G572 Y573 L574G572-H576 PolarHBondContact O-N 3.04Å; G572-H576 VanDerWaalsContact O-N 3.11Å; Y573-H576 PolarHBondContact O-N 3.19Å; L574-H576 VanDerWaalsContact C-N 3.3Å; L574-H576 PolarHBondContact O-N 3.43Å
577A88Confident91.4Very high6 Ų631.5 Ų31.55%0.0517%0.172CC..Hα-helixtrans-114.7-2-164.400000114.9E231 F529 Y573 T579E231-A577 HydrophobicContact CG-CB 3.87Å; F529-A577 HydrophobicContact CE1-CB 4.09Å; F529-A577 HydrophobicContact CE2-CB 4.5Å; F529-A577 HydrophobicContact CZ-CB 3.52Å; Y573-A577 HydrophobicContact CE2-CB 4.46Å; Y573-A577 PolarHBondContact O-N 3.15Å; A577-T579 PolarHBondContact O-N 3.2Å
578W90.9Very high91.5Very high13 Ų1331.5 Ų31.55%0.04917%0.172CC..  trans-64.8128176-172.8-96000112.2L459 F529 S532 Q533 L574 S580 G582 P584 C636L459-W578 HydrophobicContact CD2-CB 3.48Å; L459-W578 VanDerWaalsContact CD2-CB 3.48Å; L459-W578 HydrophobicContact CD2-CG 3.78Å; F529-W578 AromaticContact CD1-CE3 3.69Å; F529-W578 HydrophobicContact CD1-CE3 3.69Å; F529-W578 HydrophobicContact CD1-CZ3 4.12Å; F529-W578 HydrophobicContact CE1-CE3 4.26Å; S532-W578 VanDerWaalsContact O-CH2 3.23Å; S532-W578 WeakPolarHBondContact O-CH2 3.25Å; Q533-W578 HydrophobicContact CB-CH2 4.25Å; L574-W578 HydrophobicContact CD2-CE3 3.74Å; L574-W578 HydrophobicContact CD2-CZ3 4.04Å; L574-W578 WeakPolarHBondContact O-CB 3.35Å; L574-W578 PolarHBondContact O-N 3.11Å; W578-S580 PolarHBondContact NE1-O 3.05Å; W578-G582 PolarHBondContact NE1-O 3.27Å; W578-P584 HydrophobicContact CD2-CB 3.7Å; W578-P584 HydrophobicContact CD2-CG 4.11Å; W578-P584 HydrophobicContact CE3-CB 3.64Å; W578-P584 HydrophobicContact CE3-CG 4.42Å; W578-P584 HydrophobicContact CG-CB 4.34Å; W578-P584 HydrophobicContact CG-CG 4.23Å; W578-P584 HydrophobicContact CH2-CB 4.02Å; W578-P584 HydrophobicContact CZ2-CB 4.04Å; W578-P584 HydrophobicContact CZ3-CB 3.83Å; W578-C636 HydrophobicContact CH2-CB 4.32Å; W578-C636 HydrophobicContact CZ2-CB 3.78Å
579T85.1Confident91.7Very high85 Ų8528.7 Ų28.752%0.52116%0.162SC..  trans-126.5-7.7179.950.50000113.2A577A577-T579 PolarHBondContact O-N 3.2Å
580S87.9Confident91.8Very high12 Ų1228.1 Ų28.18%0.08416%0.158CC..SBendtrans-72.9152.6-179.7-74.70000112.6L227 W578 R638L227-S580 WeakPolarHBondContact CD1-OG 3.45Å; W578-S580 PolarHBondContact NE1-O 3.05Å; S580-R638 PolarHBondContact OG-NH2 3.43Å
581P87Confident91.7Very high96 Ų9629.2 Ų29.262%0.62316%0.161SC*.SBendtrans-63.3142.5173.128.1-34.7000110.7C636P581-C636 WeakPolarHBondContact O-CA 3.42Å; P581-C636 WeakPolarHBondContact O-CB 3.03Å
582G91.3Very high91.4Very high42 Ų4234.2 Ų34.243%0.43318%0.18SC..SBendtrans81.2177.7-174.900000113.3W578 T634W578-G582 PolarHBondContact NE1-O 3.27Å; G582-T634 WeakPolarHBondContact CA-O 3.48Å
583R94.6Very high91.1Very high93 Ų9336.9 Ų36.935%0.35119%0.185SC..BIsolated β-bridgetrans-87.8148.1-178.4-68173.9-179.9169.53.5111L459 S460 Q462 I624 T634 S635 C636L459-R583 HydrophobicContact CD1-CG 4.38Å; S460-R583 PolarHBondContact OG-NE 3.33Å; Q462-R583 HydrophobicContact CG-CB 3.98Å; Q462-R583 VanDerWaalsContact OE1-CB 3.28Å; R583-I624 VanDerWaalsContact NH1-CD1 3.28Å; R583-T634 PolarHBondContact N-O 3.11Å; R583-S635 WeakPolarHBondContact O-CA 3.42Å; R583-C636 PolarHBondContact O-N 3Å
584P96.7Very high91Very high0 Ų036 Ų360%018%0.181CC..PPolyproline II helixtrans-72.1134.1174.126.4-31.6000110.7L459 V461 Q462 L574 W578L459-P584 HydrophobicContact CD2-CG 3.97Å; L459-P584 HydrophobicContact CG-CG 4.36Å; V461-P584 HydrophobicContact CB-CG 4.36Å; V461-P584 HydrophobicContact CG1-CG 4.31Å; V461-P584 HydrophobicContact CG2-CG 4Å; Q462-P584 WeakPolarHBondContact CB-O 3.37Å; Q462-P584 PolarHBondContact N-O 3.1Å; L574-P584 HydrophobicContact CB-CB 4.35Å; L574-P584 HydrophobicContact CB-CG 4.31Å; L574-P584 HydrophobicContact CD1-CB 4.3Å; L574-P584 HydrophobicContact CD2-CB 4.11Å; L574-P584 HydrophobicContact CG-CB 4.49Å; W578-P584 HydrophobicContact CD2-CB 3.7Å; W578-P584 HydrophobicContact CD2-CG 4.11Å; W578-P584 HydrophobicContact CE3-CB 3.64Å; W578-P584 HydrophobicContact CE3-CG 4.42Å; W578-P584 HydrophobicContact CG-CB 4.34Å; W578-P584 HydrophobicContact CG-CG 4.23Å; W578-P584 HydrophobicContact CH2-CB 4.02Å; W578-P584 HydrophobicContact CZ2-CB 4.04Å; W578-P584 HydrophobicContact CZ3-CB 3.83Å
585L97.6Very high90.6Very high0 Ų036.7 Ų36.70%018%0.184CC..EExtended strand (participates in β ladder)trans-97.4133.5174.9173.566.7000110.1Q462 V464 S532 F534 A543 L587 L628 F631Q462-L585 HydrophobicContact CB-CD1 4.49Å; Q462-L585 CarbonylContact O-C 3.57Å; V464-L585 HydrophobicContact CG2-CD1 3.74Å; S532-L585 CarbonylContact C-O 3.52Å; S532-L585 WeakPolarHBondContact CA-O 3.42Å; S532-L585 WeakPolarHBondContact CB-O 3.5Å; S532-L585 PolarHBondContact O-N 3.16Å; S532-L585 PolarHBondContact OG-O 3.32Å; F534-L585 HydrophobicContact CD1-CD2 4.18Å; F534-L585 HydrophobicContact CD2-CD2 4.23Å; F534-L585 HydrophobicContact CE1-CD2 3.72Å; F534-L585 HydrophobicContact CE2-CD2 3.77Å; F534-L585 HydrophobicContact CG-CD2 4.42Å; F534-L585 HydrophobicContact CZ-CD2 3.51Å; A543-L585 HydrophobicContact CB-CD2 4.5Å; L585-L587 HydrophobicContact CD2-CD1 4.04Å; L585-L587 HydrophobicContact CG-CD1 4.07Å; L585-L628 HydrophobicContact CD1-CD2 3.77Å; L585-L628 HydrophobicContact CD2-CD2 3.61Å; L585-L628 HydrophobicContact CG-CD2 4.24Å; L585-F631 HydrophobicContact CD1-CD2 4.12Å
586L97.4Very high89.5Confident1 Ų140.8 Ų40.81%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-134.7113.1178.8-172.965000110.9V461 Q462 V463 V464 I528 P546 F567 C570 I571 L574V461-L586 HydrophobicContact CG1-CB 4.16Å; Q462-L586 PolarHBondContact O-N 2.82Å; V463-L586 WeakPolarHBondContact CA-O 3.42Å; V463-L586 HydrophobicContact CG2-CB 4.4Å; V464-L586 PolarHBondContact N-O 3.25Å; V464-L586 VanDerWaalsContact N-O 3.08Å; I528-L586 HydrophobicContact CD1-CD1 3.69Å; P546-L586 HydrophobicContact CG-CD1 3.64Å; F567-L586 HydrophobicContact CD2-CD2 3.83Å; F567-L586 HydrophobicContact CD2-CG 4.28Å; F567-L586 HydrophobicContact CE1-CD2 4.42Å; F567-L586 HydrophobicContact CE2-CD1 4.43Å; F567-L586 HydrophobicContact CE2-CD2 3.32Å; F567-L586 HydrophobicContact CE2-CG 3.53Å; F567-L586 HydrophobicContact CZ-CD2 3.65Å; F567-L586 HydrophobicContact CZ-CG 4.07Å; C570-L586 HydrophobicContact CB-CD2 4.5Å; I571-L586 HydrophobicContact CD1-CD2 4.35Å; I571-L586 HydrophobicContact CG1-CD2 3.6Å; L574-L586 HydrophobicContact CD1-CB 4.42Å; L574-L586 HydrophobicContact CD1-CD1 4.31Å; L574-L586 HydrophobicContact CD1-CD2 4.28Å
587L97.9Very high88.3Confident1 Ų138 Ų381%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-87.7137.3179.8-63.998.4000111.6V464 V466 I497 A543 L545 F549 L585 L628V464-L587 WeakPolarHBondContact O-CA 3.18Å; V466-L587 HydrophobicContact CG2-CD2 4.24Å; I497-L587 HydrophobicContact CD1-CD2 3.7Å; I497-L587 HydrophobicContact CG1-CD2 4.05Å; I497-L587 HydrophobicContact CG2-CD2 4.14Å; A543-L587 HydrophobicContact CB-CD1 4.21Å; A543-L587 HydrophobicContact CB-CD2 4.46Å; L545-L587 HydrophobicContact CD2-CB 3.71Å; L545-L587 HydrophobicContact CD2-CD2 4.32Å; F549-L587 WeakPolarHBondContact CE2-O 3.36Å; L585-L587 HydrophobicContact CD2-CD1 4.04Å; L585-L587 HydrophobicContact CG-CD1 4.07Å; L587-L628 HydrophobicContact CD2-CD1 4.11Å; L587-L628 HydrophobicContact CD2-CD2 4.21Å
588F96.2Very high86.9Confident3 Ų344 Ų441%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-123.1103.1171.3-166.4-64000109.6V464 L465 V466 F549 I560 L563 L564 F567 I590 Y594 L606V464-F588 PolarHBondContact O-N 2.77Å; L465-F588 WeakPolarHBondContact CA-O 3.39Å; L465-F588 HydrophobicContact CD2-CB 3.74Å; L465-F588 HydrophobicContact CD2-CG 4.24Å; V466-F588 PolarHBondContact N-O 3.29Å; F549-F588 HydrophobicContact CE1-CD1 4.19Å; F549-F588 HydrophobicContact CE1-CD2 4.13Å; F549-F588 HydrophobicContact CE1-CE1 4.09Å; F549-F588 HydrophobicContact CE1-CE2 4.01Å; F549-F588 HydrophobicContact CE1-CG 4.18Å; F549-F588 AromaticContact CE1-CZ 4Å; F549-F588 HydrophobicContact CE1-CZ 4Å; F549-F588 HydrophobicContact CZ-CB 4.26Å; F549-F588 HydrophobicContact CZ-CD1 4.28Å; F549-F588 AromaticContact CZ-CD2 3.64Å; F549-F588 HydrophobicContact CZ-CD2 3.64Å; F549-F588 AromaticContact CZ-CE2 3.9Å; F549-F588 HydrophobicContact CZ-CE2 3.9Å; F549-F588 AromaticContact CZ-CG 3.81Å; F549-F588 HydrophobicContact CZ-CG 3.81Å; F549-F588 HydrophobicContact CZ-CZ 4.33Å; I560-F588 HydrophobicContact CD1-CZ 4.49Å; L563-F588 HydrophobicContact CD2-CZ 4.29Å; L564-F588 HydrophobicContact CD2-CE2 3.72Å; L564-F588 HydrophobicContact CD2-CZ 3.83Å; F567-F588 HydrophobicContact CB-CD2 4.39Å; F567-F588 HydrophobicContact CB-CE2 4.21Å; F567-F588 HydrophobicContact CD1-CD2 4.06Å; F567-F588 HydrophobicContact CD1-CE2 4.43Å; F567-F588 AromaticContact CD2-CD2 3.5Å; F567-F588 HydrophobicContact CD2-CD2 3.5Å; F567-F588 HydrophobicContact CD2-CE2 4.14Å; F567-F588 HydrophobicContact CD2-CG 4.5Å; F567-F588 HydrophobicContact CE1-CD2 4.16Å; F567-F588 HydrophobicContact CE2-CB 3.9Å; F567-F588 AromaticContact CE2-CD2 3.59Å; F567-F588 HydrophobicContact CE2-CD2 3.59Å; F567-F588 HydrophobicContact CE2-CG 4.25Å; F567-F588 AromaticContact CG-CD2 3.73Å; F567-F588 HydrophobicContact CG-CD2 3.73Å; F567-F588 HydrophobicContact CG-CE2 4.02Å; F567-F588 HydrophobicContact CZ-CB 4.15Å; F567-F588 AromaticContact CZ-CD2 3.94Å; F567-F588 HydrophobicContact CZ-CD2 3.94Å; F588-I590 HydrophobicContact CD1-CG1 3.8Å; F588-I590 HydrophobicContact CE1-CG1 4.06Å; F588-Y594 HydrophobicContact CE1-CE2 4.43Å; F588-L606 HydrophobicContact CE1-CD1 4.35Å; F588-L606 HydrophobicContact CZ-CD1 4.43Å
589P95.2Very high85.4Confident0 Ų049.9 Ų49.90%025%0.246CC..EExtended strand (participates in β ladder)trans-76.3129.6172.232.6-34.8000110.5V466 F486 L545 F549 Y591V466-P589 CarbonylContact O-C 3.45Å; V466-P589 WeakPolarHBondContact O-CA 3.38Å; F486-P589 HydrophobicContact CZ-CB 3.94Å; L545-P589 HydrophobicContact CD1-CB 4.47Å; L545-P589 HydrophobicContact CD1-CG 4.16Å; L545-P589 HydrophobicContact CD2-CB 4.41Å; L545-P589 HydrophobicContact CD2-CG 4.07Å; F549-P589 HydrophobicContact CB-CG 4.26Å; F549-P589 HydrophobicContact CD1-CG 3.71Å; F549-P589 HydrophobicContact CD2-CG 4.27Å; F549-P589 HydrophobicContact CE1-CG 4.06Å; F549-P589 HydrophobicContact CG-CG 3.83Å; F549-P589 HydrophobicContact CZ-CG 4.48Å; P589-Y591 HydrophobicContact CB-CD2 4.41Å; P589-Y591 HydrophobicContact CB-CE1 4.15Å; P589-Y591 HydrophobicContact CB-CE2 3.77Å; P589-Y591 HydrophobicContact CG-CD2 4.41Å; P589-Y591 HydrophobicContact CG-CE2 3.54Å
590I93.3Very high84.5Confident0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-101.7101.9177.2-59.5175.8000107.6L465 V466 E468 I472 L476 F588 Y594 F595 L606 I610L465-I590 HydrophobicContact CB-CD1 4.2Å; L465-I590 HydrophobicContact CD1-CD1 4.41Å; V466-I590 PolarHBondContact O-N 2.89Å; E468-I590 WeakPolarHBondContact CB-O 3.47Å; E468-I590 PolarHBondContact N-O 3.37Å; E468-I590 VanDerWaalsContact N-O 3.11Å; I472-I590 HydrophobicContact CG2-CB 4.29Å; I472-I590 HydrophobicContact CG2-CG2 3.76Å; L476-I590 HydrophobicContact CD1-CB 4.27Å; L476-I590 HydrophobicContact CD1-CD1 3.58Å; L476-I590 HydrophobicContact CD1-CG2 4.16Å; L476-I590 HydrophobicContact CD2-CD1 3.92Å; L476-I590 HydrophobicContact CG-CD1 4.44Å; F588-I590 HydrophobicContact CD1-CG1 3.8Å; F588-I590 HydrophobicContact CE1-CG1 4.06Å; I590-Y594 HydrophobicContact CG2-CD2 4.45Å; I590-F595 HydrophobicContact CG2-CE2 3.65Å; I590-F595 HydrophobicContact CG2-CZ 3.89Å; I590-L606 HydrophobicContact CG2-CD2 4.15Å; I590-I610 HydrophobicContact CD1-CD1 4.21Å
591Y89.4Confident84.1Confident36 Ų3652.4 Ų52.414%0.14126%0.255CS..  trans-91149.2-179-60.5-69.4000112.2E468 P589 R593 Y594E468-Y591 HydrophobicContact CB-CD1 4.07Å; E468-Y591 HydrophobicContact CG-CD1 4.07Å; E468-Y591 WeakPolarHBondContact OE2-CA 3.4Å; E468-Y591 WeakPolarHBondContact OE2-CB 3.46Å; P589-Y591 HydrophobicContact CB-CD2 4.41Å; P589-Y591 HydrophobicContact CB-CE1 4.15Å; P589-Y591 HydrophobicContact CB-CE2 3.77Å; P589-Y591 HydrophobicContact CG-CD2 4.41Å; P589-Y591 HydrophobicContact CG-CE2 3.54Å; Y591-R593 PolarHBondContact O-N 3.25Å; Y591-Y594 AromaticContact CD2-CE2 3.83Å; Y591-Y594 HydrophobicContact CD2-CE2 3.83Å; Y591-Y594 AromaticContact CD2-CZ 3.82Å; Y591-Y594 WeakPolarHBondContact CD2-OH 3.21Å; Y591-Y594 HydrophobicContact CG-CE2 4.34Å; Y591-Y594 WeakPolarHBondContact O-CB 3.46Å; Y591-Y594 VanDerWaalsContact O-CD2 3.24Å; Y591-Y594 WeakPolarHBondContact O-CD2 3.43Å; Y591-Y594 PolarHBondContact O-N 3.17Å
592R87.2Confident83.9Confident105 Ų10548.2 Ų48.240%0.39623%0.227SC..G310 helixtrans-54.8-35.6178.5-172.8172.8-144.9113.72.3113.6E468 D469 I472 Y594 F595E468-R592 PolarHBondContact OE2-N 3.43Å; D469-R592 IonicContact OD1-NH1 3.61Å; D469-R592 IonicContact OD2-CZ 2.76Å; D469-R592 IonicContact OD2-NH1 3.47Å; D469-R592 PolarHBondContact OD2-NH1 3.04Å; I472-R592 HydrophobicContact CD1-CB 4.08Å; I472-R592 HydrophobicContact CD1-CG 4.18Å; I472-R592 HydrophobicContact CG1-CB 4.27Å; R592-Y594 PolarHBondContact O-N 2.88Å; R592-F595 WeakPolarHBondContact O-CA 3.06Å; R592-F595 WeakPolarHBondContact O-CB 3.28Å; R592-F595 WeakPolarHBondContact O-CD2 3.35Å; R592-F595 PolarHBondContact O-N 3.47Å
593R83.5Confident83.7Confident72 Ų7247.5 Ų47.527%0.27222%0.215SC..G310 helixtrans-56.7-21.4176.263.1170.6152.5-137.3-17115H551 Y591 F595 R596H551-R593 PolarHBondContact CD2-NH1 3.46Å; H551-R593 PolarHBondContact CD2-NH2 3.06Å; H551-R593 PolarHBondContact CE1-NH1 2.97Å; H551-R593 PolarHBondContact ND1-NH1 2.97Å; H551-R593 PolarHBondContact NE2-NH1 3Å; H551-R593 PolarHBondContact NE2-NH2 3.3Å; H551-R593 VanDerWaalsContact NE2-NH2 3.15Å; Y591-R593 PolarHBondContact O-N 3.25Å; R593-F595 PolarHBondContact O-N 3.18Å; R593-R596 VanDerWaalsContact O-CG 3.29Å; R593-R596 WeakPolarHBondContact O-CG 3.39Å
594Y86.4Confident83.4Confident12 Ų1248.4 Ų48.45%0.04723%0.231CC..G310 helixtrans-71.1-23.1177.5-57.8-37.2000110.7I560 L563 F588 I590 Y591 R592 R596 P603I560-Y594 HydrophobicContact CD1-CD1 4.03Å; I560-Y594 HydrophobicContact CD1-CD2 4.33Å; I560-Y594 HydrophobicContact CD1-CE1 4.27Å; I560-Y594 HydrophobicContact CD1-CG 4.08Å; L563-Y594 HydrophobicContact CD2-CE1 3.93Å; L563-Y594 HydrophobicContact CD2-CE2 4.42Å; L563-Y594 WeakPolarHBondContact CD2-OH 3.46Å; F588-Y594 HydrophobicContact CE1-CE2 4.43Å; I590-Y594 HydrophobicContact CG2-CD2 4.45Å; Y591-Y594 AromaticContact CD2-CE2 3.83Å; Y591-Y594 HydrophobicContact CD2-CE2 3.83Å; Y591-Y594 AromaticContact CD2-CZ 3.82Å; Y591-Y594 WeakPolarHBondContact CD2-OH 3.21Å; Y591-Y594 HydrophobicContact CG-CE2 4.34Å; Y591-Y594 WeakPolarHBondContact O-CB 3.46Å; Y591-Y594 VanDerWaalsContact O-CD2 3.24Å; Y591-Y594 WeakPolarHBondContact O-CD2 3.43Å; Y591-Y594 PolarHBondContact O-N 3.17Å; R592-Y594 PolarHBondContact O-N 2.88Å; Y594-R596 PolarHBondContact O-N 3.2Å; Y594-P603 WeakPolarHBondContact O-CG 3.48Å
595F82.4Confident83.2Confident15 Ų1549.9 Ų49.97%0.06624%0.241CC..  trans-9489.8178.7-54.2-110.5000107.9I472 Q475 I590 R592 R593 I602I472-F595 HydrophobicContact CD1-CD2 3.8Å; I472-F595 HydrophobicContact CD1-CE1 4.46Å; I472-F595 HydrophobicContact CD1-CE2 3.73Å; I472-F595 HydrophobicContact CD1-CG 4.28Å; I472-F595 HydrophobicContact CD1-CZ 4.08Å; I472-F595 HydrophobicContact CG1-CE2 4.48Å; I472-F595 HydrophobicContact CG2-CE2 3.99Å; I472-F595 HydrophobicContact CG2-CZ 3.94Å; Q475-F595 HydrophobicContact CB-CE1 4.36Å; I590-F595 HydrophobicContact CG2-CE2 3.65Å; I590-F595 HydrophobicContact CG2-CZ 3.89Å; R592-F595 WeakPolarHBondContact O-CA 3.06Å; R592-F595 WeakPolarHBondContact O-CB 3.28Å; R592-F595 WeakPolarHBondContact O-CD2 3.35Å; R592-F595 PolarHBondContact O-N 3.47Å; R593-F595 PolarHBondContact O-N 3.18Å; F595-I602 HydrophobicContact CD1-CG1 4.45Å; F595-I602 HydrophobicContact CE1-CB 4.36Å; F595-I602 HydrophobicContact CE1-CG1 3.61Å; F595-I602 HydrophobicContact CZ-CG1 4.3Å
596R66.7Low82.9Confident143 Ų14350 Ų5054%0.5424%0.241SC..  trans-97.7-20.1-175.6-63.6-173.372.6-150.47.9114.1R593 Y594 Q942 T943 T944R593-R596 VanDerWaalsContact O-CG 3.29Å; R593-R596 WeakPolarHBondContact O-CG 3.39Å; Y594-R596 PolarHBondContact O-N 3.2Å; R596-Q942 PolarHBondContact NH2-O 3.36Å; R596-T943 PolarHBondContact NH2-O 3.41Å; R596-T944 VanDerWaalsContact NH1-CG2 3.35Å; R596-T944 PolarHBondContact NH1-OG1 3.14Å; R596-T944 PolarHBondContact NH2-OG1 2.76Å
597S59.7Low82.6Confident64 Ų6451 Ų5145%0.44825%0.248SC..SBendtrans-69140.4-179-59.10000109.9R599 N600S597-R599 PolarHBondContact O-N 3.08Å; S597-R599 VanDerWaalsContact O-N 3.1Å; S597-N600 PolarHBondContact O-N 3.22Å
598D58.4Low82.3Confident132 Ų13253.9 Ų53.971%0.70627%0.269SS*.THydrogen-bonded Turntrans-46.9-32.1164.158.1-18.4000112.8N600D598-N600 PolarHBondContact O-N 3.24Å
599R60.2Low82.1Confident135 Ų13553.8 Ų53.851%0.50927%0.268SS..THydrogen-bonded Turntrans-72.8-6.4176.4-58-167.5-170-164.15.6115.1S597 D601 G693S597-R599 PolarHBondContact O-N 3.08Å; S597-R599 VanDerWaalsContact O-N 3.1Å; R599-D601 VanDerWaalsContact CB-OD2 3.26Å; R599-D601 WeakPolarHBondContact CB-OD2 3.42Å; R599-D601 PolarHBondContact O-N 3.19Å; R599-G693 VanDerWaalsContact NH2-N 3.16Å; R599-G693 PolarHBondContact NH2-O 2.89Å
600N64.8Low82Confident74 Ų7454.1 Ų54.140%0.39627%0.27SS..  trans51.618.1-173.5-74.2-22.1000114.8S597 D598S597-N600 PolarHBondContact O-N 3.22Å; D598-N600 PolarHBondContact O-N 3.24Å
601D79.4Confident81.9Confident76 Ų7661 Ų6141%0.40630%0.3SS..PPolyproline II helixtrans-68.7144.5178.7-69.2-42000111.5R599 P603R599-D601 VanDerWaalsContact CB-OD2 3.26Å; R599-D601 WeakPolarHBondContact CB-OD2 3.42Å; R599-D601 PolarHBondContact O-N 3.19Å; D601-P603 WeakPolarHBondContact O-CD 3.32Å
602I84Confident82Confident8 Ų864.6 Ų64.64%0.04132%0.316CS..PPolyproline II helixtrans-61.6127.5173-62.2178.2000109.5L476 Y479 F595 T604 L606L476-I602 HydrophobicContact CD2-CD1 3.78Å; Y479-I602 HydrophobicContact CD1-CD1 4.18Å; Y479-I602 HydrophobicContact CD2-CD1 3.18Å; Y479-I602 HydrophobicContact CD2-CG1 3.87Å; Y479-I602 HydrophobicContact CE1-CB 4.49Å; Y479-I602 HydrophobicContact CE1-CD1 4.46Å; Y479-I602 HydrophobicContact CE2-CB 4.11Å; Y479-I602 HydrophobicContact CE2-CD1 3.52Å; Y479-I602 HydrophobicContact CE2-CG1 3.63Å; Y479-I602 HydrophobicContact CG-CD1 3.52Å; Y479-I602 HydrophobicContact CG-CG1 4.48Å; F595-I602 HydrophobicContact CD1-CG1 4.45Å; F595-I602 HydrophobicContact CE1-CB 4.36Å; F595-I602 HydrophobicContact CE1-CG1 3.61Å; F595-I602 HydrophobicContact CZ-CG1 4.3Å; I602-T604 PolarHBondContact O-N 2.98Å; I602-L606 HydrophobicContact CG2-CB 4.11Å; I602-L606 HydrophobicContact CG2-CD2 4.11Å; I602-L606 HydrophobicContact CG2-CG 4.07Å
603P87.2Confident82.3Confident28 Ų2859.8 Ų59.818%0.18230%0.299CS..PPolyproline II helixtrans-54.4135.3175-24.931.9000112.3Y594 D601 P605 L606 S607Y594-P603 WeakPolarHBondContact O-CG 3.48Å; D601-P603 WeakPolarHBondContact O-CD 3.32Å; P603-P605 VanDerWaalsContact C-N 3.3Å; P603-L606 HydrophobicContact CB-CB 4.3Å; P603-L606 WeakPolarHBondContact O-CA 3.49Å; P603-L606 WeakPolarHBondContact O-CB 3.31Å; P603-L606 PolarHBondContact O-N 3.09Å; P603-S607 PolarHBondContact O-N 3.1Å
604T88.8Confident82.7Confident112 Ų11259.4 Ų59.469%0.68731%0.311SS*.Hα-helixtrans-54.9-35.3-179.259.50000114.5I602 L606 S607 S608I602-T604 PolarHBondContact O-N 2.98Å; T604-L606 VanDerWaalsContact C-N 3.35Å; T604-S607 WeakPolarHBondContact CA-OG 3.35Å; T604-S607 PolarHBondContact O-OG 3.18Å; T604-S607 VanDerWaalsContact O-OG 3.12Å; T604-S608 VanDerWaalsContact O-CB 3.23Å; T604-S608 WeakPolarHBondContact O-CB 3.4Å; T604-S608 PolarHBondContact O-N 2.94Å
605P91.1Very high82.9Confident30 Ų3062.5 Ų62.520%0.19534%0.335CS..Hα-helixtrans-67.4-36.1175.1-20.735.4000112.8E561 L564 P603 A609E561-P605 HydrophobicContact CG-CB 3.67Å; E561-P605 HydrophobicContact CG-CG 3.69Å; L564-P605 HydrophobicContact CD1-CB 4Å; L564-P605 WeakPolarHBondContact CD1-O 3.5Å; P603-P605 VanDerWaalsContact C-N 3.3Å; P605-A609 WeakPolarHBondContact O-CB 3.25Å; P605-A609 PolarHBondContact O-N 3.25Å
606L92Very high83.4Confident2 Ų262.7 Ų62.71%0.0134%0.34CS..Hα-helixtrans-70.3-48.3178.4179.858.2000110.5I560 L564 F588 I590 I602 P603 T604 S608 A609 I610I560-L606 HydrophobicContact CG1-CB 4.39Å; L564-L606 HydrophobicContact CD2-CD1 4.27Å; F588-L606 HydrophobicContact CE1-CD1 4.35Å; F588-L606 HydrophobicContact CZ-CD1 4.43Å; I590-L606 HydrophobicContact CG2-CD2 4.15Å; I602-L606 HydrophobicContact CG2-CB 4.11Å; I602-L606 HydrophobicContact CG2-CD2 4.11Å; I602-L606 HydrophobicContact CG2-CG 4.07Å; P603-L606 HydrophobicContact CB-CB 4.3Å; P603-L606 WeakPolarHBondContact O-CA 3.49Å; P603-L606 WeakPolarHBondContact O-CB 3.31Å; P603-L606 PolarHBondContact O-N 3.09Å; T604-L606 VanDerWaalsContact C-N 3.35Å; L606-S608 VanDerWaalsContact C-N 3.31Å; L606-S608 PolarHBondContact O-N 3.3Å; L606-A609 WeakPolarHBondContact O-CB 3.4Å; L606-A609 PolarHBondContact O-N 3.15Å; L606-A609 VanDerWaalsContact O-N 3.11Å; L606-I610 HydrophobicContact CD1-CD1 4.02Å; L606-I610 HydrophobicContact CD1-CG1 4.21Å; L606-I610 HydrophobicContact CG-CD1 3.91Å; L606-I610 WeakPolarHBondContact O-CG1 3.45Å; L606-I610 PolarHBondContact O-N 3.27Å
607S90.4Very high84.5Confident22 Ų2262.6 Ų62.615%0.15434%0.341CS..Hα-helixtrans-61.9-38.917763.70000112.4P603 T604 I610 K611P603-S607 PolarHBondContact O-N 3.1Å; T604-S607 WeakPolarHBondContact CA-OG 3.35Å; T604-S607 PolarHBondContact O-OG 3.18Å; T604-S607 VanDerWaalsContact O-OG 3.12Å; S607-I610 PolarHBondContact O-N 3.29Å; S607-K611 WeakPolarHBondContact O-CB 3.48Å; S607-K611 VanDerWaalsContact O-CG 3.3Å; S607-K611 WeakPolarHBondContact O-CG 3.46Å; S607-K611 PolarHBondContact O-N 2.93Å
608S91.4Very high85.9Confident62 Ų6259.8 Ų59.843%0.43432%0.321SS..Hα-helixtrans-63.1-42.1172.8-178.80000112.4T604 L606 K612T604-S608 VanDerWaalsContact O-CB 3.23Å; T604-S608 WeakPolarHBondContact O-CB 3.4Å; T604-S608 PolarHBondContact O-N 2.94Å; L606-S608 VanDerWaalsContact C-N 3.31Å; L606-S608 PolarHBondContact O-N 3.3Å; S608-K612 PolarHBondContact O-N 3.48Å
609A92.5Very high87Confident1 Ų158.2 Ų58.21%0.00831%0.313CS..Hα-helixtrans-64-46.717600000111.7L564 P605 L606 K611 K612 I613L564-A609 HydrophobicContact CD1-CB 3.98Å; L564-A609 HydrophobicContact CD2-CB 3.57Å; L564-A609 HydrophobicContact CG-CB 4.33Å; P605-A609 WeakPolarHBondContact O-CB 3.25Å; P605-A609 PolarHBondContact O-N 3.25Å; L606-A609 WeakPolarHBondContact O-CB 3.4Å; L606-A609 PolarHBondContact O-N 3.15Å; L606-A609 VanDerWaalsContact O-N 3.11Å; A609-K611 PolarHBondContact O-N 3.01Å; A609-K612 WeakPolarHBondContact O-CA 3.32Å; A609-K612 WeakPolarHBondContact O-CB 3.34Å; A609-K612 PolarHBondContact O-N 2.93Å; A609-I613 WeakPolarHBondContact O-CG1 3.26Å; A609-I613 PolarHBondContact O-N 3.35Å
610I92.8Very high88.1Confident7 Ų756.8 Ų56.84%0.03633%0.33CS..Hα-helixtrans-60.1-45.8178.2-64.8165.1000110.7L465 L476 V481 I590 L606 S607 K612 I613 A614L465-I610 HydrophobicContact CD1-CG1 4.08Å; L465-I610 HydrophobicContact CD1-CG2 3.97Å; L476-I610 HydrophobicContact CD2-CD1 3.79Å; V481-I610 HydrophobicContact CB-CG2 4.31Å; V481-I610 HydrophobicContact CG1-CG2 3.77Å; V481-I610 HydrophobicContact CG2-CG2 3.5Å; I590-I610 HydrophobicContact CD1-CD1 4.21Å; L606-I610 HydrophobicContact CD1-CD1 4.02Å; L606-I610 HydrophobicContact CD1-CG1 4.21Å; L606-I610 HydrophobicContact CG-CD1 3.91Å; L606-I610 WeakPolarHBondContact O-CG1 3.45Å; L606-I610 PolarHBondContact O-N 3.27Å; S607-I610 PolarHBondContact O-N 3.29Å; I610-K612 VanDerWaalsContact C-N 3.27Å; I610-K612 PolarHBondContact O-N 2.85Å; I610-I613 PolarHBondContact O-N 2.9Å; I610-I613 VanDerWaalsContact O-N 3.13Å; I610-A614 WeakPolarHBondContact O-CB 3.27Å; I610-A614 PolarHBondContact O-N 3.02Å
611K91.7Very high89.3Confident146 Ų14653.6 Ų53.664%0.63531%0.313SS*.Hα-helixtrans-58.5-37.5174.3-73.4176.9-178-176.40112.6S607 A609 S615S607-K611 WeakPolarHBondContact O-CB 3.48Å; S607-K611 VanDerWaalsContact O-CG 3.3Å; S607-K611 WeakPolarHBondContact O-CG 3.46Å; S607-K611 PolarHBondContact O-N 2.93Å; A609-K611 PolarHBondContact O-N 3.01Å; K611-S615 WeakPolarHBondContact O-CB 3.4Å; K611-S615 PolarHBondContact O-N 3.27Å
612K91.8Very high90.1Very high110 Ų11056 Ų5648%0.47832%0.316SS..Hα-helixtrans-67.1-43.6174.1-101.8177.9174.8174.20112.4S608 A609 I610 A614 S615 M618S608-K612 PolarHBondContact O-N 3.48Å; A609-K612 WeakPolarHBondContact O-CA 3.32Å; A609-K612 WeakPolarHBondContact O-CB 3.34Å; A609-K612 PolarHBondContact O-N 2.93Å; I610-K612 VanDerWaalsContact C-N 3.27Å; I610-K612 PolarHBondContact O-N 2.85Å; K612-A614 VanDerWaalsContact C-N 3.31Å; K612-A614 PolarHBondContact O-N 3.22Å; K612-S615 PolarHBondContact O-N 3.12Å; K612-S615 PolarHBondContact O-OG 3.23Å; K612-M618 HydrophobicContact CB-CE 3.9Å
613I92.9Very high90.6Very high4 Ų455.8 Ų55.82%0.02132%0.315CS..Hα-helixtrans-59-48.1175-62.5168.8000109.2V463 L465 F567 A609 I610 S615 G616 M618 V623 L625V463-I613 HydrophobicContact CB-CG2 4.12Å; V463-I613 HydrophobicContact CG1-CD1 4.25Å; V463-I613 HydrophobicContact CG1-CG2 3.91Å; L465-I613 HydrophobicContact CD2-CD1 4.16Å; F567-I613 HydrophobicContact CE1-CD1 3.94Å; A609-I613 WeakPolarHBondContact O-CG1 3.26Å; A609-I613 PolarHBondContact O-N 3.35Å; I610-I613 PolarHBondContact O-N 2.9Å; I610-I613 VanDerWaalsContact O-N 3.13Å; I613-S615 VanDerWaalsContact C-N 3.28Å; I613-S615 PolarHBondContact O-N 3.44Å; I613-G616 PolarHBondContact O-N 3.28Å; I613-M618 HydrophobicContact CB-CE 4.38Å; I613-M618 HydrophobicContact CD1-CE 4.07Å; I613-M618 HydrophobicContact CG1-CE 3.24Å; I613-M618 HydrophobicContact CG1-SD 4.33Å; I613-V623 HydrophobicContact CG2-CG1 3.89Å; I613-L625 HydrophobicContact CG2-CB 4.07Å; I613-L625 HydrophobicContact CG2-CD1 3.96Å; I613-L625 HydrophobicContact CG2-CD2 4.48Å; I613-L625 HydrophobicContact CG2-CG 4.39Å
614A91Very high91.1Very high64 Ų6456.3 Ų56.353%0.52932%0.316SS..Hα-helixtrans-63.5-29.217800000113.4I610 K612 G616 L625I610-A614 WeakPolarHBondContact O-CB 3.27Å; I610-A614 PolarHBondContact O-N 3.02Å; K612-A614 VanDerWaalsContact C-N 3.31Å; K612-A614 PolarHBondContact O-N 3.22Å; A614-G616 PolarHBondContact O-N 3.04Å; A614-L625 HydrophobicContact CB-CD2 4.27Å
615S91Very high91.4Very high78 Ų7853.8 Ų53.855%0.54530%0.298SS..THydrogen-bonded Turntrans-69.9-7.3173.773.20000114.4K611 K612 I613K611-S615 WeakPolarHBondContact O-CB 3.4Å; K611-S615 PolarHBondContact O-N 3.27Å; K612-S615 PolarHBondContact O-N 3.12Å; K612-S615 PolarHBondContact O-OG 3.23Å; I613-S615 VanDerWaalsContact C-N 3.28Å; I613-S615 PolarHBondContact O-N 3.44Å
616G92.6Very high91.6Very high18 Ų1853.5 Ų53.519%0.18630%0.3CS..THydrogen-bonded Turntrans86.52.7175.300000115.3I613 A614 R622 V623I613-G616 PolarHBondContact O-N 3.28Å; A614-G616 PolarHBondContact O-N 3.04Å; G616-R622 CarbonylContact O-C 3.52Å; G616-R622 WeakPolarHBondContact O-CA 3.42Å; G616-V623 CarbonylContact C-O 3.58Å; G616-V623 VanDerWaalsContact CA-O 3.27Å; G616-V623 WeakPolarHBondContact CA-O 3.15Å; G616-V623 PolarHBondContact O-N 2.94Å
617Y91.2Very high91.8Very high142 Ų14255 Ų5556%0.55731%0.31SS*.EExtended strand (participates in β ladder)trans-142.2133.1179.1-73.5-88.7000112.6T621 R622Y617-T621 CarbonylContact C-O 3.56Å; Y617-T621 VanDerWaalsContact CA-O 3.31Å; Y617-T621 WeakPolarHBondContact CA-O 3.31Å; Y617-R622 HydrophobicContact CD1-CB 4.32Å; Y617-R622 HydrophobicContact CE1-CB 3.92Å; Y617-R622 HydrophobicContact CE1-CG 4.32Å
618M89.6Confident92Very high5 Ų554 Ų543%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-142.5132.3173.5-174.9167.3-69.700110F567 R568 I571 K612 I613 A620 T621 V623F567-M618 HydrophobicContact CD1-SD 4.23Å; F567-M618 HydrophobicContact CE1-SD 4.38Å; R568-M618 HydrophobicContact CB-SD 4.47Å; R568-M618 HydrophobicContact CG-CG 3.83Å; R568-M618 HydrophobicContact CG-SD 3.49Å; R568-M618 WeakPolarHBondContact CG-SD 3.48Å; I571-M618 HydrophobicContact CD1-CB 4.34Å; I571-M618 HydrophobicContact CD1-CG 4.21Å; I571-M618 HydrophobicContact CD1-SD 3.53Å; I571-M618 VanDerWaalsContact CD1-SD 3.53Å; K612-M618 HydrophobicContact CB-CE 3.9Å; I613-M618 HydrophobicContact CB-CE 4.38Å; I613-M618 HydrophobicContact CD1-CE 4.07Å; I613-M618 HydrophobicContact CG1-CE 3.24Å; I613-M618 HydrophobicContact CG1-SD 4.33Å; M618-A620 VanDerWaalsContact C-N 3.3Å; M618-A620 PolarHBondContact O-N 3.07Å; M618-T621 PolarHBondContact N-O 2.92Å; M618-T621 WeakPolarHBondContact O-CA 3.4Å; M618-T621 WeakPolarHBondContact O-CB 3.22Å; M618-T621 PolarHBondContact O-N 2.94Å; M618-V623 HydrophobicContact CB-CG2 3.89Å
619N80.5Confident92.2Very high99 Ų9956.8 Ų56.853%0.52931%0.307SS..THydrogen-bonded Turntrans51.346.9179.7-161.833.9000113.2R568 T621R568-N619 PolarHBondContact O-ND2 2.8Å; N619-T621 PolarHBondContact O-N 3.18Å; N619-T621 PolarHBondContact O-OG1 3.36Å
620A83.9Confident92.3Very high105 Ų10561.6 Ų61.687%0.86833%0.332SS*.THydrogen-bonded Turntrans56.713.9-173.900000115.3M618M618-A620 VanDerWaalsContact C-N 3.3Å; M618-A620 PolarHBondContact O-N 3.07Å
621T90Very high92.4Very high7 Ų761.8 Ų61.84%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-108136.2178.6-60.90000109.6V461 I571 K575 Y617 M618 N619 V623V461-T621 HydrophobicContact CG2-CG2 3.86Å; I571-T621 HydrophobicContact CG2-CG2 3.62Å; K575-T621 HydrophobicContact CB-CG2 3.52Å; K575-T621 HydrophobicContact CD-CG2 4.3Å; K575-T621 HydrophobicContact CG-CG2 3.86Å; Y617-T621 CarbonylContact C-O 3.56Å; Y617-T621 VanDerWaalsContact CA-O 3.31Å; Y617-T621 WeakPolarHBondContact CA-O 3.31Å; M618-T621 PolarHBondContact N-O 2.92Å; M618-T621 WeakPolarHBondContact O-CA 3.4Å; M618-T621 WeakPolarHBondContact O-CB 3.22Å; M618-T621 PolarHBondContact O-N 2.94Å; N619-T621 PolarHBondContact O-N 3.18Å; N619-T621 PolarHBondContact O-OG1 3.36Å; T621-V623 PolarHBondContact O-N 3.01Å
622R94.8Very high92.5Very high126 Ų12657.3 Ų57.348%0.47531%0.314SS..EExtended strand (participates in β ladder)trans-69.9129172.8-171.8177.4178.3-144.20.6109.7S460 V461 G616 Y617S460-R622 CarbonylContact C-O 3.54Å; S460-R622 VanDerWaalsContact CA-O 3.29Å; S460-R622 WeakPolarHBondContact CA-O 3.4Å; V461-R622 PolarHBondContact N-O 3.43Å; G616-R622 CarbonylContact O-C 3.52Å; G616-R622 WeakPolarHBondContact O-CA 3.42Å; Y617-R622 HydrophobicContact CD1-CB 4.32Å; Y617-R622 HydrophobicContact CE1-CB 3.92Å; Y617-R622 HydrophobicContact CE1-CG 4.32Å
623V96.2Very high92.6Very high4 Ų461 Ų612%0.02433%0.333CS..EExtended strand (participates in β ladder)trans-122.3142.2-179.4178.80000109.3V461 V463 I571 I613 G616 M618 T621V461-V623 CarbonylContact O-C 3.59Å; V461-V623 VanDerWaalsContact O-CA 3.28Å; V461-V623 WeakPolarHBondContact O-CA 3.38Å; V463-V623 HydrophobicContact CB-CG1 3.87Å; V463-V623 HydrophobicContact CG2-CG1 3.44Å; V463-V623 VanDerWaalsContact CG2-CG1 3.44Å; I571-V623 HydrophobicContact CD1-CG2 4.26Å; I571-V623 HydrophobicContact CG2-CG2 3.94Å; I613-V623 HydrophobicContact CG2-CG1 3.89Å; G616-V623 CarbonylContact C-O 3.58Å; G616-V623 VanDerWaalsContact CA-O 3.27Å; G616-V623 WeakPolarHBondContact CA-O 3.15Å; G616-V623 PolarHBondContact O-N 2.94Å; M618-V623 HydrophobicContact CB-CG2 3.89Å; T621-V623 PolarHBondContact O-N 3.01Å
624I96.2Very high92.7Very high39 Ų3963.5 Ų63.520%0.235%0.349CS..EExtended strand (participates in β ladder)trans-119.2118.5175.1-54.5176000107.5S460 V461 V463 R583 F631S460-I624 VanDerWaalsContact OG-CD1 3.27Å; S460-I624 WeakPolarHBondContact OG-CD1 3.43Å; V461-I624 PolarHBondContact O-N 3.25Å; V463-I624 PolarHBondContact N-O 3.4Å; R583-I624 VanDerWaalsContact NH1-CD1 3.28Å; I624-F631 HydrophobicContact CB-CZ 4.28Å; I624-F631 HydrophobicContact CG2-CE1 3.81Å; I624-F631 HydrophobicContact CG2-CZ 3.8Å; I624-F631 WeakPolarHBondContact O-CZ 3.23Å
625L95.7Very high92.8Very high59 Ų5961 Ų6131%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-87.8134.7172.7-176.361.3000109.4V463 L465 I613 A614V463-L625 WeakPolarHBondContact O-CA 3.08Å; L465-L625 HydrophobicContact CD1-CD1 4Å; L465-L625 HydrophobicContact CG-CD1 3.76Å; I613-L625 HydrophobicContact CG2-CB 4.07Å; I613-L625 HydrophobicContact CG2-CD1 3.96Å; I613-L625 HydrophobicContact CG2-CD2 4.48Å; I613-L625 HydrophobicContact CG2-CG 4.39Å; A614-L625 HydrophobicContact CB-CD2 4.27Å
626G94.9Very high92.9Very high23 Ų2357.4 Ų57.424%0.23730%0.302CS..  trans-173.7-171.5178.700000112.3V463V463-G626 PolarHBondContact O-N 3.15Å
627T95.9Very high93Very high34 Ų3459.7 Ų59.721%0.20931%0.31CS..  trans-91.7164.7175.672.20000111.3K629 D630 F631T627-K629 VanDerWaalsContact C-N 3.26Å; T627-K629 PolarHBondContact O-N 2.96Å; T627-D630 WeakPolarHBondContact CB-OD2 3.18Å; T627-D630 PolarHBondContact N-OD2 3.32Å; T627-D630 PolarHBondContact O-N 3.48Å; T627-D630 PolarHBondContact OG1-N 3.21Å; T627-D630 PolarHBondContact OG1-OD1 2.96Å; T627-D630 PolarHBondContact OG1-OD2 2.93Å; T627-F631 WeakPolarHBondContact O-CD2 3.5Å; T627-F631 PolarHBondContact O-N 2.84Å
628L96.3Very high92.9Very high1 Ų153.4 Ų53.41%0.00529%0.285CS..Hα-helixtrans-64-34.6175.1-74.6171.2000112.3V464 I489 I495 I497 F534 L585 L587 D630 F631 E632V464-L628 HydrophobicContact CB-CD2 4.42Å; V464-L628 HydrophobicContact CG1-CG 4.16Å; V464-L628 HydrophobicContact CG2-CD2 3.84Å; V464-L628 HydrophobicContact CG2-CG 4.13Å; I489-L628 HydrophobicContact CD1-CD1 4.14Å; I489-L628 HydrophobicContact CG2-CD1 3.59Å; I495-L628 HydrophobicContact CD1-CB 3.83Å; I495-L628 HydrophobicContact CG2-CD1 4.18Å; I497-L628 HydrophobicContact CD1-CD1 3.81Å; I497-L628 HydrophobicContact CG1-CD1 4.1Å; F534-L628 HydrophobicContact CE1-CD2 3.81Å; F534-L628 HydrophobicContact CZ-CB 4.27Å; F534-L628 HydrophobicContact CZ-CD2 3.64Å; L585-L628 HydrophobicContact CD1-CD2 3.77Å; L585-L628 HydrophobicContact CD2-CD2 3.61Å; L585-L628 HydrophobicContact CG-CD2 4.24Å; L587-L628 HydrophobicContact CD2-CD1 4.11Å; L587-L628 HydrophobicContact CD2-CD2 4.21Å; L628-D630 VanDerWaalsContact C-N 3.32Å; L628-D630 PolarHBondContact O-N 3.03Å; L628-F631 PolarHBondContact O-N 3.07Å; L628-F631 VanDerWaalsContact O-N 3.16Å; L628-E632 PolarHBondContact O-N 3.11Å
629K94.2Very high92.9Very high121 Ų12157.7 Ų57.753%0.52631%0.305SS..Hα-helixtrans-62.6-40.2177.9-170.8172.9-175.4164.20111.9E492 A493 T627 F631E492-K629 PolarHBondContact O-NZ 3.02Å; A493-K629 HydrophobicContact CB-CB 4.1Å; T627-K629 VanDerWaalsContact C-N 3.26Å; T627-K629 PolarHBondContact O-N 2.96Å; K629-F631 PolarHBondContact O-N 2.89Å
630D94.1Very high93Very high101 Ų10153.4 Ų53.454%0.5428%0.282SS..Hα-helixtrans-66.1-26.5177.5-55.9-39.7000112.5T627 L628T627-D630 WeakPolarHBondContact CB-OD2 3.18Å; T627-D630 PolarHBondContact N-OD2 3.32Å; T627-D630 PolarHBondContact O-N 3.48Å; T627-D630 PolarHBondContact OG1-N 3.21Å; T627-D630 PolarHBondContact OG1-OD1 2.96Å; T627-D630 PolarHBondContact OG1-OD2 2.93Å; L628-D630 VanDerWaalsContact C-N 3.32Å; L628-D630 PolarHBondContact O-N 3.03Å
631F96.8Very high92.6Very high12 Ų1252 Ų525%0.05326%0.26CS..Hα-helixtrans-99.6-15.2-173.2-63.1-26.6000114.3Q462 V464 L585 I624 T627 L628 K629 E633 T634 S635Q462-F631 HydrophobicContact CB-CD1 4.42Å; Q462-F631 HydrophobicContact CB-CD2 3.72Å; Q462-F631 HydrophobicContact CB-CE1 4.44Å; Q462-F631 HydrophobicContact CB-CE2 3.76Å; Q462-F631 HydrophobicContact CB-CG 4.06Å; Q462-F631 HydrophobicContact CB-CZ 4.11Å; Q462-F631 HydrophobicContact CG-CD1 4.12Å; Q462-F631 HydrophobicContact CG-CD2 4.31Å; Q462-F631 HydrophobicContact CG-CE1 4.18Å; Q462-F631 HydrophobicContact CG-CE2 4.37Å; Q462-F631 HydrophobicContact CG-CG 4.17Å; Q462-F631 HydrophobicContact CG-CZ 4.29Å; V464-F631 HydrophobicContact CG2-CD2 3.69Å; V464-F631 HydrophobicContact CG2-CE2 3.86Å; L585-F631 HydrophobicContact CD1-CD2 4.12Å; I624-F631 HydrophobicContact CB-CZ 4.28Å; I624-F631 HydrophobicContact CG2-CE1 3.81Å; I624-F631 HydrophobicContact CG2-CZ 3.8Å; I624-F631 WeakPolarHBondContact O-CZ 3.23Å; T627-F631 WeakPolarHBondContact O-CD2 3.5Å; T627-F631 PolarHBondContact O-N 2.84Å; L628-F631 PolarHBondContact O-N 3.07Å; L628-F631 VanDerWaalsContact O-N 3.16Å; K629-F631 PolarHBondContact O-N 2.89Å; F631-E633 PolarHBondContact O-N 2.75Å; F631-E633 VanDerWaalsContact O-N 3.16Å; F631-T634 PolarHBondContact O-N 3.37Å; F631-T634 PolarHBondContact O-OG1 3.34Å; F631-S635 VanDerWaalsContact O-CB 3.32Å; F631-S635 WeakPolarHBondContact O-CB 3.41Å; F631-S635 PolarHBondContact O-N 3.34Å; F631-S635 PolarHBondContact O-OG 2.87Å; F631-S635 VanDerWaalsContact O-OG 3.12Å
632E93.8Very high91.7Very high52 Ų5252.5 Ų52.524%0.24326%0.262CS..THydrogen-bonded Turntrans-52.2-41.2-178.7-169.2174.9-173.500112.9F534 R536 T541 L628 T634F534-E632 HydrophobicContact CE2-CB 4.34Å; R536-E632 IonicContact NH2-OE1 2.71Å; R536-E632 PolarHBondContact NH2-OE1 2.95Å; T541-E632 PolarHBondContact OG1-OE1 3.5Å; L628-E632 PolarHBondContact O-N 3.11Å; E632-T634 PolarHBondContact O-N 2.82Å
633E92.4Very high90.2Very high187 Ų18750.9 Ų50.987%0.87427%0.27SS*.THydrogen-bonded Turntrans-76.6-17.8-179.4-62.9-17517000114.5F631F631-E633 PolarHBondContact O-N 2.75Å; F631-E633 VanDerWaalsContact O-N 3.16Å
634T94.6Very high88.5Confident56 Ų5658.4 Ų58.434%0.34431%0.305SS..THydrogen-bonded Turntrans-114.6-15.4-172.3520000113.7Q462 G582 R583 F631 E632Q462-T634 PolarHBondContact NE2-OG1 2.77Å; G582-T634 WeakPolarHBondContact CA-O 3.48Å; R583-T634 PolarHBondContact N-O 3.11Å; F631-T634 PolarHBondContact O-N 3.37Å; F631-T634 PolarHBondContact O-OG1 3.34Å; E632-T634 PolarHBondContact O-N 2.82Å
635S95.1Very high87.2Confident11 Ų1158.3 Ų58.38%0.07731%0.307CS..BIsolated β-bridgetrans-81.2162.3175.3-70.30000112.1Q462 R583 F631Q462-S635 PolarHBondContact OE1-OG 2.87Å; R583-S635 WeakPolarHBondContact O-CA 3.42Å; F631-S635 VanDerWaalsContact O-CB 3.32Å; F631-S635 WeakPolarHBondContact O-CB 3.41Å; F631-S635 PolarHBondContact O-N 3.34Å; F631-S635 PolarHBondContact O-OG 2.87Å; F631-S635 VanDerWaalsContact O-OG 3.12Å
636C92.7Very high86.2Confident4 Ų455.5 Ų55.53%0.02729%0.293CS..  trans-64.3132.6166.5-179.60000110.2Q533 F534 W578 P581 R583Q533-C636 HydrophobicContact CB-CB 3.75Å; Q533-C636 PolarHBondContact OE1-SG 2.91Å; F534-C636 PolarHBondContact N-O 3.29Å; W578-C636 HydrophobicContact CH2-CB 4.32Å; W578-C636 HydrophobicContact CZ2-CB 3.78Å; P581-C636 WeakPolarHBondContact O-CA 3.42Å; P581-C636 WeakPolarHBondContact O-CB 3.03Å; R583-C636 PolarHBondContact O-N 3Å
637L93.2Very high85.5Confident66 Ų6661.4 Ų61.435%0.34631%0.314SS..EExtended strand (participates in β ladder)trans-126.4129.9175.1176.371.8000109.6F534 R536F534-L637 HydrophobicContact CB-CB 4.4Å; F534-L637 HydrophobicContact CB-CD1 3.45Å; F534-L637 VanDerWaalsContact CB-CD1 3.45Å; F534-L637 WeakPolarHBondContact O-CA 3.46Å; R536-L637 HydrophobicContact CB-CD1 4.26Å
638R90.1Very high84.8Confident9 Ų963.6 Ų63.63%0.03433%0.325CS..EExtended strand (participates in β ladder)trans-123.8131.5176.8-59.3-161-169.8-159.90.2112.8D209 Q533 F534 Y535 R536 S580D209-R638 IonicContact OD1-CZ 2.92Å; D209-R638 IonicContact OD1-NH1 2.68Å; D209-R638 PolarHBondContact OD1-NH1 2.87Å; D209-R638 IonicContact OD2-CZ 2.78Å; D209-R638 IonicContact OD2-NE 2.9Å; D209-R638 IonicContact OD2-NH1 3.83Å; D209-R638 PolarHBondContact OD2-NH1 2.74Å; D209-R638 IonicContact OD2-NH2 3.17Å; D209-R638 PolarHBondContact OD2-NH2 2.65Å; Q533-R638 VanDerWaalsContact OE1-NE 3.14Å; F534-R638 PolarHBondContact O-N 3.46Å; Y535-R638 CarbonylContact C-O 3.5Å; Y535-R638 WeakPolarHBondContact CA-O 3.35Å; Y535-R638 HydrophobicContact CD1-CB 4.19Å; Y535-R638 HydrophobicContact CE1-CB 4.34Å; R536-R638 PolarHBondContact N-O 2.88Å; S580-R638 PolarHBondContact OG-NH2 3.43Å
639Q89.1Confident84.2Confident95 Ų9564.6 Ų64.644%0.44433%0.33SS..EExtended strand (participates in β ladder)trans-81.2128.8173-170169.6-6.500111R224 R536R224-Q639 PolarHBondContact NH2-O 3.01Å; R536-Q639 WeakPolarHBondContact O-CA 3.4Å
640I83.6Confident83.7Confident9 Ų959.1 Ų59.15%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-125.9145.2176.549.9166.4000109.3L506 Y535 R536 L537 L542 F642L506-I640 HydrophobicContact CD1-CD1 4.26Å; Y535-I640 HydrophobicContact CD1-CD1 4.01Å; Y535-I640 HydrophobicContact CD1-CG1 4.23Å; Y535-I640 HydrophobicContact CD1-CG2 3.82Å; Y535-I640 HydrophobicContact CE1-CG2 4.31Å; Y535-I640 HydrophobicContact CG-CD1 4.27Å; R536-I640 PolarHBondContact O-N 3.38Å; L537-I640 HydrophobicContact CB-CD1 4.38Å; L537-I640 HydrophobicContact CB-CG1 4.17Å; L537-I640 HydrophobicContact CD1-CG1 4.38Å; L537-I640 WeakPolarHBondContact CD1-O 3.24Å; L542-I640 HydrophobicContact CD1-CD1 4.4Å; I640-F642 HydrophobicContact CB-CE2 3.74Å; I640-F642 HydrophobicContact CB-CZ 4.13Å; I640-F642 HydrophobicContact CD1-CE2 3.86Å; I640-F642 HydrophobicContact CG1-CE2 4.29Å; I640-F642 HydrophobicContact CG2-CE2 4.19Å; I640-F642 HydrophobicContact CG2-CZ 4.18Å
641D75Confident83.1Confident75 Ų7560.3 Ų60.340%0.40131%0.309SS..  trans-143.4115.5171.5-168.15.7000107.1Y219Y219-D641 HydrophobicContact CD2-CB 3.83Å; Y219-D641 HydrophobicContact CE2-CB 3.23Å; Y219-D641 VanDerWaalsContact CE2-OD2 3.31Å; Y219-D641 WeakPolarHBondContact CE2-OD2 3.38Å; Y219-D641 PolarHBondContact OH-OD2 3.12Å
642F71Confident82.4Confident18 Ų1867.9 Ų67.98%0.07934%0.337CS..  trans-118.8136.3165.8-41.2-84.5000103.5L506 Y507 H509 L510 I640 A646L506-F642 HydrophobicContact CB-CD2 3.82Å; L506-F642 HydrophobicContact CB-CE2 3.61Å; L506-F642 HydrophobicContact CB-CZ 4.3Å; L506-F642 HydrophobicContact CD2-CD2 4.04Å; L506-F642 HydrophobicContact CG-CD2 4.39Å; L506-F642 HydrophobicContact CG-CE2 4.45Å; L506-F642 WeakPolarHBondContact O-CD1 3.36Å; L506-F642 WeakPolarHBondContact O-CE1 3.45Å; Y507-F642 HydrophobicContact CD1-CE1 4.41Å; Y507-F642 AromaticContact CD1-CZ 3.7Å; Y507-F642 HydrophobicContact CD1-CZ 3.7Å; Y507-F642 HydrophobicContact CE1-CZ 4.08Å; H509-F642 HydrophobicContact CB-CB 4.22Å; H509-F642 HydrophobicContact CB-CD1 3.86Å; H509-F642 HydrophobicContact CB-CG 4.37Å; L510-F642 HydrophobicContact CB-CE1 4.22Å; I640-F642 HydrophobicContact CB-CE2 3.74Å; I640-F642 HydrophobicContact CB-CZ 4.13Å; I640-F642 HydrophobicContact CD1-CE2 3.86Å; I640-F642 HydrophobicContact CG1-CE2 4.29Å; I640-F642 HydrophobicContact CG2-CE2 4.19Å; I640-F642 HydrophobicContact CG2-CZ 4.18Å; F642-A646 HydrophobicContact CB-CB 4.05Å; F642-A646 WeakPolarHBondContact O-CB 3.47Å
643S63.2Low81.6Confident93 Ų9365.7 Ų65.765%0.6533%0.328SS*.  trans-44.7-168.3-175.6-171.20000114.9S645 A646S643-S645 PolarHBondContact O-N 3.25Å; S643-A646 PolarHBondContact O-N 2.94Å
644E59.6Low80.8Confident162 Ų16260.4 Ų60.476%0.75730%0.302SS*.Hα-helixtrans-43.3-26.1179.1-65-178.9163.700114.7A646E644-A646 PolarHBondContact O-N 2.99Å
645S70.5Confident79.3Confident36 Ų3660.8 Ų60.825%0.25231%0.307SS..Hα-helixtrans-61.6-29.4173.365.40000116.1H509 S643 I649H509-S645 PolarHBondContact CD2-OG 3.15Å; H509-S645 PolarHBondContact NE2-OG 3.38Å; S643-S645 PolarHBondContact O-N 3.25Å; S645-I649 WeakPolarHBondContact O-CD1 3.38Å; S645-I649 VanDerWaalsContact O-CG1 3.25Å; S645-I649 WeakPolarHBondContact O-CG1 3.42Å; S645-I649 PolarHBondContact O-N 3.43Å; S645-I649 VanDerWaalsContact O-N 3.08Å
646A74.7Confident77.5Confident1 Ų165.9 Ų65.91%0.00833%0.332CS..Hα-helixtrans-66.2-45.3179.700000111.8L506 L537 F642 S643 E644 D648 I649 L650L506-A646 HydrophobicContact CD2-CB 3.85Å; L537-A646 HydrophobicContact CD1-CB 4.42Å; L537-A646 HydrophobicContact CD2-CB 3.96Å; F642-A646 HydrophobicContact CB-CB 4.05Å; F642-A646 WeakPolarHBondContact O-CB 3.47Å; S643-A646 PolarHBondContact O-N 2.94Å; E644-A646 PolarHBondContact O-N 2.99Å; A646-D648 VanDerWaalsContact C-N 3.29Å; A646-D648 PolarHBondContact O-N 2.97Å; A646-I649 PolarHBondContact O-N 3.16Å; A646-I649 VanDerWaalsContact O-N 3.16Å; A646-L650 WeakPolarHBondContact O-CG 3.45Å; A646-L650 PolarHBondContact O-N 3.34Å
647Q78.8Confident75.7Confident147 Ų14770 Ų7069%0.68736%0.357SS*.Hα-helixtrans-62.6-40.7-179.2-66-177.2-1.500110.3L650 Q651Q647-L650 PolarHBondContact O-N 3.15Å; Q647-Q651 VanDerWaalsContact O-CB 3.27Å; Q647-Q651 WeakPolarHBondContact O-CB 3.26Å; Q647-Q651 PolarHBondContact O-N 2.93Å
648D81.9Confident73.5Confident79 Ų7973.4 Ų73.442%0.42238%0.376SS..Hα-helixtrans-60.3-44.5172.9-82.8-6.7000112.8A646 Q651 R652A646-D648 VanDerWaalsContact C-N 3.29Å; A646-D648 PolarHBondContact O-N 2.97Å; D648-Q651 PolarHBondContact O-N 3.08Å; D648-R652 WeakPolarHBondContact O-CB 3.3Å; D648-R652 VanDerWaalsContact O-CG 3.23Å; D648-R652 WeakPolarHBondContact O-CG 3.49Å; D648-R652 PolarHBondContact O-N 3.17Å
649I83.5Confident71.2Confident23 Ų2383.3 Ų83.312%0.11841%0.413CS..Hα-helixtrans-61.5-47.5178-71.5163.3000110.1I502 Q505 L506 S645 A646 R652 A653I502-I649 HydrophobicContact CG2-CG2 4.04Å; Q505-I649 HydrophobicContact CB-CD1 4.26Å; Q505-I649 HydrophobicContact CB-CG2 4.09Å; L506-I649 HydrophobicContact CD2-CB 4.35Å; L506-I649 HydrophobicContact CD2-CD1 4.14Å; L506-I649 HydrophobicContact CD2-CG2 4.23Å; S645-I649 WeakPolarHBondContact O-CD1 3.38Å; S645-I649 VanDerWaalsContact O-CG1 3.25Å; S645-I649 WeakPolarHBondContact O-CG1 3.42Å; S645-I649 PolarHBondContact O-N 3.43Å; S645-I649 VanDerWaalsContact O-N 3.08Å; A646-I649 PolarHBondContact O-N 3.16Å; A646-I649 VanDerWaalsContact O-N 3.16Å; I649-R652 PolarHBondContact O-N 2.92Å; I649-A653 WeakPolarHBondContact O-CB 3.41Å; I649-A653 PolarHBondContact O-N 3.11Å
650L83.6Confident68.8Low5 Ų584.1 Ų84.13%0.02643%0.425CS..Hα-helixtrans-67-40.9179.7-65.5-177.1000111.9Y498 I502 L537 L542 A646 Q647 R652 A653 K654Y498-L650 HydrophobicContact CD2-CD2 4.15Å; Y498-L650 HydrophobicContact CE1-CD2 4.34Å; Y498-L650 HydrophobicContact CE2-CD2 3.77Å; I502-L650 HydrophobicContact CG2-CD2 3.83Å; L537-L650 HydrophobicContact CD2-CD1 3.46Å; L537-L650 VanDerWaalsContact CD2-CD1 3.46Å; L542-L650 HydrophobicContact CD1-CD1 4.35Å; A646-L650 WeakPolarHBondContact O-CG 3.45Å; A646-L650 PolarHBondContact O-N 3.34Å; Q647-L650 PolarHBondContact O-N 3.15Å; L650-R652 VanDerWaalsContact C-N 3.35Å; L650-R652 PolarHBondContact O-N 3.02Å; L650-A653 WeakPolarHBondContact O-CB 3.48Å; L650-A653 PolarHBondContact O-N 2.88Å; L650-A653 VanDerWaalsContact O-N 3.16Å; L650-K654 WeakPolarHBondContact O-CG 3.45Å; L650-K654 PolarHBondContact O-N 3.13Å
651Q82.3Confident66.7Low127 Ų12788.6 Ų88.659%0.59346%0.457SS*.Hα-helixtrans-65.4-38.3177.8-167.1177.222.900112Q647 D648 K654 S655Q647-Q651 VanDerWaalsContact O-CB 3.27Å; Q647-Q651 WeakPolarHBondContact O-CB 3.26Å; Q647-Q651 PolarHBondContact O-N 2.93Å; D648-Q651 PolarHBondContact O-N 3.08Å; Q651-K654 PolarHBondContact O-N 3.36Å; Q651-S655 PolarHBondContact O-N 3.42Å; Q651-S655 VanDerWaalsContact O-N 3.08Å; Q651-S655 PolarHBondContact O-OG 3.08Å
652R80.9Confident65.2Low170 Ų17093.8 Ų93.864%0.64248%0.479SS*.Hα-helixtrans-64.5-40.8171.5-72.1174.7-165.2-176.18.1111.4D648 I649 L650 S655 I656D648-R652 WeakPolarHBondContact O-CB 3.3Å; D648-R652 VanDerWaalsContact O-CG 3.23Å; D648-R652 WeakPolarHBondContact O-CG 3.49Å; D648-R652 PolarHBondContact O-N 3.17Å; I649-R652 PolarHBondContact O-N 2.92Å; L650-R652 VanDerWaalsContact C-N 3.35Å; L650-R652 PolarHBondContact O-N 3.02Å; R652-S655 WeakPolarHBondContact O-CB 3.43Å; R652-S655 PolarHBondContact O-N 3.19Å; R652-S655 VanDerWaalsContact O-N 3.15Å; R652-I656 WeakPolarHBondContact O-CG1 3.49Å; R652-I656 PolarHBondContact O-N 3.41Å
653A77.9Confident64.2Low7 Ų7103.5 Ų103.56%0.05852%0.515CS..Hα-helixtrans-61.4-46.717600000111.6Y498 I502 I649 L650 S655 I656 T657Y498-A653 HydrophobicContact CD1-CB 3.97Å; Y498-A653 HydrophobicContact CE1-CB 3.89Å; I502-A653 HydrophobicContact CD1-CB 3.75Å; I502-A653 HydrophobicContact CG1-CB 4.09Å; I649-A653 WeakPolarHBondContact O-CB 3.41Å; I649-A653 PolarHBondContact O-N 3.11Å; L650-A653 WeakPolarHBondContact O-CB 3.48Å; L650-A653 PolarHBondContact O-N 2.88Å; L650-A653 VanDerWaalsContact O-N 3.16Å; A653-S655 PolarHBondContact O-N 2.98Å; A653-I656 PolarHBondContact O-N 3.1Å; A653-T657 PolarHBondContact O-N 2.87Å
654K76.2Confident63.6Low76 Ų76108 Ų10833%0.3352%0.517SS..Hα-helixtrans-59-28.1173.7-68.5179.8-173-177.90112.7Y498 E540 L650 Q651 T657Y498-K654 HydrophobicContact CE1-CG 4.29Å; Y498-K654 WeakPolarHBondContact OH-CE 3.46Å; E540-K654 IonicContact OE1-NZ 3.11Å; E540-K654 PolarHBondContact OE1-NZ 3.32Å; E540-K654 IonicContact OE2-NZ 2.8Å; L650-K654 WeakPolarHBondContact O-CG 3.45Å; L650-K654 PolarHBondContact O-N 3.13Å; Q651-K654 PolarHBondContact O-N 3.36Å; K654-T657 PolarHBondContact O-OG1 3.32Å
655S62.8Low63.6Low64 Ų64104.4 Ų104.445%0.44850%0.503SS..Hα-helixtrans-81.9-33.1179.1-59.60000113.5Q651 R652 A653 N658Q651-S655 PolarHBondContact O-N 3.42Å; Q651-S655 VanDerWaalsContact O-N 3.08Å; Q651-S655 PolarHBondContact O-OG 3.08Å; R652-S655 WeakPolarHBondContact O-CB 3.43Å; R652-S655 PolarHBondContact O-N 3.19Å; R652-S655 VanDerWaalsContact O-N 3.15Å; A653-S655 PolarHBondContact O-N 2.98Å; S655-N658 PolarHBondContact O-N 3.37Å
656I57.6Low63.3Low118 Ų118104.3 Ų104.361%0.60550%0.5SS*.Hα-helixtrans-70.9-38-179.5-69.9165.2000110.8R652 A653 N658 R659R652-I656 WeakPolarHBondContact O-CG1 3.49Å; R652-I656 PolarHBondContact O-N 3.41Å; A653-I656 PolarHBondContact O-N 3.1Å; I656-N658 PolarHBondContact O-N 3.49Å; I656-N658 VanDerWaalsContact O-N 3.15Å; I656-R659 PolarHBondContact O-N 3.37Å; I656-R659 VanDerWaalsContact O-N 3.16Å
657T54.9Low62.7Low90 Ų90104.4 Ų104.455%0.55250%0.501SS*.THydrogen-bonded Turntrans-58.7-26.1177.847.60000112.8A653 K654A653-T657 PolarHBondContact O-N 2.87Å; K654-T657 PolarHBondContact O-OG1 3.32Å
658N46.2Very low61.8Low137 Ų137101.5 Ų101.573%0.73349%0.49SS*.THydrogen-bonded Turntrans-87.9-9.8-178.4-66-11.7000114.5S655 I656S655-N658 PolarHBondContact O-N 3.37Å; I656-N658 PolarHBondContact O-N 3.49Å; I656-N658 VanDerWaalsContact O-N 3.15Å
659R41.7Very low60Low217 Ų217102.5 Ų102.582%0.81950%0.499SS*.  trans-108.210.4-169.6-74.1-170178.4-172.71.4115.7I656 S661I656-R659 PolarHBondContact O-N 3.37Å; I656-R659 VanDerWaalsContact O-N 3.16Å; R659-S661 PolarHBondContact O-N 3.18Å; R659-S661 VanDerWaalsContact O-N 3.14Å
660T38.9Very low57.7Low113 Ų113111.6 Ų111.669%0.69353%0.532SS*.  trans-74.72.4-173.936.80000115.6
661S39.9Very low55.1Low102 Ų102116 Ų11671%0.71357%0.568SS**SBendtrans-98.2132.3-178-1630000112.8R659R659-S661 PolarHBondContact O-N 3.18Å; R659-S661 VanDerWaalsContact O-N 3.14Å
662Q42.9Very low52.5Low185 Ų185116.7 Ų116.786%0.86458%0.576SS**  trans80.476.4173-52.6-177.2-1300117.5
663R50.6Low49.9Very low222 Ų222114 Ų11484%0.83858%0.583SS**PPolyproline II helixtrans-85.3130.1153.2-77.8-173.8176.3167.81.9109.7
664R50.9Low47.4Very low186 Ų186121.3 Ų121.370%0.70262%0.621SS**PPolyproline II helixtrans-67.1136.1175.2-174.2-177.5-71175.1-3.5109.8
665I58.2Low44.9Very low88 Ų88124 Ų12445%0.45164%0.644SS.*PPolyproline II helixtrans-95.7129174.8-53.9178.6000107.2L667 V669 E935I665-L667 WeakPolarHBondContact CG2-O 3.16Å; I665-V669 WeakPolarHBondContact O-CG2 3.44Å; I665-E935 HydrophobicContact CG2-CG 4.23Å; I665-E935 WeakPolarHBondContact CG2-OE1 3.3Å
666T65.2Low43Very low33 Ų33124.2 Ų124.220%0.20266%0.656CS.*  trans-94.5-38.5-177.6-37.70000111.2I921 D922 A927 L932 E935T666-I921 HydrophobicContact CG2-CG2 4.35Å; T666-D922 HydrophobicContact CG2-CB 3.83Å; T666-A927 HydrophobicContact CG2-CB 4.35Å; T666-L932 HydrophobicContact CG2-CD2 4.2Å; T666-E935 WeakPolarHBondContact CA-OE2 3.22Å; T666-E935 WeakPolarHBondContact CB-OE2 3.31Å; T666-E935 VanDerWaalsContact N-CD 3.27Å; T666-E935 PolarHBondContact N-OE1 2.72Å; T666-E935 PolarHBondContact N-OE2 2.96Å; T666-E935 PolarHBondContact OG1-OE2 3.36Å
667L61.2Low41.4Very low4 Ų4125.9 Ų125.92%0.02167%0.666CS.*THydrogen-bonded Turntrans-82.3141.9174.5-61166.2000109.1I665 V669 L893 I921 L932 E935 V936I665-L667 WeakPolarHBondContact CG2-O 3.16Å; L667-V669 VanDerWaalsContact C-N 3.32Å; L667-V669 PolarHBondContact O-N 3.46Å; L667-L893 HydrophobicContact CD2-CD1 4.31Å; L667-L893 HydrophobicContact CD2-CD2 4.09Å; L667-L893 HydrophobicContact CD2-CG 3.82Å; L667-I921 HydrophobicContact CD2-CD1 4.3Å; L667-L932 HydrophobicContact CD1-CB 4.32Å; L667-L932 HydrophobicContact CD1-CD2 4.22Å; L667-L932 HydrophobicContact CD2-CD2 4.07Å; L667-L932 HydrophobicContact CG-CD2 3.91Å; L667-E935 VanDerWaalsContact CB-OE1 3.27Å; L667-E935 WeakPolarHBondContact CB-OE1 3.2Å; L667-E935 PolarHBondContact N-OE1 3.04Å; L667-V936 HydrophobicContact CD1-CG2 3.68Å
668N61Low39.9Very low85 Ų85130.4 Ų130.446%0.45568%0.681SS.*THydrogen-bonded Turntrans70.617-176.4-51.28.5000115.4R670 Q902N668-R670 PolarHBondContact O-N 3.05Å; N668-Q902 PolarHBondContact OD1-NE2 3.41Å
669V44.3Very low38.8Very low100 Ų100130.4 Ų130.461%0.60668%0.681SS**  trans-70.6103.9160.9-177.70000107I665 L667 A671I665-V669 WeakPolarHBondContact O-CG2 3.44Å; L667-V669 VanDerWaalsContact C-N 3.32Å; L667-V669 PolarHBondContact O-N 3.46Å; V669-A671 PolarHBondContact O-N 2.99Å
670R34.3Very low37.9Very low215 Ų215128.5 Ų128.581%0.81168%0.681SS**  trans-52.9114.8161.6-137.9176.2-168.6166.91.9105.4N668 D672N668-R670 PolarHBondContact O-N 3.05Å; R670-D672 PolarHBondContact O-N 3.24Å
671A29.7Very low37Very low97 Ų97132.1 Ų132.180%0.80269%0.687SS**  trans-64.588.1170.600000107V669 S673V669-A671 PolarHBondContact O-N 2.99Å; A671-S673 PolarHBondContact O-N 3.41Å; A671-S673 VanDerWaalsContact O-N 3.17Å
672D26.8Very low36.1Very low142 Ų142133 Ų13376%0.75969%0.689SS**  trans-60.6113.9165.3-76.1-24.4000106.8R670R670-D672 PolarHBondContact O-N 3.24Å
673S25.9Very low35Very low112 Ų112131 Ų13178%0.78369%0.689SS**  trans166.263.7149.4-73.80000111A671A671-S673 PolarHBondContact O-N 3.41Å; A671-S673 VanDerWaalsContact O-N 3.17Å
674L25.4Very low33.6Very low161 Ų161125.4 Ų125.484%0.84368%0.684SS**SBendtrans-131.887.1154-77.1172.1000108
675T24.2Very low32.3Very low133 Ų133122.6 Ų122.682%0.81669%0.69SS**  trans49.5115.1137.659.80000119.1
676G23.5Very low30.6Very low69 Ų69121.7 Ų121.771%0.71170%0.702SS**  trans74139.515900000113.2
677D24.8Very low28.5Very low152 Ų152127.6 Ų127.681%0.81373%0.733SS**  cis-150.1146.818.4-84.2-38.4000107.4N679D677-N679 PolarHBondContact O-N 3.41Å; D677-N679 VanDerWaalsContact O-N 3.11Å
678E21.6Very low26.7Very low185 Ų185132.4 Ų132.486%0.86477%0.766SS**  trans-59.1110.7163.3-62.4-169.1149.600108.9
679N24.5Very low24.8Very low137 Ų137136.9 Ų136.973%0.73379%0.787SS**  trans-138102.5161.9-94.7-38000110.1D677 F681D677-N679 PolarHBondContact O-N 3.41Å; D677-N679 VanDerWaalsContact O-N 3.11Å; N679-F681 PolarHBondContact O-N 2.78Å; N679-F681 VanDerWaalsContact O-N 3.12Å
680H21.6Very low23.6Very low178 Ų178140.2 Ų140.282%0.82480%0.8SS**  trans-45.3108.7161.5-74.5-82.6000110.9
681F20.5Very low23.1Very low188 Ų188136.1 Ų136.183%0.82580%0.799SS**  trans-116.399.9159-106.5-87.7000109.3N679 V683N679-F681 PolarHBondContact O-N 2.78Å; N679-F681 VanDerWaalsContact O-N 3.12Å; F681-V683 PolarHBondContact O-N 2.95Å
682T21Very low22.7Very low122 Ų122134 Ų13475%0.74879%0.787SS**  trans-57.6118.7167.941.50000110.3S684T682-S684 PolarHBondContact O-N 2.77Å
683V20.5Very low22.3Very low142 Ų142129.3 Ų129.386%0.86177%0.772SS**  trans-78.3112.4174.8178.20000108.4F681F681-V683 PolarHBondContact O-N 2.95Å
684S21Very low22.1Very low104 Ų104126.9 Ų126.973%0.72776%0.764SS**  trans-99.8136.4165-70.70000109.5T682 G686T682-S684 PolarHBondContact O-N 2.77Å; S684-G686 PolarHBondContact O-N 3.22Å
685P22.7Very low21.9Very low127 Ų127126.9 Ų126.983%0.82576%0.763SS**  trans-80.3105.7-172.632.2-31.5000109.7
686G22.5Very low21.8Very low69 Ų69124.9 Ų124.971%0.71176%0.755SS**  trans-91.6113.6171.900000110.5S684 S688S684-G686 PolarHBondContact O-N 3.22Å; G686-S688 PolarHBondContact O-N 2.7Å
687D21.4Very low21.8Very low158 Ų158127.3 Ų127.385%0.84576%0.758SS**  trans-45119.5168.7-73.5-46.2000111.9
688S23.4Very low22Very low104 Ų104125 Ų12573%0.72775%0.749SS**  trans-150.799.5160.6-74.80000108.8G686 L690G686-S688 PolarHBondContact O-N 2.7Å; S688-L690 PolarHBondContact O-N 2.71Å
689M20.5Very low22.2Very low179 Ų179120.5 Ų120.588%0.88273%0.734SS**  trans-44.594.1167.3-67.4-98.5140.400110.9T691M689-T691 PolarHBondContact O-N 3.02Å
690L21Very low22.4Very low171 Ų171119.1 Ų119.190%0.89573%0.733SS**  trans-83.892.7166.1-73.3175.9000108S688 G692S688-L690 PolarHBondContact O-N 2.71Å; L690-G692 PolarHBondContact O-N 2.93Å
691T22.2Very low23Very low129 Ų129117.9 Ų117.979%0.79173%0.727SS**  trans-52.5118.617050.60000110.5M689M689-T691 PolarHBondContact O-N 3.02Å
692G21Very low23.8Very low52 Ų52113.6 Ų113.654%0.53671%0.713SS.*  trans38.1109.7150.800000117.7L690 G694L690-G692 PolarHBondContact O-N 2.93Å; G692-G694 VanDerWaalsContact C-N 3.25Å; G692-G694 PolarHBondContact O-N 3.21Å
693G20.1Very low24.9Very low44 Ų44111.8 Ų111.845%0.45470%0.698SS.*  trans-53.686.7159.900000111.9R599R599-G693 VanDerWaalsContact NH2-N 3.16Å; R599-G693 PolarHBondContact NH2-O 2.89Å
694G20Very low26.7Very low60 Ų60107.5 Ų107.562%0.61968%0.675SS**SBendtrans-88.1133.5131.100000105.5G692 S696G692-G694 VanDerWaalsContact C-N 3.25Å; G692-G694 PolarHBondContact O-N 3.21Å; G694-S696 PolarHBondContact O-N 3.16Å
695I23.1Very low28.8Very low161 Ų161105 Ų10583%0.82665%0.651SS**  trans-47108.8179.9-64.5164.5000108.1V698I695-V698 HydrophobicContact CG2-CG2 4.15Å
696S21.6Very low30.8Very low92 Ų92100.7 Ų100.764%0.64362%0.62SS**  trans-50.8137.9173.8-170.80000107.7G694 V698G694-S696 PolarHBondContact O-N 3.16Å; S696-V698 VanDerWaalsContact C-N 3.34Å; S696-V698 WeakPolarHBondContact O-CG2 3.24Å; S696-V698 PolarHBondContact O-N 2.9Å
697P24.2Very low32.9Very low120 Ų120101.1 Ų101.178%0.77960%0.6SS**  trans-57.699.7-176.824.4-33.8000108.9V699P697-V699 PolarHBondContact O-N 3.48Å
698V26.9Very low35.1Very low102 Ų10298.8 Ų98.862%0.61858%0.584SS**  trans-60.6128.1-179175.30000107.3I695 S696I695-V698 HydrophobicContact CG2-CG2 4.15Å; S696-V698 VanDerWaalsContact C-N 3.34Å; S696-V698 WeakPolarHBondContact O-CG2 3.24Å; S696-V698 PolarHBondContact O-N 2.9Å
699V26.5Very low37.3Very low91 Ų9194 Ų9455%0.55255%0.55SS*.  trans-46.1118.6-176.7-179.40000110P697 E701 L702P697-V699 PolarHBondContact O-N 3.48Å; V699-E701 HydrophobicContact CG1-CB 4.15Å; V699-E701 PolarHBondContact O-N 2.77Å; V699-L702 PolarHBondContact O-N 2.95Å
700P29.6Very low39.7Very low108 Ų10885.5 Ų85.570%0.70151%0.508SS*.Hα-helixtrans-57.8-20.1-176.4-25.432.5000114.8S704P700-S704 WeakPolarHBondContact O-CB 3.26Å; P700-S704 PolarHBondContact O-N 3.37Å
701E33.7Very low42.1Very low152 Ų15279.4 Ų79.471%0.7147%0.473SS*.Hα-helixtrans-70.5-35.2-177.7-73.9-175.115100113.6V699 S704 F705V699-E701 HydrophobicContact CG1-CB 4.15Å; V699-E701 PolarHBondContact O-N 2.77Å; E701-S704 VanDerWaalsContact O-CB 3.27Å; E701-S704 WeakPolarHBondContact O-CB 3.42Å; E701-S704 PolarHBondContact O-N 2.78Å; E701-S704 PolarHBondContact O-OG 3.38Å; E701-F705 PolarHBondContact O-N 2.92Å
702L36.3Very low44.5Very low98 Ų9878.6 Ų78.651%0.51346%0.456SS..Hα-helixtrans-68.9-45.6-175.5-150.682.2000111.1V699 S704 F705 E706V699-L702 PolarHBondContact O-N 2.95Å; L702-S704 PolarHBondContact O-N 3.25Å; L702-F705 PolarHBondContact O-N 3.39Å; L702-E706 PolarHBondContact O-N 3.02Å
703D45.1Very low47.5Very low84 Ų8478.6 Ų78.645%0.44944%0.441SS..Hα-helixtrans-64.3-28.3175.5-126.517.7000111.3R707D703-R707 WeakPolarHBondContact O-CB 3.36Å; D703-R707 PolarHBondContact O-N 2.8Å; D703-R707 VanDerWaalsContact O-N 3.14Å
704S58.2Low50.8Low53 Ų5376.7 Ų76.737%0.37142%0.421SS..Hα-helixtrans-65.8-47.4175.3129.30000111.3P700 E701 L702 H708P700-S704 WeakPolarHBondContact O-CB 3.26Å; P700-S704 PolarHBondContact O-N 3.37Å; E701-S704 VanDerWaalsContact O-CB 3.27Å; E701-S704 WeakPolarHBondContact O-CB 3.42Å; E701-S704 PolarHBondContact O-N 2.78Å; E701-S704 PolarHBondContact O-OG 3.38Å; L702-S704 PolarHBondContact O-N 3.25Å; S704-H708 PolarHBondContact O-N 3.5Å; S704-H708 PolarHBondContact O-ND1 3.03Å
705F65.8Low54Low52 Ų5279.7 Ų79.723%0.22842%0.42CS..Hα-helixtrans-63.4-51.5-177.3178.2-94000111.7E701 L702 R707 H708 T709 W880 E901E701-F705 PolarHBondContact O-N 2.92Å; L702-F705 PolarHBondContact O-N 3.39Å; F705-R707 VanDerWaalsContact C-N 3.33Å; F705-R707 PolarHBondContact O-N 3Å; F705-H708 PolarHBondContact O-N 2.8Å; F705-T709 HydrophobicContact CD2-CG2 4.25Å; F705-T709 HydrophobicContact CE1-CG2 4.32Å; F705-T709 HydrophobicContact CE2-CG2 3.85Å; F705-T709 HydrophobicContact CZ-CG2 3.89Å; F705-T709 WeakPolarHBondContact O-CG2 3.31Å; F705-T709 PolarHBondContact O-N 2.85Å; F705-T709 PolarHBondContact O-OG1 3.45Å; F705-W880 HydrophobicContact CZ-CZ2 4.47Å; F705-E901 HydrophobicContact CE1-CB 3.74Å; F705-E901 HydrophobicContact CE1-CG 4.25Å; F705-E901 HydrophobicContact CZ-CB 3.99Å; F705-E901 HydrophobicContact CZ-CG 3.97Å
706E64.7Low57Low35 Ų3574.3 Ų74.316%0.16440%0.399CS..Hα-helixtrans-58.7-48.1-179.2-57.5-165.3162.700110.5L702 H708 T709 M710 A900L702-E706 PolarHBondContact O-N 3.02Å; E706-H708 PolarHBondContact O-N 3.39Å; E706-T709 PolarHBondContact O-OG1 3.32Å; E706-M710 WeakPolarHBondContact O-CB 3.39Å; E706-M710 WeakPolarHBondContact O-CG 3.35Å; E706-M710 PolarHBondContact O-N 3.17Å; E706-A900 HydrophobicContact CB-CB 4.36Å; E706-A900 HydrophobicContact CG-CB 3.57Å; E706-A900 WeakPolarHBondContact OE1-CB 3.4Å
707R65.8Low60.4Low78 Ų7869.9 Ų69.929%0.29437%0.369SS..Hα-helixtrans-65.6-39.2-176.4-169173.6-174.8-175.3-4.6112.9D703 F705 R711 D1064 Y1067D703-R707 WeakPolarHBondContact O-CB 3.36Å; D703-R707 PolarHBondContact O-N 2.8Å; D703-R707 VanDerWaalsContact O-N 3.14Å; F705-R707 VanDerWaalsContact C-N 3.33Å; F705-R707 PolarHBondContact O-N 3Å; R707-R711 WeakPolarHBondContact O-CD 3.35Å; R707-R711 WeakPolarHBondContact O-CG 3.36Å; R707-D1064 IonicContact CZ-OD1 3.9Å; R707-D1064 IonicContact NE-OD1 2.79Å; R707-D1064 PolarHBondContact NE-OD1 2.9Å; R707-D1064 IonicContact NH2-OD1 3.43Å; R707-D1064 PolarHBondContact NH2-OD1 2.83Å; R707-Y1067 HydrophobicContact CB-CE1 4.42Å; R707-Y1067 HydrophobicContact CG-CD1 4.2Å; R707-Y1067 HydrophobicContact CG-CE1 4.05Å
708H68.6Low63.6Low109 Ų10965 Ų6551%0.50534%0.339SS..Hα-helixtrans-73.5-39.2-178.5-72.192.9000112.8S704 F705 E706S704-H708 PolarHBondContact O-N 3.5Å; S704-H708 PolarHBondContact O-ND1 3.03Å; F705-H708 PolarHBondContact O-N 2.8Å; E706-H708 PolarHBondContact O-N 3.39Å
709T69.4Low66.6Low3 Ų364.9 Ų64.92%0.01833%0.331CS..Hα-helixtrans-79.7-34.4-176.254.70000112.8F705 E706 E904F705-T709 HydrophobicContact CD2-CG2 4.25Å; F705-T709 HydrophobicContact CE1-CG2 4.32Å; F705-T709 HydrophobicContact CE2-CG2 3.85Å; F705-T709 HydrophobicContact CZ-CG2 3.89Å; F705-T709 WeakPolarHBondContact O-CG2 3.31Å; F705-T709 PolarHBondContact O-N 2.85Å; F705-T709 PolarHBondContact O-OG1 3.45Å; E706-T709 PolarHBondContact O-OG1 3.32Å; T709-E904 VanDerWaalsContact CB-CD 3.49Å; T709-E904 WeakPolarHBondContact CB-OE1 3.45Å; T709-E904 WeakPolarHBondContact CB-OE2 3.44Å; T709-E904 WeakPolarHBondContact CG2-OE2 3.38Å; T709-E904 PolarHBondContact OG1-OE2 2.89Å
710M70.1Confident69.6Low2 Ų261.2 Ų61.21%0.0131%0.31CS..Hα-helixtrans-90-12.2-172.5-64.9-61.6-125.400115.3E706 R712 K713 V903 E904 F947 L948 Y951 Y1067E706-M710 WeakPolarHBondContact O-CB 3.39Å; E706-M710 WeakPolarHBondContact O-CG 3.35Å; E706-M710 PolarHBondContact O-N 3.17Å; M710-R712 VanDerWaalsContact C-N 3.27Å; M710-R712 PolarHBondContact O-N 3.43Å; M710-K713 WeakPolarHBondContact O-CG 3.41Å; M710-K713 WeakPolarHBondContact SD-CE 3.31Å; M710-K713 HydrophobicContact SD-CG 4.46Å; M710-V903 HydrophobicContact CE-CG1 4.15Å; M710-E904 HydrophobicContact CE-CG 4.3Å; M710-E904 HydrophobicContact SD-CG 3.85Å; M710-F947 HydrophobicContact CB-CD1 4.18Å; M710-F947 HydrophobicContact CB-CE1 3.54Å; M710-F947 HydrophobicContact CB-CE2 4.28Å; M710-F947 HydrophobicContact CB-CZ 3.58Å; M710-F947 HydrophobicContact CE-CD1 3.81Å; M710-F947 HydrophobicContact CE-CE1 3.4Å; M710-F947 VanDerWaalsContact CE-CE1 3.4Å; M710-F947 HydrophobicContact CG-CD1 4.23Å; M710-F947 HydrophobicContact CG-CE1 3.73Å; M710-F947 HydrophobicContact CG-CZ 4.28Å; M710-F947 WeakPolarHBondContact O-CZ 3.41Å; M710-F947 HydrophobicContact SD-CD1 4.45Å; M710-F947 HydrophobicContact SD-CE1 3.62Å; M710-F947 HydrophobicContact SD-CZ 4.3Å; M710-L948 HydrophobicContact CE-CD2 3.41Å; M710-L948 VanDerWaalsContact CE-CD2 3.41Å; M710-Y951 HydrophobicContact CE-CD1 3.79Å; M710-Y951 HydrophobicContact CE-CE1 4.21Å; M710-Y1067 HydrophobicContact CB-CD2 4.23Å; M710-Y1067 HydrophobicContact CB-CE2 3.97Å
711R70.4Confident72.5Confident43 Ų4356 Ų5616%0.16228%0.277CS..THydrogen-bonded Turntrans-60.4-30.9178.7-93.4169-177.6165.30.6114.1R707 E1063 D1064 Y1067R707-R711 WeakPolarHBondContact O-CD 3.35Å; R707-R711 WeakPolarHBondContact O-CG 3.36Å; R711-E1063 HydrophobicContact CB-CB 4.15Å; R711-E1063 HydrophobicContact CG-CB 4.22Å; R711-D1064 IonicContact CZ-OD1 3.96Å; R711-D1064 IonicContact CZ-OD2 3.04Å; R711-D1064 IonicContact NE-OD1 2.86Å; R711-D1064 PolarHBondContact NE-OD1 3.47Å; R711-D1064 IonicContact NH2-OD1 2.68Å; R711-D1064 PolarHBondContact NH2-OD1 3.36Å; R711-D1064 IonicContact NH2-OD2 2.81Å; R711-Y1067 HydrophobicContact CG-CG 4.34Å
712R74Confident75.2Confident111 Ų11150.3 Ų50.342%0.41925%0.253SS..THydrogen-bonded Turntrans-104.843.2-170.5-64.2-176.3178.6166.45.5113.7M710 M715 D876 E1063M710-R712 VanDerWaalsContact C-N 3.27Å; M710-R712 PolarHBondContact O-N 3.43Å; R712-M715 HydrophobicContact CB-SD 4.32Å; R712-D876 IonicContact CZ-OD1 3.56Å; R712-D876 IonicContact NH1-OD1 2.71Å; R712-D876 PolarHBondContact NH1-OD1 3.33Å; R712-D876 IonicContact NH2-OD1 3.89Å; R712-E1063 IonicContact CZ-OE1 3.57Å; R712-E1063 IonicContact NE-OE1 3.95Å; R712-E1063 PolarHBondContact NE-OE1 3.18Å; R712-E1063 IonicContact NE-OE2 3.99Å; R712-E1063 IonicContact NH2-OE1 3.75Å
713K82.8Confident77.5Confident53 Ų5350.5 Ų50.523%0.2325%0.254CS..SBendtrans-97.1-20.4-179.3-61.7-61.9-178.6-171.90114.6M710 E904 F947 Y951 L1012M710-K713 WeakPolarHBondContact O-CG 3.41Å; M710-K713 WeakPolarHBondContact SD-CE 3.31Å; M710-K713 HydrophobicContact SD-CG 4.46Å; K713-E904 WeakPolarHBondContact CE-OE1 3.19Å; K713-E904 IonicContact NZ-OE1 2.96Å; K713-E904 PolarHBondContact NZ-OE1 3.28Å; K713-F947 HydrophobicContact CG-CZ 4.28Å; K713-Y951 HydrophobicContact CD-CE2 4.42Å; K713-L1012 HydrophobicContact CB-CD1 3.65Å; K713-L1012 HydrophobicContact CG-CD1 4.46Å
714S89.2Confident79.2Confident3 Ų347.6 Ų47.62%0.02124%0.239CC..  trans-123.974.6-178.9-174.70000111L717 A718 D1010S714-L717 WeakPolarHBondContact OG-CB 3.47Å; S714-A718 WeakPolarHBondContact O-CB 3.24Å; S714-A718 PolarHBondContact O-N 3.46Å; S714-D1010 WeakPolarHBondContact CA-OD2 3.48Å; S714-D1010 VanDerWaalsContact CB-OD2 3.24Å; S714-D1010 WeakPolarHBondContact CB-OD2 3.37Å; S714-D1010 PolarHBondContact OG-OD2 3Å
715M87.7Confident80.3Confident124 Ų12446.4 Ų46.461%0.61123%0.228SC*.Hα-helixtrans-67.6-37.3-173.3-67.2-62.5-66.300113R712 A718 H719R712-M715 HydrophobicContact CB-SD 4.32Å; M715-A718 PolarHBondContact O-N 3.39Å; M715-H719 WeakPolarHBondContact O-CB 3.44Å; M715-H719 PolarHBondContact O-N 2.76Å
716A87.3Confident80.3Confident47 Ų4750.7 Ų50.739%0.38825%0.247SC..Hα-helixtrans-65.7-44179.100000111.6A720 L981A716-A720 PolarHBondContact O-N 2.68Å; A716-A720 VanDerWaalsContact O-N 3.09Å; A716-L981 HydrophobicContact CB-CD1 4.32Å
717L92Very high79.8Confident0 Ų051.4 Ų51.40%025%0.252CS..Hα-helixtrans-66.9-41.7174.4-173.966.2000111.3S714 H719 A720 V721 L981 M1013 I1047 Q1048 L1066 F1070S714-L717 WeakPolarHBondContact OG-CB 3.47Å; L717-H719 VanDerWaalsContact C-N 3.32Å; L717-H719 PolarHBondContact O-N 3.38Å; L717-A720 PolarHBondContact O-N 3.34Å; L717-A720 VanDerWaalsContact O-N 3.13Å; L717-V721 HydrophobicContact CD1-CG2 4.18Å; L717-V721 HydrophobicContact CG-CG2 4.15Å; L717-V721 VanDerWaalsContact O-CG2 3.31Å; L717-V721 WeakPolarHBondContact O-CG2 3.44Å; L717-V721 PolarHBondContact O-N 3.01Å; L717-L981 HydrophobicContact CB-CD1 4.44Å; L717-L981 HydrophobicContact CD1-CD1 4.36Å; L717-L981 HydrophobicContact CD1-CD2 4.16Å; L717-M1013 HydrophobicContact CB-SD 4.38Å; L717-M1013 HydrophobicContact CD1-CE 4.46Å; L717-M1013 HydrophobicContact CD1-SD 4.16Å; L717-M1013 HydrophobicContact CD2-SD 3.67Å; L717-M1013 HydrophobicContact CG-SD 4.28Å; L717-I1047 HydrophobicContact CD1-CG2 4.25Å; L717-I1047 HydrophobicContact CD2-CG2 4Å; L717-Q1048 HydrophobicContact CD1-CB 3.98Å; L717-L1066 HydrophobicContact CD2-CD2 3.42Å; L717-L1066 VanDerWaalsContact CD2-CD2 3.42Å; L717-L1066 HydrophobicContact CG-CD2 3.8Å; L717-F1070 HydrophobicContact CD2-CE2 4.44Å; L717-F1070 HydrophobicContact CD2-CZ 3.87Å
718A91.4Very high78.8Confident18 Ų1852.9 Ų52.915%0.14926%0.257CS..Hα-helixtrans-57.7-45.1176.200000112.1S714 M715 A720 S722 V1062 L1066S714-A718 WeakPolarHBondContact O-CB 3.24Å; S714-A718 PolarHBondContact O-N 3.46Å; M715-A718 PolarHBondContact O-N 3.39Å; A718-A720 PolarHBondContact O-N 2.88Å; A718-S722 WeakPolarHBondContact O-CB 3.17Å; A718-S722 PolarHBondContact O-N 2.87Å; A718-V1062 HydrophobicContact CB-CG1 4.1Å; A718-V1062 WeakPolarHBondContact O-CG1 3.39Å; A718-L1066 HydrophobicContact CB-CD1 3.58Å
719H90.6Very high77.2Confident99 Ų9953.5 Ų53.546%0.45826%0.264SS..Hα-helixtrans-61.2-44.6174.8-177.3-94.6000111.8M715 L717 S722 L723M715-H719 WeakPolarHBondContact O-CB 3.44Å; M715-H719 PolarHBondContact O-N 2.76Å; L717-H719 VanDerWaalsContact C-N 3.32Å; L717-H719 PolarHBondContact O-N 3.38Å; H719-S722 WeakPolarHBondContact O-CB 3.36Å; H719-S722 PolarHBondContact O-N 3.1Å; H719-L723 VanDerWaalsContact CE1-CD1 3.44Å; H719-L723 WeakPolarHBondContact CE1-CD1 3.43Å; H719-L723 WeakPolarHBondContact O-CG 3.47Å; H719-L723 PolarHBondContact O-N 3.23Å
720A89.4Confident75.2Confident13 Ų1357.9 Ų57.911%0.10729%0.291CS..Hα-helixtrans-63.3-46.6179.200000112.7A716 L717 A718 S722 L723 D724 L981 Q1048A716-A720 PolarHBondContact O-N 2.68Å; A716-A720 VanDerWaalsContact O-N 3.09Å; L717-A720 PolarHBondContact O-N 3.34Å; L717-A720 VanDerWaalsContact O-N 3.13Å; A718-A720 PolarHBondContact O-N 2.88Å; A720-S722 VanDerWaalsContact C-N 3.34Å; A720-S722 PolarHBondContact O-N 2.8Å; A720-L723 PolarHBondContact O-N 3.26Å; A720-D724 PolarHBondContact O-N 3.23Å; A720-D724 VanDerWaalsContact O-N 3.13Å; A720-L981 HydrophobicContact CB-CD1 4.46Å; A720-Q1048 HydrophobicContact CB-CG 4.19Å; A720-Q1048 PolarHBondContact O-NE2 3.42Å
721V90.8Very high73.2Confident0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-65.3-38.4176.51750000111.3L717 D724 L725 Q1048 A1051 A1052 V1062 L1066L717-V721 HydrophobicContact CD1-CG2 4.18Å; L717-V721 HydrophobicContact CG-CG2 4.15Å; L717-V721 VanDerWaalsContact O-CG2 3.31Å; L717-V721 WeakPolarHBondContact O-CG2 3.44Å; L717-V721 PolarHBondContact O-N 3.01Å; V721-D724 WeakPolarHBondContact O-CB 3.46Å; V721-D724 PolarHBondContact O-N 3.09Å; V721-L725 HydrophobicContact CG1-CD1 4.14Å; V721-L725 HydrophobicContact CG1-CG 4.37Å; V721-L725 WeakPolarHBondContact O-CG 3.48Å; V721-L725 PolarHBondContact O-N 2.67Å; V721-Q1048 HydrophobicContact CG2-CG 4.11Å; V721-A1051 HydrophobicContact CG1-CB 4.32Å; V721-A1051 HydrophobicContact CG2-CB 3.61Å; V721-A1052 HydrophobicContact CG1-CB 4.21Å; V721-V1062 HydrophobicContact CB-CG1 4.05Å; V721-V1062 HydrophobicContact CG1-CG1 4.01Å; V721-V1062 HydrophobicContact CG1-CG2 4.43Å; V721-L1066 HydrophobicContact CG2-CD2 4.24Å
722S90Very high71.1Confident31 Ų3163.2 Ų63.222%0.21733%0.325CS..Hα-helixtrans-58.8-49.6174.9-176.40000110.8A718 H719 A720 D724 L725 F726A718-S722 WeakPolarHBondContact O-CB 3.17Å; A718-S722 PolarHBondContact O-N 2.87Å; H719-S722 WeakPolarHBondContact O-CB 3.36Å; H719-S722 PolarHBondContact O-N 3.1Å; A720-S722 VanDerWaalsContact C-N 3.34Å; A720-S722 PolarHBondContact O-N 2.8Å; S722-D724 PolarHBondContact O-N 3.06Å; S722-L725 PolarHBondContact O-N 3.04Å; S722-L725 VanDerWaalsContact O-N 3.12Å; S722-F726 VanDerWaalsContact O-CD2 3.29Å; S722-F726 WeakPolarHBondContact O-CD2 3.28Å; S722-F726 PolarHBondContact O-N 3.19Å; S722-F726 VanDerWaalsContact OG-CD2 3.27Å; S722-F726 WeakPolarHBondContact OG-CD2 3.17Å; S722-F726 WeakPolarHBondContact OG-CE2 3.48Å
723L84.4Confident68.6Low102 Ų10269.7 Ų69.753%0.53435%0.35SS..Hα-helixtrans-55.9-40.2175.3-71.9171.5000112H719 A720 L725H719-L723 VanDerWaalsContact CE1-CD1 3.44Å; H719-L723 WeakPolarHBondContact CE1-CD1 3.43Å; H719-L723 WeakPolarHBondContact O-CG 3.47Å; H719-L723 PolarHBondContact O-N 3.23Å; A720-L723 PolarHBondContact O-N 3.26Å; L723-L725 PolarHBondContact O-N 2.91Å
724D80.7Confident65.7Low24 Ų2473.4 Ų73.413%0.12838%0.377CS..Hα-helixtrans-66.5-34.3178.1-76.3-9.1000114.1A720 V721 S722 Q1048 A1052 K1178A720-D724 PolarHBondContact O-N 3.23Å; A720-D724 VanDerWaalsContact O-N 3.13Å; V721-D724 WeakPolarHBondContact O-CB 3.46Å; V721-D724 PolarHBondContact O-N 3.09Å; S722-D724 PolarHBondContact O-N 3.06Å; D724-Q1048 PolarHBondContact OD1-NE2 2.96Å; D724-Q1048 VanDerWaalsContact OD1-NE2 3.13Å; D724-Q1048 VanDerWaalsContact OD2-CG 3.29Å; D724-Q1048 WeakPolarHBondContact OD2-CG 3.37Å; D724-Q1048 PolarHBondContact OD2-NE2 3.23Å; D724-A1052 HydrophobicContact CB-CB 4.34Å; D724-K1178 PolarHBondContact O-NZ 3.45Å
725L81.2Confident62.5Low27 Ų2777.2 Ų77.214%0.14140%0.404CS..Hα-helixtrans-84.5-32.7-178.6-67.5-179.2000113.3V721 S722 L723 N727 R728 A1052 A1055 R1056 V1062V721-L725 HydrophobicContact CG1-CD1 4.14Å; V721-L725 HydrophobicContact CG1-CG 4.37Å; V721-L725 WeakPolarHBondContact O-CG 3.48Å; V721-L725 PolarHBondContact O-N 2.67Å; S722-L725 PolarHBondContact O-N 3.04Å; S722-L725 VanDerWaalsContact O-N 3.12Å; L723-L725 PolarHBondContact O-N 2.91Å; L725-N727 PolarHBondContact O-N 3.23Å; L725-N727 VanDerWaalsContact O-N 3.09Å; L725-R728 WeakPolarHBondContact O-CB 3.44Å; L725-R728 PolarHBondContact O-N 2.91Å; L725-R728 VanDerWaalsContact O-N 3.17Å; L725-A1052 HydrophobicContact CD2-CB 4.36Å; L725-A1055 HydrophobicContact CD1-CB 3.5Å; L725-A1055 HydrophobicContact CD2-CB 4.19Å; L725-A1055 HydrophobicContact CG-CB 4.44Å; L725-R1056 HydrophobicContact CD2-CG 3.56Å; L725-V1062 HydrophobicContact CD1-CG2 3.74Å
726F65.7Low59.3Low143 Ų14379 Ų7963%0.62742%0.416SS*.Hα-helixtrans-63.1-16.7-176.4-96.8-79.2000113.6S722 R728S722-F726 VanDerWaalsContact O-CD2 3.29Å; S722-F726 WeakPolarHBondContact O-CD2 3.28Å; S722-F726 PolarHBondContact O-N 3.19Å; S722-F726 VanDerWaalsContact OG-CD2 3.27Å; S722-F726 WeakPolarHBondContact OG-CD2 3.17Å; S722-F726 WeakPolarHBondContact OG-CE2 3.48Å; F726-R728 PolarHBondContact O-N 3.44Å
727N54.5Low56.2Low49 Ų4984 Ų8426%0.26244%0.436SS..THydrogen-bonded Turntrans-64.714.2168.7-71.5-1.1000114.5L725 K1178 E1241 L1331L725-N727 PolarHBondContact O-N 3.23Å; L725-N727 VanDerWaalsContact O-N 3.09Å; N727-K1178 PolarHBondContact ND2-NZ 3.04Å; N727-E1241 PolarHBondContact ND2-OE1 3.44Å; N727-L1331 WeakPolarHBondContact ND2-CD1 3.28Å
728R44.4Very low52.9Low109 Ų10992.8 Ų92.841%0.41148%0.477SS..THydrogen-bonded Turntrans-111.5-22.5-174-152.7177.1-175.9-168.3-0115.5L725 F726 D1168L725-R728 WeakPolarHBondContact O-CB 3.44Å; L725-R728 PolarHBondContact O-N 2.91Å; L725-R728 VanDerWaalsContact O-N 3.17Å; F726-R728 PolarHBondContact O-N 3.44Å; R728-D1168 IonicContact CZ-OD1 2.71Å; R728-D1168 IonicContact NH2-OD1 3.39Å; R728-D1168 PolarHBondContact NH2-OD1 2.94Å
729N35Very low49.5Very low123 Ų12395.5 Ų95.566%0.65851%0.507SS*.SBendtrans-114.711.4-150.4-76.3-6.5000119.8
730T28.6Very low46.2Very low95 Ų9599.3 Ų99.358%0.58353%0.525SS*.  trans-126.746.7179.452.80000114.5H1329T730-H1329 PolarHBondContact OG1-CD2 3.29Å
731V27.7Very low42.9Very low68 Ų68106.6 Ų106.641%0.41256%0.562SS.*SBendtrans-127.5127164.6-164.90000107.4
732D24.7Very low39.6Very low88 Ų88113.9 Ų113.947%0.47160%0.6SS.*SBendtrans91.458.6175.6-52.5-21000117.6R1170D732-R1170 IonicContact OD2-NH1 3.33Å; D732-R1170 PolarHBondContact OD2-NH1 3.12Å
733W22.1Very low36.4Very low247 Ų247117.5 Ų117.594%0.93663%0.625SS**  trans-143.760.7141.9-69.495.7000109.5
734T22.4Very low33.4Very low131 Ų131120.6 Ų120.680%0.80464%0.642SS**  trans-109.668.9157.361.70000107.3
735S22.3Very low30.6Very low84 Ų84124.4 Ų124.459%0.58767%0.67SS**  trans-64.8134152.8490000107.5N737S735-N737 VanDerWaalsContact C-N 3.27Å; S735-N737 PolarHBondContact O-N 2.96Å
736D21.1Very low27.7Very low160 Ų160126.8 Ų126.886%0.85669%0.689SS**  trans-51.882.5174.2-67.4-51.9000112Q738D736-Q738 PolarHBondContact O-N 3.08Å
737N22.2Very low25.5Very low154 Ų154132 Ų13282%0.82471%0.705SS**  trans-92100.3163.4-95.53.5000108.5S735S735-N737 VanDerWaalsContact C-N 3.27Å; S735-N737 PolarHBondContact O-N 2.96Å
738Q21.4Very low23.9Very low183 Ų183137.6 Ų137.686%0.85573%0.73SS**  trans-27.7139159-63.3173-2.500112.4D736 E740D736-Q738 PolarHBondContact O-N 3.08Å; Q738-E740 PolarHBondContact O-N 3.16Å
739G19.8Very low22.9Very low76 Ų76136.8 Ų136.878%0.78475%0.746SS**  trans-57.7133.5-172.300000113.6
740E22Very low22.4Very low178 Ų178140.1 Ų140.183%0.83276%0.758SS**  trans-115.6110.5149-78.3-171.2156.700107.9Q738 I742Q738-E740 PolarHBondContact O-N 3.16Å; E740-I742 PolarHBondContact O-N 3.17Å
741N20.2Very low22.2Very low166 Ų166144.9 Ų144.989%0.88878%0.776SS**  trans-56.495.5168.7-73.5-45.7000109.4S743N741-S743 PolarHBondContact O-N 3.37Å
742I22Very low22Very low154 Ų154149 Ų14979%0.7980%0.796SS**  trans-92.998.4157.6-60.5177.2000106.2E740 N744E740-I742 PolarHBondContact O-N 3.17Å; I742-N744 PolarHBondContact O-N 3.17Å
743S21.6Very low22Very low106 Ų106151.4 Ų151.474%0.74181%0.808SS**  trans-44.2117.2175.3350000111.9N741 S745N741-S743 PolarHBondContact O-N 3.37Å; S743-S745 PolarHBondContact O-N 2.9Å
744N21.2Very low22.2Very low167 Ų167149.2 Ų149.289%0.89381%0.809SS**  trans-58.1106.1160.4-87.2-24.7000108.7I742 S746I742-N744 PolarHBondContact O-N 3.17Å; N744-S746 PolarHBondContact O-N 3.43Å; N744-S746 VanDerWaalsContact O-N 3.07Å
745S21.9Very low22.2Very low104 Ų104150.8 Ų150.873%0.72781%0.81SS**  trans-70.1100.1167.855.30000109.2S743 W747S743-S745 PolarHBondContact O-N 2.9Å; S745-W747 PolarHBondContact O-N 3.47Å
746S21.4Very low22.4Very low77 Ų77154.8 Ų154.854%0.53883%0.825SS.*  trans2.4107.9146.2-170.70000116.2N744N744-S746 PolarHBondContact O-N 3.43Å; N744-S746 VanDerWaalsContact O-N 3.07Å
747W20.2Very low22.5Very low254 Ų254150.5 Ų150.596%0.96282%0.819SS**  trans-124.178.5137.2-74.794.7000106.2S745S745-W747 PolarHBondContact O-N 3.47Å
748Q20.6Very low22.7Very low165 Ų165152.4 Ų152.477%0.77182%0.823SS**  trans-77.4124.3161.2-88.8160.9-51.100107.4
749A22.5Very low22.7Very low92 Ų92149.7 Ų149.776%0.7682%0.819SS**  80.296.3108.200000112.8
750E24.6Very low23.1Very low193 Ų193153.5 Ų153.590%0.90282%0.821SS**  trans-167.6104.3152.7-109172.3-158.200106.3
751M23.7Very low23.4Very low195 Ų195152.1 Ų152.196%0.96182%0.82SS**  trans170.778.3150.5-81.2-116.2141.500107
752D23.8Very low23.6Very low156 Ų156152.2 Ų152.283%0.83482%0.82SS**  trans-81.8147.7161.4-78.2-36000109.7
753D24.7Very low23.8Very low137 Ų137156.4 Ų156.473%0.73383%0.826SS**  trans56.8105.7152.9-69.3-19.1000120.6
754Q26.4Very low24Very low202 Ų202157.3 Ų157.394%0.94483%0.827SS**  -161.4105122.2-105.9164.838.800110.3
755I22.4Very low24.1Very low163 Ų163156.8 Ų156.884%0.83682%0.824SS**  trans-86.1117.2165.4-65170.6000106
756D26.4Very low24.3Very low169 Ų169162.9 Ų162.990%0.90483%0.833SS**  trans-143.4128.7156.5-124.2-14.6000109.6
757G22.9Very low24.4Very low69 Ų69169.5 Ų169.571%0.71185%0.846SS**  trans-82.7138.9-171.600000112.3
758Q26.3Very low24.7Very low195 Ų195164.6 Ų164.691%0.91184%0.838SS**  trans-150.1113.4151.6-109.4169.96.700109
759T22.8Very low24.8Very low126 Ų126165.2 Ų165.277%0.77385%0.846SS**  trans-65.6126.8166.143.30000109.9
760D26.7Very low24.9Very low155 Ų155169 Ų16983%0.82985%0.848SS**  trans170.2149133-87.3-23.2000111.7
761D28.5Very low25Very low150 Ų150164.5 Ų164.580%0.80283%0.833SS**  trans81.176.6171.6-71.5-18.2000120R763D761-R763 PolarHBondContact O-N 3.06Å
762D25.7Very low25.1Very low168 Ų168163.5 Ų163.590%0.89883%0.826SS**  trans-51.285.7149-78.1-39.6000112.5
763R25.3Very low25.2Very low241 Ų241163.7 Ų163.791%0.90983%0.828SS**  trans-157.113.1160.3-116.7162.3-171.9-166.32.1118.6D761D761-R763 PolarHBondContact O-N 3.06Å
764T25.8Very low25.3Very low125 Ų125163.7 Ų163.777%0.76782%0.823SS**  trans-124.513.4-173.8-9.30000115.7Y766T764-Y766 PolarHBondContact O-N 3.02Å
765N23.9Very low25.7Very low156 Ų156159.9 Ų159.983%0.83481%0.809SS**THydrogen-bonded Turntrans-8913.5-177.1-123.7-10.9000115.9
766Y24.6Very low26Very low232 Ų232159.4 Ų159.491%0.9181%0.808SS**THydrogen-bonded Turntrans-104.210.2178.8-90.7-78.1000115.5T764T764-Y766 PolarHBondContact O-N 3.02Å
767R24.8Very low26.2Very low216 Ų216155 Ų15582%0.81579%0.787SS**SBendtrans-113.53.1-179.7-91.3-174176.7173.40.3117.1
768L25.7Very low26.6Very low152 Ų152153.5 Ų153.580%0.79677%0.765SS**SBendtrans-101.1-1.1-179.1-121.890.1000116.5
769L23.8Very low26.7Very low177 Ų177150.5 Ų150.593%0.92775%0.749SS**SBendtrans-104.74.1179.5-100.5136.5000114.7
770Q24.2Very low27.1Very low172 Ų172147.2 Ų147.280%0.80474%0.735SS**SBendtrans-104.63.4-179.8-126176.21300114.8
771T25.9Very low27.2Very low98 Ų98143.2 Ų143.260%0.60172%0.719SS**SBendtrans-975.1-17851.80000114.9
772Q26.2Very low27.2Very low174 Ų174144.2 Ų144.281%0.81371%0.712SS**SBendtrans-108.4-3.2177.8-72.8-169.1200115.9
773N26.3Very low27.5Very low161 Ų161141 Ų14186%0.86169%0.694SS**  trans-11636.8173.1-88.1-14000112.2D775N773-D775 PolarHBondContact O-N 3.41Å
774E26.4Very low27.8Very low137 Ų137132 Ų13264%0.6467%0.671SS**  trans-67.7122168.3-77.8-164.515600110.7L776E774-L776 PolarHBondContact O-N 2.93Å
775D35.1Very low27.8Very low122 Ų122130.8 Ų130.865%0.65266%0.66SS**  trans-32.698.8170.4-79.9-44.2000113.9N773 T777 S778N773-D775 PolarHBondContact O-N 3.41Å; D775-T777 PolarHBondContact O-N 3.43Å; D775-T777 VanDerWaalsContact O-N 3.08Å; D775-S778 WeakPolarHBondContact O-CB 3.41Å; D775-S778 PolarHBondContact O-N 2.92Å
776L28.2Very low27.9Very low153 Ų153131.9 Ų131.980%0.80166%0.657SS**Hα-helixtrans-62.3-18.5-179.5-74.9165.1000113.2E774E774-L776 PolarHBondContact O-N 2.93Å
777T30.7Very low28.1Very low77 Ų77130.8 Ų130.847%0.47265%0.651SS.*Hα-helixtrans-92.7-15.9174.234.80000114.7D775 K779 A780 S781D775-T777 PolarHBondContact O-N 3.43Å; D775-T777 VanDerWaalsContact O-N 3.08Å; T777-K779 PolarHBondContact O-N 3.2Å; T777-A780 PolarHBondContact O-N 3.33Å; T777-S781 PolarHBondContact O-N 3.3Å; T777-S781 PolarHBondContact O-OG 2.97Å
778S31.5Very low28.3Very low37 Ų37126.5 Ų126.526%0.25964%0.643SS.*Hα-helixtrans-63-36.4167.1171.70000110.4D775 S781 R782D775-S778 WeakPolarHBondContact O-CB 3.41Å; D775-S778 PolarHBondContact O-N 2.92Å; S778-S781 PolarHBondContact O-N 3.07Å; S778-R782 VanDerWaalsContact O-CB 3.29Å; S778-R782 WeakPolarHBondContact O-CB 3.5Å; S778-R782 WeakPolarHBondContact O-CG 3.48Å; S778-R782 PolarHBondContact O-N 3.13Å
779K29Very low28.4Very low131 Ų131125 Ų12557%0.5763%0.634SS**Hα-helixtrans-63.7-40.5170.9-93.2177.2179.8165.10112.8T777 L783T777-K779 PolarHBondContact O-N 3.2Å; K779-L783 VanDerWaalsContact O-CB 3.26Å; K779-L783 WeakPolarHBondContact O-CB 3.3Å; K779-L783 PolarHBondContact O-N 3.46Å
780A30.3Very low28.6Very low58 Ų58123.3 Ų123.348%0.47963%0.627SS.*Hα-helixtrans-66-43177.600000111.8T777 L783 A784T777-A780 PolarHBondContact O-N 3.33Å; A780-L783 PolarHBondContact O-N 2.85Å; A780-A784 PolarHBondContact O-N 3.49Å
781S29.3Very low28.8Very low71 Ų71120.1 Ų120.150%0.49762%0.621SS.*Hα-helixtrans-68.8-39.2178.5-50.40000111.7T777 S778 A784 L785T777-S781 PolarHBondContact O-N 3.3Å; T777-S781 PolarHBondContact O-OG 2.97Å; S778-S781 PolarHBondContact O-N 3.07Å; S781-A784 PolarHBondContact O-N 3.02Å; S781-L785 WeakPolarHBondContact O-CB 3.32Å; S781-L785 PolarHBondContact O-N 3.45Å
782R28.8Very low28.8Very low170 Ų170124.6 Ų124.664%0.64264%0.635SS**Hα-helixtrans-70.3-33.5173-74.9-177.8-173.4150.92.4112.9S778 L785 K786S778-R782 VanDerWaalsContact O-CB 3.29Å; S778-R782 WeakPolarHBondContact O-CB 3.5Å; S778-R782 WeakPolarHBondContact O-CG 3.48Å; S778-R782 PolarHBondContact O-N 3.13Å; R782-L785 PolarHBondContact O-N 2.87Å; R782-K786 VanDerWaalsContact O-CB 3.32Å; R782-K786 WeakPolarHBondContact O-CB 3.44Å; R782-K786 PolarHBondContact O-N 2.89Å
783L31.8Very low28.8Very low100 Ų100121.9 Ų121.952%0.52464%0.635SS.*Hα-helixtrans-68.2-36.9173.6-100.6148000111.5K779 A780 R787K779-L783 VanDerWaalsContact O-CB 3.26Å; K779-L783 WeakPolarHBondContact O-CB 3.3Å; K779-L783 PolarHBondContact O-N 3.46Å; A780-L783 PolarHBondContact O-N 2.85Å; L783-R787 WeakPolarHBondContact O-CG 3.4Å; L783-R787 PolarHBondContact O-N 2.64Å; L783-R787 VanDerWaalsContact O-N 3.14Å
784A31.2Very low28.7Very low53 Ų53121.3 Ų121.344%0.43863%0.632SS.*Hα-helixtrans-64-46.8171.300000111.1A780 S781 R787 I788A780-A784 PolarHBondContact O-N 3.49Å; S781-A784 PolarHBondContact O-N 3.02Å; A784-R787 PolarHBondContact O-N 2.7Å; A784-I788 WeakPolarHBondContact O-CD1 3.37Å; A784-I788 WeakPolarHBondContact O-CG1 3.35Å; A784-I788 PolarHBondContact O-N 3.19Å
785L26.1Very low28.5Very low99 Ų99121.2 Ų121.252%0.51864%0.641SS.*Hα-helixtrans-65.5-38.5176.7-90.9152.7000113.4S781 R782 R787 I788 I789S781-L785 WeakPolarHBondContact O-CB 3.32Å; S781-L785 PolarHBondContact O-N 3.45Å; R782-L785 PolarHBondContact O-N 2.87Å; L785-R787 VanDerWaalsContact C-N 3.27Å; L785-R787 PolarHBondContact O-N 3.03Å; L785-I788 PolarHBondContact O-N 3.03Å; L785-I788 VanDerWaalsContact O-N 3.11Å; L785-I789 HydrophobicContact CD2-CD1 4.09Å; L785-I789 PolarHBondContact O-N 3.49Å
786K26.8Very low28Very low179 Ų179120.5 Ų120.578%0.77865%0.645SS**Hα-helixtrans-67-28.3176.4-113.4-176174.6-177.40112.6R782 I788R782-K786 VanDerWaalsContact O-CB 3.32Å; R782-K786 WeakPolarHBondContact O-CB 3.44Å; R782-K786 PolarHBondContact O-N 2.89Å; K786-I788 VanDerWaalsContact C-N 3.29Å
787R28.8Very low27.8Very low210 Ų210118.4 Ų118.479%0.79264%0.644SS**Hα-helixtrans-75.8-18173.6-75.6-176.9178.8-175.70.2113.1L783 A784 L785L783-R787 WeakPolarHBondContact O-CG 3.4Å; L783-R787 PolarHBondContact O-N 2.64Å; L783-R787 VanDerWaalsContact O-N 3.14Å; A784-R787 PolarHBondContact O-N 2.7Å; L785-R787 VanDerWaalsContact C-N 3.27Å; L785-R787 PolarHBondContact O-N 3.03Å
788I29.7Very low27.3Very low126 Ų126121.7 Ų121.765%0.64666%0.664SS**Hα-helixtrans-93.1-29-176.2-67.1167.8000112.4A784 L785 K786A784-I788 WeakPolarHBondContact O-CD1 3.37Å; A784-I788 WeakPolarHBondContact O-CG1 3.35Å; A784-I788 PolarHBondContact O-N 3.19Å; L785-I788 PolarHBondContact O-N 3.03Å; L785-I788 VanDerWaalsContact O-N 3.11Å; K786-I788 VanDerWaalsContact C-N 3.29Å
789I27.2Very low26.9Very low119 Ų119128.5 Ų128.561%0.6169%0.692SS**SBendtrans-93.8-4.1-166.7-65.4175.8000115.1L785L785-I789 HydrophobicContact CD2-CD1 4.09Å; L785-I789 PolarHBondContact O-N 3.49Å
790N28.3Very low26.5Very low143 Ų143128.8 Ų128.877%0.76570%0.704SS**  trans-147.485173.9-103.3-26.6000114.6
791P26.7Very low26.1Very low105 Ų105137 Ų13768%0.68272%0.724SS**  trans-89.6112.7152.931.8-20.3000108.9
792E26.1Very low25.7Very low192 Ų192142.4 Ų142.490%0.89774%0.742SS**  trans44.6106.9157.7-59.3-177.8172.200119.2
793S26.9Very low25.4Very low116 Ų116142 Ų14281%0.81175%0.747SS**  trans-153.5135.6143.763.70000112
794N23.8Very low24.9Very low150 Ų150146.5 Ų146.580%0.80277%0.766SS**  trans-55.7148.6-174.8-74.6-43.6000115.9
795T22.7Very low24.4Very low134 Ų134152.3 Ų152.382%0.82278%0.783SS**  trans-1.9118.414856.20000118.2
796S25Very low24.3Very low107 Ų107153.2 Ų153.275%0.74880%0.798SS**  trans-160.2112139.558.50000111.4
797S22.6Very low24.1Very low110 Ų110150.1 Ų150.177%0.76980%0.799SS**  trans47.4104.6134.8-37.10000119.9E799S797-E799 PolarHBondContact O-N 2.92Å
798T20.8Very low23.8Very low145 Ų145147 Ų14789%0.8980%0.803SS**  trans-12.8113.1142.70.50000116.5
799E23.3Very low23.5Very low181 Ų181146.6 Ų146.685%0.84681%0.811SS**  trans-132138.8152.3-79.6-169.9170.800110.5S797S797-E799 PolarHBondContact O-N 2.92Å
800T21.6Very low23.1Very low136 Ų136152.4 Ų152.483%0.83483%0.826SS**PPolyproline II helixtrans-83.1119.7-158.5-41.80000111.3
801Y20.2Very low22.9Very low230 Ų230151.1 Ų151.190%0.90283%0.828SS**PPolyproline II helixtrans-80.6118172.7-91-94.3000111.1
802Q21.6Very low22.6Very low186 Ų186154.8 Ų154.887%0.86984%0.836SS**PPolyproline II helixtrans-94.1134.5165.8-86.6-177.9-25.300110.9
803H21.6Very low22.5Very low160 Ų160155.1 Ų155.174%0.74184%0.837SS**PPolyproline II helixtrans-51.8135.1172-77.8-103.8000113.9
804Q21.7Very low22.3Very low196 Ų196157.4 Ų157.492%0.91684%0.835SS**  trans-143.4117.2139.3-74.4-163.5-12.500111.1
805H21.6Very low22.1Very low174 Ų174158.2 Ų158.281%0.80683%0.834SS**  trans-72.9137.1166.3-79.9-96.9000109.9
806S23.4Very low22.1Very low118 Ų118161.3 Ų161.383%0.82584%0.839SS**  trans-149.3127.714848.60000110.8
807S22.5Very low22Very low114 Ų114162.6 Ų162.680%0.79784%0.842SS**  trans-86.7126.9-172.739.40000111.3
808T22.9Very low22.1Very low145 Ų145165 Ų16589%0.8985%0.846SS**  trans-97.3109.6171.1440000110.4
809S22.4Very low22.2Very low117 Ų117162.8 Ų162.882%0.81883%0.834SS**  trans-90.3142171.9-79.60000111.6
810R19.5Very low22.3Very low242 Ų242161.4 Ų161.491%0.91383%0.832SS**  trans-58.2142.2172.3-69.8168.4167.6171.3-5.9112.4
811S23.7Very low22.7Very low116 Ų116163.1 Ų163.181%0.81184%0.835SS**  trans-145.9133.2148.947.10000109.9
812H21Very low22.8Very low182 Ų182158 Ų15884%0.84383%0.827SS**  trans-79.9130.9173.5-88.6-99.4000108.9
813E24.1Very low22.7Very low199 Ų199154.9 Ų154.993%0.9383%0.825SS**  trans-133.7131.6159.9-84.9-174.1160.400110.6
814H22.1Very low22.8Very low163 Ų163156 Ų15676%0.75583%0.831SS**  trans-89.5148.1-178-101.5-81000110.7
815Q20.3Very low22.8Very low167 Ų167153.1 Ų153.178%0.7883%0.827SS**  trans55.3113.5145.1-70.2174-15.100119.1
816Q22.1Very low22.9Very low200 Ų200150.2 Ų150.294%0.93583%0.825SS**  -171.5132.5110.3-105.5171-4.900111
817V22.1Very low22.8Very low133 Ų133152.4 Ų152.481%0.80683%0.828SS**  trans-94.7125175.4171.60000107
818D25.8Very low23Very low162 Ų162152.2 Ų152.287%0.86683%0.827SS**  trans-127.1114.7167.8-121-19.8000108.7
819P23.5Very low22.9Very low97 Ų97152.8 Ų152.863%0.6382%0.824SS**  trans-104.6112.517833.8-22.6000110
820N25.4Very low23Very low152 Ų152153.6 Ų153.681%0.81382%0.824SS**  trans-174.287.7163.9-97.2-28.4000111.3
821I29.2Very low23Very low173 Ų173153.1 Ų153.189%0.88782%0.824SS**  trans-142.1104.1149.1-58.7-174.6000108.9
822T22.8Very low23Very low121 Ų121151 Ų15174%0.74282%0.821SS**  trans-68.4133.6176.3-39.10000111Q824T822-Q824 PolarHBondContact O-N 3.01Å
823C19.9Very low23Very low121 Ų121146 Ų14682%0.81882%0.818SS**  trans-63.8127.6171.3-55.70000110.8
824Q23.2Very low23Very low185 Ų185145.9 Ų145.986%0.86482%0.818SS**  trans-115.3116.4161.5-77.6-173.2-6.600109T822T822-Q824 PolarHBondContact O-N 3.01Å
825T21.4Very low23Very low135 Ų135147.5 Ų147.583%0.82883%0.826SS**  trans-70.7132.8168.844.10000109.5
826S24.2Very low23.2Very low112 Ų112145.1 Ų145.178%0.78383%0.827SS**  trans-142.898.1162.6470000109.4
827D21.4Very low23.2Very low165 Ų165144.2 Ų144.288%0.88282%0.823SS**  trans-70.8125.2164.5-70.3-44.6000109.1
828S25.9Very low23.2Very low109 Ų109149.4 Ų149.476%0.76283%0.828SS**  trans-146.899.5157.846.90000110.2
829N20.5Very low22.9Very low158 Ų158146.8 Ų146.885%0.84582%0.822SS**  trans-62.9127.2161.3-84.2-40.8000109.2
830T25.1Very low23Very low133 Ų133148.6 Ų148.682%0.81683%0.834SS**  trans-141.8103.8157.9-55.40000109.2
831Y18.7Very low22.8Very low232 Ų232146.3 Ų146.391%0.9183%0.83SS**  trans-69.1127.1162.3-99.5-100.1000108.9
832G24.2Very low22.6Very low73 Ų73146.6 Ų146.675%0.75383%0.828SS**  trans-162.4101.4172.100000109.7
833G20.8Very low22.6Very low75 Ų75148.1 Ų148.177%0.77383%0.83SS**  trans-74.1159.3177.600000112.8
834Q25.4Very low22.7Very low198 Ų198148.2 Ų148.293%0.92583%0.827SS**  trans-164.8126.7143.2-107.6169.328.900110.2
835Q20.5Very low22.7Very low197 Ų197146 Ų14692%0.92182%0.821SS**  trans-67.9140.1169.9-68.1165.2-23.800109.9
836S25.3Very low22.7Very low116 Ų116143.7 Ų143.781%0.81181%0.81SS**  trans-152.9104.6149.7-168.70000109.8
837Q22.2Very low22.7Very low181 Ų181145 Ų14585%0.84681%0.809SS**  trans-71.2129.6167.7-69.2177.8-19.300109
838R20.9Very low22.8Very low242 Ų242144.7 Ų144.791%0.91380%0.802SS**  trans-134.493.9157.7-106.8-176.7178.7-176.90.6108.8
839S21Very low22.6Very low107 Ų107145.4 Ų145.475%0.74880%0.796SS**PPolyproline II helixtrans-87.9129.5165.1-54.20000108.8
840P25.4Very low22.7Very low135 Ų135144.6 Ų144.688%0.87779%0.791SS**PPolyproline II helixtrans-86116.3163.510.86.5000108.6
841S21.1Very low22.6Very low105 Ų105144.1 Ų144.173%0.73479%0.791SS**PPolyproline II helixtrans-101.2122.416542.40000107.3
842H25.3Very low22.9Very low179 Ų179140 Ų14083%0.82979%0.79SS**  trans-154.6115.9159-113-75.7000111.8
843L22.7Very low22.8Very low152 Ų152143.7 Ų143.780%0.79679%0.792SS**  trans59.5100.6146.5-107.669.1000120.3
844V20.6Very low23Very low123 Ų123144.8 Ų144.875%0.74579%0.788SS**  trans-50.6128.7142.4176.10000109.8S846V844-S846 WeakPolarHBondContact CG1-OG 3.47Å
845N23.5Very low22.9Very low140 Ų140140.3 Ų140.375%0.74978%0.778SS**  trans-125.6130.5153.3-157.129000109
846S21.3Very low23Very low86 Ų86139 Ų13960%0.60178%0.778SS**  trans-117.599.3-171.9-53.10000107.9V844V844-S846 WeakPolarHBondContact CG1-OG 3.47Å
847D25.8Very low22.7Very low139 Ų139144.1 Ų144.174%0.74378%0.781SS**  trans-117.197.8165.1-72.5-42.8000106.2
848Q22.3Very low22.9Very low159 Ų159140.5 Ų140.574%0.74378%0.776SS**  54.4109.785.3-76.2-161.46.800115.5
849I21.1Very low22.9Very low124 Ų124132.6 Ų132.664%0.63677%0.769SS**  trans74.198.5130.4-56.7168000116.5
850N22.8Very low23.1Very low140 Ų140133.8 Ų133.875%0.74977%0.772SS**  165.4123.494.9-109.6-23.3000111.4
851P23.1Very low22.9Very low124 Ų124135.8 Ų135.881%0.80577%0.769SS**PPolyproline II helixtrans-83.6119.5167.530.9-26.7000110N853P851-N853 PolarHBondContact O-N 3.39Å
852T25.5Very low22.9Very low144 Ų144135.9 Ų135.988%0.88377%0.77SS**PPolyproline II helixtrans-78.5119.3170.6380000110.8
853N22.2Very low22.7Very low152 Ų152138.9 Ų138.981%0.81377%0.774SS**PPolyproline II helixtrans-54.9167.7173.8-116.8-24.3000115.2P851P851-N853 PolarHBondContact O-N 3.39Å
854S24.8Very low22.5Very low98 Ų98143.3 Ų143.369%0.68578%0.78SS**  trans80100.6156.765.30000117
855S22.5Very low22.7Very low103 Ų103141.9 Ų141.972%0.7278%0.781SS**  59.787.772.477.10000113.2
856N23.4Very low22.7Very low169 Ų169140.6 Ų140.690%0.90478%0.784SS**  trans-124.487.8152.4-93.5-20.4000108.8S858N856-S858 PolarHBondContact O-N 3.09Å
857Y20.2Very low22.8Very low225 Ų225144.2 Ų144.288%0.88280%0.796SS**  trans-67.5115.2155.8-113.5-98.8000107.4
858S25.1Very low22.6Very low105 Ų105141.4 Ų141.473%0.73480%0.8SS**  trans-139.887.6158.4-82.30000107.5N856 T860N856-S858 PolarHBondContact O-N 3.09Å; S858-T860 PolarHBondContact O-N 3.46Å
859G21.5Very low22.5Very low75 Ų75144.9 Ų144.977%0.77381%0.807SS**  trans-68.5109164.200000108.8
860T24.1Very low22.5Very low132 Ų132144.8 Ų144.881%0.8182%0.817SS**  trans-105.9113.6166.541.60000109.1S858 S862S858-T860 PolarHBondContact O-N 3.46Å; T860-S862 PolarHBondContact O-N 3.42Å
861H22.4Very low22.6Very low177 Ų177142.1 Ų142.182%0.81981%0.809SS**  trans-21.1116168.7-78-83.2000116.9R863H861-R863 PolarHBondContact O-N 3.05Å
862S20.8Very low22.6Very low107 Ų107143 Ų14375%0.74881%0.812SS**  trans-3.4105.6132.6169.60000115.1T860T860-S862 PolarHBondContact O-N 3.42Å
863R21.2Very low22.7Very low242 Ų242140.7 Ų140.791%0.91380%0.801SS**  trans-119.2102.6151.1-74.7-173.5-177.2179.11.9108.5H861 A865H861-R863 PolarHBondContact O-N 3.05Å; R863-A865 PolarHBondContact O-N 3.34Å
864R19.5Very low23.2Very low245 Ų245137.1 Ų137.193%0.92580%0.8SS**  trans-52.9111.1161.3-89173.5170.7163.9-2.8108.6
865A23.8Very low23.6Very low93 Ų93139.5 Ų139.577%0.76980%0.804SS**  trans-115.9101.415500000106.3R863 D867R863-A865 PolarHBondContact O-N 3.34Å; A865-D867 PolarHBondContact O-N 3.49Å
866S23Very low24.6Very low114 Ų114138.3 Ų138.380%0.79779%0.79SS**  trans-71102.4171.644.70000109.1
867D24.1Very low25.9Very low161 Ų161133.8 Ų133.886%0.86177%0.771SS**  trans-120.3100.7158.9-88.3-33.6000108.7A865 R869A865-D867 PolarHBondContact O-N 3.49Å; D867-R869 PolarHBondContact O-N 2.9Å; D867-R869 VanDerWaalsContact O-N 3.1Å
868G21.3Very low27.4Very low81 Ų81124.8 Ų124.884%0.83574%0.74SS**  trans-68.599.6172.500000109.9
869R20.9Very low29.2Very low232 Ų232124 Ų12488%0.87573%0.727SS**  trans-116.798.2149-90.3-179.9173.2-162.4-2.4107.2D867 S871D867-R869 PolarHBondContact O-N 2.9Å; D867-R869 VanDerWaalsContact O-N 3.1Å; R869-S871 PolarHBondContact O-N 3.25Å
870S21.3Very low31.9Very low121 Ų121123.7 Ų123.785%0.84670%0.703SS**  trans-63.671.4162-64.20000108.9T872S870-T872 PolarHBondContact O-N 3.12Å
871S24.3Very low34.4Very low84 Ų84118 Ų11859%0.58767%0.668SS**  trans-69.8108.916141.60000106.3R869 C873R869-S871 PolarHBondContact O-N 3.25Å; S871-C873 PolarHBondContact O-N 3.39Å
872T23.9Very low37Very low143 Ų143113.9 Ų113.988%0.87765%0.652SS**  trans-60.567167.446.30000109.8S870 G874S870-T872 PolarHBondContact O-N 3.12Å; T872-G874 PolarHBondContact O-N 3.28Å
873C26.9Very low40Very low96 Ų96113.2 Ų113.265%0.64965%0.647SS**  trans-82.573.5169.4-570000106.6S871 L875S871-C873 PolarHBondContact O-N 3.39Å; C873-L875 PolarHBondContact O-N 2.87Å
874G32.7Very low43.2Very low77 Ų77103.8 Ų103.879%0.79461%0.614SS**  trans-68.171.7160.900000108.1T872 D876T872-G874 PolarHBondContact O-N 3.28Å; G874-D876 PolarHBondContact O-N 2.53Å
875L33.2Very low46.6Very low147 Ų14794.4 Ų94.477%0.7759%0.586SS**  trans-71.9123.8178-153.375.4000107.5C873 S877C873-L875 PolarHBondContact O-N 2.87Å; L875-S877 PolarHBondContact O-N 2.59Å
876D43Very low49.6Very low79 Ų7990.6 Ų90.642%0.42255%0.554SS.*  trans-51.4111.4-173.3-88-46.7000112.4R712 G874 T878 D879R712-D876 IonicContact CZ-OD1 3.56Å; R712-D876 IonicContact NH1-OD1 2.71Å; R712-D876 PolarHBondContact NH1-OD1 3.33Å; R712-D876 IonicContact NH2-OD1 3.89Å; G874-D876 PolarHBondContact O-N 2.53Å; D876-T878 PolarHBondContact O-N 3.27Å; D876-D879 WeakPolarHBondContact O-CB 3.47Å; D876-D879 PolarHBondContact O-N 3.41Å
877S50.4Low52.7Low73 Ų7390.2 Ų90.251%0.5154%0.543SS..THydrogen-bonded Turntrans-68.94.3178-169.40000113.9L875 W880L875-S877 PolarHBondContact O-N 2.59Å; S877-W880 PolarHBondContact O-NE1 2.79Å; S877-W880 VanDerWaalsContact O-NE1 3.1Å
878T53.2Low55.9Low37 Ų3787 Ų8723%0.22752%0.523CS..THydrogen-bonded Turntrans-94-11.7168.739.30000113.2D876 W880 L881D876-T878 PolarHBondContact O-N 3.27Å; T878-W880 PolarHBondContact O-N 3.06Å; T878-L881 PolarHBondContact O-N 3.19Å
879D62Low59.2Low87 Ų8783.1 Ų83.147%0.46548%0.483SS..Hα-helixtrans-64-27.4-178.7-93.6-8.6000113D876 L881 N882 S883D876-D879 WeakPolarHBondContact O-CB 3.47Å; D876-D879 PolarHBondContact O-N 3.41Å; D879-L881 PolarHBondContact O-N 2.96Å; D879-N882 PolarHBondContact O-N 3.09Å; D879-S883 WeakPolarHBondContact O-CB 3.39Å; D879-S883 PolarHBondContact O-N 3.04Å; D879-S883 PolarHBondContact O-OG 2.95Å
880W77.7Confident62.5Low70 Ų7072.4 Ų72.427%0.26544%0.443SS..Hα-helixtrans-65.4-38.1177.777.8-91.8000112F705 S877 T878 S883 L884 R892 E901 I905F705-W880 HydrophobicContact CZ-CZ2 4.47Å; S877-W880 PolarHBondContact O-NE1 2.79Å; S877-W880 VanDerWaalsContact O-NE1 3.1Å; T878-W880 PolarHBondContact O-N 3.06Å; W880-S883 WeakPolarHBondContact CA-OG 3.24Å; W880-S883 PolarHBondContact O-OG 3.19Å; W880-L884 HydrophobicContact CE3-CD1 3.31Å; W880-L884 HydrophobicContact CZ3-CD1 3.44Å; W880-L884 VanDerWaalsContact CZ3-CD1 3.44Å; W880-L884 VanDerWaalsContact O-CD1 3.31Å; W880-L884 WeakPolarHBondContact O-CD1 3.48Å; W880-L884 VanDerWaalsContact O-CG 3.27Å; W880-L884 WeakPolarHBondContact O-CG 3.36Å; W880-R892 HydrophobicContact CZ3-CG 4.41Å; W880-E901 HydrophobicContact CH2-CG 4.32Å; W880-I905 HydrophobicContact CH2-CG1 4.31Å
881L76.3Confident65.7Low13 Ų1373.2 Ų73.27%0.06843%0.431CS..Hα-helixtrans-73.3-34.4-178-163.575.6000111.5T878 D879 S883 L889 E904 I905 R908T878-L881 PolarHBondContact O-N 3.19Å; D879-L881 PolarHBondContact O-N 2.96Å; L881-S883 VanDerWaalsContact C-N 3.35Å; L881-L889 HydrophobicContact CD1-CD2 3.65Å; L881-L889 HydrophobicContact CG-CD2 4.44Å; L881-E904 HydrophobicContact CD2-CB 4.27Å; L881-I905 HydrophobicContact CD1-CG1 4.08Å; L881-R908 HydrophobicContact CD2-CB 3.92Å; L881-R908 HydrophobicContact CD2-CG 4.35Å; L881-R908 HydrophobicContact CG-CB 4.11Å; L881-R908 HydrophobicContact CG-CG 4.14Å
882N77.9Confident68.8Low90 Ų9073.5 Ų73.548%0.48142%0.42SS..Hα-helixtrans-74-26.3179.5-70.7-28.3000113D879D879-N882 PolarHBondContact O-N 3.09Å
883S83.2Confident72Confident93 Ų9366.8 Ų66.865%0.6538%0.378SS*.Hα-helixtrans-87.2-10.6-178.551.90000114.7D879 W880 L881D879-S883 WeakPolarHBondContact O-CB 3.39Å; D879-S883 PolarHBondContact O-N 3.04Å; D879-S883 PolarHBondContact O-OG 2.95Å; W880-S883 WeakPolarHBondContact CA-OG 3.24Å; W880-S883 PolarHBondContact O-OG 3.19Å; L881-S883 VanDerWaalsContact C-N 3.35Å
884L87.8Confident74.9Confident43 Ų4368.7 Ų68.723%0.22537%0.372CS..  trans-85.8138.3-178.4-72.6161.6000112.8W880 Q888 L889W880-L884 HydrophobicContact CE3-CD1 3.31Å; W880-L884 HydrophobicContact CZ3-CD1 3.44Å; W880-L884 VanDerWaalsContact CZ3-CD1 3.44Å; W880-L884 VanDerWaalsContact O-CD1 3.31Å; W880-L884 WeakPolarHBondContact O-CD1 3.48Å; W880-L884 VanDerWaalsContact O-CG 3.27Å; W880-L884 WeakPolarHBondContact O-CG 3.36Å; L884-Q888 HydrophobicContact CB-CB 4.38Å; L884-Q888 HydrophobicContact CD2-CB 3.58Å; L884-Q888 HydrophobicContact CD2-CG 4.32Å; L884-L889 HydrophobicContact CB-CD2 3.92Å; L884-L889 HydrophobicContact CB-CG 3.94Å; L884-L889 HydrophobicContact CD1-CD2 3.88Å
885S91.1Very high77.5Confident48 Ų4869.6 Ų69.634%0.33637%0.365SS..  trans-71.4156.5166.961.90000111.7D887 Q888 L889S885-D887 VanDerWaalsContact C-N 3.26Å; S885-D887 PolarHBondContact O-N 3.27Å; S885-Q888 WeakPolarHBondContact O-CB 3.49Å; S885-Q888 PolarHBondContact O-N 3.3Å; S885-Q888 VanDerWaalsContact OG-CG 3.24Å; S885-Q888 WeakPolarHBondContact OG-CG 3.12Å; S885-Q888 PolarHBondContact OG-OE1 2.77Å; S885-L889 PolarHBondContact O-N 3.24Å
886P87.6Confident80.1Confident13 Ų1362.9 Ų62.98%0.08433%0.33CS..Hα-helixtrans-55.2-36.9178.4-31.540.5000114.4L889 V890 L909 L912 R913 W917P886-L889 WeakPolarHBondContact O-CB 3.45Å; P886-L889 PolarHBondContact O-N 3.08Å; P886-V890 WeakPolarHBondContact O-CG2 3.22Å; P886-V890 PolarHBondContact O-N 2.97Å; P886-L909 HydrophobicContact CB-CD2 3.92Å; P886-L912 HydrophobicContact CG-CD1 4.11Å; P886-R913 HydrophobicContact CB-CG 4.44Å; P886-R913 HydrophobicContact CG-CG 4.37Å; P886-W917 HydrophobicContact CB-CH2 4.12Å
887D89Confident82.1Confident107 Ų10765.1 Ų65.157%0.57234%0.342SS*.Hα-helixtrans-68.1-35.8177.3-59.9-51.7000112.1S885 K891S885-D887 VanDerWaalsContact C-N 3.26Å; S885-D887 PolarHBondContact O-N 3.27Å; D887-K891 WeakPolarHBondContact O-CG 3.28Å; D887-K891 PolarHBondContact O-N 3.48Å
888Q91.5Very high83.9Confident93 Ų9363 Ų6344%0.43533%0.325SS..Hα-helixtrans-70.5-37.2174.2-67.5165.5-36.200111.6L884 S885 K891 R892L884-Q888 HydrophobicContact CB-CB 4.38Å; L884-Q888 HydrophobicContact CD2-CB 3.58Å; L884-Q888 HydrophobicContact CD2-CG 4.32Å; S885-Q888 WeakPolarHBondContact O-CB 3.49Å; S885-Q888 PolarHBondContact O-N 3.3Å; S885-Q888 VanDerWaalsContact OG-CG 3.24Å; S885-Q888 WeakPolarHBondContact OG-CG 3.12Å; S885-Q888 PolarHBondContact OG-OE1 2.77Å; Q888-K891 PolarHBondContact O-N 3.15Å; Q888-R892 WeakPolarHBondContact O-CB 3.44Å; Q888-R892 PolarHBondContact O-N 3.48Å
889L90.6Very high85.6Confident0 Ų062.4 Ų62.40%032%0.32CS..Hα-helixtrans-60.4-45.9172.4-73.9174000111.2L881 L884 S885 P886 K891 R892 L893 I905 R908 L909 L912L881-L889 HydrophobicContact CD1-CD2 3.65Å; L881-L889 HydrophobicContact CG-CD2 4.44Å; L884-L889 HydrophobicContact CB-CD2 3.92Å; L884-L889 HydrophobicContact CB-CG 3.94Å; L884-L889 HydrophobicContact CD1-CD2 3.88Å; S885-L889 PolarHBondContact O-N 3.24Å; P886-L889 WeakPolarHBondContact O-CB 3.45Å; P886-L889 PolarHBondContact O-N 3.08Å; L889-K891 PolarHBondContact O-N 3.13Å; L889-R892 PolarHBondContact O-N 3.38Å; L889-L893 WeakPolarHBondContact O-CB 3.48Å; L889-L893 PolarHBondContact O-N 3.38Å; L889-I905 HydrophobicContact CB-CG2 3.94Å; L889-I905 HydrophobicContact CD2-CG1 4.38Å; L889-I905 HydrophobicContact CD2-CG2 4.18Å; L889-I905 WeakPolarHBondContact O-CG2 3.33Å; L889-R908 HydrophobicContact CD1-CB 4.24Å; L889-R908 HydrophobicContact CD1-CG 3.69Å; L889-L909 HydrophobicContact CB-CD1 4.49Å; L889-L909 HydrophobicContact CB-CD2 3.9Å; L889-L909 HydrophobicContact CB-CG 4.17Å; L889-L909 HydrophobicContact CD1-CD2 3.91Å; L889-L909 HydrophobicContact CD1-CG 4.19Å; L889-L912 HydrophobicContact CD1-CD1 4.11Å
890V90Very high86.9Confident6 Ų658.3 Ų58.34%0.03630%0.298CS..Hα-helixtrans-62.6-42.5175.7171.80000111.6P886 R892 L893 R894 L909 W917 T919 I921P886-V890 WeakPolarHBondContact O-CG2 3.22Å; P886-V890 PolarHBondContact O-N 2.97Å; V890-R892 VanDerWaalsContact C-N 3.32Å; V890-R892 PolarHBondContact O-N 2.92Å; V890-L893 WeakPolarHBondContact O-CB 3.4Å; V890-L893 PolarHBondContact O-N 3.07Å; V890-R894 WeakPolarHBondContact O-CG 3.33Å; V890-R894 PolarHBondContact O-N 3.3Å; V890-R894 VanDerWaalsContact O-N 3.14Å; V890-L909 HydrophobicContact CG2-CD1 4.09Å; V890-L909 HydrophobicContact CG2-CD2 4.46Å; V890-W917 HydrophobicContact CG2-CH2 4Å; V890-W917 HydrophobicContact CG2-CZ3 3.83Å; V890-T919 HydrophobicContact CG2-CG2 4.16Å; V890-I921 HydrophobicContact CG1-CD1 4.19Å; V890-I921 HydrophobicContact CG1-CG1 3.84Å
891K88.6Confident87.5Confident138 Ų13855.7 Ų55.760%0.629%0.289SS*.Hα-helixtrans-59.3-43.3173.8-74.4174.1-175.7178.90111.6D887 Q888 L889 R894 C895D887-K891 WeakPolarHBondContact O-CG 3.28Å; D887-K891 PolarHBondContact O-N 3.48Å; Q888-K891 PolarHBondContact O-N 3.15Å; L889-K891 PolarHBondContact O-N 3.13Å; K891-R894 PolarHBondContact O-N 2.87Å; K891-C895 PolarHBondContact O-SG 2.99Å; K891-C895 VanDerWaalsContact O-SG 3.33Å
892R89.3Confident88.2Confident91 Ų9155.1 Ų55.134%0.34329%0.286SS..Hα-helixtrans-65.9-40.5177.8-174.266.9-176104.2-1.6111.9W880 Q888 L889 V890 R894 C895 T896 E901 I905W880-R892 HydrophobicContact CZ3-CG 4.41Å; Q888-R892 WeakPolarHBondContact O-CB 3.44Å; Q888-R892 PolarHBondContact O-N 3.48Å; L889-R892 PolarHBondContact O-N 3.38Å; V890-R892 VanDerWaalsContact C-N 3.32Å; V890-R892 PolarHBondContact O-N 2.92Å; R892-R894 VanDerWaalsContact C-N 3.26Å; R892-R894 PolarHBondContact O-N 3.46Å; R892-C895 CarbonylContact O-C 3.5Å; R892-C895 PolarHBondContact O-N 3.07Å; R892-T896 PolarHBondContact O-N 3.46Å; R892-E901 IonicContact CZ-OE1 3.59Å; R892-E901 IonicContact CZ-OE2 3.6Å; R892-E901 IonicContact NE-OE1 3.12Å; R892-E901 PolarHBondContact NE-OE1 2.85Å; R892-E901 IonicContact NH1-OE2 2.97Å; R892-E901 IonicContact NH2-OE1 2.8Å; R892-E901 PolarHBondContact NH2-OE1 3.28Å; R892-E901 IonicContact NH2-OE2 2.7Å; R892-E901 PolarHBondContact NH2-OE2 2.98Å; R892-I905 HydrophobicContact CB-CD1 4.08Å; R892-I905 HydrophobicContact CG-CD1 3.68Å
893L90.4Very high88.9Confident1 Ų150.8 Ų50.81%0.00526%0.263CS..Hα-helixtrans-58.3-37.7177.6-17363.4000111.9L667 L889 V890 C895 Q902 I905 L906 I921 L932L667-L893 HydrophobicContact CD2-CD1 4.31Å; L667-L893 HydrophobicContact CD2-CD2 4.09Å; L667-L893 HydrophobicContact CD2-CG 3.82Å; L889-L893 WeakPolarHBondContact O-CB 3.48Å; L889-L893 PolarHBondContact O-N 3.38Å; V890-L893 WeakPolarHBondContact O-CB 3.4Å; V890-L893 PolarHBondContact O-N 3.07Å; L893-C895 VanDerWaalsContact C-N 3.26Å; L893-C895 PolarHBondContact O-N 3.32Å; L893-Q902 HydrophobicContact CD1-CB 3.85Å; L893-Q902 HydrophobicContact CD1-CG 3.87Å; L893-I905 HydrophobicContact CB-CG2 3.99Å; L893-I905 HydrophobicContact CD1-CB 4.3Å; L893-I905 HydrophobicContact CD1-CG2 4.22Å; L893-I905 HydrophobicContact CG-CG2 4.49Å; L893-L906 HydrophobicContact CD1-CG 4.31Å; L893-L906 HydrophobicContact CD2-CD2 3.73Å; L893-L906 HydrophobicContact CD2-CG 4.22Å; L893-I921 HydrophobicContact CD2-CD1 3.93Å; L893-L932 HydrophobicContact CD2-CD1 3.94Å
894R86.8Confident89.2Confident136 Ų13646.5 Ų46.551%0.51323%0.232SC..Hα-helixtrans-67.9-22.5174.7-68.5177.5-176.1165.53.9113.9V890 K891 R892 G920 I921V890-R894 WeakPolarHBondContact O-CG 3.33Å; V890-R894 PolarHBondContact O-N 3.3Å; V890-R894 VanDerWaalsContact O-N 3.14Å; K891-R894 PolarHBondContact O-N 2.87Å; R892-R894 VanDerWaalsContact C-N 3.26Å; R892-R894 PolarHBondContact O-N 3.46Å; R894-G920 PolarHBondContact NH2-O 2.88Å; R894-I921 HydrophobicContact CG-CD1 4.4Å; R894-I921 HydrophobicContact CG-CG1 4.28Å; R894-I921 HydrophobicContact CG-CG2 4.47Å
895C87.7Confident89.5Confident96 Ų9644.4 Ų44.465%0.64922%0.222SC*.THydrogen-bonded Turntrans-106.7-0.6-172.4-61.60000114K891 R892 L893K891-C895 PolarHBondContact O-SG 2.99Å; K891-C895 VanDerWaalsContact O-SG 3.33Å; R892-C895 CarbonylContact O-C 3.5Å; R892-C895 PolarHBondContact O-N 3.07Å; L893-C895 VanDerWaalsContact C-N 3.26Å; L893-C895 PolarHBondContact O-N 3.32Å
896T87.9Confident89.6Confident6 Ų642.1 Ų42.14%0.03721%0.206CC..  trans-108.6133.1179.4-176.20000111R892 N898 E901 Q902 I905R892-T896 PolarHBondContact O-N 3.46Å; T896-N898 PolarHBondContact OG1-N 3.17Å; T896-N898 VanDerWaalsContact OG1-N 3.13Å; T896-E901 VanDerWaalsContact CB-OE2 3.24Å; T896-E901 WeakPolarHBondContact CB-OE2 3.49Å; T896-E901 HydrophobicContact CG2-CB 4.48Å; T896-E901 HydrophobicContact CG2-CG 4.33Å; T896-E901 PolarHBondContact OG1-OE2 3.05Å; T896-Q902 HydrophobicContact CG2-CG 3.58Å; T896-Q902 PolarHBondContact O-NE2 3.15Å; T896-I905 HydrophobicContact CG2-CD1 4.16Å
897D84.9Confident89.8Confident126 Ų12641.6 Ų41.667%0.67420%0.202SC*.  trans-95.1-7169.3-62.6-47.2000111.9L899D897-L899 PolarHBondContact O-N 3.46Å
898N88.1Confident89.9Confident30 Ų3039 Ų3916%0.1619%0.185CC..  trans-77.4116.3-178-176.6-63.6000110.2T896 A900 E901 Q902T896-N898 PolarHBondContact OG1-N 3.17Å; T896-N898 VanDerWaalsContact OG1-N 3.13Å; N898-A900 VanDerWaalsContact C-N 3.35Å; N898-A900 PolarHBondContact O-N 2.96Å; N898-A900 WeakPolarHBondContact OD1-CA 3.36Å; N898-A900 WeakPolarHBondContact OD1-CB 3.47Å; N898-A900 PolarHBondContact OD1-N 3.28Å; N898-E901 HydrophobicContact CB-CB 3.98Å; N898-E901 PolarHBondContact O-N 3.34Å; N898-E901 PolarHBondContact OD1-N 2.95Å; N898-Q902 VanDerWaalsContact O-CG 3.31Å; N898-Q902 WeakPolarHBondContact O-CG 3.37Å; N898-Q902 PolarHBondContact O-N 3.49Å
899L89.4Confident90Very high24 Ų2434.6 Ų34.613%0.12616%0.164CC..Hα-helixtrans-61.2-40.6-176-171.468.2000112.6D897 Q902 V903 V936 R939 A940 T943 L948D897-L899 PolarHBondContact O-N 3.46Å; L899-Q902 PolarHBondContact O-N 2.87Å; L899-V903 VanDerWaalsContact O-CG2 3.32Å; L899-V903 WeakPolarHBondContact O-CG2 3.12Å; L899-V903 PolarHBondContact O-N 2.97Å; L899-V936 HydrophobicContact CD1-CB 4.42Å; L899-V936 HydrophobicContact CD1-CG1 3.81Å; L899-V936 HydrophobicContact CD1-CG2 4.46Å; L899-V936 HydrophobicContact CG-CG1 4.46Å; L899-R939 HydrophobicContact CD1-CB 3.91Å; L899-R939 VanDerWaalsContact CD1-NH1 3.34Å; L899-R939 HydrophobicContact CD2-CB 4.43Å; L899-A940 HydrophobicContact CD2-CB 4.22Å; L899-T943 HydrophobicContact CD2-CG2 4.36Å; L899-L948 HydrophobicContact CB-CD1 4.37Å; L899-L948 HydrophobicContact CD2-CD1 3.87Å; L899-L948 HydrophobicContact CG-CD1 4Å
900A89Confident90.1Very high0 Ų037.2 Ų37.20%018%0.176CC..Hα-helixtrans-66.4-42.1178.500000111.9E706 N898 Q902 V903 E904 L948E706-A900 HydrophobicContact CB-CB 4.36Å; E706-A900 HydrophobicContact CG-CB 3.57Å; E706-A900 WeakPolarHBondContact OE1-CB 3.4Å; N898-A900 VanDerWaalsContact C-N 3.35Å; N898-A900 PolarHBondContact O-N 2.96Å; N898-A900 WeakPolarHBondContact OD1-CA 3.36Å; N898-A900 WeakPolarHBondContact OD1-CB 3.47Å; N898-A900 PolarHBondContact OD1-N 3.28Å; A900-Q902 VanDerWaalsContact C-N 3.33Å; A900-Q902 PolarHBondContact O-N 3.2Å; A900-V903 WeakPolarHBondContact O-CB 3.49Å; A900-V903 PolarHBondContact O-N 2.95Å; A900-E904 WeakPolarHBondContact O-CG 3.42Å; A900-E904 PolarHBondContact O-N 3.48Å; A900-L948 HydrophobicContact CB-CD1 4.3Å; A900-L948 HydrophobicContact CB-CD2 3.99Å
901E90Very high90.1Very high16 Ų1642.2 Ų42.28%0.07520%0.199CC..Hα-helixtrans-62.2-41.4174.7-169.6178.9-165.600111.4F705 W880 R892 T896 N898 V903 E904 I905F705-E901 HydrophobicContact CE1-CB 3.74Å; F705-E901 HydrophobicContact CE1-CG 4.25Å; F705-E901 HydrophobicContact CZ-CB 3.99Å; F705-E901 HydrophobicContact CZ-CG 3.97Å; W880-E901 HydrophobicContact CH2-CG 4.32Å; R892-E901 IonicContact CZ-OE1 3.59Å; R892-E901 IonicContact CZ-OE2 3.6Å; R892-E901 IonicContact NE-OE1 3.12Å; R892-E901 PolarHBondContact NE-OE1 2.85Å; R892-E901 IonicContact NH1-OE2 2.97Å; R892-E901 IonicContact NH2-OE1 2.8Å; R892-E901 PolarHBondContact NH2-OE1 3.28Å; R892-E901 IonicContact NH2-OE2 2.7Å; R892-E901 PolarHBondContact NH2-OE2 2.98Å; T896-E901 VanDerWaalsContact CB-OE2 3.24Å; T896-E901 WeakPolarHBondContact CB-OE2 3.49Å; T896-E901 HydrophobicContact CG2-CB 4.48Å; T896-E901 HydrophobicContact CG2-CG 4.33Å; T896-E901 PolarHBondContact OG1-OE2 3.05Å; N898-E901 HydrophobicContact CB-CB 3.98Å; N898-E901 PolarHBondContact O-N 3.34Å; N898-E901 PolarHBondContact OD1-N 2.95Å; E901-V903 VanDerWaalsContact C-N 3.33Å; E901-V903 PolarHBondContact O-N 3.05Å; E901-E904 PolarHBondContact O-N 3.23Å; E901-I905 HydrophobicContact CG-CD1 3.99Å; E901-I905 VanDerWaalsContact O-CG1 3.29Å; E901-I905 WeakPolarHBondContact O-CG1 3.41Å; E901-I905 PolarHBondContact O-N 3.42Å
902Q92.5Very high90.3Very high0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-59.5-43.7173.9-68.3176.4-13.100111.6N668 L893 T896 N898 L899 A900 I905 L906 V936N668-Q902 PolarHBondContact OD1-NE2 3.41Å; L893-Q902 HydrophobicContact CD1-CB 3.85Å; L893-Q902 HydrophobicContact CD1-CG 3.87Å; T896-Q902 HydrophobicContact CG2-CG 3.58Å; T896-Q902 PolarHBondContact O-NE2 3.15Å; N898-Q902 VanDerWaalsContact O-CG 3.31Å; N898-Q902 WeakPolarHBondContact O-CG 3.37Å; N898-Q902 PolarHBondContact O-N 3.49Å; L899-Q902 PolarHBondContact O-N 2.87Å; A900-Q902 VanDerWaalsContact C-N 3.33Å; A900-Q902 PolarHBondContact O-N 3.2Å; Q902-I905 PolarHBondContact O-N 3.44Å; Q902-L906 WeakPolarHBondContact O-CB 3.32Å; Q902-L906 VanDerWaalsContact O-CG 3.25Å; Q902-L906 WeakPolarHBondContact O-CG 3.43Å; Q902-L906 PolarHBondContact O-N 3.29Å; Q902-V936 HydrophobicContact CB-CG2 4.34Å
903V92.4Very high90.5Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-61.4-43.1175.51730000111.4M710 L899 A900 E901 L906 G907 V936 L948 Y951 T952M710-V903 HydrophobicContact CE-CG1 4.15Å; L899-V903 VanDerWaalsContact O-CG2 3.32Å; L899-V903 WeakPolarHBondContact O-CG2 3.12Å; L899-V903 PolarHBondContact O-N 2.97Å; A900-V903 WeakPolarHBondContact O-CB 3.49Å; A900-V903 PolarHBondContact O-N 2.95Å; E901-V903 VanDerWaalsContact C-N 3.33Å; E901-V903 PolarHBondContact O-N 3.05Å; V903-L906 PolarHBondContact O-N 2.99Å; V903-G907 PolarHBondContact O-N 3.49Å; V903-V936 HydrophobicContact CB-CG1 4.37Å; V903-V936 HydrophobicContact CG2-CG1 3.13Å; V903-L948 HydrophobicContact CB-CD2 4.24Å; V903-L948 HydrophobicContact CG1-CD2 4.34Å; V903-L948 HydrophobicContact CG2-CD2 4.09Å; V903-Y951 HydrophobicContact CG1-CD1 3.39Å; V903-Y951 HydrophobicContact CG1-CE1 3.74Å; V903-T952 HydrophobicContact CB-CG2 4.3Å; V903-T952 HydrophobicContact CG1-CG2 3.69Å; V903-T952 HydrophobicContact CG2-CG2 3.53Å
904E89.8Confident90.6Very high2 Ų241.2 Ų41.21%0.00920%0.204CC..Hα-helixtrans-64.3-45.8178.9-72.3-147.7107.700112.5T709 M710 K713 L881 A900 E901 L906 G907 R908T709-E904 VanDerWaalsContact CB-CD 3.49Å; T709-E904 WeakPolarHBondContact CB-OE1 3.45Å; T709-E904 WeakPolarHBondContact CB-OE2 3.44Å; T709-E904 WeakPolarHBondContact CG2-OE2 3.38Å; T709-E904 PolarHBondContact OG1-OE2 2.89Å; M710-E904 HydrophobicContact CE-CG 4.3Å; M710-E904 HydrophobicContact SD-CG 3.85Å; K713-E904 WeakPolarHBondContact CE-OE1 3.19Å; K713-E904 IonicContact NZ-OE1 2.96Å; K713-E904 PolarHBondContact NZ-OE1 3.28Å; L881-E904 HydrophobicContact CD2-CB 4.27Å; A900-E904 WeakPolarHBondContact O-CG 3.42Å; A900-E904 PolarHBondContact O-N 3.48Å; E901-E904 PolarHBondContact O-N 3.23Å; E904-L906 VanDerWaalsContact C-N 3.32Å; E904-L906 PolarHBondContact O-N 3.13Å; E904-G907 PolarHBondContact O-N 3.49Å; E904-R908 PolarHBondContact O-N 3.34Å
905I92.3Very high90.8Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-60.5-45.4177.1-68166.5000110.1W880 L881 L889 R892 L893 T896 E901 Q902 R908 L909W880-I905 HydrophobicContact CH2-CG1 4.31Å; L881-I905 HydrophobicContact CD1-CG1 4.08Å; L889-I905 HydrophobicContact CB-CG2 3.94Å; L889-I905 HydrophobicContact CD2-CG1 4.38Å; L889-I905 HydrophobicContact CD2-CG2 4.18Å; L889-I905 WeakPolarHBondContact O-CG2 3.33Å; R892-I905 HydrophobicContact CB-CD1 4.08Å; R892-I905 HydrophobicContact CG-CD1 3.68Å; L893-I905 HydrophobicContact CB-CG2 3.99Å; L893-I905 HydrophobicContact CD1-CB 4.3Å; L893-I905 HydrophobicContact CD1-CG2 4.22Å; L893-I905 HydrophobicContact CG-CG2 4.49Å; T896-I905 HydrophobicContact CG2-CD1 4.16Å; E901-I905 HydrophobicContact CG-CD1 3.99Å; E901-I905 VanDerWaalsContact O-CG1 3.29Å; E901-I905 WeakPolarHBondContact O-CG1 3.41Å; E901-I905 PolarHBondContact O-N 3.42Å; Q902-I905 PolarHBondContact O-N 3.44Å; I905-R908 PolarHBondContact O-N 3.05Å; I905-L909 HydrophobicContact CG2-CD1 4.03Å; I905-L909 HydrophobicContact CG2-CG 4.42Å; I905-L909 WeakPolarHBondContact O-CB 3.22Å; I905-L909 WeakPolarHBondContact O-CG 3.37Å; I905-L909 PolarHBondContact O-N 2.67Å
906L93.7Very high91.1Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-66.6-39177.5-71.6173000112.6L893 Q902 V903 E904 R908 L909 H910 V929 L932 L933 V936L893-L906 HydrophobicContact CD1-CG 4.31Å; L893-L906 HydrophobicContact CD2-CD2 3.73Å; L893-L906 HydrophobicContact CD2-CG 4.22Å; Q902-L906 WeakPolarHBondContact O-CB 3.32Å; Q902-L906 VanDerWaalsContact O-CG 3.25Å; Q902-L906 WeakPolarHBondContact O-CG 3.43Å; Q902-L906 PolarHBondContact O-N 3.29Å; V903-L906 PolarHBondContact O-N 2.99Å; E904-L906 VanDerWaalsContact C-N 3.32Å; E904-L906 PolarHBondContact O-N 3.13Å; L906-R908 VanDerWaalsContact C-N 3.29Å; L906-R908 PolarHBondContact O-N 3Å; L906-L909 HydrophobicContact CD2-CD1 4.43Å; L906-L909 PolarHBondContact O-N 3.02Å; L906-H910 VanDerWaalsContact O-CB 3.29Å; L906-H910 WeakPolarHBondContact O-CB 3.3Å; L906-H910 PolarHBondContact O-N 3.34Å; L906-V929 HydrophobicContact CD2-CG1 4.28Å; L906-L932 HydrophobicContact CD1-CB 4.01Å; L906-L932 HydrophobicContact CD2-CB 3.77Å; L906-L932 HydrophobicContact CD2-CD1 3.99Å; L906-L933 HydrophobicContact CB-CD1 4.29Å; L906-L933 HydrophobicContact CD1-CB 4.41Å; L906-L933 HydrophobicContact CD1-CD1 4.32Å; L906-V936 HydrophobicContact CD1-CB 4.32Å; L906-V936 HydrophobicContact CD1-CG2 3.71Å
907G91.4Very high91.4Very high1 Ų139.5 Ų39.51%0.0119%0.193CC..Hα-helixtrans-60.5-39.3173.400000111.9V903 E904 H910 Q911V903-G907 PolarHBondContact O-N 3.49Å; E904-G907 PolarHBondContact O-N 3.49Å; G907-H910 WeakPolarHBondContact O-CB 3.35Å; G907-Q911 WeakPolarHBondContact O-CG 3.45Å; G907-Q911 PolarHBondContact O-N 2.62Å; G907-Q911 VanDerWaalsContact O-N 3.12Å
908R91.1Very high91.6Very high54 Ų5437 Ų3720%0.20418%0.179CC..Hα-helixtrans-70.5-43174.7-175.159.3175.3157.7-0.3112.7L881 L889 E904 I905 L906 H910 Q911 L912L881-R908 HydrophobicContact CD2-CB 3.92Å; L881-R908 HydrophobicContact CD2-CG 4.35Å; L881-R908 HydrophobicContact CG-CB 4.11Å; L881-R908 HydrophobicContact CG-CG 4.14Å; L889-R908 HydrophobicContact CD1-CB 4.24Å; L889-R908 HydrophobicContact CD1-CG 3.69Å; E904-R908 PolarHBondContact O-N 3.34Å; I905-R908 PolarHBondContact O-N 3.05Å; L906-R908 VanDerWaalsContact C-N 3.29Å; L906-R908 PolarHBondContact O-N 3Å; R908-H910 VanDerWaalsContact C-N 3.28Å; R908-H910 PolarHBondContact O-N 2.9Å; R908-Q911 PolarHBondContact O-N 3.35Å; R908-L912 HydrophobicContact CG-CD1 4.02Å; R908-L912 HydrophobicContact CG-CG 4.47Å; R908-L912 WeakPolarHBondContact O-CG 3.48Å; R908-L912 PolarHBondContact O-N 3.27Å
909L93.6Very high91.6Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-61.1-39.8174.7-74.3173.4000111.4P886 L889 V890 I905 L906 L912 R913 W917 V929P886-L909 HydrophobicContact CB-CD2 3.92Å; L889-L909 HydrophobicContact CB-CD1 4.49Å; L889-L909 HydrophobicContact CB-CD2 3.9Å; L889-L909 HydrophobicContact CB-CG 4.17Å; L889-L909 HydrophobicContact CD1-CD2 3.91Å; L889-L909 HydrophobicContact CD1-CG 4.19Å; V890-L909 HydrophobicContact CG2-CD1 4.09Å; V890-L909 HydrophobicContact CG2-CD2 4.46Å; I905-L909 HydrophobicContact CG2-CD1 4.03Å; I905-L909 HydrophobicContact CG2-CG 4.42Å; I905-L909 WeakPolarHBondContact O-CB 3.22Å; I905-L909 WeakPolarHBondContact O-CG 3.37Å; I905-L909 PolarHBondContact O-N 2.67Å; L906-L909 HydrophobicContact CD2-CD1 4.43Å; L906-L909 PolarHBondContact O-N 3.02Å; L909-L912 PolarHBondContact O-N 2.85Å; L909-R913 PolarHBondContact O-N 2.87Å; L909-W917 HydrophobicContact CD2-CZ3 3.93Å; L909-V929 HydrophobicContact CB-CG2 3.99Å
910H93.4Very high91.4Very high54 Ų5437.1 Ų37.125%0.2519%0.191CC..Hα-helixtrans-56.8-50172.4166.5-123.3000111.5L906 G907 R908 L912 G914 L915 V929L906-H910 VanDerWaalsContact O-CB 3.29Å; L906-H910 WeakPolarHBondContact O-CB 3.3Å; L906-H910 PolarHBondContact O-N 3.34Å; G907-H910 WeakPolarHBondContact O-CB 3.35Å; R908-H910 VanDerWaalsContact C-N 3.28Å; R908-H910 PolarHBondContact O-N 2.9Å; H910-L912 VanDerWaalsContact C-N 3.32Å; H910-L912 PolarHBondContact O-N 3.47Å; H910-G914 VanDerWaalsContact O-CA 3.25Å; H910-G914 WeakPolarHBondContact O-CA 3.41Å; H910-G914 PolarHBondContact O-N 3.08Å; H910-L915 HydrophobicContact CB-CD2 4.4Å; H910-V929 HydrophobicContact CB-CG1 4.17Å
911Q89.9Confident91.2Very high111 Ų11138.6 Ų38.652%0.51920%0.199SC..Hα-helixtrans-61.7-36.9177-72174.5-8.900113.2G907 R908G907-Q911 WeakPolarHBondContact O-CG 3.45Å; G907-Q911 PolarHBondContact O-N 2.62Å; G907-Q911 VanDerWaalsContact O-N 3.12Å; R908-Q911 PolarHBondContact O-N 3.35Å
912L92.5Very high90.6Very high55 Ų5539.2 Ų39.229%0.28820%0.203SC..Hα-helixtrans-86.3-26.9-174.1-70.7177.4000114.8P886 L889 R908 L909 H910P886-L912 HydrophobicContact CG-CD1 4.11Å; L889-L912 HydrophobicContact CD1-CD1 4.11Å; R908-L912 HydrophobicContact CG-CD1 4.02Å; R908-L912 HydrophobicContact CG-CG 4.47Å; R908-L912 WeakPolarHBondContact O-CG 3.48Å; R908-L912 PolarHBondContact O-N 3.27Å; L909-L912 PolarHBondContact O-N 2.85Å; H910-L912 VanDerWaalsContact C-N 3.32Å; H910-L912 PolarHBondContact O-N 3.47Å
913R93Very high89.7Confident126 Ų12645.4 Ų45.448%0.47524%0.243SC..Hα-helixtrans-138.3-10.3-169.1-64.4-66.5-177.7-948.8114.6P886 L909 W917P886-R913 HydrophobicContact CB-CG 4.44Å; P886-R913 HydrophobicContact CG-CG 4.37Å; L909-R913 PolarHBondContact O-N 2.87Å; R913-W917 HydrophobicContact CB-CB 3.66Å; R913-W917 HydrophobicContact CB-CD2 3.72Å; R913-W917 HydrophobicContact CB-CE3 4.11Å; R913-W917 HydrophobicContact CB-CG 3.51Å; R913-W917 HydrophobicContact CG-CD2 3.83Å; R913-W917 HydrophobicContact CG-CE3 4.18Å; R913-W917 HydrophobicContact CG-CG 4.04Å
914G92.5Very high89.1Confident28 Ų2849.9 Ų49.929%0.28927%0.27SS..  trans82.6170.8-175.700000113.9H910H910-G914 VanDerWaalsContact O-CA 3.25Å; H910-G914 WeakPolarHBondContact O-CA 3.41Å; H910-G914 PolarHBondContact O-N 3.08Å
915L92.3Very high88.6Confident23 Ų2356 Ų5612%0.1230%0.299CS..THydrogen-bonded Turntrans-70.4-31.5-174.7-74175.8000113.7H910 W917 V929 R930 L933H910-L915 HydrophobicContact CB-CD2 4.4Å; L915-W917 VanDerWaalsContact C-N 3.33Å; L915-V929 HydrophobicContact CD2-CG1 4.31Å; L915-V929 PolarHBondContact O-N 3.23Å; L915-R930 HydrophobicContact CB-CB 4.18Å; L915-R930 VanDerWaalsContact CD1-NH1 3.34Å; L915-R930 WeakPolarHBondContact O-CB 3.09Å; L915-R930 PolarHBondContact O-N 3.36Å; L915-L933 HydrophobicContact CD2-CD2 4.11Å
916D93.7Very high88Confident109 Ų10960.1 Ų60.158%0.58333%0.326SS*.THydrogen-bonded Turntrans-92.94.6-172.8-58.1-53.2000113.1N918 R930D916-N918 PolarHBondContact O-N 3.16Å; D916-R930 IonicContact OD1-CZ 3.9Å; D916-R930 IonicContact OD1-NE 3.39Å; D916-R930 PolarHBondContact OD1-NE 3.25Å; D916-R930 IonicContact OD1-NH2 3.02Å; D916-R930 PolarHBondContact OD1-NH2 3.06Å; D916-R930 IonicContact OD2-CZ 2.71Å; D916-R930 IonicContact OD2-NE 3.17Å; D916-R930 IonicContact OD2-NH2 3.9Å; D916-R930 PolarHBondContact OD2-NH2 3.46Å
917W93.5Very high87.7Confident70 Ų7060.3 Ų60.327%0.26533%0.327SS..  trans-68125.1173.2-173.473.2000111P886 V890 L909 R913 L915 T919 T928 V929P886-W917 HydrophobicContact CB-CH2 4.12Å; V890-W917 HydrophobicContact CG2-CH2 4Å; V890-W917 HydrophobicContact CG2-CZ3 3.83Å; L909-W917 HydrophobicContact CD2-CZ3 3.93Å; R913-W917 HydrophobicContact CB-CB 3.66Å; R913-W917 HydrophobicContact CB-CD2 3.72Å; R913-W917 HydrophobicContact CB-CE3 4.11Å; R913-W917 HydrophobicContact CB-CG 3.51Å; R913-W917 HydrophobicContact CG-CD2 3.83Å; R913-W917 HydrophobicContact CG-CE3 4.18Å; R913-W917 HydrophobicContact CG-CG 4.04Å; L915-W917 VanDerWaalsContact C-N 3.33Å; W917-T919 HydrophobicContact CE3-CG2 4.13Å; W917-T919 HydrophobicContact CZ3-CG2 3.97Å; W917-T928 CarbonylContact O-C 3.52Å; W917-T928 VanDerWaalsContact O-CA 3.24Å; W917-T928 WeakPolarHBondContact O-CA 3.42Å; W917-V929 HydrophobicContact CB-CG2 4.5Å; W917-V929 HydrophobicContact CE3-CG2 4.12Å; W917-V929 PolarHBondContact O-N 3.41Å
918N89.5Confident87.8Confident74 Ų7461.5 Ų61.540%0.39633%0.334SS..BIsolated β-bridgetrans-80123.7178.1-1734.9000110.8D916 G920 A927D916-N918 PolarHBondContact O-N 3.16Å; N918-G920 VanDerWaalsContact C-N 3.32Å; N918-G920 PolarHBondContact OD1-N 3.39Å; N918-A927 PolarHBondContact OD1-N 2.88Å; N918-A927 PolarHBondContact OD1-O 2.87Å
919T88.9Confident87.9Confident12 Ų1258.9 Ų58.97%0.07432%0.324CS..  trans-79.1-14.3179640000113.6V890 W917 I921 A927 V929 L932V890-T919 HydrophobicContact CG2-CG2 4.16Å; W917-T919 HydrophobicContact CE3-CG2 4.13Å; W917-T919 HydrophobicContact CZ3-CG2 3.97Å; T919-I921 PolarHBondContact O-N 3.32Å; T919-I921 WeakPolarHBondContact OG1-CD1 3.32Å; T919-I921 VanDerWaalsContact OG1-CG1 3.27Å; T919-I921 WeakPolarHBondContact OG1-CG1 3.33Å; T919-A927 WeakPolarHBondContact CB-O 3.36Å; T919-A927 PolarHBondContact N-O 2.61Å; T919-A927 PolarHBondContact OG1-O 3.22Å; T919-V929 HydrophobicContact CG2-CG2 4.21Å; T919-L932 HydrophobicContact CG2-CD1 3.69Å
920G84.8Confident88Confident45 Ų4562.4 Ų62.446%0.46434%0.338SS..  trans64.223.2-177.100000113.9R894 N918R894-G920 PolarHBondContact NH2-O 2.88Å; N918-G920 VanDerWaalsContact C-N 3.32Å; N918-G920 PolarHBondContact OD1-N 3.39Å
921I83.7Confident88Confident31 Ų3161.7 Ų61.716%0.15934%0.339CS..  trans-71-45175.8-65174.3000111.1T666 L667 V890 L893 R894 T919 A927 L932T666-I921 HydrophobicContact CG2-CG2 4.35Å; L667-I921 HydrophobicContact CD2-CD1 4.3Å; V890-I921 HydrophobicContact CG1-CD1 4.19Å; V890-I921 HydrophobicContact CG1-CG1 3.84Å; L893-I921 HydrophobicContact CD2-CD1 3.93Å; R894-I921 HydrophobicContact CG-CD1 4.4Å; R894-I921 HydrophobicContact CG-CG1 4.28Å; R894-I921 HydrophobicContact CG-CG2 4.47Å; T919-I921 PolarHBondContact O-N 3.32Å; T919-I921 WeakPolarHBondContact OG1-CD1 3.32Å; T919-I921 VanDerWaalsContact OG1-CG1 3.27Å; T919-I921 WeakPolarHBondContact OG1-CG1 3.33Å; I921-A927 HydrophobicContact CB-CB 4.14Å; I921-L932 HydrophobicContact CD1-CD1 3.79Å
922D78.1Confident88.2Confident28 Ų2856.4 Ų56.415%0.1531%0.314CS..  trans-99.7123.6177.8-173.7-8.3000110T666 T924 Q925 A927T666-D922 HydrophobicContact CG2-CB 3.83Å; D922-T924 VanDerWaalsContact C-N 3.32Å; D922-T924 WeakPolarHBondContact OD1-CA 3.46Å; D922-T924 WeakPolarHBondContact OD1-CB 3.16Å; D922-T924 PolarHBondContact OD1-N 2.89Å; D922-T924 PolarHBondContact OD1-OG1 2.91Å; D922-T924 PolarHBondContact OD2-OG1 3.3Å; D922-Q925 WeakPolarHBondContact CB-O 3.35Å; D922-Q925 VanDerWaalsContact O-O 3.07Å; D922-A927 HydrophobicContact CB-CB 4.03Å
923P74.5Confident88.2Confident131 Ų13153.8 Ų53.885%0.85130%0.3SS*.SBendtrans-75.9-17.9174.729.7-33.8000113.4
924T79.5Confident88.2Confident93 Ų9353.5 Ų53.557%0.57130%0.303SS*.SBendtrans-92.1-33.5-173.468.60000113.6D922D922-T924 VanDerWaalsContact C-N 3.32Å; D922-T924 WeakPolarHBondContact OD1-CA 3.46Å; D922-T924 WeakPolarHBondContact OD1-CB 3.16Å; D922-T924 PolarHBondContact OD1-N 2.89Å; D922-T924 PolarHBondContact OD1-OG1 2.91Å; D922-T924 PolarHBondContact OD2-OG1 3.3Å
925Q78.3Confident88.1Confident132 Ų13253.3 Ų53.362%0.61729%0.294SS*.SBendtrans-137150.5176.3-68.2-166.75.700110.5D922 A927D922-Q925 WeakPolarHBondContact CB-O 3.35Å; D922-Q925 VanDerWaalsContact O-O 3.07Å; Q925-A927 PolarHBondContact O-N 2.96Å
926P80.2Confident88.1Confident86 Ų8652.2 Ų52.256%0.55829%0.288SS*.  trans-65.1104.1177.825.7-33000111.1T928P926-T928 HydrophobicContact CB-CG2 4.33Å; P926-T928 PolarHBondContact O-N 3.22Å
927A87.6Confident88Confident3 Ų347.7 Ų47.73%0.02526%0.263CS..  trans-7668.9172.200000110.7T666 N918 T919 I921 D922 Q925 S931 L932T666-A927 HydrophobicContact CG2-CB 4.35Å; N918-A927 PolarHBondContact OD1-N 2.88Å; N918-A927 PolarHBondContact OD1-O 2.87Å; T919-A927 WeakPolarHBondContact CB-O 3.36Å; T919-A927 PolarHBondContact N-O 2.61Å; T919-A927 PolarHBondContact OG1-O 3.22Å; I921-A927 HydrophobicContact CB-CB 4.14Å; D922-A927 HydrophobicContact CB-CB 4.03Å; Q925-A927 PolarHBondContact O-N 2.96Å; A927-S931 WeakPolarHBondContact CA-OG 3.42Å; A927-L932 HydrophobicContact CB-CD2 4.3Å
928T93.5Very high87.8Confident26 Ų2647.9 Ų47.916%0.1627%0.267CS..BIsolated β-bridgetrans-67155.3175.863.80000111.6W917 P926 R930 S931 L932W917-T928 CarbonylContact O-C 3.52Å; W917-T928 VanDerWaalsContact O-CA 3.24Å; W917-T928 WeakPolarHBondContact O-CA 3.42Å; P926-T928 HydrophobicContact CB-CG2 4.33Å; P926-T928 PolarHBondContact O-N 3.22Å; T928-R930 PolarHBondContact O-N 2.86Å; T928-R930 VanDerWaalsContact O-N 3.13Å; T928-S931 PolarHBondContact N-OG 3.13Å; T928-S931 PolarHBondContact O-N 3.43Å; T928-S931 PolarHBondContact O-OG 2.97Å; T928-S931 PolarHBondContact OG1-N 3.39Å; T928-L932 PolarHBondContact O-N 2.95Å; T928-L932 VanDerWaalsContact O-N 3.07Å
929V94Very high87.8Confident0 Ų045.9 Ų45.90%025%0.254CS..Hα-helixtrans-50.1-39.9172.7177.30000110.6L906 L909 H910 L915 W917 T919 L932 L933L906-V929 HydrophobicContact CD2-CG1 4.28Å; L909-V929 HydrophobicContact CB-CG2 3.99Å; H910-V929 HydrophobicContact CB-CG1 4.17Å; L915-V929 HydrophobicContact CD2-CG1 4.31Å; L915-V929 PolarHBondContact O-N 3.23Å; W917-V929 HydrophobicContact CB-CG2 4.5Å; W917-V929 HydrophobicContact CE3-CG2 4.12Å; W917-V929 PolarHBondContact O-N 3.41Å; T919-V929 HydrophobicContact CG2-CG2 4.21Å; V929-L932 PolarHBondContact O-N 2.8Å; V929-L933 WeakPolarHBondContact O-CB 3.1Å; V929-L933 PolarHBondContact O-N 3.23Å
930R94.6Very high87.8Confident74 Ų7445.3 Ų45.328%0.27925%0.251SS..Hα-helixtrans-59.2-46.4174.5-167.3-177.3-60.4-82.74.1113.1L915 D916 T928 K934 L956L915-R930 HydrophobicContact CB-CB 4.18Å; L915-R930 VanDerWaalsContact CD1-NH1 3.34Å; L915-R930 WeakPolarHBondContact O-CB 3.09Å; L915-R930 PolarHBondContact O-N 3.36Å; D916-R930 IonicContact OD1-CZ 3.9Å; D916-R930 IonicContact OD1-NE 3.39Å; D916-R930 PolarHBondContact OD1-NE 3.25Å; D916-R930 IonicContact OD1-NH2 3.02Å; D916-R930 PolarHBondContact OD1-NH2 3.06Å; D916-R930 IonicContact OD2-CZ 2.71Å; D916-R930 IonicContact OD2-NE 3.17Å; D916-R930 IonicContact OD2-NH2 3.9Å; D916-R930 PolarHBondContact OD2-NH2 3.46Å; T928-R930 PolarHBondContact O-N 2.86Å; T928-R930 VanDerWaalsContact O-N 3.13Å; R930-K934 VanDerWaalsContact O-CG 3.3Å; R930-K934 WeakPolarHBondContact O-CG 3.44Å; R930-K934 PolarHBondContact O-N 3.35Å; R930-L956 HydrophobicContact CG-CD2 4.33Å
931S93Very high87.9Confident39 Ų3944.3 Ų44.327%0.27324%0.235SC..Hα-helixtrans-64.8-44.2-179.7700000111.8A927 T928 K934 E935A927-S931 WeakPolarHBondContact CA-OG 3.42Å; T928-S931 PolarHBondContact N-OG 3.13Å; T928-S931 PolarHBondContact O-N 3.43Å; T928-S931 PolarHBondContact O-OG 2.97Å; T928-S931 PolarHBondContact OG1-N 3.39Å; S931-K934 WeakPolarHBondContact O-CB 3.44Å; S931-K934 PolarHBondContact O-N 2.97Å; S931-E935 PolarHBondContact O-N 3.17Å; S931-E935 VanDerWaalsContact O-N 3.08Å
932L93.7Very high87.9Confident0 Ų048.8 Ų48.80%026%0.255CS..Hα-helixtrans-67.4-39.6178.4-60.9175.8000111.5T666 L667 L893 L906 T919 I921 A927 T928 V929 K934 E935 V936T666-L932 HydrophobicContact CG2-CD2 4.2Å; L667-L932 HydrophobicContact CD1-CB 4.32Å; L667-L932 HydrophobicContact CD1-CD2 4.22Å; L667-L932 HydrophobicContact CD2-CD2 4.07Å; L667-L932 HydrophobicContact CG-CD2 3.91Å; L893-L932 HydrophobicContact CD2-CD1 3.94Å; L906-L932 HydrophobicContact CD1-CB 4.01Å; L906-L932 HydrophobicContact CD2-CB 3.77Å; L906-L932 HydrophobicContact CD2-CD1 3.99Å; T919-L932 HydrophobicContact CG2-CD1 3.69Å; I921-L932 HydrophobicContact CD1-CD1 3.79Å; A927-L932 HydrophobicContact CB-CD2 4.3Å; T928-L932 PolarHBondContact O-N 2.95Å; T928-L932 VanDerWaalsContact O-N 3.07Å; V929-L932 PolarHBondContact O-N 2.8Å; L932-K934 VanDerWaalsContact C-N 3.35Å; L932-E935 WeakPolarHBondContact O-CB 3.27Å; L932-E935 PolarHBondContact O-N 3.44Å; L932-V936 WeakPolarHBondContact O-CB 3.28Å; L932-V936 VanDerWaalsContact O-CG2 3.32Å; L932-V936 WeakPolarHBondContact O-CG2 3.26Å; L932-V936 PolarHBondContact O-N 3.39Å
933L94.1Very high88.2Confident0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-68.3-34.3177.1-170.965.1000111.9L906 L915 V929 Y937 T952 L955 L956L906-L933 HydrophobicContact CB-CD1 4.29Å; L906-L933 HydrophobicContact CD1-CB 4.41Å; L906-L933 HydrophobicContact CD1-CD1 4.32Å; L915-L933 HydrophobicContact CD2-CD2 4.11Å; V929-L933 WeakPolarHBondContact O-CB 3.1Å; V929-L933 PolarHBondContact O-N 3.23Å; L933-Y937 WeakPolarHBondContact O-CB 3.49Å; L933-Y937 PolarHBondContact O-N 2.74Å; L933-T952 HydrophobicContact CD1-CG2 3.86Å; L933-L955 HydrophobicContact CD1-CD1 4.23Å; L933-L955 HydrophobicContact CD2-CB 3.56Å; L933-L955 HydrophobicContact CD2-CD1 4.48Å; L933-L956 HydrophobicContact CB-CD2 3.97Å; L933-L956 HydrophobicContact CB-CG 4.39Å; L933-L956 HydrophobicContact CD2-CD2 3.65Å; L933-L956 HydrophobicContact CD2-CG 3.56Å; L933-L956 HydrophobicContact CG-CD1 4.22Å; L933-L956 HydrophobicContact CG-CD2 3.84Å; L933-L956 HydrophobicContact CG-CG 3.72Å
934K92.2Very high88.6Confident120 Ų12046 Ų4652%0.52224%0.237SC..Hα-helixtrans-63.4-40.9170.3-77.1174.2178.7-179.10112R930 S931 L932 Y937 E938 L956R930-K934 VanDerWaalsContact O-CG 3.3Å; R930-K934 WeakPolarHBondContact O-CG 3.44Å; R930-K934 PolarHBondContact O-N 3.35Å; S931-K934 WeakPolarHBondContact O-CB 3.44Å; S931-K934 PolarHBondContact O-N 2.97Å; L932-K934 VanDerWaalsContact C-N 3.35Å; K934-Y937 PolarHBondContact O-N 3.05Å; K934-E938 PolarHBondContact O-N 3.36Å; K934-L956 HydrophobicContact CG-CD1 4.26Å; K934-L956 HydrophobicContact CG-CD2 3.98Å
935E90.7Very high89.1Confident24 Ų2443 Ų4311%0.11222%0.22CC..Hα-helixtrans-66.4-44177-173.4-172.2127.200112I665 T666 L667 S931 L932 E938 R939I665-E935 HydrophobicContact CG2-CG 4.23Å; I665-E935 WeakPolarHBondContact CG2-OE1 3.3Å; T666-E935 WeakPolarHBondContact CA-OE2 3.22Å; T666-E935 WeakPolarHBondContact CB-OE2 3.31Å; T666-E935 VanDerWaalsContact N-CD 3.27Å; T666-E935 PolarHBondContact N-OE1 2.72Å; T666-E935 PolarHBondContact N-OE2 2.96Å; T666-E935 PolarHBondContact OG1-OE2 3.36Å; L667-E935 VanDerWaalsContact CB-OE1 3.27Å; L667-E935 WeakPolarHBondContact CB-OE1 3.2Å; L667-E935 PolarHBondContact N-OE1 3.04Å; S931-E935 PolarHBondContact O-N 3.17Å; S931-E935 VanDerWaalsContact O-N 3.08Å; L932-E935 WeakPolarHBondContact O-CB 3.27Å; L932-E935 PolarHBondContact O-N 3.44Å; E935-E938 PolarHBondContact O-N 3.04Å; E935-R939 PolarHBondContact O-N 3.18Å
936V92.3Very high89.9Confident0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-65.2-39.9175.3168.90000111.6L667 L899 Q902 V903 L906 L932 R939 A940 T952L667-V936 HydrophobicContact CD1-CG2 3.68Å; L899-V936 HydrophobicContact CD1-CB 4.42Å; L899-V936 HydrophobicContact CD1-CG1 3.81Å; L899-V936 HydrophobicContact CD1-CG2 4.46Å; L899-V936 HydrophobicContact CG-CG1 4.46Å; Q902-V936 HydrophobicContact CB-CG2 4.34Å; V903-V936 HydrophobicContact CB-CG1 4.37Å; V903-V936 HydrophobicContact CG2-CG1 3.13Å; L906-V936 HydrophobicContact CD1-CB 4.32Å; L906-V936 HydrophobicContact CD1-CG2 3.71Å; L932-V936 WeakPolarHBondContact O-CB 3.28Å; L932-V936 VanDerWaalsContact O-CG2 3.32Å; L932-V936 WeakPolarHBondContact O-CG2 3.26Å; L932-V936 PolarHBondContact O-N 3.39Å; V936-R939 PolarHBondContact O-N 3.42Å; V936-A940 WeakPolarHBondContact O-CB 3.39Å; V936-A940 PolarHBondContact O-N 2.96Å; V936-T952 HydrophobicContact CG1-CG2 4.21Å
937Y92.3Very high90.5Very high13 Ų1334.1 Ų34.15%0.05117%0.17CC..Hα-helixtrans-58.4-47.8171.8173.4-92000110.9Y555 L933 K934 R939 A940 T941 L949 T952 A953 L956 K958Y555-Y937 HydrophobicContact CD1-CE2 4.29Å; L933-Y937 WeakPolarHBondContact O-CB 3.49Å; L933-Y937 PolarHBondContact O-N 2.74Å; K934-Y937 PolarHBondContact O-N 3.05Å; Y937-R939 PolarHBondContact O-N 3.4Å; Y937-A940 CarbonylContact O-C 3.59Å; Y937-A940 WeakPolarHBondContact O-CA 3.36Å; Y937-A940 WeakPolarHBondContact O-CB 3.12Å; Y937-A940 PolarHBondContact O-N 3.23Å; Y937-A940 VanDerWaalsContact O-N 3.08Å; Y937-T941 HydrophobicContact CD1-CG2 4.32Å; Y937-T941 HydrophobicContact CE1-CG2 3.97Å; Y937-T941 WeakPolarHBondContact O-CG2 3.47Å; Y937-T941 PolarHBondContact O-N 3.21Å; Y937-L949 HydrophobicContact CD2-CD2 4.33Å; Y937-L949 HydrophobicContact CE2-CD2 4.03Å; Y937-T952 WeakPolarHBondContact CD2-OG1 3.15Å; Y937-A953 HydrophobicContact CE2-CB 4.06Å; Y937-L956 HydrophobicContact CD2-CD1 4.4Å; Y937-L956 HydrophobicContact CG-CD1 4.13Å; Y937-K958 HydrophobicContact CD2-CD 4.34Å; Y937-K958 HydrophobicContact CE1-CD 4.12Å; Y937-K958 VanDerWaalsContact CE1-CE 3.47Å; Y937-K958 HydrophobicContact CE2-CD 3.79Å
938E88.6Confident90.8Very high75 Ų7534.1 Ų34.135%0.3517%0.17SC..Hα-helixtrans-60.2-44.3177.7-168.167.2-158.700111.3K934 E935 A940 T941 Q942K934-E938 PolarHBondContact O-N 3.36Å; E935-E938 PolarHBondContact O-N 3.04Å; E938-A940 VanDerWaalsContact C-N 3.31Å; E938-A940 PolarHBondContact O-N 3.18Å; E938-T941 WeakPolarHBondContact O-CB 3.25Å; E938-T941 PolarHBondContact O-N 3.45Å; E938-T941 PolarHBondContact O-OG1 3.41Å; E938-Q942 PolarHBondContact O-N 3.28Å
939R89.2Confident90.9Very high32 Ų3232.9 Ų32.912%0.12116%0.162CC..Hα-helixtrans-63.7-35.7173.7-73.8-171.8-71.4135-2.1112.6L899 E935 V936 Y937 T941 Q942 T943L899-R939 HydrophobicContact CD1-CB 3.91Å; L899-R939 VanDerWaalsContact CD1-NH1 3.34Å; L899-R939 HydrophobicContact CD2-CB 4.43Å; E935-R939 PolarHBondContact O-N 3.18Å; V936-R939 PolarHBondContact O-N 3.42Å; Y937-R939 PolarHBondContact O-N 3.4Å; R939-T941 VanDerWaalsContact C-N 3.25Å; R939-T941 PolarHBondContact O-N 3.42Å; R939-Q942 WeakPolarHBondContact O-CB 3.38Å; R939-Q942 PolarHBondContact O-N 3.24Å; R939-Q942 VanDerWaalsContact O-N 3.13Å; R939-T943 PolarHBondContact O-N 3.1Å; R939-T943 PolarHBondContact O-OG1 2.98Å
940A89.3Confident90.9Very high0 Ų032.9 Ų32.90%016%0.162CC..Hα-helixtrans-65.3-2817300000112.4L899 V936 Y937 E938 Q942 T943 T944 S945 L948 L949L899-A940 HydrophobicContact CD2-CB 4.22Å; V936-A940 WeakPolarHBondContact O-CB 3.39Å; V936-A940 PolarHBondContact O-N 2.96Å; Y937-A940 CarbonylContact O-C 3.59Å; Y937-A940 WeakPolarHBondContact O-CA 3.36Å; Y937-A940 WeakPolarHBondContact O-CB 3.12Å; Y937-A940 PolarHBondContact O-N 3.23Å; Y937-A940 VanDerWaalsContact O-N 3.08Å; E938-A940 VanDerWaalsContact C-N 3.31Å; E938-A940 PolarHBondContact O-N 3.18Å; A940-Q942 VanDerWaalsContact C-N 3.35Å; A940-T943 PolarHBondContact O-OG1 3.02Å; A940-T944 VanDerWaalsContact O-CA 3.24Å; A940-T944 WeakPolarHBondContact O-CA 3.15Å; A940-T944 PolarHBondContact O-N 3.24Å; A940-S945 PolarHBondContact O-N 2.99Å; A940-L948 HydrophobicContact CB-CB 4.12Å; A940-L949 HydrophobicContact CB-CD2 3.89Å; A940-L949 HydrophobicContact CB-CG 4.14Å
941T87Confident90.9Very high24 Ų2430 Ų3015%0.14715%0.151CC..Hα-helixtrans-68.7-35.1171.673.50000111.9L558 Y937 E938 R939 T944 L949L558-T941 HydrophobicContact CD1-CG2 3.88Å; Y937-T941 HydrophobicContact CD1-CG2 4.32Å; Y937-T941 HydrophobicContact CE1-CG2 3.97Å; Y937-T941 WeakPolarHBondContact O-CG2 3.47Å; Y937-T941 PolarHBondContact O-N 3.21Å; E938-T941 WeakPolarHBondContact O-CB 3.25Å; E938-T941 PolarHBondContact O-N 3.45Å; E938-T941 PolarHBondContact O-OG1 3.41Å; R939-T941 VanDerWaalsContact C-N 3.25Å; R939-T941 PolarHBondContact O-N 3.42Å; T941-T944 VanDerWaalsContact O-CG2 3.3Å; T941-T944 WeakPolarHBondContact O-CG2 3.34Å; T941-L949 HydrophobicContact CG2-CD2 3.72Å
942Q83.8Confident91Very high124 Ų12428.2 Ų28.258%0.57914%0.138SC*.Hα-helixtrans-71.4-43.8178.7-62.4168.51.300111.2R596 E938 R939 A940 T944R596-Q942 PolarHBondContact NH2-O 3.36Å; E938-Q942 PolarHBondContact O-N 3.28Å; R939-Q942 WeakPolarHBondContact O-CB 3.38Å; R939-Q942 PolarHBondContact O-N 3.24Å; R939-Q942 VanDerWaalsContact O-N 3.13Å; A940-Q942 VanDerWaalsContact C-N 3.35Å; Q942-T944 VanDerWaalsContact C-N 3.33Å
943T83.9Confident91Very high78 Ų7828.2 Ų28.248%0.47914%0.138SC..Hα-helixtrans-78.3-17.3176.662.90000113.1R596 L899 R939 A940 S945R596-T943 PolarHBondContact NH2-O 3.41Å; L899-T943 HydrophobicContact CD2-CG2 4.36Å; R939-T943 PolarHBondContact O-N 3.1Å; R939-T943 PolarHBondContact O-OG1 2.98Å; A940-T943 PolarHBondContact O-OG1 3.02Å; T943-S945 VanDerWaalsContact C-N 3.28Å; T943-S945 PolarHBondContact O-N 3.4Å
944T83.1Confident91Very high22 Ų2228.5 Ų28.514%0.13514%0.142CC..THydrogen-bonded Turntrans4940.9-173720000114.2R596 A940 T941 Q942 W946R596-T944 VanDerWaalsContact NH1-CG2 3.35Å; R596-T944 PolarHBondContact NH1-OG1 3.14Å; R596-T944 PolarHBondContact NH2-OG1 2.76Å; A940-T944 VanDerWaalsContact O-CA 3.24Å; A940-T944 WeakPolarHBondContact O-CA 3.15Å; A940-T944 PolarHBondContact O-N 3.24Å; T941-T944 VanDerWaalsContact O-CG2 3.3Å; T941-T944 WeakPolarHBondContact O-CG2 3.34Å; Q942-T944 VanDerWaalsContact C-N 3.33Å; T944-W946 PolarHBondContact O-N 2.85Å; T944-W946 VanDerWaalsContact O-N 3.11Å
945S90Very high91Very high30 Ų3023.1 Ų23.121%0.2112%0.118CC..  trans-74101.9168.7177.30000108.9A940 T943 F947 L948 L949A940-S945 PolarHBondContact O-N 2.99Å; T943-S945 VanDerWaalsContact C-N 3.28Å; T943-S945 PolarHBondContact O-N 3.4Å; S945-F947 VanDerWaalsContact C-N 3.25Å; S945-F947 PolarHBondContact O-N 3.25Å; S945-L948 PolarHBondContact O-N 2.78Å; S945-L948 VanDerWaalsContact O-N 3.13Å; S945-L948 WeakPolarHBondContact OG-CG 3.46Å; S945-L949 WeakPolarHBondContact O-CB 3.44Å; S945-L949 WeakPolarHBondContact O-CG 3.48Å; S945-L949 PolarHBondContact O-N 3.4Å
946W94.3Very high91.2Very high28 Ų2822.9 Ų22.911%0.10612%0.118CC..Hα-helixtrans-61.3-34.3-175.6-59109.5000113.1Y555 L558 D559 T944 L949 R950 P1074Y555-W946 HydrophobicContact CD2-CE3 4.34Å; Y555-W946 HydrophobicContact CD2-CZ3 4.19Å; L558-W946 HydrophobicContact CB-CH2 3.89Å; L558-W946 HydrophobicContact CB-CZ3 4.26Å; D559-W946 HydrophobicContact CB-CH2 3.74Å; D559-W946 HydrophobicContact CB-CZ2 4.06Å; T944-W946 PolarHBondContact O-N 2.85Å; T944-W946 VanDerWaalsContact O-N 3.11Å; W946-L949 HydrophobicContact CE3-CD1 3.77Å; W946-L949 HydrophobicContact CZ3-CD1 3.94Å; W946-L949 PolarHBondContact O-N 2.82Å; W946-R950 WeakPolarHBondContact O-CB 3.36Å; W946-R950 WeakPolarHBondContact O-CG 3.4Å; W946-R950 PolarHBondContact O-N 3.37Å; W946-P1074 HydrophobicContact CE3-CG 4.05Å; W946-P1074 HydrophobicContact CH2-CG 4.3Å; W946-P1074 HydrophobicContact CZ3-CG 3.86Å
947F94.4Very high91.1Very high4 Ų425.5 Ų25.52%0.01815%0.145CC..Hα-helixtrans-61.4-52.5173.3-172.7-79.9000110.8M710 K713 S945 L949 R950 Y951 L1012 Y1067 F1070M710-F947 HydrophobicContact CB-CD1 4.18Å; M710-F947 HydrophobicContact CB-CE1 3.54Å; M710-F947 HydrophobicContact CB-CE2 4.28Å; M710-F947 HydrophobicContact CB-CZ 3.58Å; M710-F947 HydrophobicContact CE-CD1 3.81Å; M710-F947 HydrophobicContact CE-CE1 3.4Å; M710-F947 VanDerWaalsContact CE-CE1 3.4Å; M710-F947 HydrophobicContact CG-CD1 4.23Å; M710-F947 HydrophobicContact CG-CE1 3.73Å; M710-F947 HydrophobicContact CG-CZ 4.28Å; M710-F947 WeakPolarHBondContact O-CZ 3.41Å; M710-F947 HydrophobicContact SD-CD1 4.45Å; M710-F947 HydrophobicContact SD-CE1 3.62Å; M710-F947 HydrophobicContact SD-CZ 4.3Å; K713-F947 HydrophobicContact CG-CZ 4.28Å; S945-F947 VanDerWaalsContact C-N 3.25Å; S945-F947 PolarHBondContact O-N 3.25Å; F947-L949 VanDerWaalsContact C-N 3.31Å; F947-L949 PolarHBondContact O-N 3.27Å; F947-R950 PolarHBondContact O-N 3.46Å; F947-Y951 WeakPolarHBondContact O-CB 3.37Å; F947-Y951 PolarHBondContact O-N 3.11Å; F947-L1012 HydrophobicContact CE2-CD1 3.98Å; F947-L1012 HydrophobicContact CZ-CD1 3.75Å; F947-Y1067 AromaticContact CD2-CD2 3.78Å; F947-Y1067 HydrophobicContact CD2-CD2 3.78Å; F947-Y1067 AromaticContact CD2-CE2 3.8Å; F947-Y1067 HydrophobicContact CD2-CE2 3.8Å; F947-Y1067 AromaticContact CE2-CD2 3.78Å; F947-Y1067 HydrophobicContact CE2-CD2 3.78Å; F947-Y1067 HydrophobicContact CE2-CE2 4.12Å; F947-Y1067 HydrophobicContact CG-CE2 4.1Å; F947-F1070 WeakPolarHBondContact CA-O 3.39Å; F947-F1070 HydrophobicContact CD2-CB 3.65Å; F947-F1070 HydrophobicContact CE2-CB 3.76Å; F947-F1070 HydrophobicContact CE2-CD2 4.44Å; F947-F1070 PolarHBondContact N-O 3.41Å
948L93.7Very high91.1Very high4 Ų427.3 Ų27.32%0.02115%0.153CC..Hα-helixtrans-63.6-38.4180-61.8-178.7000111.2M710 L899 A900 V903 A940 S945 Y951 T952M710-L948 HydrophobicContact CE-CD2 3.41Å; M710-L948 VanDerWaalsContact CE-CD2 3.41Å; L899-L948 HydrophobicContact CB-CD1 4.37Å; L899-L948 HydrophobicContact CD2-CD1 3.87Å; L899-L948 HydrophobicContact CG-CD1 4Å; A900-L948 HydrophobicContact CB-CD1 4.3Å; A900-L948 HydrophobicContact CB-CD2 3.99Å; V903-L948 HydrophobicContact CB-CD2 4.24Å; V903-L948 HydrophobicContact CG1-CD2 4.34Å; V903-L948 HydrophobicContact CG2-CD2 4.09Å; A940-L948 HydrophobicContact CB-CB 4.12Å; S945-L948 PolarHBondContact O-N 2.78Å; S945-L948 VanDerWaalsContact O-N 3.13Å; S945-L948 WeakPolarHBondContact OG-CG 3.46Å; L948-Y951 PolarHBondContact O-N 2.88Å; L948-T952 VanDerWaalsContact O-CB 3.28Å; L948-T952 WeakPolarHBondContact O-CB 3.48Å; L948-T952 VanDerWaalsContact O-CG2 3.26Å; L948-T952 WeakPolarHBondContact O-CG2 3.36Å; L948-T952 PolarHBondContact O-N 2.98Å; L948-T952 PolarHBondContact O-OG1 3.32Å
949L94Very high91.1Very high0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-61.4-48.5175.8-76.3171.5000112.1Y555 L558 Y937 A940 T941 S945 W946 F947 T952 A953Y555-L949 HydrophobicContact CD1-CB 4.43Å; Y555-L949 HydrophobicContact CD2-CB 4.45Å; Y555-L949 HydrophobicContact CG-CB 4.27Å; L558-L949 HydrophobicContact CD1-CD1 4.12Å; Y937-L949 HydrophobicContact CD2-CD2 4.33Å; Y937-L949 HydrophobicContact CE2-CD2 4.03Å; A940-L949 HydrophobicContact CB-CD2 3.89Å; A940-L949 HydrophobicContact CB-CG 4.14Å; T941-L949 HydrophobicContact CG2-CD2 3.72Å; S945-L949 WeakPolarHBondContact O-CB 3.44Å; S945-L949 WeakPolarHBondContact O-CG 3.48Å; S945-L949 PolarHBondContact O-N 3.4Å; W946-L949 HydrophobicContact CE3-CD1 3.77Å; W946-L949 HydrophobicContact CZ3-CD1 3.94Å; W946-L949 PolarHBondContact O-N 2.82Å; F947-L949 VanDerWaalsContact C-N 3.31Å; F947-L949 PolarHBondContact O-N 3.27Å; L949-T952 PolarHBondContact O-OG1 3.12Å; L949-A953 WeakPolarHBondContact O-CB 3.2Å; L949-A953 PolarHBondContact O-N 3.01Å
950R95Very high91.1Very high0 Ų027.9 Ų27.90%015%0.153CC..Hα-helixtrans-60.1-48.6175.5-79.7-173.4-1741041.9111.5Y555 W946 F947 G954 L1012 I1015 E1019 F1070 M1072 T1077Y555-R950 HydrophobicContact CE2-CG 4.42Å; Y555-R950 WeakPolarHBondContact OH-CG 3.48Å; W946-R950 WeakPolarHBondContact O-CB 3.36Å; W946-R950 WeakPolarHBondContact O-CG 3.4Å; W946-R950 PolarHBondContact O-N 3.37Å; F947-R950 PolarHBondContact O-N 3.46Å; R950-G954 PolarHBondContact O-N 3.02Å; R950-L1012 HydrophobicContact CB-CD2 3.79Å; R950-I1015 HydrophobicContact CB-CG2 3.62Å; R950-I1015 HydrophobicContact CG-CG2 3.8Å; R950-E1019 IonicContact CZ-OE1 3.54Å; R950-E1019 IonicContact CZ-OE2 2.75Å; R950-E1019 IonicContact NE-OE1 3.73Å; R950-E1019 PolarHBondContact NE-OE1 2.85Å; R950-E1019 IonicContact NE-OE2 2.92Å; R950-E1019 IonicContact NH2-OE1 2.88Å; R950-E1019 PolarHBondContact NH2-OE1 3.41Å; R950-E1019 IonicContact NH2-OE2 3.31Å; R950-E1019 PolarHBondContact NH2-OE2 3.25Å; R950-E1019 VanDerWaalsContact NH2-OE2 3.08Å; R950-F1070 WeakPolarHBondContact CD-O 3.49Å; R950-F1070 VanDerWaalsContact NH1-C 3.32Å; R950-F1070 PolarHBondContact NH1-O 3.22Å; R950-M1072 VanDerWaalsContact CZ-O 3.23Å; R950-M1072 PolarHBondContact NH1-O 3.44Å; R950-M1072 PolarHBondContact NH2-O 2.91Å; R950-T1077 PolarHBondContact NH2-OG1 2.96Å
951Y94.8Very high90.8Very high14 Ų1431.5 Ų31.56%0.05517%0.173CC..Hα-helixtrans-67.1-48.2-175.8-171.8-133.9000112.1M710 K713 V903 F947 L948 G954 L955 L1012M710-Y951 HydrophobicContact CE-CD1 3.79Å; M710-Y951 HydrophobicContact CE-CE1 4.21Å; K713-Y951 HydrophobicContact CD-CE2 4.42Å; V903-Y951 HydrophobicContact CG1-CD1 3.39Å; V903-Y951 HydrophobicContact CG1-CE1 3.74Å; F947-Y951 WeakPolarHBondContact O-CB 3.37Å; F947-Y951 PolarHBondContact O-N 3.11Å; L948-Y951 PolarHBondContact O-N 2.88Å; Y951-G954 PolarHBondContact O-N 2.71Å; Y951-L955 HydrophobicContact CD1-CD1 4.05Å; Y951-L955 HydrophobicContact CD2-CD1 4.45Å; Y951-L955 HydrophobicContact CD2-CG 4.33Å; Y951-L955 HydrophobicContact CE1-CD1 3.75Å; Y951-L955 HydrophobicContact CE2-CD1 4.17Å; Y951-L955 HydrophobicContact CE2-CD2 4.21Å; Y951-L955 HydrophobicContact CE2-CG 4.08Å; Y951-L955 HydrophobicContact CG-CD1 4.39Å; Y951-L955 WeakPolarHBondContact O-CG 3.48Å; Y951-L955 PolarHBondContact O-N 2.95Å; Y951-L1012 HydrophobicContact CD2-CD2 4.27Å; Y951-L1012 HydrophobicContact CD2-CG 4.03Å; Y951-L1012 HydrophobicContact CG-CD2 4.49Å
952T94.1Very high90.7Very high0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-67.8-35178.255.10000112.5V903 L933 V936 Y937 L948 L949 L955 L956V903-T952 HydrophobicContact CB-CG2 4.3Å; V903-T952 HydrophobicContact CG1-CG2 3.69Å; V903-T952 HydrophobicContact CG2-CG2 3.53Å; L933-T952 HydrophobicContact CD1-CG2 3.86Å; V936-T952 HydrophobicContact CG1-CG2 4.21Å; Y937-T952 WeakPolarHBondContact CD2-OG1 3.15Å; L948-T952 VanDerWaalsContact O-CB 3.28Å; L948-T952 WeakPolarHBondContact O-CB 3.48Å; L948-T952 VanDerWaalsContact O-CG2 3.26Å; L948-T952 WeakPolarHBondContact O-CG2 3.36Å; L948-T952 PolarHBondContact O-N 2.98Å; L948-T952 PolarHBondContact O-OG1 3.32Å; L949-T952 PolarHBondContact O-OG1 3.12Å; T952-L955 PolarHBondContact O-N 3.43Å; T952-L956 WeakPolarHBondContact O-CB 3.44Å; T952-L956 WeakPolarHBondContact O-CG 3.38Å; T952-L956 PolarHBondContact O-N 2.9Å
953A94.3Very high91Very high0 Ų027.3 Ų27.30%016%0.158CC..Hα-helixtrans-62.2-45.1171.800000111.6Y555 Y937 L949 L956 G957 K958 I1015Y555-A953 HydrophobicContact CD1-CB 4.1Å; Y555-A953 HydrophobicContact CE1-CB 3.71Å; Y937-A953 HydrophobicContact CE2-CB 4.06Å; L949-A953 WeakPolarHBondContact O-CB 3.2Å; L949-A953 PolarHBondContact O-N 3.01Å; A953-L956 PolarHBondContact O-N 3.36Å; A953-G957 PolarHBondContact O-N 3.06Å; A953-K958 HydrophobicContact CB-CB 4.1Å; A953-K958 HydrophobicContact CB-CD 4.32Å; A953-K958 PolarHBondContact O-N 3.02Å; A953-I1015 HydrophobicContact CB-CD1 3.7Å; A953-I1015 HydrophobicContact CB-CG1 4.07Å
954G93.6Very high91.3Very high7 Ų724.3 Ų24.37%0.07214%0.14CC..Hα-helixtrans-62.1-46.3175.200000112.5R950 Y951 L956 G957R950-G954 PolarHBondContact O-N 3.02Å; Y951-G954 PolarHBondContact O-N 2.71Å; G954-L956 VanDerWaalsContact C-N 3.28Å; G954-L956 PolarHBondContact O-N 3.49Å; G954-G957 PolarHBondContact O-N 3.05Å
955L93.3Very high91.5Very high6 Ų626.3 Ų26.33%0.03115%0.148CC..Hα-helixtrans-62.1-33176.5-71.2174000113L933 Y951 T952 G957L933-L955 HydrophobicContact CD1-CD1 4.23Å; L933-L955 HydrophobicContact CD2-CB 3.56Å; L933-L955 HydrophobicContact CD2-CD1 4.48Å; Y951-L955 HydrophobicContact CD1-CD1 4.05Å; Y951-L955 HydrophobicContact CD2-CD1 4.45Å; Y951-L955 HydrophobicContact CD2-CG 4.33Å; Y951-L955 HydrophobicContact CE1-CD1 3.75Å; Y951-L955 HydrophobicContact CE2-CD1 4.17Å; Y951-L955 HydrophobicContact CE2-CD2 4.21Å; Y951-L955 HydrophobicContact CE2-CG 4.08Å; Y951-L955 HydrophobicContact CG-CD1 4.39Å; Y951-L955 WeakPolarHBondContact O-CG 3.48Å; Y951-L955 PolarHBondContact O-N 2.95Å; T952-L955 PolarHBondContact O-N 3.43Å; L955-G957 VanDerWaalsContact C-N 3.29Å
956L93.6Very high91.6Very high19 Ų1925.1 Ų25.110%0.09914%0.139CC..THydrogen-bonded Turntrans-79.6-7.8175.3-76.6170000113.7R930 L933 K934 Y937 T952 A953 G954 K958R930-L956 HydrophobicContact CG-CD2 4.33Å; L933-L956 HydrophobicContact CB-CD2 3.97Å; L933-L956 HydrophobicContact CB-CG 4.39Å; L933-L956 HydrophobicContact CD2-CD2 3.65Å; L933-L956 HydrophobicContact CD2-CG 3.56Å; L933-L956 HydrophobicContact CG-CD1 4.22Å; L933-L956 HydrophobicContact CG-CD2 3.84Å; L933-L956 HydrophobicContact CG-CG 3.72Å; K934-L956 HydrophobicContact CG-CD1 4.26Å; K934-L956 HydrophobicContact CG-CD2 3.98Å; Y937-L956 HydrophobicContact CD2-CD1 4.4Å; Y937-L956 HydrophobicContact CG-CD1 4.13Å; T952-L956 WeakPolarHBondContact O-CB 3.44Å; T952-L956 WeakPolarHBondContact O-CG 3.38Å; T952-L956 PolarHBondContact O-N 2.9Å; A953-L956 PolarHBondContact O-N 3.36Å; G954-L956 VanDerWaalsContact C-N 3.28Å; G954-L956 PolarHBondContact O-N 3.49Å; L956-K958 VanDerWaalsContact C-N 3.28Å; L956-K958 HydrophobicContact CB-CG 4.22Å; L956-K958 PolarHBondContact O-N 3.13Å
957G91.3Very high91.6Very high55 Ų5523.8 Ų23.857%0.56713%0.134SC*.THydrogen-bonded Turntrans62.334.9-170.900000112.5A953 G954 L955A953-G957 PolarHBondContact O-N 3.06Å; G954-G957 PolarHBondContact O-N 3.05Å; L955-G957 VanDerWaalsContact C-N 3.29Å
958K91.1Very high91.3Very high51 Ų5123.9 Ų23.922%0.22214%0.136CC..  trans-67.5142177.8-87.5-176.5160-80.60110.6A553 F554 Y937 A953 L956 Q1018A553-K958 PolarHBondContact O-NZ 3.08Å; F554-K958 HydrophobicContact CE2-CB 4.43Å; Y937-K958 HydrophobicContact CD2-CD 4.34Å; Y937-K958 HydrophobicContact CE1-CD 4.12Å; Y937-K958 VanDerWaalsContact CE1-CE 3.47Å; Y937-K958 HydrophobicContact CE2-CD 3.79Å; A953-K958 HydrophobicContact CB-CB 4.1Å; A953-K958 HydrophobicContact CB-CD 4.32Å; A953-K958 PolarHBondContact O-N 3.02Å; L956-K958 VanDerWaalsContact C-N 3.28Å; L956-K958 HydrophobicContact CB-CG 4.22Å; L956-K958 PolarHBondContact O-N 3.13Å; K958-Q1018 PolarHBondContact O-NE2 2.83Å; K958-Q1018 VanDerWaalsContact O-NE2 3.16Å
959R89.8Confident91.1Very high113 Ų11324.2 Ų24.243%0.42614%0.137SC..  trans-118.9145.9174.967.5-176.4177.1-149.711.2111.3F554 D997F554-R959 WeakPolarHBondContact CD2-O 3.34Å; R959-D997 IonicContact CZ-OD1 3.8Å; R959-D997 IonicContact NH1-OD1 3.26Å; R959-D997 PolarHBondContact NH1-OD1 2.83Å; R959-D997 IonicContact NH2-OD1 2.72Å
960A89.1Confident91.1Very high6 Ų624.2 Ų24.25%0.0514%0.137CC..  trans-77.9131.9167.800000110.2F554 S962 L963 I1022F554-A960 HydrophobicContact CD1-CB 3.93Å; F554-A960 HydrophobicContact CD2-CB 4.1Å; F554-A960 HydrophobicContact CE1-CB 4.07Å; F554-A960 HydrophobicContact CE2-CB 4.22Å; F554-A960 HydrophobicContact CG-CB 3.95Å; F554-A960 HydrophobicContact CZ-CB 4.21Å; A960-S962 PolarHBondContact O-N 3.4Å; A960-L963 HydrophobicContact CB-CB 4.34Å; A960-L963 WeakPolarHBondContact O-CB 3.37Å; A960-L963 PolarHBondContact O-N 2.96Å; A960-L963 VanDerWaalsContact O-N 3.1Å; A960-I1022 HydrophobicContact CB-CD1 3.59Å
961D83.7Confident90.9Very high77 Ų7725 Ų2541%0.41214%0.142SC..THydrogen-bonded Turntrans-59.6-36.2-178.8-70.2-17.3000112.4A553 L963A553-D961 WeakPolarHBondContact CB-OD2 3.06Å; D961-L963 VanDerWaalsContact C-N 3.25Å; D961-L963 PolarHBondContact O-N 3.34Å
962S84.1Confident90.7Very high55 Ų5524.5 Ų24.539%0.38514%0.14SC..THydrogen-bonded Turntrans-81.53-179.166.40000114.2A960 K965 S966A960-S962 PolarHBondContact O-N 3.4Å; S962-K965 PolarHBondContact O-N 3.35Å; S962-S966 WeakPolarHBondContact O-CB 3.25Å; S962-S966 PolarHBondContact O-N 3.44Å; S962-S966 PolarHBondContact O-OG 2.96Å
963L91Very high90.4Very high5 Ų526.1 Ų26.13%0.02615%0.149CC..Hα-helixtrans-62.6-49.5-169-175.870.2000112.7A960 D961 K965 S966 L967 L999 I1003 Q1018 L1021 I1022A960-L963 HydrophobicContact CB-CB 4.34Å; A960-L963 WeakPolarHBondContact O-CB 3.37Å; A960-L963 PolarHBondContact O-N 2.96Å; A960-L963 VanDerWaalsContact O-N 3.1Å; D961-L963 VanDerWaalsContact C-N 3.25Å; D961-L963 PolarHBondContact O-N 3.34Å; L963-K965 VanDerWaalsContact C-N 3.32Å; L963-K965 PolarHBondContact O-N 2.85Å; L963-S966 PolarHBondContact O-N 3.4Å; L963-L967 PolarHBondContact O-N 3.48Å; L963-L999 HydrophobicContact CD2-CD2 4.01Å; L963-L999 HydrophobicContact CD2-CG 4.18Å; L963-L999 HydrophobicContact CG-CD2 3.76Å; L963-L999 HydrophobicContact CG-CG 4.46Å; L963-I1003 HydrophobicContact CD2-CD1 4.01Å; L963-Q1018 HydrophobicContact CD1-CB 3.75Å; L963-Q1018 HydrophobicContact CD1-CG 3.9Å; L963-Q1018 HydrophobicContact CD2-CB 4.44Å; L963-Q1018 HydrophobicContact CD2-CG 3.71Å; L963-Q1018 HydrophobicContact CG-CG 4.46Å; L963-L1021 HydrophobicContact CD1-CB 4.27Å; L963-L1021 HydrophobicContact CD1-CD2 3.49Å; L963-L1021 VanDerWaalsContact CD1-CD2 3.49Å; L963-L1021 HydrophobicContact CG-CD2 4.14Å; L963-L1021 WeakPolarHBondContact O-CD2 3.2Å; L963-I1022 HydrophobicContact CD1-CG1 4.48Å
964A89Confident90.2Very high14 Ų1427.5 Ų27.512%0.11616%0.155CC..Hα-helixtrans-64.3-38.5178.700000111.7L967 A968 P996 L999A964-L967 WeakPolarHBondContact O-CB 3.45Å; A964-L967 PolarHBondContact O-N 3.41Å; A964-A968 PolarHBondContact O-N 2.88Å; A964-P996 HydrophobicContact CB-CB 4.36Å; A964-P996 HydrophobicContact CB-CG 3.88Å; A964-L999 HydrophobicContact CB-CD2 4.45Å
965K87.6Confident90.2Very high65 Ų6528.5 Ų28.528%0.28316%0.157SC..Hα-helixtrans-63.2-43.6173.8-176.5167.8-175.8159.60111.9S962 L963 L967 A968 D969S962-K965 PolarHBondContact O-N 3.35Å; L963-K965 VanDerWaalsContact C-N 3.32Å; L963-K965 PolarHBondContact O-N 2.85Å; K965-L967 VanDerWaalsContact C-N 3.31Å; K965-L967 PolarHBondContact O-N 3.45Å; K965-A968 WeakPolarHBondContact O-CB 3.35Å; K965-A968 PolarHBondContact O-N 2.94Å; K965-A968 VanDerWaalsContact O-N 3.17Å; K965-D969 VanDerWaalsContact O-CG 3.31Å; K965-D969 PolarHBondContact O-N 2.69Å
966S91.6Very high90.2Very high4 Ų429.3 Ų29.33%0.02816%0.161CC..Hα-helixtrans-62.3-37.1175.5-71.50000112.5S962 L963 I970 S1025S962-S966 WeakPolarHBondContact O-CB 3.25Å; S962-S966 PolarHBondContact O-N 3.44Å; S962-S966 PolarHBondContact O-OG 2.96Å; L963-S966 PolarHBondContact O-N 3.4Å; S966-I970 WeakPolarHBondContact O-CG1 3.3Å; S966-I970 PolarHBondContact O-N 3.33Å; S966-S1025 VanDerWaalsContact CB-CB 3.5Å; S966-S1025 WeakPolarHBondContact O-CB 3.29Å; S966-S1025 PolarHBondContact OG-OG 3.15Å
967L94.6Very high90.3Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-62.2-50.2171.517565.7000110.4L963 A964 K965 D969 I970 L971 V977 I990 L994 L999 L1021L963-L967 PolarHBondContact O-N 3.48Å; A964-L967 WeakPolarHBondContact O-CB 3.45Å; A964-L967 PolarHBondContact O-N 3.41Å; K965-L967 VanDerWaalsContact C-N 3.31Å; K965-L967 PolarHBondContact O-N 3.45Å; L967-D969 VanDerWaalsContact C-N 3.32Å; L967-D969 PolarHBondContact O-N 3.02Å; L967-I970 PolarHBondContact O-N 3.43Å; L967-L971 HydrophobicContact CD1-CD1 3.98Å; L967-L971 HydrophobicContact CD1-CD2 4.31Å; L967-L971 HydrophobicContact CD1-CG 3.98Å; L967-L971 HydrophobicContact CD2-CD1 4.23Å; L967-L971 HydrophobicContact CG-CD1 3.75Å; L967-L971 HydrophobicContact CG-CG 4.14Å; L967-L971 WeakPolarHBondContact O-CG 3.46Å; L967-L971 PolarHBondContact O-N 3.34Å; L967-V977 HydrophobicContact CD1-CB 4.12Å; L967-V977 HydrophobicContact CD1-CG1 4.46Å; L967-V977 HydrophobicContact CD1-CG2 3.99Å; L967-I990 HydrophobicContact CD1-CG2 3.95Å; L967-I990 HydrophobicContact CD2-CG2 3.77Å; L967-I990 HydrophobicContact CG-CG2 4.4Å; L967-L994 HydrophobicContact CD2-CB 4.36Å; L967-L994 HydrophobicContact CD2-CG 4.47Å; L967-L999 HydrophobicContact CB-CD2 4.05Å; L967-L999 HydrophobicContact CD2-CD1 3.91Å; L967-L999 HydrophobicContact CD2-CD2 3.85Å; L967-L999 HydrophobicContact CD2-CG 4.45Å; L967-L1021 HydrophobicContact CB-CD2 3.96Å; L967-L1021 HydrophobicContact CD1-CD1 4.2Å
968A88.7Confident90.6Very high7 Ų725.8 Ų25.86%0.05813%0.129CC..Hα-helixtrans-57.3-43.8-179.900000112A964 K965 I970 L971 V972A964-A968 PolarHBondContact O-N 2.88Å; K965-A968 WeakPolarHBondContact O-CB 3.35Å; K965-A968 PolarHBondContact O-N 2.94Å; K965-A968 VanDerWaalsContact O-N 3.17Å; A968-I970 PolarHBondContact O-N 3.17Å; A968-L971 PolarHBondContact O-N 2.77Å; A968-V972 WeakPolarHBondContact O-CB 3.49Å; A968-V972 VanDerWaalsContact O-CG2 3.23Å; A968-V972 WeakPolarHBondContact O-CG2 3.48Å; A968-V972 PolarHBondContact O-N 3.01Å
969D88.6Confident90.8Very high10 Ų1023.4 Ų23.45%0.05312%0.119CC..Hα-helixtrans-54.9-37176.1-69.1-25.5000112.4Q232 K965 L967 S1025 R1029Q232-D969 PolarHBondContact NE2-OD1 3.15Å; K965-D969 VanDerWaalsContact O-CG 3.31Å; K965-D969 PolarHBondContact O-N 2.69Å; L967-D969 VanDerWaalsContact C-N 3.32Å; L967-D969 PolarHBondContact O-N 3.02Å; D969-S1025 PolarHBondContact OD2-OG 2.88Å; D969-R1029 IonicContact OD2-NE 3.68Å
970I93.4Very high91Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-76.9-44.7179.6-64.8168.6000110.7S966 L967 A968 V972 L973 K975 V977 L1021 L1024 A1028 L1041S966-I970 WeakPolarHBondContact O-CG1 3.3Å; S966-I970 PolarHBondContact O-N 3.33Å; L967-I970 PolarHBondContact O-N 3.43Å; A968-I970 PolarHBondContact O-N 3.17Å; I970-V972 VanDerWaalsContact C-N 3.31Å; I970-V972 PolarHBondContact O-N 3.47Å; I970-L973 WeakPolarHBondContact O-CB 2.96Å; I970-L973 PolarHBondContact O-N 2.89Å; I970-K975 HydrophobicContact CG2-CB 4.12Å; I970-V977 HydrophobicContact CB-CG2 4.39Å; I970-V977 HydrophobicContact CG2-CG2 3.64Å; I970-L1021 HydrophobicContact CD1-CG 4.35Å; I970-L1024 HydrophobicContact CD1-CB 3.74Å; I970-A1028 HydrophobicContact CG1-CB 4.48Å; I970-L1041 HydrophobicContact CG2-CD1 3.62Å
971L92.3Very high91.1Very high17 Ų1718.3 Ų18.39%0.08910%0.099CC..Hα-helixtrans-64.7-37.3-178.8-65.8178.5000111.7L967 A968 L973 Q974 K975 V977 I990 A992 P993L967-L971 HydrophobicContact CD1-CD1 3.98Å; L967-L971 HydrophobicContact CD1-CD2 4.31Å; L967-L971 HydrophobicContact CD1-CG 3.98Å; L967-L971 HydrophobicContact CD2-CD1 4.23Å; L967-L971 HydrophobicContact CG-CD1 3.75Å; L967-L971 HydrophobicContact CG-CG 4.14Å; L967-L971 WeakPolarHBondContact O-CG 3.46Å; L967-L971 PolarHBondContact O-N 3.34Å; A968-L971 PolarHBondContact O-N 2.77Å; L971-L973 PolarHBondContact O-N 2.83Å; L971-Q974 WeakPolarHBondContact O-CA 3.44Å; L971-Q974 PolarHBondContact O-N 2.85Å; L971-K975 WeakPolarHBondContact CD2-O 3.35Å; L971-V977 HydrophobicContact CD2-CG2 4.46Å; L971-I990 HydrophobicContact CD1-CG2 4.45Å; L971-A992 WeakPolarHBondContact CD1-O 3.44Å; L971-P993 HydrophobicContact CD1-CB 4.29Å; L971-P993 HydrophobicContact CD1-CG 3.76Å; L971-P993 VanDerWaalsContact CD1-N 3.33Å
972V89.2Confident91.2Very high4 Ų415.6 Ų15.62%0.0249%0.086CC..Hα-helixtrans-55.8-35.2175.3164.40000111.6Y171 I235 A236 S239 A968 I970 Q974Y171-V972 HydrophobicContact CD2-CG2 3.37Å; Y171-V972 HydrophobicContact CE2-CG2 3.9Å; Y171-V972 HydrophobicContact CG-CG2 4.28Å; I235-V972 HydrophobicContact CB-CG1 4.04Å; I235-V972 HydrophobicContact CG2-CG1 3.73Å; A236-V972 HydrophobicContact CB-CG1 3.84Å; S239-V972 PolarHBondContact OG-O 2.88Å; A968-V972 WeakPolarHBondContact O-CB 3.49Å; A968-V972 VanDerWaalsContact O-CG2 3.23Å; A968-V972 WeakPolarHBondContact O-CG2 3.48Å; A968-V972 PolarHBondContact O-N 3.01Å; I970-V972 VanDerWaalsContact C-N 3.31Å; I970-V972 PolarHBondContact O-N 3.47Å; V972-Q974 PolarHBondContact O-N 3.49Å; V972-Q974 VanDerWaalsContact O-N 3.08Å; V972-Q974 PolarHBondContact O-NE2 3.41Å
973L89.5Confident91.2Very high34 Ų3417.4 Ų17.418%0.17810%0.096CC..THydrogen-bonded Turntrans-76.116.3174.4-62.2-179.1000114.4I235 I970 L971 K975 A1028 M1035I235-L973 HydrophobicContact CG2-CD2 3.53Å; I235-L973 HydrophobicContact CG2-CG 4.48Å; I970-L973 WeakPolarHBondContact O-CB 2.96Å; I970-L973 PolarHBondContact O-N 2.89Å; L971-L973 PolarHBondContact O-N 2.83Å; L973-K975 VanDerWaalsContact C-N 3.29Å; L973-K975 HydrophobicContact CB-CG 4.43Å; L973-K975 PolarHBondContact O-N 2.94Å; L973-A1028 HydrophobicContact CD1-CB 3.59Å; L973-M1035 HydrophobicContact CD1-CE 3.82Å
974Q89.5Confident90.7Very high28 Ų2821.3 Ų21.313%0.13111%0.114CC..THydrogen-bonded Turntrans60.839.7177.1-50.5-65.6-65.600112M240 R243 L971 V972M240-Q974 HydrophobicContact CG-CG 3.85Å; R243-Q974 VanDerWaalsContact NH2-CG 3.32Å; L971-Q974 WeakPolarHBondContact O-CA 3.44Å; L971-Q974 PolarHBondContact O-N 2.85Å; V972-Q974 PolarHBondContact O-N 3.49Å; V972-Q974 VanDerWaalsContact O-N 3.08Å; V972-Q974 PolarHBondContact O-NE2 3.41Å
975K92.6Very high90.5Very high28 Ų2825.8 Ų25.812%0.12214%0.143CC..  trans-116.4141.2175.5-55.5-152.5-177.2-63.10110.1I970 L971 L973 M1035 I1038 L1039 L1041I970-K975 HydrophobicContact CG2-CB 4.12Å; L971-K975 WeakPolarHBondContact CD2-O 3.35Å; L973-K975 VanDerWaalsContact C-N 3.29Å; L973-K975 HydrophobicContact CB-CG 4.43Å; L973-K975 PolarHBondContact O-N 2.94Å; K975-M1035 HydrophobicContact CD-CB 4.2Å; K975-M1035 HydrophobicContact CD-CE 4.27Å; K975-M1035 WeakPolarHBondContact CE-O 3.23Å; K975-M1035 PolarHBondContact NZ-O 3.33Å; K975-I1038 WeakPolarHBondContact CD-O 3.49Å; K975-I1038 WeakPolarHBondContact CE-O 3.37Å; K975-I1038 PolarHBondContact NZ-O 3.4Å; K975-L1039 WeakPolarHBondContact CA-O 3.2Å; K975-L1041 HydrophobicContact CD-CD1 4.33Å
976Q94.2Very high90.5Very high24 Ų2428.1 Ų28.111%0.11215%0.149CC..EExtended strand (participates in β ladder)trans-89.1153.4170.7-67.4175.6-24.200110D991 L1039 R1040 L1041Q976-D991 HydrophobicContact CG-CB 4.2Å; Q976-L1039 PolarHBondContact N-O 2.66Å; Q976-R1040 HydrophobicContact CB-CB 4.17Å; Q976-R1040 HydrophobicContact CB-CG 4Å; Q976-R1040 CarbonylContact O-C 3.52Å; Q976-R1040 VanDerWaalsContact O-CA 3.31Å; Q976-R1040 WeakPolarHBondContact O-CA 3.29Å; Q976-L1041 PolarHBondContact O-N 2.9Å
977V96.4Very high90.5Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-121.8141.4176.8177.90000108.7L967 I970 L971 I990 L1021 L1041 I1043L967-V977 HydrophobicContact CD1-CB 4.12Å; L967-V977 HydrophobicContact CD1-CG1 4.46Å; L967-V977 HydrophobicContact CD1-CG2 3.99Å; I970-V977 HydrophobicContact CB-CG2 4.39Å; I970-V977 HydrophobicContact CG2-CG2 3.64Å; L971-V977 HydrophobicContact CD2-CG2 4.46Å; V977-I990 HydrophobicContact CB-CB 4.47Å; V977-I990 PolarHBondContact N-O 2.61Å; V977-I990 PolarHBondContact O-N 3.14Å; V977-L1021 HydrophobicContact CG1-CD1 3.87Å; V977-L1041 CarbonylContact C-O 3.56Å; V977-L1041 WeakPolarHBondContact CA-O 3.43Å; V977-I1043 HydrophobicContact CG1-CD1 4.17Å; V977-I1043 HydrophobicContact CG1-CG1 3.8Å
978T95.6Very high90.5Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-123.7142167.5740000111.5E987 K988 V989 R1040 L1041 R1042 I1043T978-E987 WeakPolarHBondContact CB-OE1 3.3Å; T978-E987 HydrophobicContact CG2-CG 4.5Å; T978-E987 PolarHBondContact OG1-OE1 2.73Å; T978-K988 CarbonylContact C-O 3.59Å; T978-K988 WeakPolarHBondContact CA-O 3.46Å; T978-K988 WeakPolarHBondContact CB-O 3.46Å; T978-V989 HydrophobicContact CG2-CB 4.35Å; T978-V989 HydrophobicContact CG2-CG1 4.41Å; T978-V989 HydrophobicContact CG2-CG2 3.91Å; T978-R1040 HydrophobicContact CG2-CG 3.85Å; T978-L1041 PolarHBondContact N-O 2.53Å; T978-R1042 HydrophobicContact CG2-CG 4.44Å; T978-R1042 VanDerWaalsContact OG1-CA 3.26Å; T978-R1042 WeakPolarHBondContact OG1-CA 3.35Å; T978-R1042 WeakPolarHBondContact OG1-CB 3.01Å; T978-R1042 WeakPolarHBondContact OG1-CG 3.48Å; T978-I1043 VanDerWaalsContact O-CB 3.31Å; T978-I1043 WeakPolarHBondContact O-CB 3.44Å; T978-I1043 WeakPolarHBondContact O-CG1 3.5Å; T978-I1043 PolarHBondContact O-N 3.08Å
979V96.4Very high90.7Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-118.9153.8177.3-60.90000110.3E987 K988 I990 L1002 I1003 A1006 T1017 I1043V979-E987 CarbonylContact O-C 3.57Å; V979-E987 WeakPolarHBondContact O-CA 3.48Å; V979-K988 HydrophobicContact CG2-CB 4.06Å; V979-K988 PolarHBondContact N-O 2.85Å; V979-K988 PolarHBondContact O-N 3.44Å; V979-I990 HydrophobicContact CG1-CD1 4.1Å; V979-I990 HydrophobicContact CG2-CD1 4.31Å; V979-L1002 HydrophobicContact CG2-CD2 3.25Å; V979-I1003 HydrophobicContact CB-CG1 4.49Å; V979-I1003 HydrophobicContact CG1-CG1 4.23Å; V979-I1003 HydrophobicContact CG2-CG1 4.35Å; V979-A1006 HydrophobicContact CG2-CB 3.87Å; V979-T1017 HydrophobicContact CB-CG2 4.13Å; V979-T1017 HydrophobicContact CG1-CG2 3.78Å; V979-I1043 HydrophobicContact CG1-CG1 4.34Å
980G93Very high91Very high1 Ų132 Ų321%0.0117%0.168CC..SBendtrans86167.1-171.200000113.7G1044G980-G1044 WeakPolarHBondContact O-CA 3.48Å
981L91.3Very high90.7Very high11 Ų1137.6 Ų37.66%0.05820%0.198CC..SBendtrans-88.2140177.8-71.2169.4000110.5A716 L717 A720 R986 M1013 G1044 Q1048A716-L981 HydrophobicContact CB-CD1 4.32Å; L717-L981 HydrophobicContact CB-CD1 4.44Å; L717-L981 HydrophobicContact CD1-CD1 4.36Å; L717-L981 HydrophobicContact CD1-CD2 4.16Å; A720-L981 HydrophobicContact CB-CD1 4.46Å; L981-R986 PolarHBondContact O-NE 3.47Å; L981-R986 PolarHBondContact O-NH2 2.78Å; L981-M1013 HydrophobicContact CD2-CE 4.48Å; L981-M1013 HydrophobicContact CG-CE 4.29Å; L981-G1044 WeakPolarHBondContact CD2-O 3.5Å; L981-Q1048 HydrophobicContact CD2-CB 4.29Å
982P87.3Confident90.4Very high21 Ų2138.9 Ų38.914%0.13621%0.211CC..SBendtrans-64.3161.4178.525.5-33.7000113.4R986 E987 L1045P982-R986 PolarHBondContact O-NH2 3.47Å; P982-E987 WeakPolarHBondContact CB-OE2 3.23Å; P982-L1045 HydrophobicContact CG-CD1 4.38Å; P982-L1045 HydrophobicContact CG-CD2 3.58Å; P982-L1045 HydrophobicContact CG-CG 3.92Å
983P84.3Confident90.2Very high92 Ų9240.7 Ų40.760%0.59722%0.223SC*.SBendcis-84.8177.6-5.435.2-35.2000113.2R986 E987P983-R986 PolarHBondContact O-N 2.88Å; P983-E987 PolarHBondContact O-N 3.05Å
984E80.1Confident90.1Very high87 Ų8741.2 Ų41.241%0.40723%0.226SC..THydrogen-bonded Turntrans-57147.2164.6-63.3-177.8-175.800110.4E987E984-E987 HydrophobicContact CG-CB 4.37Å
985P84Confident89.9Confident109 Ų10942.2 Ų42.271%0.70824%0.236SC*.THydrogen-bonded Turncis-89.52.610.836.6-37.6000114.9K988P985-K988 WeakPolarHBondContact O-CE 3.24Å; P985-K988 PolarHBondContact O-NZ 3.43Å
986R87.1Confident89.5Confident113 Ų11343.3 Ų43.343%0.42625%0.246SC..THydrogen-bonded Turntrans-68.9-42.1177.8-178.8175.164.1-174.7-0111.1L981 P982 P983L981-R986 PolarHBondContact O-NE 3.47Å; L981-R986 PolarHBondContact O-NH2 2.78Å; P982-R986 PolarHBondContact O-NH2 3.47Å; P983-R986 PolarHBondContact O-N 2.88Å
987E92.4Very high89.1Confident6 Ų646.3 Ų46.33%0.02826%0.263CS..SBendtrans-73.4133.6167.7-175.7173.9-159.900110.2T978 V979 P982 P983 E984 R1042T978-E987 WeakPolarHBondContact CB-OE1 3.3Å; T978-E987 HydrophobicContact CG2-CG 4.5Å; T978-E987 PolarHBondContact OG1-OE1 2.73Å; V979-E987 CarbonylContact O-C 3.57Å; V979-E987 WeakPolarHBondContact O-CA 3.48Å; P982-E987 WeakPolarHBondContact CB-OE2 3.23Å; P983-E987 PolarHBondContact O-N 3.05Å; E984-E987 HydrophobicContact CG-CB 4.37Å; E987-R1042 VanDerWaalsContact CD-CZ 3.48Å; E987-R1042 IonicContact OE1-CZ 2.77Å; E987-R1042 IonicContact OE1-NE 3.68Å; E987-R1042 PolarHBondContact OE1-NE 3.38Å; E987-R1042 IonicContact OE1-NH1 3.29Å; E987-R1042 IonicContact OE1-NH2 3.82Å; E987-R1042 PolarHBondContact OE1-NH2 3.11Å; E987-R1042 VanDerWaalsContact OE1-NH2 3.11Å; E987-R1042 IonicContact OE2-CZ 3.74Å; E987-R1042 VanDerWaalsContact OE2-CZ 3.24Å; E987-R1042 IonicContact OE2-NE 3.56Å; E987-R1042 IonicContact OE2-NH1 2.9Å; E987-R1042 IonicContact OE2-NH2 2.85Å; E987-R1042 PolarHBondContact OE2-NH2 3.27Å
988K94.3Very high88.8Confident48 Ų4851.5 Ų51.521%0.20929%0.287CS..EExtended strand (participates in β ladder)trans-118131.4-178.8-57.9-64-171.2169.30109.6T978 V979 P985 L1002 E1005 A1006T978-K988 CarbonylContact C-O 3.59Å; T978-K988 WeakPolarHBondContact CA-O 3.46Å; T978-K988 WeakPolarHBondContact CB-O 3.46Å; V979-K988 HydrophobicContact CG2-CB 4.06Å; V979-K988 PolarHBondContact N-O 2.85Å; V979-K988 PolarHBondContact O-N 3.44Å; P985-K988 WeakPolarHBondContact O-CE 3.24Å; P985-K988 PolarHBondContact O-NZ 3.43Å; K988-L1002 HydrophobicContact CB-CD2 3.54Å; K988-L1002 HydrophobicContact CB-CG 4.17Å; K988-L1002 HydrophobicContact CG-CD2 4.1Å; K988-L1002 HydrophobicContact CG-CG 4.42Å; K988-E1005 VanDerWaalsContact CE-OE1 3.24Å; K988-E1005 WeakPolarHBondContact CE-OE1 3.36Å; K988-E1005 IonicContact NZ-OE1 2.67Å; K988-E1005 PolarHBondContact NZ-OE1 3.26Å; K988-E1005 IonicContact NZ-OE2 3.48Å; K988-A1006 HydrophobicContact CB-CB 4.45Å; K988-A1006 HydrophobicContact CG-CB 3.79Å
989V92.9Very high88.8Confident47 Ų4751.5 Ų51.529%0.28529%0.287SS..EExtended strand (participates in β ladder)trans-90.6137.4177.3-175.30000109.8T978T978-V989 HydrophobicContact CG2-CB 4.35Å; T978-V989 HydrophobicContact CG2-CG1 4.41Å; T978-V989 HydrophobicContact CG2-CG2 3.91Å
990I94.5Very high88.6Confident3 Ų352.7 Ų52.72%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-123.6113.4174.7-53169.4000107.4L967 L971 V977 V979 A992 L994 L999 L1002L967-I990 HydrophobicContact CD1-CG2 3.95Å; L967-I990 HydrophobicContact CD2-CG2 3.77Å; L967-I990 HydrophobicContact CG-CG2 4.4Å; L971-I990 HydrophobicContact CD1-CG2 4.45Å; V977-I990 HydrophobicContact CB-CB 4.47Å; V977-I990 PolarHBondContact N-O 2.61Å; V977-I990 PolarHBondContact O-N 3.14Å; V979-I990 HydrophobicContact CG1-CD1 4.1Å; V979-I990 HydrophobicContact CG2-CD1 4.31Å; I990-A992 WeakPolarHBondContact CG2-O 3.45Å; I990-L994 HydrophobicContact CD1-CD1 4.48Å; I990-L994 HydrophobicContact CG1-CD1 4.37Å; I990-L994 HydrophobicContact CG2-CD1 4Å; I990-L994 HydrophobicContact CG2-CG 4.26Å; I990-L999 HydrophobicContact CD1-CD1 3.8Å; I990-L1002 HydrophobicContact CD1-CD2 3.97Å; I990-L1002 HydrophobicContact CG1-CD1 4.3Å; I990-L1002 HydrophobicContact CG1-CD2 4.04Å
991D88.4Confident88.6Confident116 Ų11658 Ų5862%0.6232%0.323SS*.  trans-121.9-4.3-178.859.2-3.6000113.3Q976Q976-D991 HydrophobicContact CG-CB 4.2Å
992A85.1Confident88.8Confident44 Ų4459.2 Ų59.236%0.36433%0.33SS..SBendtrans-133.5150.3174.200000111.1L971 I990 L994L971-A992 WeakPolarHBondContact CD1-O 3.44Å; I990-A992 WeakPolarHBondContact CG2-O 3.45Å; A992-L994 PolarHBondContact O-N 2.83Å
993P85.4Confident89.2Confident43 Ų4358.3 Ų58.328%0.27932%0.324SS..  trans-60.8136.4175.8-28.640.7000111.7R172 L971R172-P993 HydrophobicContact CB-CB 4.24Å; R172-P993 HydrophobicContact CB-CG 3.68Å; L971-P993 HydrophobicContact CD1-CB 4.29Å; L971-P993 HydrophobicContact CD1-CG 3.76Å; L971-P993 VanDerWaalsContact CD1-N 3.33Å
994L87.5Confident89.6Confident44 Ų4457.7 Ų57.723%0.2331%0.313CS..  trans-111.9151.4-179-62.1177.4000110.4L967 I990 A992 Q998 L999 L1002L967-L994 HydrophobicContact CD2-CB 4.36Å; L967-L994 HydrophobicContact CD2-CG 4.47Å; I990-L994 HydrophobicContact CD1-CD1 4.48Å; I990-L994 HydrophobicContact CG1-CD1 4.37Å; I990-L994 HydrophobicContact CG2-CD1 4Å; I990-L994 HydrophobicContact CG2-CG 4.26Å; A992-L994 PolarHBondContact O-N 2.83Å; L994-Q998 HydrophobicContact CB-CB 4.24Å; L994-L999 HydrophobicContact CB-CB 4.12Å; L994-L999 HydrophobicContact CD1-CD1 4.3Å; L994-L1002 HydrophobicContact CD1-CD1 3.91Å
995S84.6Confident90.2Very high49 Ų4959.5 Ų59.534%0.34332%0.321SS..  trans-62.6155.7168.165.80000110.7D997 Q998 L999S995-D997 PolarHBondContact O-N 3.45Å; S995-Q998 VanDerWaalsContact N-OE1 3.15Å; S995-Q998 PolarHBondContact O-N 2.89Å; S995-Q998 WeakPolarHBondContact OG-CB 3.47Å; S995-Q998 WeakPolarHBondContact OG-CG 3.46Å; S995-Q998 PolarHBondContact OG-N 3.43Å; S995-Q998 PolarHBondContact OG-OE1 2.91Å; S995-L999 WeakPolarHBondContact O-CB 3.35Å; S995-L999 PolarHBondContact O-N 3.46Å
996P84.2Confident90.7Very high52 Ų5254.5 Ų54.534%0.33829%0.289SS..Hα-helixtrans-53.3-38.4179.3-27.434.6000113.8A964 C1000A964-P996 HydrophobicContact CB-CB 4.36Å; A964-P996 HydrophobicContact CB-CG 3.88Å; P996-C1000 PolarHBondContact O-N 2.8Å; P996-C1000 VanDerWaalsContact O-N 3.15Å; P996-C1000 PolarHBondContact O-SG 3.33Å
997D87Confident91Very high87 Ų8750 Ų5047%0.46527%0.274SS..Hα-helixtrans-71.4-49.4-179.7-61.4-38.6000111.2R959 S995 L999 C1000 D1001R959-D997 IonicContact CZ-OD1 3.8Å; R959-D997 IonicContact NH1-OD1 3.26Å; R959-D997 PolarHBondContact NH1-OD1 2.83Å; R959-D997 IonicContact NH2-OD1 2.72Å; S995-D997 PolarHBondContact O-N 3.45Å; D997-L999 VanDerWaalsContact C-N 3.29Å; D997-L999 PolarHBondContact O-N 3.42Å; D997-C1000 PolarHBondContact O-N 3.44Å; D997-C1000 VanDerWaalsContact O-N 3.1Å; D997-D1001 PolarHBondContact O-N 2.97Å
998Q89.9Confident90.8Very high108 Ų10851.3 Ų51.351%0.50529%0.29SS..Hα-helixtrans-58.1-40.6176.7-73.4168.1-35.800112.5L994 S995 L1002L994-Q998 HydrophobicContact CB-CB 4.24Å; S995-Q998 VanDerWaalsContact N-OE1 3.15Å; S995-Q998 PolarHBondContact O-N 2.89Å; S995-Q998 WeakPolarHBondContact OG-CB 3.47Å; S995-Q998 WeakPolarHBondContact OG-CG 3.46Å; S995-Q998 PolarHBondContact OG-N 3.43Å; S995-Q998 PolarHBondContact OG-OE1 2.91Å; Q998-L1002 VanDerWaalsContact O-CB 3.28Å; Q998-L1002 WeakPolarHBondContact O-CB 3.38Å; Q998-L1002 PolarHBondContact O-N 3.32Å
999L94.4Very high90.4Very high0 Ų057.4 Ų57.40%032%0.319CS..Hα-helixtrans-65.3-41.3177.4-179.254.7000111.6L963 A964 L967 I990 L994 S995 D997 I1003L963-L999 HydrophobicContact CD2-CD2 4.01Å; L963-L999 HydrophobicContact CD2-CG 4.18Å; L963-L999 HydrophobicContact CG-CD2 3.76Å; L963-L999 HydrophobicContact CG-CG 4.46Å; A964-L999 HydrophobicContact CB-CD2 4.45Å; L967-L999 HydrophobicContact CB-CD2 4.05Å; L967-L999 HydrophobicContact CD2-CD1 3.91Å; L967-L999 HydrophobicContact CD2-CD2 3.85Å; L967-L999 HydrophobicContact CD2-CG 4.45Å; I990-L999 HydrophobicContact CD1-CD1 3.8Å; L994-L999 HydrophobicContact CB-CB 4.12Å; L994-L999 HydrophobicContact CD1-CD1 4.3Å; S995-L999 WeakPolarHBondContact O-CB 3.35Å; S995-L999 PolarHBondContact O-N 3.46Å; D997-L999 VanDerWaalsContact C-N 3.29Å; D997-L999 PolarHBondContact O-N 3.42Å; L999-I1003 HydrophobicContact CD1-CD1 3.96Å; L999-I1003 HydrophobicContact CD1-CG1 4.22Å; L999-I1003 HydrophobicContact CG-CD1 4.03Å; L999-I1003 VanDerWaalsContact O-CG1 3.26Å; L999-I1003 WeakPolarHBondContact O-CG1 3.07Å; L999-I1003 PolarHBondContact O-N 3.28Å
1000C92.4Very high90.3Very high26 Ų2656.2 Ų56.218%0.17631%0.311CS..Hα-helixtrans-64.5-46.2177-69.40000111.4P996 D997 L1002 I1003 Q1004P996-C1000 PolarHBondContact O-N 2.8Å; P996-C1000 VanDerWaalsContact O-N 3.15Å; P996-C1000 PolarHBondContact O-SG 3.33Å; D997-C1000 PolarHBondContact O-N 3.44Å; D997-C1000 VanDerWaalsContact O-N 3.1Å; C1000-L1002 VanDerWaalsContact C-N 3.32Å; C1000-L1002 PolarHBondContact O-N 3.23Å; C1000-I1003 PolarHBondContact O-N 2.81Å; C1000-Q1004 WeakPolarHBondContact O-CB 3.39Å; C1000-Q1004 PolarHBondContact O-N 2.97Å
1001D93.8Very high90.2Very high113 Ų11356.8 Ų56.860%0.60432%0.316SS*.Hα-helixtrans-60.9-42.5179.2-68.7-20.2000111.2D997 Q1004 E1005D997-D1001 PolarHBondContact O-N 2.97Å; D1001-Q1004 PolarHBondContact O-N 3.04Å; D1001-E1005 WeakPolarHBondContact O-CB 3.27Å; D1001-E1005 PolarHBondContact O-N 2.69Å
1002L95.3Very high90.6Very high36 Ų3651.3 Ų51.319%0.18829%0.286CS..Hα-helixtrans-67.5-40.9179-170.3157.5000112.2V979 K988 I990 L994 Q998 C1000 E1005 A1006V979-L1002 HydrophobicContact CG2-CD2 3.25Å; K988-L1002 HydrophobicContact CB-CD2 3.54Å; K988-L1002 HydrophobicContact CB-CG 4.17Å; K988-L1002 HydrophobicContact CG-CD2 4.1Å; K988-L1002 HydrophobicContact CG-CG 4.42Å; I990-L1002 HydrophobicContact CD1-CD2 3.97Å; I990-L1002 HydrophobicContact CG1-CD1 4.3Å; I990-L1002 HydrophobicContact CG1-CD2 4.04Å; L994-L1002 HydrophobicContact CD1-CD1 3.91Å; Q998-L1002 VanDerWaalsContact O-CB 3.28Å; Q998-L1002 WeakPolarHBondContact O-CB 3.38Å; Q998-L1002 PolarHBondContact O-N 3.32Å; C1000-L1002 VanDerWaalsContact C-N 3.32Å; C1000-L1002 PolarHBondContact O-N 3.23Å; L1002-E1005 PolarHBondContact O-N 2.9Å; L1002-A1006 WeakPolarHBondContact O-CB 3.06Å; L1002-A1006 PolarHBondContact O-N 3.31Å
1003I95.8Very high91Very high2 Ų249.5 Ų49.51%0.0127%0.27CS..Hα-helixtrans-63.6-44173.5-67.8167.9000110.1L963 V979 L999 C1000 E1005 A1006 C1007 T1014 T1017 Q1018L963-I1003 HydrophobicContact CD2-CD1 4.01Å; V979-I1003 HydrophobicContact CB-CG1 4.49Å; V979-I1003 HydrophobicContact CG1-CG1 4.23Å; V979-I1003 HydrophobicContact CG2-CG1 4.35Å; L999-I1003 HydrophobicContact CD1-CD1 3.96Å; L999-I1003 HydrophobicContact CD1-CG1 4.22Å; L999-I1003 HydrophobicContact CG-CD1 4.03Å; L999-I1003 VanDerWaalsContact O-CG1 3.26Å; L999-I1003 WeakPolarHBondContact O-CG1 3.07Å; L999-I1003 PolarHBondContact O-N 3.28Å; C1000-I1003 PolarHBondContact O-N 2.81Å; I1003-E1005 PolarHBondContact O-N 3.36Å; I1003-A1006 PolarHBondContact O-N 2.95Å; I1003-C1007 WeakPolarHBondContact O-CB 3.38Å; I1003-C1007 PolarHBondContact O-N 3.46Å; I1003-T1014 HydrophobicContact CG2-CG2 4.02Å; I1003-T1017 HydrophobicContact CD1-CG2 4.43Å; I1003-T1017 HydrophobicContact CG1-CG2 4.34Å; I1003-T1017 HydrophobicContact CG2-CG2 4.03Å; I1003-Q1018 HydrophobicContact CD1-CG 4.24Å
1004Q92.7Very high91.5Very high78 Ų7847.8 Ų47.836%0.36426%0.259SS..Hα-helixtrans-63.5-41.2179-171.365.350.900111.6C1000 D1001 G1008C1000-Q1004 WeakPolarHBondContact O-CB 3.39Å; C1000-Q1004 PolarHBondContact O-N 2.97Å; D1001-Q1004 PolarHBondContact O-N 3.04Å; Q1004-G1008 PolarHBondContact NE2-O 3.3Å; Q1004-G1008 WeakPolarHBondContact O-CA 3.37Å; Q1004-G1008 PolarHBondContact O-N 3.16Å
1005E93.4Very high91.9Very high126 Ų12645.7 Ų45.759%0.58925%0.248SC*.Hα-helixtrans-62.1-44.3174.8-168-165.4158.500111.4K988 D1001 L1002 I1003K988-E1005 VanDerWaalsContact CE-OE1 3.24Å; K988-E1005 WeakPolarHBondContact CE-OE1 3.36Å; K988-E1005 IonicContact NZ-OE1 2.67Å; K988-E1005 PolarHBondContact NZ-OE1 3.26Å; K988-E1005 IonicContact NZ-OE2 3.48Å; D1001-E1005 WeakPolarHBondContact O-CB 3.27Å; D1001-E1005 PolarHBondContact O-N 2.69Å; L1002-E1005 PolarHBondContact O-N 2.9Å; I1003-E1005 PolarHBondContact O-N 3.36Å
1006A94Very high92.5Very high3 Ų343.3 Ų43.33%0.02523%0.232CC..Hα-helixtrans-71.3-35.9-177.900000113.5V979 K988 L1002 I1003V979-A1006 HydrophobicContact CG2-CB 3.87Å; K988-A1006 HydrophobicContact CB-CB 4.45Å; K988-A1006 HydrophobicContact CG-CB 3.79Å; L1002-A1006 WeakPolarHBondContact O-CB 3.06Å; L1002-A1006 PolarHBondContact O-N 3.31Å; I1003-A1006 PolarHBondContact O-N 2.95Å
1007C92.7Very high93.1Very high18 Ų1840.9 Ų40.912%0.12222%0.216CC..Hα-helixtrans-87.8-19179.6-68.10000113.5I1003 D1010 M1013 T1014I1003-C1007 WeakPolarHBondContact O-CB 3.38Å; I1003-C1007 PolarHBondContact O-N 3.46Å; C1007-D1010 WeakPolarHBondContact O-CB 3.03Å; C1007-D1010 PolarHBondContact O-N 3.49Å; C1007-M1013 HydrophobicContact CB-CB 4.34Å; C1007-T1014 VanDerWaalsContact CB-OG1 3.3Å; C1007-T1014 WeakPolarHBondContact CB-OG1 3.47Å
1008G88.8Confident93.6Very high35 Ų3537.1 Ų37.136%0.36120%0.195SC..THydrogen-bonded Turntrans63.7-132.5-18000000112.5Q1004 D1010Q1004-G1008 PolarHBondContact NE2-O 3.3Å; Q1004-G1008 WeakPolarHBondContact O-CA 3.37Å; Q1004-G1008 PolarHBondContact O-N 3.16Å; G1008-D1010 PolarHBondContact O-N 2.96Å
1009E86.2Confident93.9Very high175 Ų17532 Ų3282%0.81817%0.171SC*.THydrogen-bonded Turntrans-76.4-3.2178.9-62.1-174.2170.600113.7S1011E1009-S1011 PolarHBondContact O-N 3.43Å
1010D91.2Very high94Very high22 Ų2232 Ų3212%0.11817%0.171CC..  trans-7987.5-177.1-163.3-29.9000111.7S714 C1007 G1008 L1012 M1013 T1014S714-D1010 WeakPolarHBondContact CA-OD2 3.48Å; S714-D1010 VanDerWaalsContact CB-OD2 3.24Å; S714-D1010 WeakPolarHBondContact CB-OD2 3.37Å; S714-D1010 PolarHBondContact OG-OD2 3Å; C1007-D1010 WeakPolarHBondContact O-CB 3.03Å; C1007-D1010 PolarHBondContact O-N 3.49Å; G1008-D1010 PolarHBondContact O-N 2.96Å; D1010-L1012 PolarHBondContact O-N 2.9Å; D1010-L1012 PolarHBondContact OD1-N 2.96Å; D1010-M1013 HydrophobicContact CB-CB 3.93Å; D1010-M1013 HydrophobicContact CB-CG 4.29Å; D1010-M1013 VanDerWaalsContact CG-CB 3.49Å; D1010-M1013 VanDerWaalsContact CG-CG 3.46Å; D1010-M1013 PolarHBondContact O-N 3.16Å; D1010-M1013 PolarHBondContact OD1-N 3.45Å; D1010-M1013 VanDerWaalsContact OD2-CG 3.24Å; D1010-M1013 WeakPolarHBondContact OD2-CG 3.19Å; D1010-T1014 PolarHBondContact O-N 2.84Å; D1010-T1014 PolarHBondContact O-OG1 2.8Å
1011S92.6Very high94.3Very high16 Ų1630.7 Ų30.711%0.11216%0.163CC..Hα-helixtrans-59.7-33.3179.5-560000112.9E1009 I1015E1009-S1011 PolarHBondContact O-N 3.43Å; S1011-I1015 PolarHBondContact O-N 2.62Å
1012L95.1Very high94.3Very high1 Ų125.8 Ų25.81%0.00514%0.137CC..Hα-helixtrans-76.8-40.1-179.2-73.7172.8000111.8K713 F947 R950 Y951 D1010 T1014 I1015 L1016 F1070K713-L1012 HydrophobicContact CB-CD1 3.65Å; K713-L1012 HydrophobicContact CG-CD1 4.46Å; F947-L1012 HydrophobicContact CE2-CD1 3.98Å; F947-L1012 HydrophobicContact CZ-CD1 3.75Å; R950-L1012 HydrophobicContact CB-CD2 3.79Å; Y951-L1012 HydrophobicContact CD2-CD2 4.27Å; Y951-L1012 HydrophobicContact CD2-CG 4.03Å; Y951-L1012 HydrophobicContact CG-CD2 4.49Å; D1010-L1012 PolarHBondContact O-N 2.9Å; D1010-L1012 PolarHBondContact OD1-N 2.96Å; L1012-T1014 VanDerWaalsContact C-N 3.32Å; L1012-I1015 WeakPolarHBondContact O-CG2 3.48Å; L1012-I1015 PolarHBondContact O-N 2.75Å; L1012-L1016 VanDerWaalsContact O-CB 3.28Å; L1012-L1016 WeakPolarHBondContact O-CB 3.43Å; L1012-L1016 PolarHBondContact O-N 3.45Å; L1012-F1070 HydrophobicContact CB-CD1 3.97Å; L1012-F1070 HydrophobicContact CB-CD2 4.48Å; L1012-F1070 HydrophobicContact CB-CE1 3.69Å; L1012-F1070 HydrophobicContact CB-CE2 4.23Å; L1012-F1070 HydrophobicContact CB-CG 4.36Å; L1012-F1070 HydrophobicContact CB-CZ 3.83Å; L1012-F1070 HydrophobicContact CD1-CD1 4.47Å; L1012-F1070 HydrophobicContact CD1-CD2 3.79Å; L1012-F1070 HydrophobicContact CD1-CE2 4.02Å; L1012-F1070 HydrophobicContact CD1-CG 4.04Å; L1012-F1070 HydrophobicContact CD1-CZ 4.47Å; L1012-F1070 HydrophobicContact CD2-CB 4.45Å; L1012-F1070 HydrophobicContact CD2-CD1 4.3Å; L1012-F1070 HydrophobicContact CD2-CG 4.32Å; L1012-F1070 HydrophobicContact CG-CD1 4.49Å; L1012-F1070 HydrophobicContact CG-CG 4.49Å
1013M95Very high94.3Very high5 Ų524.1 Ų24.13%0.02513%0.128CC..Hα-helixtrans-64.2-39172.9-81.8-66.2-7000112L717 L981 C1007 D1010 I1015 L1016 T1017 I1047L717-M1013 HydrophobicContact CB-SD 4.38Å; L717-M1013 HydrophobicContact CD1-CE 4.46Å; L717-M1013 HydrophobicContact CD1-SD 4.16Å; L717-M1013 HydrophobicContact CD2-SD 3.67Å; L717-M1013 HydrophobicContact CG-SD 4.28Å; L981-M1013 HydrophobicContact CD2-CE 4.48Å; L981-M1013 HydrophobicContact CG-CE 4.29Å; C1007-M1013 HydrophobicContact CB-CB 4.34Å; D1010-M1013 HydrophobicContact CB-CB 3.93Å; D1010-M1013 HydrophobicContact CB-CG 4.29Å; D1010-M1013 VanDerWaalsContact CG-CB 3.49Å; D1010-M1013 VanDerWaalsContact CG-CG 3.46Å; D1010-M1013 PolarHBondContact O-N 3.16Å; D1010-M1013 PolarHBondContact OD1-N 3.45Å; D1010-M1013 VanDerWaalsContact OD2-CG 3.24Å; D1010-M1013 WeakPolarHBondContact OD2-CG 3.19Å; M1013-I1015 PolarHBondContact O-N 2.88Å; M1013-L1016 PolarHBondContact O-N 3Å; M1013-T1017 WeakPolarHBondContact O-CB 3.47Å; M1013-T1017 PolarHBondContact O-N 3.29Å; M1013-T1017 PolarHBondContact O-OG1 2.91Å; M1013-I1047 HydrophobicContact CE-CB 4.47Å; M1013-I1047 HydrophobicContact CE-CD1 4.1Å; M1013-I1047 HydrophobicContact CE-CG2 4.25Å; M1013-I1047 HydrophobicContact SD-CD1 4.32Å; M1013-I1047 HydrophobicContact SD-CG2 3.72Å
1014T95.5Very high94.3Very high7 Ų724 Ų244%0.04313%0.127CC..Hα-helixtrans-57.3-51.1177-590000110.7I1003 C1007 D1010 L1012 Q1018I1003-T1014 HydrophobicContact CG2-CG2 4.02Å; C1007-T1014 VanDerWaalsContact CB-OG1 3.3Å; C1007-T1014 WeakPolarHBondContact CB-OG1 3.47Å; D1010-T1014 PolarHBondContact O-N 2.84Å; D1010-T1014 PolarHBondContact O-OG1 2.8Å; L1012-T1014 VanDerWaalsContact C-N 3.32Å; T1014-Q1018 PolarHBondContact O-N 3.11Å
1015I95.6Very high94.3Very high0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-71.3-39.1-178-153.771.3000112.2F554 Y555 R950 A953 S1011 L1012 M1013 T1017 Q1018 E1019F554-I1015 HydrophobicContact CE2-CD1 3.63Å; F554-I1015 HydrophobicContact CZ-CD1 3.51Å; F554-I1015 HydrophobicContact CZ-CG1 4.02Å; Y555-I1015 HydrophobicContact CE1-CD1 4.31Å; Y555-I1015 HydrophobicContact CE1-CG1 3.97Å; Y555-I1015 WeakPolarHBondContact OH-CG1 3.32Å; R950-I1015 HydrophobicContact CB-CG2 3.62Å; R950-I1015 HydrophobicContact CG-CG2 3.8Å; A953-I1015 HydrophobicContact CB-CD1 3.7Å; A953-I1015 HydrophobicContact CB-CG1 4.07Å; S1011-I1015 PolarHBondContact O-N 2.62Å; L1012-I1015 WeakPolarHBondContact O-CG2 3.48Å; L1012-I1015 PolarHBondContact O-N 2.75Å; M1013-I1015 PolarHBondContact O-N 2.88Å; I1015-T1017 VanDerWaalsContact C-N 3.33Å; I1015-T1017 PolarHBondContact O-N 3.26Å; I1015-Q1018 WeakPolarHBondContact O-CB 3.26Å; I1015-Q1018 PolarHBondContact O-N 3.23Å; I1015-E1019 PolarHBondContact O-N 3.12Å
1016L97Very high94.2Very high0 Ų014.6 Ų14.60%08%0.083CC..Hα-helixtrans-68.9-34.6178.9-171.160.2000111.3L1012 M1013 Q1018 E1019 I1020 I1047 L1069 F1070 T1077L1012-L1016 VanDerWaalsContact O-CB 3.28Å; L1012-L1016 WeakPolarHBondContact O-CB 3.43Å; L1012-L1016 PolarHBondContact O-N 3.45Å; M1013-L1016 PolarHBondContact O-N 3Å; L1016-Q1018 VanDerWaalsContact C-N 3.31Å; L1016-Q1018 PolarHBondContact O-N 2.59Å; L1016-E1019 HydrophobicContact CD1-CB 4.37Å; L1016-E1019 PolarHBondContact O-N 3Å; L1016-I1020 HydrophobicContact CD1-CD1 4.37Å; L1016-I1020 HydrophobicContact CD1-CG1 4.37Å; L1016-I1020 HydrophobicContact CG-CG1 4.28Å; L1016-I1020 VanDerWaalsContact O-CG1 3.3Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.34Å; L1016-I1020 PolarHBondContact O-N 3.45Å; L1016-I1047 HydrophobicContact CB-CD1 4.35Å; L1016-I1047 HydrophobicContact CD2-CD1 4.33Å; L1016-I1047 HydrophobicContact CD2-CG1 4.27Å; L1016-I1047 HydrophobicContact CD2-CG2 3.67Å; L1016-I1047 HydrophobicContact CG-CD1 4.05Å; L1016-I1047 HydrophobicContact CG-CG1 4.28Å; L1016-L1069 HydrophobicContact CD2-CD2 3.91Å; L1016-L1069 HydrophobicContact CD2-CG 4.05Å; L1016-F1070 HydrophobicContact CB-CE1 4.28Å; L1016-F1070 HydrophobicContact CD2-CD1 4.02Å; L1016-F1070 HydrophobicContact CD2-CE1 3.62Å; L1016-T1077 HydrophobicContact CD1-CG2 4Å
1017T97.3Very high94.1Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-58.2-44.3172-63.50000111V979 I1003 M1013 I1015 I1020 L1021 I1043V979-T1017 HydrophobicContact CB-CG2 4.13Å; V979-T1017 HydrophobicContact CG1-CG2 3.78Å; I1003-T1017 HydrophobicContact CD1-CG2 4.43Å; I1003-T1017 HydrophobicContact CG1-CG2 4.34Å; I1003-T1017 HydrophobicContact CG2-CG2 4.03Å; M1013-T1017 WeakPolarHBondContact O-CB 3.47Å; M1013-T1017 PolarHBondContact O-N 3.29Å; M1013-T1017 PolarHBondContact O-OG1 2.91Å; I1015-T1017 VanDerWaalsContact C-N 3.33Å; I1015-T1017 PolarHBondContact O-N 3.26Å; T1017-I1020 PolarHBondContact O-N 3.15Å; T1017-L1021 WeakPolarHBondContact O-CB 3.28Å; T1017-L1021 PolarHBondContact O-N 2.95Å; T1017-I1043 HydrophobicContact CG2-CB 4.47Å; T1017-I1043 HydrophobicContact CG2-CG2 3.86Å
1018Q96.3Very high93.8Very high8 Ų814.1 Ų14.14%0.0378%0.079CC..Hα-helixtrans-61.1-45.7174.2-65.9-173.848.900112.2K958 L963 I1003 T1014 I1015 L1016 L1021 I1022K958-Q1018 PolarHBondContact O-NE2 2.83Å; K958-Q1018 VanDerWaalsContact O-NE2 3.16Å; L963-Q1018 HydrophobicContact CD1-CB 3.75Å; L963-Q1018 HydrophobicContact CD1-CG 3.9Å; L963-Q1018 HydrophobicContact CD2-CB 4.44Å; L963-Q1018 HydrophobicContact CD2-CG 3.71Å; L963-Q1018 HydrophobicContact CG-CG 4.46Å; I1003-Q1018 HydrophobicContact CD1-CG 4.24Å; T1014-Q1018 PolarHBondContact O-N 3.11Å; I1015-Q1018 WeakPolarHBondContact O-CB 3.26Å; I1015-Q1018 PolarHBondContact O-N 3.23Å; L1016-Q1018 VanDerWaalsContact C-N 3.31Å; L1016-Q1018 PolarHBondContact O-N 2.59Å; Q1018-L1021 PolarHBondContact O-N 2.92Å; Q1018-I1022 WeakPolarHBondContact O-CG1 3.4Å; Q1018-I1022 PolarHBondContact O-N 3.43Å; Q1018-I1022 VanDerWaalsContact O-N 3.13Å
1019E96.2Very high93.5Very high0 Ų016.6 Ų16.60%08%0.078CC..Hα-helixtrans-59.9-49.7177.1-70.2-167.7-152.200112.3Y555 L556 R950 I1015 L1016 L1021 I1022 Y1023Y555-E1019 WeakPolarHBondContact CE2-OE1 3.31Å; Y555-E1019 PolarHBondContact OH-OE1 2.76Å; L556-E1019 HydrophobicContact CD2-CG 4.03Å; R950-E1019 IonicContact CZ-OE1 3.54Å; R950-E1019 IonicContact CZ-OE2 2.75Å; R950-E1019 IonicContact NE-OE1 3.73Å; R950-E1019 PolarHBondContact NE-OE1 2.85Å; R950-E1019 IonicContact NE-OE2 2.92Å; R950-E1019 IonicContact NH2-OE1 2.88Å; R950-E1019 PolarHBondContact NH2-OE1 3.41Å; R950-E1019 IonicContact NH2-OE2 3.31Å; R950-E1019 PolarHBondContact NH2-OE2 3.25Å; R950-E1019 VanDerWaalsContact NH2-OE2 3.08Å; I1015-E1019 PolarHBondContact O-N 3.12Å; L1016-E1019 HydrophobicContact CD1-CB 4.37Å; L1016-E1019 PolarHBondContact O-N 3Å; E1019-L1021 VanDerWaalsContact C-N 3.29Å; E1019-L1021 PolarHBondContact O-N 2.78Å; E1019-I1022 WeakPolarHBondContact O-CB 3.36Å; E1019-I1022 PolarHBondContact O-N 3.33Å; E1019-I1022 VanDerWaalsContact O-N 3.15Å; E1019-Y1023 HydrophobicContact CB-CE2 3.82Å; E1019-Y1023 WeakPolarHBondContact O-CD1 3.37Å; E1019-Y1023 WeakPolarHBondContact O-CD2 3.28Å; E1019-Y1023 PolarHBondContact O-N 3.39Å; E1019-Y1023 PolarHBondContact OE2-OH 3.15Å
1020I97.7Very high93.3Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-62.4-38.7-178.7-64.3-50.3000110.8L1016 T1017 I1022 Y1023 L1024 I1043 I1046 I1047 M1050 T1077 L1081L1016-I1020 HydrophobicContact CD1-CD1 4.37Å; L1016-I1020 HydrophobicContact CD1-CG1 4.37Å; L1016-I1020 HydrophobicContact CG-CG1 4.28Å; L1016-I1020 VanDerWaalsContact O-CG1 3.3Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.34Å; L1016-I1020 PolarHBondContact O-N 3.45Å; T1017-I1020 PolarHBondContact O-N 3.15Å; I1020-I1022 PolarHBondContact O-N 3.07Å; I1020-Y1023 HydrophobicContact CD1-CD2 4.01Å; I1020-Y1023 HydrophobicContact CD1-CE2 4.39Å; I1020-Y1023 PolarHBondContact O-N 3.25Å; I1020-L1024 HydrophobicContact CG2-CD1 3.88Å; I1020-L1024 HydrophobicContact CG2-CG 4.23Å; I1020-L1024 WeakPolarHBondContact O-CB 3.37Å; I1020-L1024 VanDerWaalsContact O-CG 3.28Å; I1020-L1024 WeakPolarHBondContact O-CG 3.39Å; I1020-L1024 PolarHBondContact O-N 3.15Å; I1020-I1043 HydrophobicContact CB-CG2 4.06Å; I1020-I1043 HydrophobicContact CG2-CD1 4.24Å; I1020-I1043 HydrophobicContact CG2-CG2 3.93Å; I1020-I1046 HydrophobicContact CG2-CG2 4.15Å; I1020-I1047 HydrophobicContact CG1-CD1 4.11Å; I1020-I1047 HydrophobicContact CG1-CG1 3.75Å; I1020-M1050 HydrophobicContact CD1-CE 3.83Å; I1020-M1050 HydrophobicContact CD1-SD 3.67Å; I1020-M1050 HydrophobicContact CG1-SD 4.47Å; I1020-T1077 HydrophobicContact CD1-CG2 4.02Å; I1020-L1081 HydrophobicContact CD1-CD2 4.3Å; I1020-L1081 HydrophobicContact CG2-CD2 4.17Å
1021L97.2Very high93.1Very high0 Ų012.7 Ų12.70%06%0.063CC..Hα-helixtrans-61.3-43.4175.3-167.6109.7000111.8L963 L967 I970 V977 T1017 Q1018 E1019 L1024 S1025L963-L1021 HydrophobicContact CD1-CB 4.27Å; L963-L1021 HydrophobicContact CD1-CD2 3.49Å; L963-L1021 VanDerWaalsContact CD1-CD2 3.49Å; L963-L1021 HydrophobicContact CG-CD2 4.14Å; L963-L1021 WeakPolarHBondContact O-CD2 3.2Å; L967-L1021 HydrophobicContact CB-CD2 3.96Å; L967-L1021 HydrophobicContact CD1-CD1 4.2Å; I970-L1021 HydrophobicContact CD1-CG 4.35Å; V977-L1021 HydrophobicContact CG1-CD1 3.87Å; T1017-L1021 WeakPolarHBondContact O-CB 3.28Å; T1017-L1021 PolarHBondContact O-N 2.95Å; Q1018-L1021 PolarHBondContact O-N 2.92Å; E1019-L1021 VanDerWaalsContact C-N 3.29Å; E1019-L1021 PolarHBondContact O-N 2.78Å; L1021-L1024 PolarHBondContact O-N 3.25Å; L1021-S1025 PolarHBondContact O-N 3.48Å
1022I94.6Very high92.7Very high10 Ų1015 Ų155%0.0518%0.078CC..Hα-helixtrans-62.1-45.9175.2-67.5166.7000110.6L556 A960 L963 Q1018 E1019 I1020 L1024 S1025 M1026L556-I1022 HydrophobicContact CD1-CD1 3.8Å; A960-I1022 HydrophobicContact CB-CD1 3.59Å; L963-I1022 HydrophobicContact CD1-CG1 4.48Å; Q1018-I1022 WeakPolarHBondContact O-CG1 3.4Å; Q1018-I1022 PolarHBondContact O-N 3.43Å; Q1018-I1022 VanDerWaalsContact O-N 3.13Å; E1019-I1022 WeakPolarHBondContact O-CB 3.36Å; E1019-I1022 PolarHBondContact O-N 3.33Å; E1019-I1022 VanDerWaalsContact O-N 3.15Å; I1020-I1022 PolarHBondContact O-N 3.07Å; I1022-L1024 PolarHBondContact O-N 3.15Å; I1022-S1025 WeakPolarHBondContact O-CB 3.24Å; I1022-S1025 PolarHBondContact O-N 3.46Å; I1022-M1026 HydrophobicContact CG2-SD 4.45Å; I1022-M1026 WeakPolarHBondContact O-CG 3.45Å; I1022-M1026 PolarHBondContact O-N 3.32Å
1023Y95.6Very high92.3Very high0 Ų020.5 Ų20.50%010%0.103CC..Hα-helixtrans-65.7-38.3-179.8-56.4-23.3000112.2L556 F562 E1019 I1020 M1026 F1027 P1074 T1077 K1078 L1081L556-Y1023 HydrophobicContact CD2-CE1 4.43Å; L556-Y1023 VanDerWaalsContact CD2-OH 3.3Å; L556-Y1023 WeakPolarHBondContact CD2-OH 3.39Å; F562-Y1023 HydrophobicContact CD2-CE1 4.12Å; F562-Y1023 AromaticContact CE2-CD1 3.68Å; F562-Y1023 HydrophobicContact CE2-CD1 3.68Å; F562-Y1023 AromaticContact CE2-CE1 3.26Å; F562-Y1023 HydrophobicContact CE2-CE1 3.26Å; F562-Y1023 HydrophobicContact CZ-CD1 4.11Å; F562-Y1023 AromaticContact CZ-CE1 3.64Å; F562-Y1023 HydrophobicContact CZ-CE1 3.64Å; E1019-Y1023 HydrophobicContact CB-CE2 3.82Å; E1019-Y1023 WeakPolarHBondContact O-CD1 3.37Å; E1019-Y1023 WeakPolarHBondContact O-CD2 3.28Å; E1019-Y1023 PolarHBondContact O-N 3.39Å; E1019-Y1023 PolarHBondContact OE2-OH 3.15Å; I1020-Y1023 HydrophobicContact CD1-CD2 4.01Å; I1020-Y1023 HydrophobicContact CD1-CE2 4.39Å; I1020-Y1023 PolarHBondContact O-N 3.25Å; Y1023-M1026 HydrophobicContact CD1-SD 4.34Å; Y1023-M1026 WeakPolarHBondContact O-CB 3.39Å; Y1023-M1026 PolarHBondContact O-N 2.63Å; Y1023-F1027 WeakPolarHBondContact O-CD2 3.3Å; Y1023-F1027 PolarHBondContact O-N 3.43Å; Y1023-P1074 WeakPolarHBondContact OH-CA 3.26Å; Y1023-P1074 WeakPolarHBondContact OH-CB 3.48Å; Y1023-T1077 HydrophobicContact CD2-CG2 4.46Å; Y1023-T1077 HydrophobicContact CE2-CG2 3.81Å; Y1023-K1078 HydrophobicContact CD1-CB 4.26Å; Y1023-K1078 HydrophobicContact CD1-CG 4.35Å; Y1023-K1078 HydrophobicContact CD2-CB 4.1Å; Y1023-K1078 HydrophobicContact CE1-CB 4.5Å; Y1023-K1078 HydrophobicContact CE2-CB 4.36Å; Y1023-K1078 HydrophobicContact CG-CB 4.08Å; Y1023-K1078 HydrophobicContact CG-CG 4.15Å; Y1023-L1081 HydrophobicContact CD2-CD2 4.45Å
1024L96Very high91.8Very high0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-63.3-41.4173.6-73.4170.3000111.5I970 I1020 L1021 I1022 M1026 F1027 A1028 L1041 I1043 I1046 L1081 L1085I970-L1024 HydrophobicContact CD1-CB 3.74Å; I1020-L1024 HydrophobicContact CG2-CD1 3.88Å; I1020-L1024 HydrophobicContact CG2-CG 4.23Å; I1020-L1024 WeakPolarHBondContact O-CB 3.37Å; I1020-L1024 VanDerWaalsContact O-CG 3.28Å; I1020-L1024 WeakPolarHBondContact O-CG 3.39Å; I1020-L1024 PolarHBondContact O-N 3.15Å; L1021-L1024 PolarHBondContact O-N 3.25Å; I1022-L1024 PolarHBondContact O-N 3.15Å; L1024-M1026 VanDerWaalsContact C-N 3.3Å; L1024-M1026 PolarHBondContact O-N 2.8Å; L1024-F1027 PolarHBondContact O-N 3.31Å; L1024-A1028 VanDerWaalsContact O-CB 3.26Å; L1024-A1028 WeakPolarHBondContact O-CB 3.31Å; L1024-A1028 PolarHBondContact O-N 3.24Å; L1024-L1041 HydrophobicContact CD1-CD1 4.44Å; L1024-L1041 HydrophobicContact CD2-CD2 4.36Å; L1024-I1043 HydrophobicContact CD1-CD1 3.19Å; L1024-I1046 HydrophobicContact CD1-CD1 4.18Å; L1024-L1081 HydrophobicContact CD2-CD1 4.43Å; L1024-L1081 HydrophobicContact CD2-CD2 4.15Å; L1024-L1081 HydrophobicContact CG-CD2 4.12Å; L1024-L1085 HydrophobicContact CD2-CD1 3.97Å; L1024-L1085 HydrophobicContact CD2-CD2 4.49Å
1025S92.4Very high91.4Very high0 Ų021.3 Ų21.30%011%0.106CC..Hα-helixtrans-59.8-39.1171.3151.20000112.1S966 D969 L1021 I1022 A1028 R1029S966-S1025 VanDerWaalsContact CB-CB 3.5Å; S966-S1025 WeakPolarHBondContact O-CB 3.29Å; S966-S1025 PolarHBondContact OG-OG 3.15Å; D969-S1025 PolarHBondContact OD2-OG 2.88Å; L1021-S1025 PolarHBondContact O-N 3.48Å; I1022-S1025 WeakPolarHBondContact O-CB 3.24Å; I1022-S1025 PolarHBondContact O-N 3.46Å; S1025-A1028 WeakPolarHBondContact O-CB 3.11Å; S1025-A1028 PolarHBondContact O-N 3.34Å; S1025-R1029 PolarHBondContact O-N 2.77Å; S1025-R1029 PolarHBondContact O-NE 3.27Å
1026M91.2Very high90.9Very high6 Ų626.6 Ų26.63%0.0313%0.131CC..Hα-helixtrans-64.9-41.7175.3-65.7174.178.700111.7F562 D565 I1022 Y1023 L1024 R1029 T1030 K1078F562-M1026 HydrophobicContact CE2-CE 4.26Å; F562-M1026 HydrophobicContact CE2-SD 3.84Å; F562-M1026 HydrophobicContact CZ-CE 4.38Å; F562-M1026 HydrophobicContact CZ-SD 3.8Å; D565-M1026 WeakPolarHBondContact OD2-CE 3.44Å; I1022-M1026 HydrophobicContact CG2-SD 4.45Å; I1022-M1026 WeakPolarHBondContact O-CG 3.45Å; I1022-M1026 PolarHBondContact O-N 3.32Å; Y1023-M1026 HydrophobicContact CD1-SD 4.34Å; Y1023-M1026 WeakPolarHBondContact O-CB 3.39Å; Y1023-M1026 PolarHBondContact O-N 2.63Å; L1024-M1026 VanDerWaalsContact C-N 3.3Å; L1024-M1026 PolarHBondContact O-N 2.8Å; M1026-R1029 PolarHBondContact O-N 2.89Å; M1026-T1030 WeakPolarHBondContact O-CB 3.37Å; M1026-T1030 WeakPolarHBondContact O-CG2 3.48Å; M1026-T1030 PolarHBondContact O-N 2.9Å; M1026-T1030 VanDerWaalsContact O-N 3.1Å; M1026-T1030 PolarHBondContact O-OG1 3.41Å; M1026-K1078 HydrophobicContact CE-CD 4.48Å; M1026-K1078 HydrophobicContact SD-CD 4.46Å
1027F91.5Very high90.7Very high7 Ų728.9 Ų28.93%0.03114%0.143CC..Hα-helixtrans-69.8-35.6176.1-67.3-51.8000112.5Y1023 L1024 R1029 T1030 Q1031 K1078 L1081 H1082 L1085Y1023-F1027 WeakPolarHBondContact O-CD2 3.3Å; Y1023-F1027 PolarHBondContact O-N 3.43Å; L1024-F1027 PolarHBondContact O-N 3.31Å; F1027-R1029 VanDerWaalsContact C-N 3.28Å; F1027-R1029 PolarHBondContact O-N 3.11Å; F1027-T1030 PolarHBondContact O-N 2.95Å; F1027-Q1031 CarbonylContact O-C 3.55Å; F1027-Q1031 WeakPolarHBondContact O-CA 3.26Å; F1027-Q1031 PolarHBondContact O-N 3.35Å; F1027-K1078 HydrophobicContact CE2-CG 4.12Å; F1027-K1078 HydrophobicContact CZ-CD 4.32Å; F1027-K1078 HydrophobicContact CZ-CG 3.65Å; F1027-L1081 HydrophobicContact CD2-CD2 4.18Å; F1027-L1081 HydrophobicContact CD2-CG 4.41Å; F1027-L1081 HydrophobicContact CE2-CB 4.32Å; F1027-L1081 HydrophobicContact CE2-CD2 3.84Å; F1027-L1081 HydrophobicContact CE2-CG 3.9Å; F1027-H1082 HydrophobicContact CE1-CB 4Å; F1027-H1082 AromaticContact CE1-CD2 3.81Å; F1027-H1082 HydrophobicContact CE2-CB 4.42Å; F1027-H1082 HydrophobicContact CZ-CB 3.61Å; F1027-L1085 HydrophobicContact CD2-CD1 3.74Å; F1027-L1085 HydrophobicContact CE2-CD1 4.3Å; F1027-L1085 HydrophobicContact CG-CD1 4.26Å
1028A87.6Confident90.5Very high4 Ų428.9 Ų28.93%0.03314%0.143CC..Hα-helixtrans-54.4-45173.900000112.1I970 L973 L1024 S1025 M1035I970-A1028 HydrophobicContact CG1-CB 4.48Å; L973-A1028 HydrophobicContact CD1-CB 3.59Å; L1024-A1028 VanDerWaalsContact O-CB 3.26Å; L1024-A1028 WeakPolarHBondContact O-CB 3.31Å; L1024-A1028 PolarHBondContact O-N 3.24Å; S1025-A1028 WeakPolarHBondContact O-CB 3.11Å; S1025-A1028 PolarHBondContact O-N 3.34Å; A1028-M1035 VanDerWaalsContact CA-CE 3.41Å; A1028-M1035 HydrophobicContact CB-CE 3.48Å; A1028-M1035 VanDerWaalsContact CB-CE 3.48Å; A1028-M1035 HydrophobicContact CB-SD 4.44Å
1029R81.8Confident90.3Very high88 Ų8829.5 Ų29.533%0.33215%0.146SC..Hα-helixtrans-79.8-33.3-178.8-68-177.7-69.1148.7-5.9113.8D969 S1025 M1026 F1027D969-R1029 IonicContact OD2-NE 3.68Å; S1025-R1029 PolarHBondContact O-N 2.77Å; S1025-R1029 PolarHBondContact O-NE 3.27Å; M1026-R1029 PolarHBondContact O-N 2.89Å; F1027-R1029 VanDerWaalsContact C-N 3.28Å; F1027-R1029 PolarHBondContact O-N 3.11Å
1030T82.8Confident90.3Very high57 Ų5730.1 Ų30.135%0.3515%0.149SC..Hα-helixtrans-99.1-31.6-172.255.80000114.4T569 M1026 F1027T569-T1030 HydrophobicContact CG2-CG2 3.44Å; T569-T1030 VanDerWaalsContact CG2-CG2 3.44Å; M1026-T1030 WeakPolarHBondContact O-CB 3.37Å; M1026-T1030 WeakPolarHBondContact O-CG2 3.48Å; M1026-T1030 PolarHBondContact O-N 2.9Å; M1026-T1030 VanDerWaalsContact O-N 3.1Å; M1026-T1030 PolarHBondContact O-OG1 3.41Å; F1027-T1030 PolarHBondContact O-N 2.95Å
1031Q85.7Confident90.1Very high57 Ų5730.2 Ų30.227%0.26615%0.149SC..  trans-14457.5-172.5-62.7-178.5-21.100111F1027 Q1033 K1034F1027-Q1031 CarbonylContact O-C 3.55Å; F1027-Q1031 WeakPolarHBondContact O-CA 3.26Å; F1027-Q1031 PolarHBondContact O-N 3.35Å; Q1031-Q1033 PolarHBondContact O-N 2.89Å; Q1031-Q1033 VanDerWaalsContact O-N 3.09Å; Q1031-K1034 HydrophobicContact CB-CD 4.09Å; Q1031-K1034 HydrophobicContact CB-CG 4.23Å; Q1031-K1034 WeakPolarHBondContact O-CB 3.38Å; Q1031-K1034 PolarHBondContact O-N 3.47Å
1032P84.3Confident90Very high66 Ų6630.7 Ų30.743%0.42915%0.151SC..G310 helixtrans-56.7-28.5-175.723.3-34.2000113.4K1034 M1035P1032-K1034 PolarHBondContact O-N 2.95Å; P1032-K1034 VanDerWaalsContact O-N 3.07Å; P1032-M1035 PolarHBondContact O-N 3.37Å
1033Q86.3Confident90.1Very high115 Ų11530.2 Ų30.254%0.53715%0.148SC..G310 helixtrans-56.5-24.9176.870.6-80.312.600113.5Q1031 M1035 E1036Q1031-Q1033 PolarHBondContact O-N 2.89Å; Q1031-Q1033 VanDerWaalsContact O-N 3.09Å; Q1033-M1035 PolarHBondContact O-N 3.11Å; Q1033-E1036 WeakPolarHBondContact O-CB 3.38Å; Q1033-E1036 PolarHBondContact O-N 2.81Å
1034K85.8Confident90Very high29 Ų2930.2 Ų30.213%0.12615%0.148CC..G310 helixtrans-71-23.9178.2-66.9-171.2172.7-173.60113.2Q1031 P1032 H1082 L1085 S1086 R1185Q1031-K1034 HydrophobicContact CB-CD 4.09Å; Q1031-K1034 HydrophobicContact CB-CG 4.23Å; Q1031-K1034 WeakPolarHBondContact O-CB 3.38Å; Q1031-K1034 PolarHBondContact O-N 3.47Å; P1032-K1034 PolarHBondContact O-N 2.95Å; P1032-K1034 VanDerWaalsContact O-N 3.07Å; K1034-H1082 PolarHBondContact NZ-CD2 3.02Å; K1034-H1082 PolarHBondContact NZ-CE1 3.34Å; K1034-H1082 VanDerWaalsContact NZ-CE1 3.33Å; K1034-H1082 PolarHBondContact NZ-NE2 3.22Å; K1034-L1085 HydrophobicContact CB-CB 4.49Å; K1034-S1086 WeakPolarHBondContact CE-OG 3.45Å; K1034-S1086 PolarHBondContact NZ-OG 2.87Å; K1034-R1185 PolarHBondContact O-NH1 3.1Å; K1034-R1185 VanDerWaalsContact O-NH1 3.14Å; K1034-R1185 PolarHBondContact O-NH2 3.16Å
1035M86.9Confident89.9Confident1 Ų130.5 Ų30.51%0.00515%0.15CC..G310 helixtrans-102.416.3178.3-49.8-172.3-54.300112.1L973 K975 A1028 P1032 Q1033 I1038 L1041L973-M1035 HydrophobicContact CD1-CE 3.82Å; K975-M1035 HydrophobicContact CD-CB 4.2Å; K975-M1035 HydrophobicContact CD-CE 4.27Å; K975-M1035 WeakPolarHBondContact CE-O 3.23Å; K975-M1035 PolarHBondContact NZ-O 3.33Å; A1028-M1035 VanDerWaalsContact CA-CE 3.41Å; A1028-M1035 HydrophobicContact CB-CE 3.48Å; A1028-M1035 VanDerWaalsContact CB-CE 3.48Å; A1028-M1035 HydrophobicContact CB-SD 4.44Å; P1032-M1035 PolarHBondContact O-N 3.37Å; Q1033-M1035 PolarHBondContact O-N 3.11Å; M1035-I1038 PolarHBondContact O-N 2.88Å; M1035-L1041 HydrophobicContact SD-CD1 4Å; M1035-L1041 HydrophobicContact SD-CD2 4.5Å
1036E85.7Confident90.1Very high111 Ų11130.6 Ų30.652%0.51915%0.15SC..THydrogen-bonded Turntrans-64.2141.4172.7-157.3-163.9141.400110.5Q1033 I1038 R1185Q1033-E1036 WeakPolarHBondContact O-CB 3.38Å; Q1033-E1036 PolarHBondContact O-N 2.81Å; E1036-I1038 PolarHBondContact O-N 2.93Å; E1036-I1038 VanDerWaalsContact O-N 3.15Å; E1036-R1185 PolarHBondContact O-NH1 2.78Å
1037N91.1Very high90.3Very high47 Ų4730.3 Ų30.325%0.25115%0.149SC..THydrogen-bonded Turntrans58.520.8-177.7-50.2-68000114.9A1186N1037-A1186 WeakPolarHBondContact CB-O 3.44Å; N1037-A1186 PolarHBondContact O-N 3.48Å
1038I93.6Very high90.4Very high0 Ų030.7 Ų30.70%015%0.151CC..BIsolated β-bridgetrans-110.2117.5166.5-61.1175.6000107.4K975 M1035 E1036 L1041 L1183 R1185K975-I1038 WeakPolarHBondContact CD-O 3.49Å; K975-I1038 WeakPolarHBondContact CE-O 3.37Å; K975-I1038 PolarHBondContact NZ-O 3.4Å; M1035-I1038 PolarHBondContact O-N 2.88Å; E1036-I1038 PolarHBondContact O-N 2.93Å; E1036-I1038 VanDerWaalsContact O-N 3.15Å; I1038-L1041 HydrophobicContact CG2-CD2 3.9Å; I1038-L1041 HydrophobicContact CG2-CG 4.26Å; I1038-L1183 HydrophobicContact CD1-CB 4.14Å; I1038-L1183 VanDerWaalsContact CG2-O 3.26Å; I1038-L1183 WeakPolarHBondContact CG2-O 3.39Å; I1038-R1185 HydrophobicContact CG1-CB 4.06Å; I1038-R1185 HydrophobicContact CG1-CG 4.2Å
1039L93.1Very high90.7Very high21 Ų2130.8 Ų30.811%0.1115%0.151CC..SBendtrans-93.4-26.2175.1-65.3-167000113K975 Q976 Y1191 A1227 L1228 E1231K975-L1039 WeakPolarHBondContact CA-O 3.2Å; Q976-L1039 PolarHBondContact N-O 2.66Å; L1039-Y1191 HydrophobicContact CD1-CD2 4.28Å; L1039-Y1191 HydrophobicContact CD1-CE1 4.05Å; L1039-Y1191 HydrophobicContact CD1-CE2 3.51Å; L1039-Y1191 WeakPolarHBondContact CD1-OH 3.21Å; L1039-Y1191 HydrophobicContact CG-CE2 3.88Å; L1039-Y1191 WeakPolarHBondContact CG-OH 3.07Å; L1039-A1227 HydrophobicContact CD1-CB 3.89Å; L1039-L1228 HydrophobicContact CD1-CD2 4.47Å; L1039-E1231 HydrophobicContact CB-CG 4.19Å; L1039-E1231 HydrophobicContact CD1-CB 4.47Å
1040R94.7Very high91.3Very high14 Ų1426.6 Ų26.65%0.05314%0.135CC..EExtended strand (participates in β ladder)trans-136.8117.4-176.6-177177.6-74.5-163.6-1.2111.7Q976 T978 R1042 N1184 E1231Q976-R1040 HydrophobicContact CB-CB 4.17Å; Q976-R1040 HydrophobicContact CB-CG 4Å; Q976-R1040 CarbonylContact O-C 3.52Å; Q976-R1040 VanDerWaalsContact O-CA 3.31Å; Q976-R1040 WeakPolarHBondContact O-CA 3.29Å; T978-R1040 HydrophobicContact CG2-CG 3.85Å; R1040-R1042 HydrophobicContact CG-CG 4.31Å; R1040-N1184 PolarHBondContact O-ND2 3.06Å; R1040-N1184 VanDerWaalsContact O-ND2 3.08Å; R1040-E1231 HydrophobicContact CB-CG 4.45Å
1041L95.2Very high91.9Very high1 Ų123.9 Ų23.91%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-89.1109.6178.2-69.1164.9000110.4I970 K975 Q976 V977 T978 L1024 M1035 I1038 I1043 I1046I970-L1041 HydrophobicContact CG2-CD1 3.62Å; K975-L1041 HydrophobicContact CD-CD1 4.33Å; Q976-L1041 PolarHBondContact O-N 2.9Å; V977-L1041 CarbonylContact C-O 3.56Å; V977-L1041 WeakPolarHBondContact CA-O 3.43Å; T978-L1041 PolarHBondContact N-O 2.53Å; L1024-L1041 HydrophobicContact CD1-CD1 4.44Å; L1024-L1041 HydrophobicContact CD2-CD2 4.36Å; M1035-L1041 HydrophobicContact SD-CD1 4Å; M1035-L1041 HydrophobicContact SD-CD2 4.5Å; I1038-L1041 HydrophobicContact CG2-CD2 3.9Å; I1038-L1041 HydrophobicContact CG2-CG 4.26Å; L1041-I1043 PolarHBondContact O-N 3.1Å; L1041-I1046 HydrophobicContact CD2-CD1 4.45Å
1042R94.5Very high92.1Very high10 Ų1021.1 Ų21.14%0.03811%0.105CC..EExtended strand (participates in β ladder)trans-96.593-175.9-59.4176.868.6113.7-12.6111.4T978 E987 R1040 G1044 L1045 I1046 N1184T978-R1042 HydrophobicContact CG2-CG 4.44Å; T978-R1042 VanDerWaalsContact OG1-CA 3.26Å; T978-R1042 WeakPolarHBondContact OG1-CA 3.35Å; T978-R1042 WeakPolarHBondContact OG1-CB 3.01Å; T978-R1042 WeakPolarHBondContact OG1-CG 3.48Å; E987-R1042 VanDerWaalsContact CD-CZ 3.48Å; E987-R1042 IonicContact OE1-CZ 2.77Å; E987-R1042 IonicContact OE1-NE 3.68Å; E987-R1042 PolarHBondContact OE1-NE 3.38Å; E987-R1042 IonicContact OE1-NH1 3.29Å; E987-R1042 IonicContact OE1-NH2 3.82Å; E987-R1042 PolarHBondContact OE1-NH2 3.11Å; E987-R1042 VanDerWaalsContact OE1-NH2 3.11Å; E987-R1042 IonicContact OE2-CZ 3.74Å; E987-R1042 VanDerWaalsContact OE2-CZ 3.24Å; E987-R1042 IonicContact OE2-NE 3.56Å; E987-R1042 IonicContact OE2-NH1 2.9Å; E987-R1042 IonicContact OE2-NH2 2.85Å; E987-R1042 PolarHBondContact OE2-NH2 3.27Å; R1040-R1042 HydrophobicContact CG-CG 4.31Å; R1042-G1044 VanDerWaalsContact C-N 3.34Å; R1042-G1044 PolarHBondContact O-N 2.91Å; R1042-L1045 HydrophobicContact CB-CB 4.14Å; R1042-L1045 HydrophobicContact CB-CD1 4.34Å; R1042-L1045 HydrophobicContact CB-CG 4.46Å; R1042-L1045 PolarHBondContact O-N 2.88Å; R1042-L1045 VanDerWaalsContact O-N 3.16Å; R1042-I1046 WeakPolarHBondContact O-CG1 3.36Å; R1042-I1046 PolarHBondContact O-N 2.89Å; R1042-N1184 WeakPolarHBondContact CD-ND2 3.44Å
1043I96.3Very high92.3Very high0 Ų018.3 Ų18.30%09%0.086CC..Hα-helixtrans-60.3-41.9-168.2-52.9-58.3000112V977 T978 V979 T1017 I1020 L1024 L1041 L1045 I1046 I1047V977-I1043 HydrophobicContact CG1-CD1 4.17Å; V977-I1043 HydrophobicContact CG1-CG1 3.8Å; T978-I1043 VanDerWaalsContact O-CB 3.31Å; T978-I1043 WeakPolarHBondContact O-CB 3.44Å; T978-I1043 WeakPolarHBondContact O-CG1 3.5Å; T978-I1043 PolarHBondContact O-N 3.08Å; V979-I1043 HydrophobicContact CG1-CG1 4.34Å; T1017-I1043 HydrophobicContact CG2-CB 4.47Å; T1017-I1043 HydrophobicContact CG2-CG2 3.86Å; I1020-I1043 HydrophobicContact CB-CG2 4.06Å; I1020-I1043 HydrophobicContact CG2-CD1 4.24Å; I1020-I1043 HydrophobicContact CG2-CG2 3.93Å; L1024-I1043 HydrophobicContact CD1-CD1 3.19Å; L1041-I1043 PolarHBondContact O-N 3.1Å; I1043-L1045 PolarHBondContact O-N 3.28Å; I1043-I1046 PolarHBondContact O-N 3.34Å; I1043-I1047 HydrophobicContact CG2-CD1 3.96Å; I1043-I1047 HydrophobicContact CG2-CG1 4.47Å; I1043-I1047 WeakPolarHBondContact O-CG1 3.47Å; I1043-I1047 PolarHBondContact O-N 2.96Å
1044G94.7Very high92.6Very high0 Ų013 Ų130%06%0.062CC..Hα-helixtrans-61.4-43177.600000113.3G980 L981 R1042 I1047 Q1048G980-G1044 WeakPolarHBondContact O-CA 3.48Å; L981-G1044 WeakPolarHBondContact CD2-O 3.5Å; R1042-G1044 VanDerWaalsContact C-N 3.34Å; R1042-G1044 PolarHBondContact O-N 2.91Å; G1044-I1047 PolarHBondContact O-N 3.31Å; G1044-Q1048 WeakPolarHBondContact O-CB 3.36Å; G1044-Q1048 PolarHBondContact O-N 3.39Å
1045L93Very high92.8Very high6 Ų611.8 Ų11.83%0.0316%0.057CC..Hα-helixtrans-69.1-35.5176-76.3-174.7000112.4P982 R1042 I1043 Q1048 M1049 A1182P982-L1045 HydrophobicContact CG-CD1 4.38Å; P982-L1045 HydrophobicContact CG-CD2 3.58Å; P982-L1045 HydrophobicContact CG-CG 3.92Å; R1042-L1045 HydrophobicContact CB-CB 4.14Å; R1042-L1045 HydrophobicContact CB-CD1 4.34Å; R1042-L1045 HydrophobicContact CB-CG 4.46Å; R1042-L1045 PolarHBondContact O-N 2.88Å; R1042-L1045 VanDerWaalsContact O-N 3.16Å; I1043-L1045 PolarHBondContact O-N 3.28Å; L1045-Q1048 PolarHBondContact O-N 3.27Å; L1045-M1049 VanDerWaalsContact O-CB 3.28Å; L1045-M1049 WeakPolarHBondContact O-CB 3.45Å; L1045-M1049 PolarHBondContact O-N 2.67Å; L1045-A1182 HydrophobicContact CB-CB 4.45Å
1046I95.6Very high92.8Very high2 Ų213.3 Ų13.31%0.016%0.063CC..Hα-helixtrans-61.5-47.8174.3-69.8168000110I1020 L1024 L1041 R1042 I1043 M1049 M1050 L1081 L1183I1020-I1046 HydrophobicContact CG2-CG2 4.15Å; L1024-I1046 HydrophobicContact CD1-CD1 4.18Å; L1041-I1046 HydrophobicContact CD2-CD1 4.45Å; R1042-I1046 WeakPolarHBondContact O-CG1 3.36Å; R1042-I1046 PolarHBondContact O-N 2.89Å; I1043-I1046 PolarHBondContact O-N 3.34Å; I1046-M1049 PolarHBondContact O-N 3.39Å; I1046-M1050 HydrophobicContact CG2-CG 4.47Å; I1046-M1050 HydrophobicContact CG2-SD 4.04Å; I1046-M1050 VanDerWaalsContact O-CG 3.26Å; I1046-M1050 WeakPolarHBondContact O-CG 3.27Å; I1046-M1050 PolarHBondContact O-N 2.77Å; I1046-L1081 HydrophobicContact CG2-CD1 3.48Å; I1046-L1081 VanDerWaalsContact CG2-CD1 3.48Å; I1046-L1183 HydrophobicContact CD1-CD2 4.26Å; I1046-L1183 HydrophobicContact CG1-CD2 3.95Å
1047I96.1Very high92.7Very high0 Ų010.1 Ų10.10%06%0.06CC..Hα-helixtrans-62.8-46.8178.2-68.5168.4000111.3L717 M1013 L1016 I1020 I1043 G1044 M1049 M1050 A1051 L1069L717-I1047 HydrophobicContact CD1-CG2 4.25Å; L717-I1047 HydrophobicContact CD2-CG2 4Å; M1013-I1047 HydrophobicContact CE-CB 4.47Å; M1013-I1047 HydrophobicContact CE-CD1 4.1Å; M1013-I1047 HydrophobicContact CE-CG2 4.25Å; M1013-I1047 HydrophobicContact SD-CD1 4.32Å; M1013-I1047 HydrophobicContact SD-CG2 3.72Å; L1016-I1047 HydrophobicContact CB-CD1 4.35Å; L1016-I1047 HydrophobicContact CD2-CD1 4.33Å; L1016-I1047 HydrophobicContact CD2-CG1 4.27Å; L1016-I1047 HydrophobicContact CD2-CG2 3.67Å; L1016-I1047 HydrophobicContact CG-CD1 4.05Å; L1016-I1047 HydrophobicContact CG-CG1 4.28Å; I1020-I1047 HydrophobicContact CG1-CD1 4.11Å; I1020-I1047 HydrophobicContact CG1-CG1 3.75Å; I1043-I1047 HydrophobicContact CG2-CD1 3.96Å; I1043-I1047 HydrophobicContact CG2-CG1 4.47Å; I1043-I1047 WeakPolarHBondContact O-CG1 3.47Å; I1043-I1047 PolarHBondContact O-N 2.96Å; G1044-I1047 PolarHBondContact O-N 3.31Å; I1047-M1049 VanDerWaalsContact C-N 3.26Å; I1047-M1049 PolarHBondContact O-N 3.34Å; I1047-M1050 WeakPolarHBondContact O-CB 3.26Å; I1047-M1050 PolarHBondContact O-N 3.07Å; I1047-A1051 PolarHBondContact O-N 3Å; I1047-L1069 HydrophobicContact CG2-CD2 4.26Å
1048Q94.7Very high92.6Very high16 Ų1610.7 Ų10.78%0.0756%0.062CC..Hα-helixtrans-54.8-45174.9176.5-179.3-23.500111L717 A720 V721 D724 L981 G1044 L1045 A1051 A1052L717-Q1048 HydrophobicContact CD1-CB 3.98Å; A720-Q1048 HydrophobicContact CB-CG 4.19Å; A720-Q1048 PolarHBondContact O-NE2 3.42Å; V721-Q1048 HydrophobicContact CG2-CG 4.11Å; D724-Q1048 PolarHBondContact OD1-NE2 2.96Å; D724-Q1048 VanDerWaalsContact OD1-NE2 3.13Å; D724-Q1048 VanDerWaalsContact OD2-CG 3.29Å; D724-Q1048 WeakPolarHBondContact OD2-CG 3.37Å; D724-Q1048 PolarHBondContact OD2-NE2 3.23Å; L981-Q1048 HydrophobicContact CD2-CB 4.29Å; G1044-Q1048 WeakPolarHBondContact O-CB 3.36Å; G1044-Q1048 PolarHBondContact O-N 3.39Å; L1045-Q1048 PolarHBondContact O-N 3.27Å; Q1048-A1051 PolarHBondContact O-N 3.35Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.3Å; Q1048-A1052 PolarHBondContact O-N 3.48Å
1049M92.7Very high92.2Very high5 Ų513.8 Ų13.83%0.02510%0.095CC..Hα-helixtrans-70.2-37.5179.5-165.158.3171.700112.2L1045 I1046 I1047 A1051 A1052 E1053 L1084 K1178 I1179L1045-M1049 VanDerWaalsContact O-CB 3.28Å; L1045-M1049 WeakPolarHBondContact O-CB 3.45Å; L1045-M1049 PolarHBondContact O-N 2.67Å; I1046-M1049 PolarHBondContact O-N 3.39Å; I1047-M1049 VanDerWaalsContact C-N 3.26Å; I1047-M1049 PolarHBondContact O-N 3.34Å; M1049-A1051 VanDerWaalsContact C-N 3.35Å; M1049-A1051 PolarHBondContact O-N 2.97Å; M1049-A1052 PolarHBondContact O-N 2.72Å; M1049-A1052 HydrophobicContact SD-CB 4.44Å; M1049-E1053 HydrophobicContact CE-CG 4.37Å; M1049-E1053 VanDerWaalsContact CE-OE1 3.24Å; M1049-E1053 WeakPolarHBondContact CE-OE1 3.5Å; M1049-E1053 HydrophobicContact CG-CG 4.31Å; M1049-E1053 VanDerWaalsContact O-CB 3.3Å; M1049-E1053 WeakPolarHBondContact O-CB 3.45Å; M1049-E1053 WeakPolarHBondContact O-CG 3.45Å; M1049-E1053 PolarHBondContact O-N 2.69Å; M1049-L1084 HydrophobicContact CB-CD1 3.86Å; M1049-L1084 HydrophobicContact CG-CD1 3.73Å; M1049-K1178 HydrophobicContact CE-CB 3.79Å; M1049-I1179 HydrophobicContact CE-CB 4.16Å; M1049-I1179 HydrophobicContact CE-CD1 4.22Å; M1049-I1179 HydrophobicContact CE-CG1 3.17Å; M1049-I1179 HydrophobicContact CG-CG1 4.44Å
1050M94.6Very high92.1Very high0 Ų014 Ų140%010%0.096CC..Hα-helixtrans-58.1-45.6172.6-72.4172.969.700111.8I1020 I1046 I1047 E1053 L1054 L1069 T1077 L1080 L1081 L1084I1020-M1050 HydrophobicContact CD1-CE 3.83Å; I1020-M1050 HydrophobicContact CD1-SD 3.67Å; I1020-M1050 HydrophobicContact CG1-SD 4.47Å; I1046-M1050 HydrophobicContact CG2-CG 4.47Å; I1046-M1050 HydrophobicContact CG2-SD 4.04Å; I1046-M1050 VanDerWaalsContact O-CG 3.26Å; I1046-M1050 WeakPolarHBondContact O-CG 3.27Å; I1046-M1050 PolarHBondContact O-N 2.77Å; I1047-M1050 WeakPolarHBondContact O-CB 3.26Å; I1047-M1050 PolarHBondContact O-N 3.07Å; M1050-E1053 PolarHBondContact O-N 3.41Å; M1050-L1054 WeakPolarHBondContact O-CG 3.37Å; M1050-L1054 PolarHBondContact O-N 2.9Å; M1050-L1069 HydrophobicContact CB-CD1 4.42Å; M1050-L1069 HydrophobicContact CE-CD1 4.18Å; M1050-T1077 HydrophobicContact CE-CG2 3.76Å; M1050-T1077 WeakPolarHBondContact CE-O 3.5Å; M1050-L1080 HydrophobicContact CB-CD2 3.87Å; M1050-L1080 HydrophobicContact CB-CG 4.24Å; M1050-L1080 HydrophobicContact CE-CB 4.04Å; M1050-L1080 HydrophobicContact CE-CD2 3.74Å; M1050-L1080 HydrophobicContact CE-CG 3.82Å; M1050-L1080 HydrophobicContact CG-CD2 4.3Å; M1050-L1080 HydrophobicContact CG-CG 4.18Å; M1050-L1081 HydrophobicContact CE-CB 4.07Å; M1050-L1081 HydrophobicContact SD-CB 4.15Å; M1050-L1081 HydrophobicContact SD-CD1 4.18Å; M1050-L1084 HydrophobicContact CG-CD1 3.9Å
1051A94.6Very high91.9Very high0 Ų017.2 Ų17.20%012%0.117CC..Hα-helixtrans-63.3-46.9175.800000112.2V721 I1047 Q1048 M1049 E1053 L1054 A1055 L1066 L1069V721-A1051 HydrophobicContact CG1-CB 4.32Å; V721-A1051 HydrophobicContact CG2-CB 3.61Å; I1047-A1051 PolarHBondContact O-N 3Å; Q1048-A1051 PolarHBondContact O-N 3.35Å; M1049-A1051 VanDerWaalsContact C-N 3.35Å; M1049-A1051 PolarHBondContact O-N 2.97Å; A1051-E1053 VanDerWaalsContact C-N 3.29Å; A1051-E1053 PolarHBondContact O-N 3.38Å; A1051-L1054 PolarHBondContact O-N 3.13Å; A1051-A1055 PolarHBondContact O-N 3.3Å; A1051-L1066 HydrophobicContact CB-CD2 3.58Å; A1051-L1069 HydrophobicContact CB-CD2 3.87Å
1052A91.4Very high91.6Very high0 Ų018.5 Ų18.50%013%0.125CC..Hα-helixtrans-62.3-37.717800000111.9V721 D724 L725 Q1048 M1049 A1055 R1056V721-A1052 HydrophobicContact CG1-CB 4.21Å; D724-A1052 HydrophobicContact CB-CB 4.34Å; L725-A1052 HydrophobicContact CD2-CB 4.36Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.3Å; Q1048-A1052 PolarHBondContact O-N 3.48Å; M1049-A1052 PolarHBondContact O-N 2.72Å; M1049-A1052 HydrophobicContact SD-CB 4.44Å; A1052-A1055 PolarHBondContact O-N 3.24Å; A1052-R1056 WeakPolarHBondContact O-CG 3.35Å; A1052-R1056 PolarHBondContact O-N 3.17Å
1053E88.9Confident91.4Very high6 Ų621 Ų213%0.02814%0.137CC..Hα-helixtrans-66.4-42175.2-73.5-58.4141.900111.8M1049 M1050 A1051 R1056 G1057 M1090 R1175M1049-E1053 HydrophobicContact CE-CG 4.37Å; M1049-E1053 VanDerWaalsContact CE-OE1 3.24Å; M1049-E1053 WeakPolarHBondContact CE-OE1 3.5Å; M1049-E1053 HydrophobicContact CG-CG 4.31Å; M1049-E1053 VanDerWaalsContact O-CB 3.3Å; M1049-E1053 WeakPolarHBondContact O-CB 3.45Å; M1049-E1053 WeakPolarHBondContact O-CG 3.45Å; M1049-E1053 PolarHBondContact O-N 2.69Å; M1050-E1053 PolarHBondContact O-N 3.41Å; A1051-E1053 VanDerWaalsContact C-N 3.29Å; A1051-E1053 PolarHBondContact O-N 3.38Å; E1053-R1056 PolarHBondContact O-N 3.38Å; E1053-R1056 IonicContact OE1-CZ 3.82Å; E1053-R1056 IonicContact OE1-NH1 2.75Å; E1053-R1056 PolarHBondContact OE1-NH1 2.94Å; E1053-G1057 PolarHBondContact O-N 3.4Å; E1053-M1090 VanDerWaalsContact C-CE 3.42Å; E1053-M1090 HydrophobicContact CB-CE 3.93Å; E1053-M1090 WeakPolarHBondContact O-CE 3.28Å; E1053-R1175 IonicContact OE1-NE 3.81Å; E1053-R1175 PolarHBondContact OE1-NE 3.41Å; E1053-R1175 IonicContact OE2-CZ 3.72Å; E1053-R1175 IonicContact OE2-NE 2.67Å; E1053-R1175 PolarHBondContact OE2-NE 3.03Å; E1053-R1175 IonicContact OE2-NH2 3.64Å; E1053-R1175 PolarHBondContact OE2-NH2 2.81Å
1054L90.9Very high91.1Very high4 Ų422 Ų222%0.02114%0.142CC..Hα-helixtrans-61.4-45173-75.8171.6000112.2M1050 A1051 R1056 G1057 L1058 L1069 M1072 L1080M1050-L1054 WeakPolarHBondContact O-CG 3.37Å; M1050-L1054 PolarHBondContact O-N 2.9Å; A1051-L1054 PolarHBondContact O-N 3.13Å; L1054-R1056 VanDerWaalsContact C-N 3.31Å; L1054-R1056 PolarHBondContact O-N 3.03Å; L1054-G1057 PolarHBondContact O-N 3.07Å; L1054-L1058 HydrophobicContact CD2-CD1 4.47Å; L1054-L1058 WeakPolarHBondContact O-CB 3.34Å; L1054-L1058 PolarHBondContact O-N 2.94Å; L1054-L1069 HydrophobicContact CD1-CB 3.76Å; L1054-L1069 HydrophobicContact CD1-CD1 3.86Å; L1054-L1069 HydrophobicContact CD1-CG 4.36Å; L1054-M1072 HydrophobicContact CD1-SD 3.67Å; L1054-M1072 HydrophobicContact CD2-SD 4.1Å; L1054-L1080 HydrophobicContact CD1-CD2 3.57Å; L1054-L1080 HydrophobicContact CD2-CD1 4.36Å; L1054-L1080 HydrophobicContact CD2-CD2 3.97Å; L1054-L1080 HydrophobicContact CG-CD1 4.38Å; L1054-L1080 HydrophobicContact CG-CD2 3.6Å
1055A91.1Very high91Very high4 Ų422 Ų223%0.03314%0.142CC..Hα-helixtrans-58-44.6177.800000111.5L725 A1051 A1052 G1059 L1060L725-A1055 HydrophobicContact CD1-CB 3.5Å; L725-A1055 HydrophobicContact CD2-CB 4.19Å; L725-A1055 HydrophobicContact CG-CB 4.44Å; A1051-A1055 PolarHBondContact O-N 3.3Å; A1052-A1055 PolarHBondContact O-N 3.24Å; A1055-G1059 CarbonylContact O-C 3.5Å; A1055-G1059 VanDerWaalsContact O-CA 3.27Å; A1055-G1059 WeakPolarHBondContact O-CA 3.4Å; A1055-G1059 PolarHBondContact O-N 2.96Å; A1055-L1060 PolarHBondContact O-N 3.14Å
1056R86.6Confident91Very high32 Ų3221.8 Ų21.812%0.12114%0.141CC..Hα-helixtrans-70.2-47.5178.1-67.5-178.2-143131.77.3112.2L725 A1052 E1053 L1054 L1058 G1059L725-R1056 HydrophobicContact CD2-CG 3.56Å; A1052-R1056 WeakPolarHBondContact O-CG 3.35Å; A1052-R1056 PolarHBondContact O-N 3.17Å; E1053-R1056 PolarHBondContact O-N 3.38Å; E1053-R1056 IonicContact OE1-CZ 3.82Å; E1053-R1056 IonicContact OE1-NH1 2.75Å; E1053-R1056 PolarHBondContact OE1-NH1 2.94Å; L1054-R1056 VanDerWaalsContact C-N 3.31Å; L1054-R1056 PolarHBondContact O-N 3.03Å; R1056-L1058 VanDerWaalsContact C-N 3.32Å; R1056-L1058 PolarHBondContact O-N 3.22Å; R1056-G1059 PolarHBondContact O-N 3.35Å
1057G84Confident90.9Very high44 Ų4423.2 Ų23.245%0.45415%0.147SC..Hα-helixtrans-67.6-29.3-174.200000114E1053 L1054E1053-G1057 PolarHBondContact O-N 3.4Å; L1054-G1057 PolarHBondContact O-N 3.07Å
1058L88.4Confident90.8Very high59 Ų5924.4 Ų24.431%0.30916%0.157SC..Hα-helixtrans-110.20.3179.8-61.6178.9000113.5L1054 R1056 L1060L1054-L1058 HydrophobicContact CD2-CD1 4.47Å; L1054-L1058 WeakPolarHBondContact O-CB 3.34Å; L1054-L1058 PolarHBondContact O-N 2.94Å; R1056-L1058 VanDerWaalsContact C-N 3.32Å; R1056-L1058 PolarHBondContact O-N 3.22Å; L1058-L1060 VanDerWaalsContact C-N 3.3Å; L1058-L1060 HydrophobicContact CB-CD1 3.87Å; L1058-L1060 HydrophobicContact CB-CD2 4.43Å; L1058-L1060 HydrophobicContact CB-CG 3.71Å; L1058-L1060 HydrophobicContact CD1-CD1 3.98Å; L1058-L1060 PolarHBondContact O-N 3.4Å
1059G86.3Confident90.8Very high66 Ų6623.7 Ų23.768%0.6815%0.153SC*.THydrogen-bonded Turntrans62.434.2-177.600000113.7A1055 R1056A1055-G1059 CarbonylContact O-C 3.5Å; A1055-G1059 VanDerWaalsContact O-CA 3.27Å; A1055-G1059 WeakPolarHBondContact O-CA 3.4Å; A1055-G1059 PolarHBondContact O-N 2.96Å; R1056-G1059 PolarHBondContact O-N 3.35Å
1060L89.5Confident90.9Very high26 Ų2623.6 Ų23.614%0.13615%0.153CC..  trans-87.4155.5-175.9-60.8175.1000112.1A1055 L1058 D1064 A1068 Y1101A1055-L1060 PolarHBondContact O-N 3.14Å; L1058-L1060 VanDerWaalsContact C-N 3.3Å; L1058-L1060 HydrophobicContact CB-CD1 3.87Å; L1058-L1060 HydrophobicContact CB-CD2 4.43Å; L1058-L1060 HydrophobicContact CB-CG 3.71Å; L1058-L1060 HydrophobicContact CD1-CD1 3.98Å; L1058-L1060 PolarHBondContact O-N 3.4Å; L1060-D1064 HydrophobicContact CB-CB 4.01Å; L1060-D1064 HydrophobicContact CD2-CB 4.35Å; L1060-A1068 HydrophobicContact CD1-CB 4.21Å; L1060-Y1101 HydrophobicContact CD2-CD1 4.26Å; L1060-Y1101 HydrophobicContact CD2-CE1 3.82Å
1061T90.5Very high90.9Very high80 Ų8025.2 Ų25.249%0.49116%0.164SC..  trans-64.7160.216471.40000109.9E1063 D1064 S1065T1061-E1063 PolarHBondContact O-N 3.39Å; T1061-D1064 PolarHBondContact O-N 3.48Å; T1061-D1064 VanDerWaalsContact OG1-CB 3.28Å; T1061-D1064 WeakPolarHBondContact OG1-CB 3.31Å; T1061-D1064 VanDerWaalsContact OG1-CG 3.32Å; T1061-D1064 PolarHBondContact OG1-N 2.97Å; T1061-D1064 VanDerWaalsContact OG1-N 3.14Å; T1061-D1064 PolarHBondContact OG1-OD2 2.95Å; T1061-S1065 WeakPolarHBondContact O-CB 3.25Å; T1061-S1065 PolarHBondContact O-N 3.23Å; T1061-S1065 PolarHBondContact O-OG 3.19Å
1062V89.7Confident90.9Very high28 Ų2826.4 Ų26.417%0.1717%0.17CC..Hα-helixtrans-55.7-51.5177175.70000110.7A718 V721 L725 D1064 S1065 L1066A718-V1062 HydrophobicContact CB-CG1 4.1Å; A718-V1062 WeakPolarHBondContact O-CG1 3.39Å; V721-V1062 HydrophobicContact CB-CG1 4.05Å; V721-V1062 HydrophobicContact CG1-CG1 4.01Å; V721-V1062 HydrophobicContact CG1-CG2 4.43Å; L725-V1062 HydrophobicContact CD1-CG2 3.74Å; V1062-D1064 VanDerWaalsContact C-N 3.33Å; V1062-D1064 PolarHBondContact O-N 2.97Å; V1062-S1065 PolarHBondContact O-N 3.45Å; V1062-S1065 VanDerWaalsContact O-N 3.11Å; V1062-S1065 PolarHBondContact O-OG 2.98Å; V1062-L1066 WeakPolarHBondContact O-CG 3.29Å; V1062-L1066 PolarHBondContact O-N 2.92Å
1063E89.4Confident91.2Very high63 Ų6329.9 Ų29.929%0.29418%0.183SC..Hα-helixtrans-58.6-43.5179.2-66.3-175172.900112.1R711 R712 T1061 S1065 L1066 Y1067R711-E1063 HydrophobicContact CB-CB 4.15Å; R711-E1063 HydrophobicContact CG-CB 4.22Å; R712-E1063 IonicContact CZ-OE1 3.57Å; R712-E1063 IonicContact NE-OE1 3.95Å; R712-E1063 PolarHBondContact NE-OE1 3.18Å; R712-E1063 IonicContact NE-OE2 3.99Å; R712-E1063 IonicContact NH2-OE1 3.75Å; T1061-E1063 PolarHBondContact O-N 3.39Å; E1063-S1065 VanDerWaalsContact C-N 3.34Å; E1063-S1065 PolarHBondContact O-N 3.27Å; E1063-L1066 PolarHBondContact O-N 3.45Å; E1063-Y1067 WeakPolarHBondContact O-CB 3.32Å; E1063-Y1067 PolarHBondContact O-N 2.85Å
1064D89.8Confident91.5Very high21 Ų2129.6 Ų29.611%0.11218%0.182CC..Hα-helixtrans-65.1-36.3175.9-80.6-56.1000113R707 R711 L1060 T1061 V1062 A1068R707-D1064 IonicContact CZ-OD1 3.9Å; R707-D1064 IonicContact NE-OD1 2.79Å; R707-D1064 PolarHBondContact NE-OD1 2.9Å; R707-D1064 IonicContact NH2-OD1 3.43Å; R707-D1064 PolarHBondContact NH2-OD1 2.83Å; R711-D1064 IonicContact CZ-OD1 3.96Å; R711-D1064 IonicContact CZ-OD2 3.04Å; R711-D1064 IonicContact NE-OD1 2.86Å; R711-D1064 PolarHBondContact NE-OD1 3.47Å; R711-D1064 IonicContact NH2-OD1 2.68Å; R711-D1064 PolarHBondContact NH2-OD1 3.36Å; R711-D1064 IonicContact NH2-OD2 2.81Å; L1060-D1064 HydrophobicContact CB-CB 4.01Å; L1060-D1064 HydrophobicContact CD2-CB 4.35Å; T1061-D1064 PolarHBondContact O-N 3.48Å; T1061-D1064 VanDerWaalsContact OG1-CB 3.28Å; T1061-D1064 WeakPolarHBondContact OG1-CB 3.31Å; T1061-D1064 VanDerWaalsContact OG1-CG 3.32Å; T1061-D1064 PolarHBondContact OG1-N 2.97Å; T1061-D1064 VanDerWaalsContact OG1-N 3.14Å; T1061-D1064 PolarHBondContact OG1-OD2 2.95Å; V1062-D1064 VanDerWaalsContact C-N 3.33Å; V1062-D1064 PolarHBondContact O-N 2.97Å; D1064-A1068 VanDerWaalsContact O-CB 3.25Å; D1064-A1068 WeakPolarHBondContact O-CB 3.44Å; D1064-A1068 PolarHBondContact O-N 3.2Å
1065S92.5Very high91.7Very high0 Ų029.7 Ų29.70%018%0.182CC..Hα-helixtrans-68.7-37.717973.30000112.3T1061 V1062 E1063 A1068 L1069T1061-S1065 WeakPolarHBondContact O-CB 3.25Å; T1061-S1065 PolarHBondContact O-N 3.23Å; T1061-S1065 PolarHBondContact O-OG 3.19Å; V1062-S1065 PolarHBondContact O-N 3.45Å; V1062-S1065 VanDerWaalsContact O-N 3.11Å; V1062-S1065 PolarHBondContact O-OG 2.98Å; E1063-S1065 VanDerWaalsContact C-N 3.34Å; E1063-S1065 PolarHBondContact O-N 3.27Å; S1065-A1068 PolarHBondContact O-N 2.85Å; S1065-L1069 WeakPolarHBondContact O-CB 3.39Å; S1065-L1069 PolarHBondContact O-N 3.25Å
1066L94.1Very high92Very high2 Ų231.4 Ų31.41%0.0119%0.191CC..Hα-helixtrans-69.1-46.9174.1-64.9-175.5000111.2L717 A718 V721 A1051 V1062 E1063 A1068 L1069 F1070L717-L1066 HydrophobicContact CD2-CD2 3.42Å; L717-L1066 VanDerWaalsContact CD2-CD2 3.42Å; L717-L1066 HydrophobicContact CG-CD2 3.8Å; A718-L1066 HydrophobicContact CB-CD1 3.58Å; V721-L1066 HydrophobicContact CG2-CD2 4.24Å; A1051-L1066 HydrophobicContact CB-CD2 3.58Å; V1062-L1066 WeakPolarHBondContact O-CG 3.29Å; V1062-L1066 PolarHBondContact O-N 2.92Å; E1063-L1066 PolarHBondContact O-N 3.45Å; L1066-A1068 VanDerWaalsContact C-N 3.25Å; L1066-A1068 PolarHBondContact O-N 3Å; L1066-L1069 PolarHBondContact O-N 2.9Å; L1066-F1070 HydrophobicContact CB-CD2 4.22Å; L1066-F1070 HydrophobicContact CB-CE2 4.03Å; L1066-F1070 WeakPolarHBondContact O-CB 3.43Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.03Å; L1066-F1070 WeakPolarHBondContact O-CG 3.42Å; L1066-F1070 PolarHBondContact O-N 2.76Å
1067Y93Very high92.5Very high32 Ų3229.9 Ų29.913%0.12519%0.185CC..Hα-helixtrans-56.6-44.5174.8-179.2-100.4000110.7R707 M710 R711 F947 E1063 F1070 S1071R707-Y1067 HydrophobicContact CB-CE1 4.42Å; R707-Y1067 HydrophobicContact CG-CD1 4.2Å; R707-Y1067 HydrophobicContact CG-CE1 4.05Å; M710-Y1067 HydrophobicContact CB-CD2 4.23Å; M710-Y1067 HydrophobicContact CB-CE2 3.97Å; R711-Y1067 HydrophobicContact CG-CG 4.34Å; F947-Y1067 AromaticContact CD2-CD2 3.78Å; F947-Y1067 HydrophobicContact CD2-CD2 3.78Å; F947-Y1067 AromaticContact CD2-CE2 3.8Å; F947-Y1067 HydrophobicContact CD2-CE2 3.8Å; F947-Y1067 AromaticContact CE2-CD2 3.78Å; F947-Y1067 HydrophobicContact CE2-CD2 3.78Å; F947-Y1067 HydrophobicContact CE2-CE2 4.12Å; F947-Y1067 HydrophobicContact CG-CE2 4.1Å; E1063-Y1067 WeakPolarHBondContact O-CB 3.32Å; E1063-Y1067 PolarHBondContact O-N 2.85Å; Y1067-F1070 PolarHBondContact O-N 3.47Å; Y1067-S1071 WeakPolarHBondContact O-CB 3.41Å; Y1067-S1071 PolarHBondContact O-N 3.23Å; Y1067-S1071 PolarHBondContact O-OG 3.5Å
1068A93.2Very high93.1Very high25 Ų2528.4 Ų28.421%0.20717%0.166CC..Hα-helixtrans-59.1-51.5174.600000111.3L1060 D1064 S1065 L1066 F1070 S1071 M1072L1060-A1068 HydrophobicContact CD1-CB 4.21Å; D1064-A1068 VanDerWaalsContact O-CB 3.25Å; D1064-A1068 WeakPolarHBondContact O-CB 3.44Å; D1064-A1068 PolarHBondContact O-N 3.2Å; S1065-A1068 PolarHBondContact O-N 2.85Å; L1066-A1068 VanDerWaalsContact C-N 3.25Å; L1066-A1068 PolarHBondContact O-N 3Å; A1068-F1070 PolarHBondContact O-N 3.36Å; A1068-S1071 CarbonylContact O-C 3.49Å; A1068-S1071 PolarHBondContact O-N 3.02Å; A1068-M1072 VanDerWaalsContact O-CG 3.24Å; A1068-M1072 WeakPolarHBondContact O-CG 3.48Å; A1068-M1072 PolarHBondContact O-N 3.29Å
1069L95.5Very high93.4Very high0 Ų030.9 Ų30.90%017%0.171CC..Hα-helixtrans-55.8-47.1178.6-178.660.5000112.3L1016 I1047 M1050 A1051 L1054 S1065 L1066 S1071 M1072 L1080L1016-L1069 HydrophobicContact CD2-CD2 3.91Å; L1016-L1069 HydrophobicContact CD2-CG 4.05Å; I1047-L1069 HydrophobicContact CG2-CD2 4.26Å; M1050-L1069 HydrophobicContact CB-CD1 4.42Å; M1050-L1069 HydrophobicContact CE-CD1 4.18Å; A1051-L1069 HydrophobicContact CB-CD2 3.87Å; L1054-L1069 HydrophobicContact CD1-CB 3.76Å; L1054-L1069 HydrophobicContact CD1-CD1 3.86Å; L1054-L1069 HydrophobicContact CD1-CG 4.36Å; S1065-L1069 WeakPolarHBondContact O-CB 3.39Å; S1065-L1069 PolarHBondContact O-N 3.25Å; L1066-L1069 PolarHBondContact O-N 2.9Å; L1069-S1071 VanDerWaalsContact C-N 3.26Å; L1069-S1071 PolarHBondContact O-N 3.34Å; L1069-M1072 HydrophobicContact CD1-SD 4.45Å; L1069-M1072 PolarHBondContact O-N 2.83Å; L1069-L1080 HydrophobicContact CD1-CD2 3.92Å
1070F95.6Very high93.8Very high4 Ų427.9 Ų27.92%0.01814%0.14CC..Hα-helixtrans-74-15.7178.7-63.6-52.2000113.5L717 F947 R950 L1012 L1016 L1066 Y1067 A1068L717-F1070 HydrophobicContact CD2-CE2 4.44Å; L717-F1070 HydrophobicContact CD2-CZ 3.87Å; F947-F1070 WeakPolarHBondContact CA-O 3.39Å; F947-F1070 HydrophobicContact CD2-CB 3.65Å; F947-F1070 HydrophobicContact CE2-CB 3.76Å; F947-F1070 HydrophobicContact CE2-CD2 4.44Å; F947-F1070 PolarHBondContact N-O 3.41Å; R950-F1070 WeakPolarHBondContact CD-O 3.49Å; R950-F1070 VanDerWaalsContact NH1-C 3.32Å; R950-F1070 PolarHBondContact NH1-O 3.22Å; L1012-F1070 HydrophobicContact CB-CD1 3.97Å; L1012-F1070 HydrophobicContact CB-CD2 4.48Å; L1012-F1070 HydrophobicContact CB-CE1 3.69Å; L1012-F1070 HydrophobicContact CB-CE2 4.23Å; L1012-F1070 HydrophobicContact CB-CG 4.36Å; L1012-F1070 HydrophobicContact CB-CZ 3.83Å; L1012-F1070 HydrophobicContact CD1-CD1 4.47Å; L1012-F1070 HydrophobicContact CD1-CD2 3.79Å; L1012-F1070 HydrophobicContact CD1-CE2 4.02Å; L1012-F1070 HydrophobicContact CD1-CG 4.04Å; L1012-F1070 HydrophobicContact CD1-CZ 4.47Å; L1012-F1070 HydrophobicContact CD2-CB 4.45Å; L1012-F1070 HydrophobicContact CD2-CD1 4.3Å; L1012-F1070 HydrophobicContact CD2-CG 4.32Å; L1012-F1070 HydrophobicContact CG-CD1 4.49Å; L1012-F1070 HydrophobicContact CG-CG 4.49Å; L1016-F1070 HydrophobicContact CB-CE1 4.28Å; L1016-F1070 HydrophobicContact CD2-CD1 4.02Å; L1016-F1070 HydrophobicContact CD2-CE1 3.62Å; L1066-F1070 HydrophobicContact CB-CD2 4.22Å; L1066-F1070 HydrophobicContact CB-CE2 4.03Å; L1066-F1070 WeakPolarHBondContact O-CB 3.43Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.03Å; L1066-F1070 WeakPolarHBondContact O-CG 3.42Å; L1066-F1070 PolarHBondContact O-N 2.76Å; Y1067-F1070 PolarHBondContact O-N 3.47Å; A1068-F1070 PolarHBondContact O-N 3.36Å
1071S94.2Very high94.1Very high34 Ų3426.6 Ų26.624%0.23813%0.133CC..Hα-helixtrans-97.3-8.8176.2-55.50000113.4Y1067 A1068 L1069Y1067-S1071 WeakPolarHBondContact O-CB 3.41Å; Y1067-S1071 PolarHBondContact O-N 3.23Å; Y1067-S1071 PolarHBondContact O-OG 3.5Å; A1068-S1071 CarbonylContact O-C 3.49Å; A1068-S1071 PolarHBondContact O-N 3.02Å; L1069-S1071 VanDerWaalsContact C-N 3.26Å; L1069-S1071 PolarHBondContact O-N 3.34Å
1072M95Very high94.2Very high25 Ų2525.2 Ų25.212%0.12312%0.121CC..SBendtrans-67.6147-178.4-83.1168.469.300112.2R950 L1054 A1068 L1069 D1076 L1080R950-M1072 VanDerWaalsContact CZ-O 3.23Å; R950-M1072 PolarHBondContact NH1-O 3.44Å; R950-M1072 PolarHBondContact NH2-O 2.91Å; L1054-M1072 HydrophobicContact CD1-SD 3.67Å; L1054-M1072 HydrophobicContact CD2-SD 4.1Å; A1068-M1072 VanDerWaalsContact O-CG 3.24Å; A1068-M1072 WeakPolarHBondContact O-CG 3.48Å; A1068-M1072 PolarHBondContact O-N 3.29Å; L1069-M1072 HydrophobicContact CD1-SD 4.45Å; L1069-M1072 PolarHBondContact O-N 2.83Å; M1072-D1076 HydrophobicContact CB-CB 4.49Å; M1072-D1076 HydrophobicContact CE-CB 3.7Å; M1072-D1076 VanDerWaalsContact CE-O 3.3Å; M1072-D1076 WeakPolarHBondContact CE-O 3.47Å; M1072-L1080 HydrophobicContact CE-CB 4.18Å; M1072-L1080 HydrophobicContact CE-CD2 4.17Å; M1072-L1080 HydrophobicContact SD-CD2 4.39Å
1073R96.2Very high94.2Very high72 Ų7225.6 Ų25.627%0.27212%0.122SC..  trans-61.8146.3171.8-64.417560.5-171.6-5.1110.3D559 E561 I1075 D1076 T1077D559-R1073 IonicContact OD1-CZ 2.61Å; D559-R1073 IonicContact OD1-NE 3.02Å; D559-R1073 IonicContact OD1-NH2 3.75Å; D559-R1073 PolarHBondContact OD1-NH2 3.47Å; D559-R1073 WeakPolarHBondContact OD2-CB 3.31Å; D559-R1073 IonicContact OD2-NE 3.19Å; D559-R1073 IonicContact OD2-NH2 2.91Å; E561-R1073 IonicContact OE1-CZ 2.98Å; E561-R1073 VanDerWaalsContact OE1-CZ 3.26Å; E561-R1073 IonicContact OE1-NH1 3.15Å; E561-R1073 PolarHBondContact OE1-NH1 3.27Å; E561-R1073 IonicContact OE1-NH2 3.22Å; E561-R1073 PolarHBondContact OE1-NH2 2.63Å; R1073-I1075 HydrophobicContact CB-CG2 4.1Å; R1073-I1075 PolarHBondContact O-N 2.51Å; R1073-I1075 VanDerWaalsContact O-N 3.15Å; R1073-D1076 HydrophobicContact CB-CB 4.41Å; R1073-D1076 PolarHBondContact O-N 3.21Å; R1073-T1077 PolarHBondContact O-N 2.9Å; R1073-T1077 PolarHBondContact O-OG1 2.86Å
1074P96Very high94.3Very high0 Ų023.1 Ų23.10%011%0.111CC..Hα-helixtrans-44.9-44172.9-33.337.9000114.3L556 D559 F562 W946 Y1023 D1076 T1077 K1078L556-P1074 HydrophobicContact CD2-CB 3.76Å; L556-P1074 HydrophobicContact CD2-CG 3.83Å; D559-P1074 HydrophobicContact CB-CB 4.22Å; D559-P1074 HydrophobicContact CB-CG 4.03Å; D559-P1074 WeakPolarHBondContact OD2-CD 3.31Å; F562-P1074 HydrophobicContact CB-CB 4.25Å; F562-P1074 HydrophobicContact CD2-CB 4.29Å; F562-P1074 HydrophobicContact CG-CB 4.17Å; W946-P1074 HydrophobicContact CE3-CG 4.05Å; W946-P1074 HydrophobicContact CH2-CG 4.3Å; W946-P1074 HydrophobicContact CZ3-CG 3.86Å; Y1023-P1074 WeakPolarHBondContact OH-CA 3.26Å; Y1023-P1074 WeakPolarHBondContact OH-CB 3.48Å; P1074-D1076 VanDerWaalsContact C-N 3.35Å; P1074-D1076 PolarHBondContact O-N 3.28Å; P1074-T1077 PolarHBondContact O-N 2.9Å; P1074-K1078 WeakPolarHBondContact O-CB 3.35Å; P1074-K1078 PolarHBondContact O-N 3.43Å
1075I95.6Very high94.4Very high7 Ų722.3 Ų22.34%0.03611%0.106CC..Hα-helixtrans-64.1-38.1177.7-169.660.1000113D559 E561 F562 D565 R1073 K1078 R1079D559-I1075 WeakPolarHBondContact OD2-CB 3.43Å; D559-I1075 VanDerWaalsContact OD2-CG2 3.23Å; D559-I1075 WeakPolarHBondContact OD2-CG2 3.4Å; D559-I1075 PolarHBondContact OD2-N 3.15Å; E561-I1075 HydrophobicContact CB-CB 4.11Å; E561-I1075 HydrophobicContact CB-CG1 3.99Å; E561-I1075 HydrophobicContact CB-CG2 4.01Å; F562-I1075 HydrophobicContact CB-CB 4.35Å; D565-I1075 HydrophobicContact CB-CD1 4.3Å; R1073-I1075 HydrophobicContact CB-CG2 4.1Å; R1073-I1075 PolarHBondContact O-N 2.51Å; R1073-I1075 VanDerWaalsContact O-N 3.15Å; I1075-K1078 PolarHBondContact O-N 3.27Å; I1075-R1079 WeakPolarHBondContact O-CB 3.38Å; I1075-R1079 VanDerWaalsContact O-CG 3.27Å; I1075-R1079 WeakPolarHBondContact O-CG 3.35Å; I1075-R1079 PolarHBondContact O-N 2.87Å
1076D96.5Very high94.1Very high39 Ų3924.2 Ų24.221%0.20912%0.119CC..Hα-helixtrans-74.6-36.3-178.6-63.7-37.9000110.5M1072 R1073 P1074 K1078 R1079 L1080M1072-D1076 HydrophobicContact CB-CB 4.49Å; M1072-D1076 HydrophobicContact CE-CB 3.7Å; M1072-D1076 VanDerWaalsContact CE-O 3.3Å; M1072-D1076 WeakPolarHBondContact CE-O 3.47Å; R1073-D1076 HydrophobicContact CB-CB 4.41Å; R1073-D1076 PolarHBondContact O-N 3.21Å; P1074-D1076 VanDerWaalsContact C-N 3.35Å; P1074-D1076 PolarHBondContact O-N 3.28Å; D1076-K1078 VanDerWaalsContact C-N 3.35Å; D1076-R1079 PolarHBondContact O-N 3.49Å; D1076-R1079 IonicContact OD1-NH1 2.85Å; D1076-R1079 PolarHBondContact OD1-NH1 3.4Å; D1076-R1079 VanDerWaalsContact OD1-NH1 3.1Å; D1076-L1080 WeakPolarHBondContact O-CB 3.39Å; D1076-L1080 PolarHBondContact O-N 2.97Å
1077T97Very high93Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-60.9-44.6170.6-54.80000110.7R950 L1016 I1020 Y1023 M1050 R1073 P1074 L1080 L1081R950-T1077 PolarHBondContact NH2-OG1 2.96Å; L1016-T1077 HydrophobicContact CD1-CG2 4Å; I1020-T1077 HydrophobicContact CD1-CG2 4.02Å; Y1023-T1077 HydrophobicContact CD2-CG2 4.46Å; Y1023-T1077 HydrophobicContact CE2-CG2 3.81Å; M1050-T1077 HydrophobicContact CE-CG2 3.76Å; M1050-T1077 WeakPolarHBondContact CE-O 3.5Å; R1073-T1077 PolarHBondContact O-N 2.9Å; R1073-T1077 PolarHBondContact O-OG1 2.86Å; P1074-T1077 PolarHBondContact O-N 2.9Å; T1077-L1080 PolarHBondContact O-N 2.84Å; T1077-L1081 PolarHBondContact O-N 3.37Å
1078K96Very high91.5Very high13 Ų1330 Ų306%0.05715%0.153CC..Hα-helixtrans-61.4-43174.4-175.4-173.9-176.8-157.40112F562 D565 Y1023 M1026 F1027 P1074 I1075 D1076 L1081 H1082F562-K1078 HydrophobicContact CE2-CD 4.28Å; D565-K1078 IonicContact OD1-NZ 3.92Å; D565-K1078 IonicContact OD2-NZ 2.86Å; D565-K1078 PolarHBondContact OD2-NZ 3.08Å; Y1023-K1078 HydrophobicContact CD1-CB 4.26Å; Y1023-K1078 HydrophobicContact CD1-CG 4.35Å; Y1023-K1078 HydrophobicContact CD2-CB 4.1Å; Y1023-K1078 HydrophobicContact CE1-CB 4.5Å; Y1023-K1078 HydrophobicContact CE2-CB 4.36Å; Y1023-K1078 HydrophobicContact CG-CB 4.08Å; Y1023-K1078 HydrophobicContact CG-CG 4.15Å; M1026-K1078 HydrophobicContact CE-CD 4.48Å; M1026-K1078 HydrophobicContact SD-CD 4.46Å; F1027-K1078 HydrophobicContact CE2-CG 4.12Å; F1027-K1078 HydrophobicContact CZ-CD 4.32Å; F1027-K1078 HydrophobicContact CZ-CG 3.65Å; P1074-K1078 WeakPolarHBondContact O-CB 3.35Å; P1074-K1078 PolarHBondContact O-N 3.43Å; I1075-K1078 PolarHBondContact O-N 3.27Å; D1076-K1078 VanDerWaalsContact C-N 3.35Å; K1078-L1081 PolarHBondContact O-N 3.45Å; K1078-H1082 WeakPolarHBondContact O-CB 3.49Å; K1078-H1082 PolarHBondContact O-N 2.9Å
1079R94.9Very high89.4Confident112 Ų11233 Ų3342%0.42317%0.166SC..Hα-helixtrans-64-39.7176.9-75.4169.4178.81572.9112E561 I1075 D1076 H1082 N1083E561-R1079 IonicContact OE2-CZ 3.69Å; E561-R1079 IonicContact OE2-NH1 2.77Å; E561-R1079 PolarHBondContact OE2-NH1 3.29Å; E561-R1079 IonicContact OE2-NH2 2.64Å; E561-R1079 PolarHBondContact OE2-NH2 3.27Å; I1075-R1079 WeakPolarHBondContact O-CB 3.38Å; I1075-R1079 VanDerWaalsContact O-CG 3.27Å; I1075-R1079 WeakPolarHBondContact O-CG 3.35Å; I1075-R1079 PolarHBondContact O-N 2.87Å; D1076-R1079 PolarHBondContact O-N 3.49Å; D1076-R1079 IonicContact OD1-NH1 2.85Å; D1076-R1079 PolarHBondContact OD1-NH1 3.4Å; D1076-R1079 VanDerWaalsContact OD1-NH1 3.1Å; R1079-H1082 WeakPolarHBondContact O-CB 3.13Å; R1079-H1082 PolarHBondContact O-N 3.12Å; R1079-N1083 PolarHBondContact O-N 2.84Å; R1079-N1083 PolarHBondContact O-ND2 2.62Å; R1079-N1083 PolarHBondContact O-OD1 3.04Å
1080L94.7Very high86.9Confident2 Ų234.1 Ų34.11%0.0117%0.171CC..Hα-helixtrans-61.4-46.4174.4176.160.9000111.2M1050 L1054 L1069 M1072 D1076 T1077 H1082 N1083 L1084 M1090M1050-L1080 HydrophobicContact CB-CD2 3.87Å; M1050-L1080 HydrophobicContact CB-CG 4.24Å; M1050-L1080 HydrophobicContact CE-CB 4.04Å; M1050-L1080 HydrophobicContact CE-CD2 3.74Å; M1050-L1080 HydrophobicContact CE-CG 3.82Å; M1050-L1080 HydrophobicContact CG-CD2 4.3Å; M1050-L1080 HydrophobicContact CG-CG 4.18Å; L1054-L1080 HydrophobicContact CD1-CD2 3.57Å; L1054-L1080 HydrophobicContact CD2-CD1 4.36Å; L1054-L1080 HydrophobicContact CD2-CD2 3.97Å; L1054-L1080 HydrophobicContact CG-CD1 4.38Å; L1054-L1080 HydrophobicContact CG-CD2 3.6Å; L1069-L1080 HydrophobicContact CD1-CD2 3.92Å; M1072-L1080 HydrophobicContact CE-CB 4.18Å; M1072-L1080 HydrophobicContact CE-CD2 4.17Å; M1072-L1080 HydrophobicContact SD-CD2 4.39Å; D1076-L1080 WeakPolarHBondContact O-CB 3.39Å; D1076-L1080 PolarHBondContact O-N 2.97Å; T1077-L1080 PolarHBondContact O-N 2.84Å; L1080-H1082 VanDerWaalsContact C-N 3.35Å; L1080-H1082 PolarHBondContact O-N 3.35Å; L1080-N1083 PolarHBondContact O-N 3.4Å; L1080-L1084 PolarHBondContact O-N 2.87Å; L1080-L1084 VanDerWaalsContact O-N 3.07Å; L1080-M1090 HydrophobicContact CD1-CE 4.32Å; L1080-M1090 HydrophobicContact CD1-SD 3.25Å; L1080-M1090 WeakPolarHBondContact CD1-SD 3.37Å
1081L95.5Very high84.4Confident0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-60.6-43.4174.7177.560.7000111.9I1020 Y1023 L1024 F1027 I1046 M1050 T1077 K1078 N1083 L1084 L1085I1020-L1081 HydrophobicContact CD1-CD2 4.3Å; I1020-L1081 HydrophobicContact CG2-CD2 4.17Å; Y1023-L1081 HydrophobicContact CD2-CD2 4.45Å; L1024-L1081 HydrophobicContact CD2-CD1 4.43Å; L1024-L1081 HydrophobicContact CD2-CD2 4.15Å; L1024-L1081 HydrophobicContact CG-CD2 4.12Å; F1027-L1081 HydrophobicContact CD2-CD2 4.18Å; F1027-L1081 HydrophobicContact CD2-CG 4.41Å; F1027-L1081 HydrophobicContact CE2-CB 4.32Å; F1027-L1081 HydrophobicContact CE2-CD2 3.84Å; F1027-L1081 HydrophobicContact CE2-CG 3.9Å; I1046-L1081 HydrophobicContact CG2-CD1 3.48Å; I1046-L1081 VanDerWaalsContact CG2-CD1 3.48Å; M1050-L1081 HydrophobicContact CE-CB 4.07Å; M1050-L1081 HydrophobicContact SD-CB 4.15Å; M1050-L1081 HydrophobicContact SD-CD1 4.18Å; T1077-L1081 PolarHBondContact O-N 3.37Å; K1078-L1081 PolarHBondContact O-N 3.45Å; L1081-N1083 VanDerWaalsContact C-N 3.32Å; L1081-N1083 PolarHBondContact O-N 3.07Å; L1081-L1084 PolarHBondContact O-N 3.42Å; L1081-L1085 HydrophobicContact CD1-CD1 4.26Å; L1081-L1085 HydrophobicContact CD1-CG 4.18Å; L1081-L1085 HydrophobicContact CG-CD1 4.15Å; L1081-L1085 HydrophobicContact CG-CG 4.48Å; L1081-L1085 WeakPolarHBondContact O-CG 3.29Å; L1081-L1085 PolarHBondContact O-N 2.97Å
1082H93.2Very high81.6Confident51 Ų5148.1 Ų48.124%0.23623%0.227CC..Hα-helixtrans-56.1-45.4175.6172-81.6000112.3F1027 K1034 K1078 R1079 L1080 L1084 L1085 S1086F1027-H1082 HydrophobicContact CE1-CB 4Å; F1027-H1082 AromaticContact CE1-CD2 3.81Å; F1027-H1082 HydrophobicContact CE2-CB 4.42Å; F1027-H1082 HydrophobicContact CZ-CB 3.61Å; K1034-H1082 PolarHBondContact NZ-CD2 3.02Å; K1034-H1082 PolarHBondContact NZ-CE1 3.34Å; K1034-H1082 VanDerWaalsContact NZ-CE1 3.33Å; K1034-H1082 PolarHBondContact NZ-NE2 3.22Å; K1078-H1082 WeakPolarHBondContact O-CB 3.49Å; K1078-H1082 PolarHBondContact O-N 2.9Å; R1079-H1082 WeakPolarHBondContact O-CB 3.13Å; R1079-H1082 PolarHBondContact O-N 3.12Å; L1080-H1082 VanDerWaalsContact C-N 3.35Å; L1080-H1082 PolarHBondContact O-N 3.35Å; H1082-L1084 VanDerWaalsContact C-N 3.34Å; H1082-L1085 PolarHBondContact O-N 2.94Å; H1082-S1086 WeakPolarHBondContact O-CB 3.24Å; H1082-S1086 PolarHBondContact O-N 3.31Å; H1082-S1086 PolarHBondContact O-OG 2.94Å
1083N90.9Very high78.6Confident36 Ų3649.1 Ų49.119%0.19323%0.234CC..Hα-helixtrans-65.3-41.2-179.9-64.4-14.1000110.9R1079 L1080 L1081 S1086 G1087R1079-N1083 PolarHBondContact O-N 2.84Å; R1079-N1083 PolarHBondContact O-ND2 2.62Å; R1079-N1083 PolarHBondContact O-OD1 3.04Å; L1080-N1083 PolarHBondContact O-N 3.4Å; L1081-N1083 VanDerWaalsContact C-N 3.32Å; L1081-N1083 PolarHBondContact O-N 3.07Å; N1083-S1086 PolarHBondContact O-N 3.36Å; N1083-G1087 PolarHBondContact O-N 3.31Å
1084L91Very high75.5Confident11 Ų1153.9 Ų53.96%0.05826%0.257CS..Hα-helixtrans-61.6-46.5176.2-171.3149.2000111.8M1049 M1050 L1080 L1081 H1082 G1087 I1179 L1183M1049-L1084 HydrophobicContact CB-CD1 3.86Å; M1049-L1084 HydrophobicContact CG-CD1 3.73Å; M1050-L1084 HydrophobicContact CG-CD1 3.9Å; L1080-L1084 PolarHBondContact O-N 2.87Å; L1080-L1084 VanDerWaalsContact O-N 3.07Å; L1081-L1084 PolarHBondContact O-N 3.42Å; H1082-L1084 VanDerWaalsContact C-N 3.34Å; L1084-G1087 PolarHBondContact O-N 3.25Å; L1084-I1179 HydrophobicContact CG-CG2 4.43Å; L1084-L1183 HydrophobicContact CD2-CD1 3.94Å; L1084-L1183 HydrophobicContact CD2-CD2 3.56Å; L1084-L1183 HydrophobicContact CD2-CG 3.91Å
1085L90.9Very high72.3Confident4 Ų456.8 Ų56.82%0.02128%0.275CS..Hα-helixtrans-66.9-36177.9-68.8173.8000113.2L1024 F1027 K1034 L1081 H1082 G1087 L1183 R1185L1024-L1085 HydrophobicContact CD2-CD1 3.97Å; L1024-L1085 HydrophobicContact CD2-CD2 4.49Å; F1027-L1085 HydrophobicContact CD2-CD1 3.74Å; F1027-L1085 HydrophobicContact CE2-CD1 4.3Å; F1027-L1085 HydrophobicContact CG-CD1 4.26Å; K1034-L1085 HydrophobicContact CB-CB 4.49Å; L1081-L1085 HydrophobicContact CD1-CD1 4.26Å; L1081-L1085 HydrophobicContact CD1-CG 4.18Å; L1081-L1085 HydrophobicContact CG-CD1 4.15Å; L1081-L1085 HydrophobicContact CG-CG 4.48Å; L1081-L1085 WeakPolarHBondContact O-CG 3.29Å; L1081-L1085 PolarHBondContact O-N 2.97Å; H1082-L1085 PolarHBondContact O-N 2.94Å; L1085-G1087 PolarHBondContact O-N 3.22Å; L1085-L1183 HydrophobicContact CD2-CD1 4.39Å; L1085-L1183 HydrophobicContact CD2-CD2 3.81Å; L1085-R1185 PolarHBondContact O-NH2 3.41Å
1086S86.4Confident69.1Low39 Ų3962.6 Ų62.627%0.27332%0.316SS..Hα-helixtrans-75-16.6-178.5-49.50000112.4K1034 H1082 N1083 E1088K1034-S1086 WeakPolarHBondContact CE-OG 3.45Å; K1034-S1086 PolarHBondContact NZ-OG 2.87Å; H1082-S1086 WeakPolarHBondContact O-CB 3.24Å; H1082-S1086 PolarHBondContact O-N 3.31Å; H1082-S1086 PolarHBondContact O-OG 2.94Å; N1083-S1086 PolarHBondContact O-N 3.36Å; S1086-E1088 PolarHBondContact O-N 2.93Å
1087G71.2Confident66Low21 Ų2164.8 Ų64.822%0.21633%0.331CS..THydrogen-bonded Turntrans65.914-17600000113.5N1083 L1084 L1085 R1176N1083-G1087 PolarHBondContact O-N 3.31Å; L1084-G1087 PolarHBondContact O-N 3.25Å; L1085-G1087 PolarHBondContact O-N 3.22Å; G1087-R1176 PolarHBondContact O-NH1 3.29Å
1088E61Low62.5Low135 Ų13572.7 Ų72.763%0.63137%0.373SS*.  trans-72.9133.5172.6-69.7-168.2158.100109S1086 M1090S1086-E1088 PolarHBondContact O-N 2.93Å; E1088-M1090 PolarHBondContact O-N 2.87Å; E1088-M1090 VanDerWaalsContact O-N 3.08Å
1089D49.3Very low59.1Low88 Ų8877.4 Ų77.447%0.47140%0.395SS..  trans-57.1117.4175.5-93.4-40.2000110R1091 R1175D1089-R1091 PolarHBondContact O-N 3.49Å; D1089-R1175 IonicContact OD1-CZ 2.72Å; D1089-R1175 IonicContact OD1-NH1 3.85Å; D1089-R1175 PolarHBondContact OD1-NH1 2.6Å
1090M44.9Very low55.7Low23 Ų2376.8 Ų76.811%0.11340%0.404CS..  trans-68.471.8176.5-165.7178.970.300111.3E1053 L1080 E1088 V1093E1053-M1090 VanDerWaalsContact C-CE 3.42Å; E1053-M1090 HydrophobicContact CB-CE 3.93Å; E1053-M1090 WeakPolarHBondContact O-CE 3.28Å; L1080-M1090 HydrophobicContact CD1-CE 4.32Å; L1080-M1090 HydrophobicContact CD1-SD 3.25Å; L1080-M1090 WeakPolarHBondContact CD1-SD 3.37Å; E1088-M1090 PolarHBondContact O-N 2.87Å; E1088-M1090 VanDerWaalsContact O-N 3.08Å; M1090-V1093 HydrophobicContact CG-CG2 4.02Å; M1090-V1093 HydrophobicContact SD-CG2 4.09Å
1091R42.2Very low52.5Low184 Ų18482.6 Ų82.669%0.69443%0.427SS*.  trans-92.8-1.4170.7-76.5-174.4178.2178.30.5113.1D1089D1089-R1091 PolarHBondContact O-N 3.49Å
1092M34.7Very low49Very low149 Ų14990.2 Ų90.273%0.73446%0.462SS*.  trans-143.845.1-165.2-71.8-17353.800116K1094M1092-K1094 VanDerWaalsContact C-N 3.27Å; M1092-K1094 PolarHBondContact O-N 2.88Å; M1092-K1094 VanDerWaalsContact O-N 3.15Å
1093V33.5Very low45.6Very low45 Ų4598.5 Ų98.527%0.27349%0.491SS..  trans-82.486.4154-174.70000107.1M1090 T1095M1090-V1093 HydrophobicContact CG-CG2 4.02Å; M1090-V1093 HydrophobicContact SD-CG2 4.09Å; V1093-T1095 VanDerWaalsContact C-N 3.28Å; V1093-T1095 HydrophobicContact CG1-CG2 4.12Å; V1093-T1095 PolarHBondContact O-N 2.88Å
1094K29.7Very low42.2Very low172 Ų172108.7 Ų108.775%0.74853%0.527SS*.  trans-70.592.1161-71.6-176.9178.6-179.40106.3M1092 S1096M1092-K1094 VanDerWaalsContact C-N 3.27Å; M1092-K1094 PolarHBondContact O-N 2.88Å; M1092-K1094 VanDerWaalsContact O-N 3.15Å; K1094-S1096 PolarHBondContact O-N 3.4Å
1095T30Very low38.9Very low61 Ų61112.8 Ų112.837%0.37456%0.557SS.*  trans-58.6123.916045.10000106V1093 T1097V1093-T1095 VanDerWaalsContact C-N 3.28Å; V1093-T1095 HydrophobicContact CG1-CG2 4.12Å; V1093-T1095 PolarHBondContact O-N 2.88Å; T1095-T1097 PolarHBondContact O-N 3.48Å
1096S27.7Very low35.6Very low129 Ų129119.5 Ų119.590%0.90260%0.598SS**SBendtrans-71.118.4-178.1-63.90000113.1K1094K1094-S1096 PolarHBondContact O-N 3.4Å
1097T30.8Very low32.6Very low85 Ų85121.4 Ų121.452%0.52162%0.616SS.*SBendtrans-113.4105.2172.543.80000106.9T1095 Q1099T1095-T1097 PolarHBondContact O-N 3.48Å; T1097-Q1099 PolarHBondContact O-N 3.33Å
1098N24.2Very low30.2Very low167 Ų167129.2 Ų129.289%0.89365%0.647SS**  trans-6358.3161.6-81.1-23.6000110.1T1100N1098-T1100 PolarHBondContact O-N 2.94Å; N1098-T1100 VanDerWaalsContact O-N 3.07Å
1099Q25.2Very low28.3Very low111 Ų111128.7 Ų128.752%0.51966%0.655SS.*  trans-7591.5159-77.4-172.8-8.500105.4T1097 Y1101T1097-Q1099 PolarHBondContact O-N 3.33Å; Q1099-Y1101 VanDerWaalsContact O-CD2 3.32Å; Q1099-Y1101 WeakPolarHBondContact O-CD2 3.45Å; Q1099-Y1101 PolarHBondContact O-N 3.5Å
1100T23.3Very low27Very low99 Ų99132.4 Ų132.461%0.60767%0.673SS**  trans-55.6106.2171.136.10000108.7N1098 H1102N1098-T1100 PolarHBondContact O-N 2.94Å; N1098-T1100 VanDerWaalsContact O-N 3.07Å; T1100-H1102 PolarHBondContact O-CD2 3.21Å; T1100-H1102 PolarHBondContact O-N 2.91Å; T1100-H1102 PolarHBondContact OG1-NE2 2.91Å
1101Y26.5Very low25.8Very low125 Ų125141.1 Ų141.149%0.4971%0.711SS.*  trans-65.681.1170.8-65.7-86.7000108.9L1060 Q1099 R1103L1060-Y1101 HydrophobicContact CD2-CD1 4.26Å; L1060-Y1101 HydrophobicContact CD2-CE1 3.82Å; Q1099-Y1101 VanDerWaalsContact O-CD2 3.32Å; Q1099-Y1101 WeakPolarHBondContact O-CD2 3.45Å; Q1099-Y1101 PolarHBondContact O-N 3.5Å; Y1101-R1103 PolarHBondContact O-N 3.31Å
1102H23.2Very low24.7Very low159 Ų159140.3 Ų140.374%0.73672%0.719SS**  trans-69.296.9176.4-76.3-71.4000109.6T1100 R1104T1100-H1102 PolarHBondContact O-CD2 3.21Å; T1100-H1102 PolarHBondContact O-N 2.91Å; T1100-H1102 PolarHBondContact OG1-NE2 2.91Å; H1102-R1104 PolarHBondContact O-N 3.42Å
1103R20.7Very low24.1Very low226 Ų226141.6 Ų141.685%0.85373%0.725SS**  trans-57.8117.5155-160.6179.9-146.5-160.65.2106.5Y1101 S1105Y1101-R1103 PolarHBondContact O-N 3.31Å; R1103-S1105 VanDerWaalsContact C-N 3.26Å; R1103-S1105 PolarHBondContact O-N 2.99Å
1104R19.5Very low23.5Very low250 Ų250147 Ų14794%0.94375%0.753SS**  trans-58.989.8170.6-75.2178.4175.7169.7-1.6108.4H1102H1102-R1104 PolarHBondContact O-N 3.42Å
1105S23.1Very low23.1Very low97 Ų97145 Ų14568%0.67876%0.756SS**  trans-105.7114.4159.6-168.70000106.9R1103 A1107R1103-S1105 VanDerWaalsContact C-N 3.26Å; R1103-S1105 PolarHBondContact O-N 2.99Å; S1105-A1107 PolarHBondContact O-N 2.83Å
1106T21.9Very low22.5Very low145 Ų145148.3 Ų148.389%0.8978%0.776SS**  trans-69.580.7172.648.30000108.6
1107A21.9Very low22.3Very low79 Ų79149.8 Ų149.865%0.65377%0.773SS**  trans-130.5111.716900000108.1S1105S1105-A1107 PolarHBondContact O-N 2.83Å
1108Q21.1Very low21.8Very low184 Ų184151.7 Ų151.786%0.8678%0.784SS**PPolyproline II helixtrans-64.3135.5179-72.6178.6-19.200109.9I1110Q1108-I1110 PolarHBondContact O-N 2.89Å
1109P20.8Very low21.9Very low125 Ų125151.5 Ų151.581%0.81278%0.783SS**PPolyproline II helixtrans-77.4119.2-177.92.912.5000110.1K1111P1109-K1111 PolarHBondContact O-N 3.27Å
1110I21.9Very low21.8Very low165 Ų165154.7 Ų154.785%0.84680%0.798SS**PPolyproline II helixtrans-78.4118170.3-61.9175000108Q1108 L1112Q1108-I1110 PolarHBondContact O-N 2.89Å; I1110-L1112 PolarHBondContact O-N 2.72Å
1111K19.4Very low21.9Very low206 Ų206157 Ų15790%0.89681%0.807SS**PPolyproline II helixtrans-63.1116.5171.7-75.6175.3173.7176.90109.6P1109P1109-K1111 PolarHBondContact O-N 3.27Å
1112L20.3Very low22Very low167 Ų167159 Ų15987%0.87483%0.826SS**  trans-119131.7164.2-165.565.5000109.8I1110I1110-L1112 PolarHBondContact O-N 2.72Å
1113M21.6Very low21.9Very low176 Ų176159.1 Ų159.187%0.86783%0.831SS**  trans-69.9152.4-171.7-78.7178.1165.600113.5
1114N20.1Very low21.9Very low159 Ų159157.3 Ų157.385%0.8583%0.832SS**  trans-54.8133.3175-62.5-24.7000113.3
1115T21.5Very low22.1Very low131 Ų131149.8 Ų149.880%0.80482%0.824SS**  trans-130.5107155.9-3.40000109
1116T19.1Very low22.2Very low130 Ų130152.3 Ų152.380%0.79884%0.835SS**  trans-68.2122.5170.9440000110.2
1117L21.5Very low22.1Very low160 Ų160153.1 Ų153.184%0.83883%0.834SS**  trans-133.4103.2165-95.2139.2000109.2
1118T21.6Very low22.2Very low125 Ų125156.6 Ų156.677%0.76784%0.841SS**  trans-70.2130.7164.645.20000109.7
1119N26.9Very low22.5Very low163 Ų163154.4 Ų154.487%0.87284%0.841SS**  trans-156.4104.7149.4-102.9-17.8000109.5
1120Q22.8Very low22.7Very low177 Ų177156.9 Ų156.983%0.82785%0.845SS**  trans-73.5141.6158.9-69.5171.2-73.200107.9
1121D25.4Very low22.7Very low147 Ų147154.9 Ų154.979%0.78685%0.845SS**  trans143.5125.1145.2-71.6-17.4000111.9
1122N28Very low22.9Very low167 Ų167148.5 Ų148.589%0.89384%0.839SS**  trans132.572.6157.5-68.4-34.7000112.5
1123L20.7Very low23.1Very low163 Ų163146.4 Ų146.485%0.85384%0.838SS**  trans-132.471.2171.6-156.2121.9000108.7
1124Q21.9Very low23.1Very low187 Ų187144.7 Ų144.787%0.87484%0.837SS**  trans-166.578.9170.6-157.274.925.200112.6
1125A23.1Very low23.3Very low93 Ų93147.2 Ų147.277%0.76984%0.84SS**  trans-179.371.7157.100000112.2
1126T24.8Very low23.3Very low149 Ų149150 Ų15091%0.91484%0.842SS**  trans-161.361.7162.5-9.80000111.3
1127L20.2Very low23.4Very low163 Ų163155.3 Ų155.385%0.85385%0.847SS**  trans-140.3120.7168.3-108.4142.9000105.9
1128D23.2Very low23.6Very low151 Ų151153.3 Ų153.381%0.80785%0.846SS**  trans123.3100.8174.2-64.2-15.8000111.1
1129T28.1Very low23.7Very low139 Ų139153.9 Ų153.985%0.85385%0.85SS**  trans165.775.4140.7-58.40000109.2
1130I24.4Very low23.7Very low177 Ų177150.5 Ų150.591%0.90884%0.844SS**  trans-138.487.6160.5-56.5174.5000108.8
1131S22.4Very low23.7Very low122 Ų122147.4 Ų147.485%0.85385%0.849SS**  trans-166.4117.4160.5590000110.4
1132G23.2Very low23.5Very low73 Ų73151.4 Ų151.475%0.75385%0.853SS**  trans156.291.2167.300000118
1133S23.7Very low23.3Very low123 Ų123149 Ų14986%0.8685%0.846SS**  trans53111.9131.9-54.90000123.5
1134V22.2Very low23.3Very low140 Ų140149.2 Ų149.285%0.84885%0.848SS**  trans-3.2124.4141.5-174.50000118.8
1135K24.9Very low23.3Very low211 Ų211148 Ų14892%0.91785%0.846SS**  trans-161.3136.6146.6-106.6170.7-168179.90114.1
1136K22Very low23.3Very low191 Ų191149.4 Ų149.483%0.8385%0.845SS**  trans-37.3152.8176.6-67.6172176.6177.50121.1
1137R20.3Very low23.2Very low241 Ų241147.4 Ų147.491%0.90984%0.837SS**  trans75.6119.7145.2-76173.4176.9-177.8-2.4120.6
1138S25.7Very low23.2Very low118 Ų118150.8 Ų150.883%0.82584%0.839SS**  160134.9118.9-176.30000112.3
1139T23.5Very low23.2Very low137 Ų137153 Ų15384%0.8484%0.841SS**  trans-76.6116.4178.544.30000112.1
1140A26.1Very low22.8Very low91 Ų91155.6 Ų155.675%0.75284%0.843SS**  trans-151.6115.6157.600000109R1142A1140-R1142 PolarHBondContact O-N 3.08Å; A1140-R1142 VanDerWaalsContact O-N 3.08Å
1141A22.9Very low22.7Very low113 Ų113152.1 Ų152.193%0.93484%0.835SS**  trans-61.5106.117400000109.7
1142R22.1Very low22.6Very low230 Ų230154.2 Ų154.287%0.86884%0.835SS**  trans-123.4141.4163.5-104.7-177.9176.3-171.8-0.8108.7A1140A1140-R1142 PolarHBondContact O-N 3.08Å; A1140-R1142 VanDerWaalsContact O-N 3.08Å
1143P23.6Very low22.5Very low116 Ų116156.9 Ų156.975%0.75384%0.836SS**  trans-66.9144.1-164.5-621000110.9I1145P1143-I1145 VanDerWaalsContact C-N 3.34Å; P1143-I1145 PolarHBondContact O-N 3.46Å
1144L21.1Very low22.4Very low169 Ų169155.1 Ų155.189%0.88583%0.829SS**  trans-54.590.1174.8-78.3145.1000111.1T1146L1144-T1146 VanDerWaalsContact C-N 3.32Å; L1144-T1146 PolarHBondContact O-N 2.99Å; L1144-T1146 VanDerWaalsContact O-N 3.11Å
1145I22.6Very low22.2Very low162 Ų162152.3 Ų152.383%0.83183%0.828SS**  trans-73.196.7158.2-62.7175.3000105P1143 S1147P1143-I1145 VanDerWaalsContact C-N 3.34Å; P1143-I1145 PolarHBondContact O-N 3.46Å; I1145-S1147 PolarHBondContact O-N 2.69Å; I1145-S1147 VanDerWaalsContact O-N 3.07Å
1146T22.9Very low22.1Very low121 Ų121148.7 Ų148.774%0.74282%0.824SS**  trans-58.7113.1172.342.10000108.4L1144 R1148L1144-T1146 VanDerWaalsContact C-N 3.32Å; L1144-T1146 PolarHBondContact O-N 2.99Å; L1144-T1146 VanDerWaalsContact O-N 3.11Å; T1146-R1148 PolarHBondContact O-N 3.41Å
1147S21.4Very low22.2Very low108 Ų108145.8 Ų145.876%0.75582%0.822SS**  trans-55.1103178.4-178.70000109.7I1145 K1149I1145-S1147 PolarHBondContact O-N 2.69Å; I1145-S1147 VanDerWaalsContact O-N 3.07Å; S1147-K1149 PolarHBondContact O-N 3.04Å
1148R21.7Very low22.3Very low234 Ų234138.5 Ų138.588%0.88381%0.814SS**  trans-69.296.1174.5-151.3176-168.6175.52.2106.4T1146 Q1150T1146-R1148 PolarHBondContact O-N 3.41Å; R1148-Q1150 PolarHBondContact O-N 2.95Å
1149K21.7Very low22.2Very low196 Ų196142.1 Ų142.185%0.85282%0.818SS**  trans-50.8110.5169.5-80.4-178.9175.2177.70108S1147 S1151S1147-K1149 PolarHBondContact O-N 3.04Å; K1149-S1151 PolarHBondContact O-N 3.31Å
1150Q21.3Very low22.3Very low194 Ų194140 Ų14091%0.90781%0.813SS**  trans-66.196.9-179.8-71.3169.6-2200108.7R1148R1148-Q1150 PolarHBondContact O-N 2.95Å
1151S21.5Very low22.3Very low105 Ų105144.9 Ų144.973%0.73482%0.821SS**  trans-83.4112.3164.1175.50000107.8K1149 V1153K1149-S1151 PolarHBondContact O-N 3.31Å; S1151-V1153 PolarHBondContact O-N 3.41Å; S1151-V1153 VanDerWaalsContact O-N 3.15Å
1152I19.2Very low22.4Very low165 Ų165145.4 Ų145.485%0.84681%0.808SS**  trans-54.7108.6171.8-63.6161000108.9
1153V22.7Very low22.6Very low129 Ų129142.1 Ų142.178%0.78280%0.803SS**  trans-135.3125.3158.8-179.70000107.4S1151S1151-V1153 PolarHBondContact O-N 3.41Å; S1151-V1153 VanDerWaalsContact O-N 3.15Å
1154A21.1Very low22.9Very low86 Ų86142.1 Ų142.171%0.71180%0.796SS**  trans-50.7144.3-17300000114.2V1156A1154-V1156 PolarHBondContact O-N 3.07Å
1155G18.3Very low23.4Very low81 Ų81144 Ų14484%0.83579%0.793SS**  trans-62.2124.3165.300000110.4
1156V23.5Very low23.8Very low135 Ų135142.5 Ų142.582%0.81878%0.782SS**  trans-114128.8152.4176.50000106.1A1154A1154-V1156 PolarHBondContact O-N 3.07Å
1157T23.5Very low24.6Very low130 Ų130140 Ų14080%0.79877%0.767SS**  trans-43148.1-179.844.30000114.8
1158A22.2Very low25.7Very low89 Ų89139.4 Ų139.474%0.73676%0.756SS**  trans-53.4167.6163.900000112.2
1159E24.3Very low26.9Very low194 Ų194131.3 Ų131.391%0.90773%0.734SS**  trans9977.3176.3-55.2177.5-165.900115.5
1160A25.1Very low28.4Very low91 Ų91127.7 Ų127.775%0.75272%0.716SS**  175.7113.4129.100000107.1N1162A1160-N1162 PolarHBondContact O-N 2.94Å
1161E25.5Very low30.7Very low194 Ų194120.4 Ų120.491%0.90769%0.686SS**  trans-62.579.1176.7-64171.7159.700110.1E1163E1161-E1163 PolarHBondContact O-N 3.32Å
1162N24.5Very low33.6Very low125 Ų125118.5 Ų118.567%0.66867%0.667SS**  trans-97.983.6170.9-138.14.5000107A1160 N1164A1160-N1162 PolarHBondContact O-N 2.94Å; N1162-N1164 PolarHBondContact O-N 3.42Å
1163E26.8Very low36.8Very low161 Ų161115.6 Ų115.675%0.75265%0.646SS**G310 helixtrans-58.70.8-178.2-68.5-169.9141.100114.6E1161 Y1165E1161-E1163 PolarHBondContact O-N 3.32Å; E1163-Y1165 VanDerWaalsContact C-N 3.28Å; E1163-Y1165 PolarHBondContact O-N 3Å
1164N29.7Very low39.8Very low115 Ų115109.6 Ų109.662%0.61561%0.61SS**G310 helixtrans-82.24.9-171.1-142.713.3000115.3N1162 T1167N1162-N1164 PolarHBondContact O-N 3.42Å; N1164-T1167 PolarHBondContact O-OG1 3.27Å
1165Y31.4Very low43Very low208 Ų208107.6 Ų107.682%0.81658%0.584SS**G310 helixtrans-91.7-8.2173.4-80.2-79.1000114E1163E1163-Y1165 VanDerWaalsContact C-N 3.28Å; E1163-Y1165 PolarHBondContact O-N 3Å
1166Q32Very low46.3Very low132 Ų132108 Ų10862%0.61756%0.56SS**SBendtrans-83.6-17.3-178.7-72-176.43.800114D1168 S1169Q1166-D1168 PolarHBondContact O-N 3.4Å; Q1166-S1169 PolarHBondContact O-N 3.38Å
1167T39.4Very low49.5Very low69 Ų69101.9 Ų101.942%0.42352%0.522SS..G310 helixtrans-67.4-32.2-174.717.80000113.6N1164 S1169 R1170N1164-T1167 PolarHBondContact O-OG1 3.27Å; T1167-S1169 VanDerWaalsContact C-N 3.27Å; T1167-S1169 PolarHBondContact O-N 3.43Å; T1167-R1170 WeakPolarHBondContact O-CB 3.19Å; T1167-R1170 PolarHBondContact O-N 3.25Å; T1167-R1170 VanDerWaalsContact O-N 3.17Å
1168D43.8Very low52.7Low95 Ų9596.2 Ų96.251%0.50849%0.487SS..G310 helixtrans-74.9-15.3178.7-91.4-11.3000114R728 Q1166 R1170R728-D1168 IonicContact CZ-OD1 2.71Å; R728-D1168 IonicContact NH2-OD1 3.39Å; R728-D1168 PolarHBondContact NH2-OD1 2.94Å; Q1166-D1168 PolarHBondContact O-N 3.4Å; D1168-R1170 VanDerWaalsContact C-N 3.27Å
1169S47.6Very low56Low63 Ų6392.7 Ų92.744%0.44146%0.455SS..G310 helixtrans-80.2-9.5171.8-57.80000112.7Q1166 T1167 S1171Q1166-S1169 PolarHBondContact O-N 3.38Å; T1167-S1169 VanDerWaalsContact C-N 3.27Å; T1167-S1169 PolarHBondContact O-N 3.43Å; S1169-S1171 PolarHBondContact O-N 3.08Å
1170R53.8Low59.2Low121 Ų12184.4 Ų84.446%0.45742%0.417SS..THydrogen-bonded Turntrans-86.312.9-168.5-73.3-176.9170.9-173.1-3.5116.1D732 T1167 D1168D732-R1170 IonicContact OD2-NH1 3.33Å; D732-R1170 PolarHBondContact OD2-NH1 3.12Å; T1167-R1170 WeakPolarHBondContact O-CB 3.19Å; T1167-R1170 PolarHBondContact O-N 3.25Å; T1167-R1170 VanDerWaalsContact O-N 3.17Å; D1168-R1170 VanDerWaalsContact C-N 3.27Å
1171S69.2Low62.4Low41 Ų4180 Ų8029%0.28738%0.381SS..THydrogen-bonded Turntrans-154.527.8177.4610000116.2S1169 W1173 S1174 R1175 D1340S1169-S1171 PolarHBondContact O-N 3.08Å; S1171-W1173 PolarHBondContact O-N 3.2Å; S1171-S1174 PolarHBondContact O-N 3.15Å; S1171-R1175 WeakPolarHBondContact O-CB 3.38Å; S1171-R1175 PolarHBondContact O-N 3.13Å; S1171-D1340 VanDerWaalsContact CA-CG 3.44Å; S1171-D1340 WeakPolarHBondContact CA-OD1 3.36Å; S1171-D1340 WeakPolarHBondContact CA-OD2 3.44Å
1172L81.3Confident65.5Low65 Ų6571 Ų7134%0.3434%0.34SS..Hα-helixtrans-59.9-42.9-171.3-66.7174.7000113.3R1176 D1340L1172-R1176 WeakPolarHBondContact O-CB 3.45Å; L1172-R1176 PolarHBondContact O-N 3.46Å; L1172-D1340 PolarHBondContact N-OD1 2.94Å
1173W86.9Confident68.7Low103 Ų10365.2 Ų65.239%0.3931%0.309SS..Hα-helixtrans-80.5-35.7-176-69.6105.2000112.1S1171 R1175 R1176 R1177 Y1339 D1340 P1342 P1343S1171-W1173 PolarHBondContact O-N 3.2Å; W1173-R1175 VanDerWaalsContact C-N 3.27Å; W1173-R1175 PolarHBondContact O-N 3.32Å; W1173-R1176 HydrophobicContact CE3-CB 4.43Å; W1173-R1176 PolarHBondContact O-N 3.3Å; W1173-R1177 WeakPolarHBondContact O-CG 3.36Å; W1173-R1177 PolarHBondContact O-N 3.18Å; W1173-Y1339 CarbonylContact C-O 3.02Å; W1173-D1340 PolarHBondContact N-OD1 2.65Å; W1173-P1342 HydrophobicContact CD2-CB 4.22Å; W1173-P1342 HydrophobicContact CG-CB 4.4Å; W1173-P1342 HydrophobicContact CZ2-CB 4.01Å; W1173-P1343 HydrophobicContact CE3-CG 4.16Å; W1173-P1343 HydrophobicContact CH2-CG 4.17Å; W1173-P1343 HydrophobicContact CZ3-CG 3.76Å
1174S86.6Confident71.8Confident4 Ų457.7 Ų57.73%0.02827%0.274CS..Hα-helixtrans-60.2-43.8172.3-179.50000110.1S1171 R1177 K1178 Q1336 Y1339 D1340S1171-S1174 PolarHBondContact O-N 3.15Å; S1174-R1177 PolarHBondContact O-N 2.88Å; S1174-K1178 WeakPolarHBondContact O-CG 3.44Å; S1174-K1178 PolarHBondContact O-N 2.97Å; S1174-Q1336 PolarHBondContact OG-NE2 3.08Å; S1174-Y1339 WeakPolarHBondContact CA-O 3.47Å; S1174-Y1339 PolarHBondContact N-O 3.27Å; S1174-D1340 PolarHBondContact N-OD1 3.37Å; S1174-D1340 VanDerWaalsContact N-OD1 3.14Å
1175R86.9Confident74.8Confident43 Ų4354.2 Ų54.216%0.16225%0.252CS..Hα-helixtrans-61.4-46.7173.8179.5178.3174.6-143.6-0.3112.2E1053 D1089 S1171 W1173 R1177 K1178 I1179E1053-R1175 IonicContact OE1-NE 3.81Å; E1053-R1175 PolarHBondContact OE1-NE 3.41Å; E1053-R1175 IonicContact OE2-CZ 3.72Å; E1053-R1175 IonicContact OE2-NE 2.67Å; E1053-R1175 PolarHBondContact OE2-NE 3.03Å; E1053-R1175 IonicContact OE2-NH2 3.64Å; E1053-R1175 PolarHBondContact OE2-NH2 2.81Å; D1089-R1175 IonicContact OD1-CZ 2.72Å; D1089-R1175 IonicContact OD1-NH1 3.85Å; D1089-R1175 PolarHBondContact OD1-NH1 2.6Å; S1171-R1175 WeakPolarHBondContact O-CB 3.38Å; S1171-R1175 PolarHBondContact O-N 3.13Å; W1173-R1175 VanDerWaalsContact C-N 3.27Å; W1173-R1175 PolarHBondContact O-N 3.32Å; R1175-R1177 VanDerWaalsContact C-N 3.33Å; R1175-R1177 PolarHBondContact O-N 3.33Å; R1175-K1178 WeakPolarHBondContact O-CB 3.2Å; R1175-K1178 PolarHBondContact O-N 2.67Å; R1175-K1178 VanDerWaalsContact O-N 3.16Å; R1175-I1179 HydrophobicContact CG-CD1 4.21Å; R1175-I1179 WeakPolarHBondContact O-CG1 3.46Å; R1175-I1179 PolarHBondContact O-N 2.86Å
1176R89Confident77.8Confident91 Ų9144.6 Ų44.634%0.34322%0.215SC..Hα-helixtrans-58.1-45.2178.1-178.362.3-174-137.93111.7G1087 L1172 W1173 K1178 I1179 D1180G1087-R1176 PolarHBondContact O-NH1 3.29Å; L1172-R1176 WeakPolarHBondContact O-CB 3.45Å; L1172-R1176 PolarHBondContact O-N 3.46Å; W1173-R1176 HydrophobicContact CE3-CB 4.43Å; W1173-R1176 PolarHBondContact O-N 3.3Å; R1176-K1178 VanDerWaalsContact C-N 3.34Å; R1176-K1178 PolarHBondContact O-N 3.44Å; R1176-I1179 PolarHBondContact O-N 3.02Å; R1176-D1180 IonicContact CZ-OD1 2.81Å; R1176-D1180 IonicContact CZ-OD2 3.55Å; R1176-D1180 IonicContact NE-OD1 3.1Å; R1176-D1180 PolarHBondContact NE-OD1 3.4Å; R1176-D1180 IonicContact NE-OD2 2.9Å; R1176-D1180 PolarHBondContact NE-OD2 3Å; R1176-D1180 IonicContact NH2-OD1 3.55Å; R1176-D1180 IonicContact NH2-OD2 3.5Å; R1176-D1180 PolarHBondContact O-N 3.24Å
1177R91Very high80.7Confident5 Ų539.6 Ų39.62%0.01919%0.194CC..Hα-helixtrans-62.2-38.5175.6-72.6-173176.71070.4113W1173 S1174 R1175 G1181 E1241 Q1244 E1248 Y1339 T1341 T1349W1173-R1177 WeakPolarHBondContact O-CG 3.36Å; W1173-R1177 PolarHBondContact O-N 3.18Å; S1174-R1177 PolarHBondContact O-N 2.88Å; R1175-R1177 VanDerWaalsContact C-N 3.33Å; R1175-R1177 PolarHBondContact O-N 3.33Å; R1177-G1181 WeakPolarHBondContact O-CA 3.46Å; R1177-G1181 PolarHBondContact O-N 3.42Å; R1177-E1241 HydrophobicContact CB-CB 4.31Å; R1177-Q1244 HydrophobicContact CB-CB 3.99Å; R1177-Q1244 HydrophobicContact CB-CG 4.04Å; R1177-Q1244 HydrophobicContact CG-CB 4.22Å; R1177-Q1244 HydrophobicContact CG-CG 3.86Å; R1177-E1248 IonicContact CZ-OE1 2.7Å; R1177-E1248 IonicContact CZ-OE2 3.85Å; R1177-E1248 IonicContact NE-OE1 3.42Å; R1177-E1248 PolarHBondContact NE-OE1 3.36Å; R1177-E1248 IonicContact NE-OE2 3.84Å; R1177-E1248 PolarHBondContact NE-OE2 3.48Å; R1177-E1248 IonicContact NH2-OE1 2.67Å; R1177-E1248 IonicContact NH2-OE2 3.77Å; R1177-E1248 PolarHBondContact NH2-OE2 3.49Å; R1177-Y1339 PolarHBondContact NH1-O 3.41Å; R1177-T1341 PolarHBondContact NH1-O 2.85Å; R1177-T1341 PolarHBondContact NH2-O 2.99Å; R1177-T1349 PolarHBondContact NH2-OG1 3.49Å
1178K90.6Very high83.1Confident12 Ų1240.3 Ų40.35%0.05220%0.2CC..Hα-helixtrans-60.7-45.7172.6-71.3-176.4-169.7-1170111.6D724 N727 M1049 S1174 R1175 R1176 A1182 P1240 E1241D724-K1178 PolarHBondContact O-NZ 3.45Å; N727-K1178 PolarHBondContact ND2-NZ 3.04Å; M1049-K1178 HydrophobicContact CE-CB 3.79Å; S1174-K1178 WeakPolarHBondContact O-CG 3.44Å; S1174-K1178 PolarHBondContact O-N 2.97Å; R1175-K1178 WeakPolarHBondContact O-CB 3.2Å; R1175-K1178 PolarHBondContact O-N 2.67Å; R1175-K1178 VanDerWaalsContact O-N 3.16Å; R1176-K1178 VanDerWaalsContact C-N 3.34Å; R1176-K1178 PolarHBondContact O-N 3.44Å; K1178-A1182 WeakPolarHBondContact O-CB 3.26Å; K1178-A1182 PolarHBondContact O-N 3.44Å; K1178-P1240 WeakPolarHBondContact O-CB 3.34Å; K1178-E1241 WeakPolarHBondContact CE-OE1 3.43Å; K1178-E1241 HydrophobicContact CG-CB 3.72Å; K1178-E1241 HydrophobicContact CG-CG 4.21Å; K1178-E1241 IonicContact NZ-OE1 3.43Å; K1178-E1241 PolarHBondContact NZ-OE1 2.93Å
1179I90.4Very high85.3Confident15 Ų1537.6 Ų37.68%0.07720%0.195CC..Hα-helixtrans-64.4-56.1179.9-64.7171.2000110.5M1049 L1084 R1175 R1176 G1181 A1182 L1183M1049-I1179 HydrophobicContact CE-CB 4.16Å; M1049-I1179 HydrophobicContact CE-CD1 4.22Å; M1049-I1179 HydrophobicContact CE-CG1 3.17Å; M1049-I1179 HydrophobicContact CG-CG1 4.44Å; L1084-I1179 HydrophobicContact CG-CG2 4.43Å; R1175-I1179 HydrophobicContact CG-CD1 4.21Å; R1175-I1179 WeakPolarHBondContact O-CG1 3.46Å; R1175-I1179 PolarHBondContact O-N 2.86Å; R1176-I1179 PolarHBondContact O-N 3.02Å; I1179-G1181 VanDerWaalsContact C-N 3.28Å; I1179-G1181 PolarHBondContact O-N 2.82Å; I1179-A1182 PolarHBondContact O-N 3.38Å; I1179-A1182 VanDerWaalsContact O-N 3.12Å; I1179-L1183 HydrophobicContact CG2-CD1 3.82Å; I1179-L1183 HydrophobicContact CG2-CG 4.35Å; I1179-L1183 WeakPolarHBondContact O-CB 3.44Å; I1179-L1183 WeakPolarHBondContact O-CG 3.47Å; I1179-L1183 PolarHBondContact O-N 3.19Å
1180D91.5Very high87.5Confident19 Ų1934.7 Ų34.710%0.10217%0.174CC..Hα-helixtrans-62.9-40.2-177.2-73.9-25.2000110.9R1176 L1183 N1184 R1185R1176-D1180 IonicContact CZ-OD1 2.81Å; R1176-D1180 IonicContact CZ-OD2 3.55Å; R1176-D1180 IonicContact NE-OD1 3.1Å; R1176-D1180 PolarHBondContact NE-OD1 3.4Å; R1176-D1180 IonicContact NE-OD2 2.9Å; R1176-D1180 PolarHBondContact NE-OD2 3Å; R1176-D1180 IonicContact NH2-OD1 3.55Å; R1176-D1180 IonicContact NH2-OD2 3.5Å; R1176-D1180 PolarHBondContact O-N 3.24Å; D1180-L1183 PolarHBondContact O-N 2.61Å; D1180-N1184 PolarHBondContact O-N 3.46Å; D1180-N1184 VanDerWaalsContact O-N 3.16Å; D1180-R1185 HydrophobicContact CB-CB 4.31Å; D1180-R1185 PolarHBondContact O-N 3.24Å; D1180-R1185 IonicContact OD1-NE 3.66Å
1181G92.1Very high89.5Confident0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-54.9-57.8169.200000110.8R1177 I1179 L1183 N1184 P1240 R1243R1177-G1181 WeakPolarHBondContact O-CA 3.46Å; R1177-G1181 PolarHBondContact O-N 3.42Å; I1179-G1181 VanDerWaalsContact C-N 3.28Å; I1179-G1181 PolarHBondContact O-N 2.82Å; G1181-L1183 PolarHBondContact O-N 3.19Å; G1181-N1184 PolarHBondContact O-N 2.95Å; G1181-P1240 WeakPolarHBondContact CA-O 3.49Å; G1181-R1243 PolarHBondContact O-NE 3.31Å; G1181-R1243 PolarHBondContact O-NH2 2.95Å
1182A91.4Very high90.6Very high5 Ų534 Ų344%0.04117%0.169CC..Hα-helixtrans-61.9-32.8-175.200000112.8L1045 K1178 I1179 N1184 P1240L1045-A1182 HydrophobicContact CB-CB 4.45Å; K1178-A1182 WeakPolarHBondContact O-CB 3.26Å; K1178-A1182 PolarHBondContact O-N 3.44Å; I1179-A1182 PolarHBondContact O-N 3.38Å; I1179-A1182 VanDerWaalsContact O-N 3.12Å; A1182-N1184 VanDerWaalsContact C-N 3.28Å; A1182-N1184 PolarHBondContact O-N 2.91Å; A1182-P1240 HydrophobicContact CB-CB 4.19Å; A1182-P1240 HydrophobicContact CB-CG 4.29Å
1183L92.2Very high91.2Very high3 Ų334.2 Ų34.22%0.01617%0.165CC..THydrogen-bonded Turntrans-77.2-6.7174.8-73.1179.9000114.5I1038 I1046 L1084 L1085 I1179 D1180 G1181 R1185I1038-L1183 HydrophobicContact CD1-CB 4.14Å; I1038-L1183 VanDerWaalsContact CG2-O 3.26Å; I1038-L1183 WeakPolarHBondContact CG2-O 3.39Å; I1046-L1183 HydrophobicContact CD1-CD2 4.26Å; I1046-L1183 HydrophobicContact CG1-CD2 3.95Å; L1084-L1183 HydrophobicContact CD2-CD1 3.94Å; L1084-L1183 HydrophobicContact CD2-CD2 3.56Å; L1084-L1183 HydrophobicContact CD2-CG 3.91Å; L1085-L1183 HydrophobicContact CD2-CD1 4.39Å; L1085-L1183 HydrophobicContact CD2-CD2 3.81Å; I1179-L1183 HydrophobicContact CG2-CD1 3.82Å; I1179-L1183 HydrophobicContact CG2-CG 4.35Å; I1179-L1183 WeakPolarHBondContact O-CB 3.44Å; I1179-L1183 WeakPolarHBondContact O-CG 3.47Å; I1179-L1183 PolarHBondContact O-N 3.19Å; D1180-L1183 PolarHBondContact O-N 2.61Å; G1181-L1183 PolarHBondContact O-N 3.19Å; L1183-R1185 VanDerWaalsContact C-N 3.27Å; L1183-R1185 HydrophobicContact CB-CB 4.49Å; L1183-R1185 PolarHBondContact O-N 2.99Å
1184N92Very high91.6Very high3 Ų329.5 Ų29.52%0.01615%0.148CC..THydrogen-bonded Turntrans5541-170.3-74-18.9000112.9R1040 R1042 D1180 G1181 A1182 A1186 E1231 T1235 R1243R1040-N1184 PolarHBondContact O-ND2 3.06Å; R1040-N1184 VanDerWaalsContact O-ND2 3.08Å; R1042-N1184 WeakPolarHBondContact CD-ND2 3.44Å; D1180-N1184 PolarHBondContact O-N 3.46Å; D1180-N1184 VanDerWaalsContact O-N 3.16Å; G1181-N1184 PolarHBondContact O-N 2.95Å; A1182-N1184 VanDerWaalsContact C-N 3.28Å; A1182-N1184 PolarHBondContact O-N 2.91Å; N1184-A1186 PolarHBondContact O-N 3.18Å; N1184-E1231 VanDerWaalsContact CB-OE1 3.31Å; N1184-E1231 WeakPolarHBondContact CB-OE1 3.46Å; N1184-E1231 PolarHBondContact ND2-OE1 3.01Å; N1184-T1235 WeakPolarHBondContact ND2-CG2 3.46Å; N1184-R1243 PolarHBondContact OD1-NH1 3.19Å
1185R92.9Very high92Very high41 Ų4130.5 Ų30.516%0.15515%0.151CC..BIsolated β-bridgetrans-86.6112.3-179.5-167.7-176.8-64.8-83.37.7110.2K1034 E1036 I1038 L1085 D1180 L1183K1034-R1185 PolarHBondContact O-NH1 3.1Å; K1034-R1185 VanDerWaalsContact O-NH1 3.14Å; K1034-R1185 PolarHBondContact O-NH2 3.16Å; E1036-R1185 PolarHBondContact O-NH1 2.78Å; I1038-R1185 HydrophobicContact CG1-CB 4.06Å; I1038-R1185 HydrophobicContact CG1-CG 4.2Å; L1085-R1185 PolarHBondContact O-NH2 3.41Å; D1180-R1185 HydrophobicContact CB-CB 4.31Å; D1180-R1185 PolarHBondContact O-N 3.24Å; D1180-R1185 IonicContact OD1-NE 3.66Å; L1183-R1185 VanDerWaalsContact C-N 3.27Å; L1183-R1185 HydrophobicContact CB-CB 4.49Å; L1183-R1185 PolarHBondContact O-N 2.99Å
1186A93.3Very high92.3Very high6 Ų630.2 Ų30.25%0.0515%0.152CC..PPolyproline II helixtrans-89.5156.517400000111.7N1037 N1184 F1190 Y1191N1037-A1186 WeakPolarHBondContact CB-O 3.44Å; N1037-A1186 PolarHBondContact O-N 3.48Å; N1184-A1186 PolarHBondContact O-N 3.18Å; A1186-F1190 HydrophobicContact CB-CB 3.95Å; A1186-F1190 HydrophobicContact CB-CD1 3.87Å; A1186-F1190 HydrophobicContact CB-CG 4.04Å; A1186-Y1191 HydrophobicContact CB-CE2 4.47Å
1187P92Very high92.5Very high27 Ų2725.9 Ų25.918%0.17514%0.136CC..PPolyproline II helixtrans-62152.3168.7-24.633.9000112.7G1189 F1190 I1247 H1251P1187-G1189 PolarHBondContact O-N 2.75Å; P1187-F1190 WeakPolarHBondContact O-CB 3.48Å; P1187-F1190 PolarHBondContact O-N 2.73Å; P1187-I1247 HydrophobicContact CG-CG2 4.06Å; P1187-H1251 WeakPolarHBondContact CB-CE1 3.03Å
1188P89.9Confident92.6Very high85 Ų8525.6 Ų25.655%0.55214%0.135SC*.THydrogen-bonded Turntrans-55.9131.7175.3-25.634.4000112.7F1190P1188-F1190 PolarHBondContact O-N 3.02Å
1189G90.2Very high92.6Very high38 Ų3828.1 Ų28.139%0.39215%0.151SC..THydrogen-bonded Turntrans71.59.5-178.900000115.1P1187 Y1191 K1192 R1193P1187-G1189 PolarHBondContact O-N 2.75Å; G1189-Y1191 PolarHBondContact O-N 3.01Å; G1189-K1192 PolarHBondContact O-N 2.92Å; G1189-R1193 WeakPolarHBondContact O-CG 3.39Å; G1189-R1193 PolarHBondContact O-N 3.29Å; G1189-R1193 VanDerWaalsContact O-N 3.16Å
1190F95.3Very high92.5Very high2 Ų227.9 Ų27.91%0.00915%0.15CC..Hα-helixtrans-49.1-53.5-178.7172.8-105.8000113.1A1186 P1187 P1188 K1192 R1193 V1194 V1230 I1247 I1250 H1251A1186-F1190 HydrophobicContact CB-CB 3.95Å; A1186-F1190 HydrophobicContact CB-CD1 3.87Å; A1186-F1190 HydrophobicContact CB-CG 4.04Å; P1187-F1190 WeakPolarHBondContact O-CB 3.48Å; P1187-F1190 PolarHBondContact O-N 2.73Å; P1188-F1190 PolarHBondContact O-N 3.02Å; F1190-K1192 PolarHBondContact O-N 2.9Å; F1190-R1193 WeakPolarHBondContact O-CA 3.23Å; F1190-R1193 WeakPolarHBondContact O-CB 3.48Å; F1190-R1193 PolarHBondContact O-N 3.41Å; F1190-V1194 HydrophobicContact CD1-CG2 4.39Å; F1190-V1194 HydrophobicContact CD2-CG2 4.42Å; F1190-V1194 HydrophobicContact CE1-CG2 4.02Å; F1190-V1194 HydrophobicContact CE2-CG2 4.05Å; F1190-V1194 HydrophobicContact CZ-CG2 3.84Å; F1190-V1194 WeakPolarHBondContact O-CG2 3.36Å; F1190-V1194 PolarHBondContact O-N 2.95Å; F1190-V1230 HydrophobicContact CE1-CG1 3.9Å; F1190-I1247 HydrophobicContact CD2-CG2 4.08Å; F1190-I1247 HydrophobicContact CE2-CB 4.41Å; F1190-I1247 HydrophobicContact CE2-CG2 3.82Å; F1190-I1247 HydrophobicContact CZ-CG1 4.3Å; F1190-I1247 HydrophobicContact CZ-CG2 4.2Å; F1190-I1250 HydrophobicContact CE2-CB 3.95Å; F1190-I1250 HydrophobicContact CE2-CG2 3.67Å; F1190-I1250 HydrophobicContact CZ-CB 4.34Å; F1190-I1250 HydrophobicContact CZ-CD1 4.44Å; F1190-I1250 HydrophobicContact CZ-CG2 3.96Å; F1190-H1251 HydrophobicContact CD2-CB 4.38Å
1191Y95.1Very high92.4Very high30 Ų3027.1 Ų27.112%0.11815%0.145CC..Hα-helixtrans-61.7-40.6-177.1-53.1-74.2000112.9L1039 A1186 G1189 R1193 V1194 Y1195 F1226 A1227 V1230 E1231L1039-Y1191 HydrophobicContact CD1-CD2 4.28Å; L1039-Y1191 HydrophobicContact CD1-CE1 4.05Å; L1039-Y1191 HydrophobicContact CD1-CE2 3.51Å; L1039-Y1191 WeakPolarHBondContact CD1-OH 3.21Å; L1039-Y1191 HydrophobicContact CG-CE2 3.88Å; L1039-Y1191 WeakPolarHBondContact CG-OH 3.07Å; A1186-Y1191 HydrophobicContact CB-CE2 4.47Å; G1189-Y1191 PolarHBondContact O-N 3.01Å; Y1191-R1193 VanDerWaalsContact C-N 3.27Å; Y1191-R1193 PolarHBondContact O-N 2.88Å; Y1191-V1194 PolarHBondContact O-N 2.83Å; Y1191-V1194 VanDerWaalsContact O-N 3.13Å; Y1191-Y1195 PolarHBondContact O-N 3.09Å; Y1191-F1226 WeakPolarHBondContact O-CE1 3.31Å; Y1191-A1227 HydrophobicContact CD1-CB 3.85Å; Y1191-A1227 HydrophobicContact CD2-CB 3.99Å; Y1191-A1227 HydrophobicContact CE1-CB 4.38Å; Y1191-A1227 WeakPolarHBondContact CE1-O 3.27Å; Y1191-A1227 HydrophobicContact CG-CB 3.63Å; Y1191-V1230 HydrophobicContact CD1-CB 3.95Å; Y1191-V1230 HydrophobicContact CD1-CG1 3.91Å; Y1191-V1230 HydrophobicContact CE1-CB 4.33Å; Y1191-V1230 HydrophobicContact CE1-CG1 4.2Å; Y1191-E1231 HydrophobicContact CE1-CB 4.18Å; Y1191-E1231 PolarHBondContact OH-OE2 3.31Å
1192K92.7Very high92.2Very high118 Ų11831.1 Ų31.151%0.51316%0.164SC..Hα-helixtrans-61.3-37.7175.4-65.9-177.5179.41740111.6G1189 F1190 Y1195 I1196 M1221G1189-K1192 PolarHBondContact O-N 2.92Å; F1190-K1192 PolarHBondContact O-N 2.9Å; K1192-Y1195 WeakPolarHBondContact O-CB 3.41Å; K1192-Y1195 PolarHBondContact O-N 3.37Å; K1192-I1196 PolarHBondContact O-N 3.41Å; K1192-I1196 VanDerWaalsContact O-N 3.17Å; K1192-M1221 HydrophobicContact CB-CG 4.09Å; K1192-M1221 HydrophobicContact CB-SD 4.05Å; K1192-M1221 HydrophobicContact CG-CG 4.06Å; K1192-M1221 HydrophobicContact CG-SD 4.37Å
1193R93.3Very high92.3Very high69 Ų6930.9 Ų30.926%0.2616%0.162SC..Hα-helixtrans-66.8-41.1174.7-61.9-174.1-163.7-177.713.3111.5G1189 F1190 Y1191 Y1195 I1196 T1197 H1251 S1255 M1258G1189-R1193 WeakPolarHBondContact O-CG 3.39Å; G1189-R1193 PolarHBondContact O-N 3.29Å; G1189-R1193 VanDerWaalsContact O-N 3.16Å; F1190-R1193 WeakPolarHBondContact O-CA 3.23Å; F1190-R1193 WeakPolarHBondContact O-CB 3.48Å; F1190-R1193 PolarHBondContact O-N 3.41Å; Y1191-R1193 VanDerWaalsContact C-N 3.27Å; Y1191-R1193 PolarHBondContact O-N 2.88Å; R1193-Y1195 VanDerWaalsContact C-N 3.3Å; R1193-Y1195 PolarHBondContact O-N 3Å; R1193-I1196 PolarHBondContact O-N 3.47Å; R1193-T1197 PolarHBondContact O-N 3.23Å; R1193-T1197 PolarHBondContact O-OG1 3.01Å; R1193-H1251 PolarHBondContact NH1-CE1 3.05Å; R1193-H1251 PolarHBondContact NH1-NE2 3.4Å; R1193-S1255 PolarHBondContact NH1-OG 2.95Å; R1193-M1258 HydrophobicContact CB-CG 4.44Å; R1193-M1258 HydrophobicContact CG-CG 3.92Å; R1193-M1258 HydrophobicContact CG-SD 4.14Å
1194V95.8Very high92.5Very high3 Ų330.7 Ų30.72%0.01816%0.161CC..Hα-helixtrans-59.6-42.5175179.60000111.2F1190 Y1191 I1196 T1197 L1198 L1204 L1211 F1226 V1230 I1250F1190-V1194 HydrophobicContact CD1-CG2 4.39Å; F1190-V1194 HydrophobicContact CD2-CG2 4.42Å; F1190-V1194 HydrophobicContact CE1-CG2 4.02Å; F1190-V1194 HydrophobicContact CE2-CG2 4.05Å; F1190-V1194 HydrophobicContact CZ-CG2 3.84Å; F1190-V1194 WeakPolarHBondContact O-CG2 3.36Å; F1190-V1194 PolarHBondContact O-N 2.95Å; Y1191-V1194 PolarHBondContact O-N 2.83Å; Y1191-V1194 VanDerWaalsContact O-N 3.13Å; V1194-I1196 VanDerWaalsContact C-N 3.34Å; V1194-I1196 PolarHBondContact O-N 3.47Å; V1194-T1197 WeakPolarHBondContact O-CB 3.38Å; V1194-T1197 PolarHBondContact O-N 3.48Å; V1194-L1198 HydrophobicContact CG1-CD1 4.23Å; V1194-L1198 HydrophobicContact CG1-CG 4.4Å; V1194-L1198 WeakPolarHBondContact O-CG 3.48Å; V1194-L1198 PolarHBondContact O-N 3.13Å; V1194-L1204 HydrophobicContact CG1-CD1 4.32Å; V1194-L1211 HydrophobicContact CG1-CD1 4.32Å; V1194-F1226 HydrophobicContact CB-CZ 4.46Å; V1194-F1226 HydrophobicContact CG1-CZ 4.17Å; V1194-V1230 HydrophobicContact CB-CG1 4.4Å; V1194-V1230 HydrophobicContact CB-CG2 4.42Å; V1194-V1230 HydrophobicContact CG1-CG1 4.11Å; V1194-V1230 HydrophobicContact CG1-CG2 3.81Å; V1194-V1230 HydrophobicContact CG2-CG1 4.12Å; V1194-I1250 HydrophobicContact CG2-CG2 3.57Å
1195Y94.8Very high92.6Very high26 Ų2631.4 Ų31.410%0.10217%0.167CC..Hα-helixtrans-56.2-50175.8-174.7-84.1000111.3Y1191 K1192 R1193 L1198 T1199 T1216 M1219 T1220 M1221 F1226Y1191-Y1195 PolarHBondContact O-N 3.09Å; K1192-Y1195 WeakPolarHBondContact O-CB 3.41Å; K1192-Y1195 PolarHBondContact O-N 3.37Å; R1193-Y1195 VanDerWaalsContact C-N 3.3Å; R1193-Y1195 PolarHBondContact O-N 3Å; Y1195-L1198 PolarHBondContact O-N 3.4Å; Y1195-T1199 HydrophobicContact CD1-CG2 4.35Å; Y1195-T1199 HydrophobicContact CE1-CG2 4.07Å; Y1195-T1199 PolarHBondContact O-N 2.87Å; Y1195-T1216 HydrophobicContact CD2-CG2 4.18Å; Y1195-T1216 HydrophobicContact CE1-CG2 4.48Å; Y1195-T1216 HydrophobicContact CE2-CG2 4.06Å; Y1195-T1216 HydrophobicContact CG-CG2 4.47Å; Y1195-T1216 PolarHBondContact OH-O 3.33Å; Y1195-M1219 WeakPolarHBondContact CE2-O 3.43Å; Y1195-M1219 PolarHBondContact OH-O 3.42Å; Y1195-T1220 VanDerWaalsContact CE2-C 3.49Å; Y1195-M1221 HydrophobicContact CD1-CB 3.59Å; Y1195-M1221 HydrophobicContact CD1-CG 3.83Å; Y1195-M1221 HydrophobicContact CD1-SD 4.38Å; Y1195-M1221 HydrophobicContact CD2-CB 4.06Å; Y1195-M1221 HydrophobicContact CE1-CB 3.81Å; Y1195-M1221 HydrophobicContact CE2-CB 4.23Å; Y1195-M1221 HydrophobicContact CG-CB 3.72Å; Y1195-M1221 HydrophobicContact CG-CG 3.84Å; Y1195-F1226 VanDerWaalsContact CA-CZ 3.48Å; Y1195-F1226 HydrophobicContact CD2-CD1 4.27Å; Y1195-F1226 HydrophobicContact CD2-CD2 4.07Å; Y1195-F1226 HydrophobicContact CD2-CE1 4.14Å; Y1195-F1226 AromaticContact CD2-CE2 3.92Å; Y1195-F1226 HydrophobicContact CD2-CE2 3.92Å; Y1195-F1226 HydrophobicContact CD2-CG 4.25Å; Y1195-F1226 AromaticContact CD2-CZ 3.97Å; Y1195-F1226 HydrophobicContact CD2-CZ 3.97Å; Y1195-F1226 HydrophobicContact CG-CE1 4.42Å; Y1195-F1226 HydrophobicContact CG-CZ 4.32Å
1196I92.5Very high92.6Very high36 Ų3629.8 Ų29.819%0.18516%0.161CC..Hα-helixtrans-64.7-42.5178.2-72.4167.3000110.3K1192 R1193 V1194 L1198 T1199 H1200 M1221 M1257 M1258K1192-I1196 PolarHBondContact O-N 3.41Å; K1192-I1196 VanDerWaalsContact O-N 3.17Å; R1193-I1196 PolarHBondContact O-N 3.47Å; V1194-I1196 VanDerWaalsContact C-N 3.34Å; V1194-I1196 PolarHBondContact O-N 3.47Å; I1196-L1198 VanDerWaalsContact C-N 3.26Å; I1196-L1198 PolarHBondContact O-N 3.32Å; I1196-T1199 PolarHBondContact O-N 3.47Å; I1196-T1199 PolarHBondContact O-OG1 3.28Å; I1196-H1200 PolarHBondContact O-CD2 3.13Å; I1196-H1200 VanDerWaalsContact O-CD2 3.24Å; I1196-M1221 HydrophobicContact CD1-SD 3.79Å; I1196-M1221 HydrophobicContact CG1-SD 4.14Å; I1196-M1257 HydrophobicContact CG2-CB 4.08Å; I1196-M1258 HydrophobicContact CB-SD 4.06Å; I1196-M1258 HydrophobicContact CD1-CE 3.96Å; I1196-M1258 HydrophobicContact CD1-SD 3.12Å; I1196-M1258 WeakPolarHBondContact CD1-SD 3.29Å; I1196-M1258 HydrophobicContact CG1-SD 4.12Å; I1196-M1258 HydrophobicContact CG2-CG 4.47Å; I1196-M1258 HydrophobicContact CG2-SD 4.15Å
1197T92.8Very high92.3Very high0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-52.2-47.3173.4-53.30000111.8R1193 V1194 T1199 H1200 M1201 L1204 L1253 G1254R1193-T1197 PolarHBondContact O-N 3.23Å; R1193-T1197 PolarHBondContact O-OG1 3.01Å; V1194-T1197 WeakPolarHBondContact O-CB 3.38Å; V1194-T1197 PolarHBondContact O-N 3.48Å; T1197-T1199 PolarHBondContact O-N 2.99Å; T1197-H1200 PolarHBondContact O-N 2.83Å; T1197-M1201 HydrophobicContact CG2-CE 4.24Å; T1197-M1201 HydrophobicContact CG2-CG 4.42Å; T1197-M1201 HydrophobicContact CG2-SD 3.83Å; T1197-M1201 WeakPolarHBondContact O-CG 3.49Å; T1197-M1201 PolarHBondContact O-N 3.13Å; T1197-L1204 HydrophobicContact CG2-CD1 4.03Å; T1197-L1204 HydrophobicContact CG2-CD2 4.33Å; T1197-L1204 HydrophobicContact CG2-CG 4.42Å; T1197-L1253 HydrophobicContact CG2-CD2 3.95Å; T1197-L1253 HydrophobicContact CG2-CG 4Å; T1197-G1254 WeakPolarHBondContact OG1-CA 3.4Å
1198L93.8Very high92Very high0 Ų037.4 Ų37.40%021%0.211CC..Hα-helixtrans-66.7-18.1-179.3-68.7177.5000113.9V1194 Y1195 I1196 H1200 M1201 L1204 L1211 H1213 L1215 T1216 F1226V1194-L1198 HydrophobicContact CG1-CD1 4.23Å; V1194-L1198 HydrophobicContact CG1-CG 4.4Å; V1194-L1198 WeakPolarHBondContact O-CG 3.48Å; V1194-L1198 PolarHBondContact O-N 3.13Å; Y1195-L1198 PolarHBondContact O-N 3.4Å; I1196-L1198 VanDerWaalsContact C-N 3.26Å; I1196-L1198 PolarHBondContact O-N 3.32Å; L1198-H1200 VanDerWaalsContact C-N 3.32Å; L1198-M1201 VanDerWaalsContact O-O 3.1Å; L1198-L1204 HydrophobicContact CD2-CB 4.42Å; L1198-L1204 HydrophobicContact CD2-CD1 4.2Å; L1198-L1204 HydrophobicContact CD2-CG 4.11Å; L1198-L1211 HydrophobicContact CD1-CB 4.26Å; L1198-L1211 HydrophobicContact CD2-CB 4.18Å; L1198-L1211 VanDerWaalsContact CD2-O 3.25Å; L1198-L1211 WeakPolarHBondContact CD2-O 3.42Å; L1198-H1213 WeakPolarHBondContact O-CB 3.1Å; L1198-L1215 HydrophobicContact CD1-CD1 4.45Å; L1198-T1216 HydrophobicContact CB-CG2 3.64Å; L1198-F1226 HydrophobicContact CD1-CE2 3.97Å; L1198-F1226 HydrophobicContact CD1-CZ 4.05Å
1199T90.7Very high92.2Very high64 Ų6435.9 Ų35.939%0.39320%0.198SC..Hα-helixtrans-78.2-18.8171.962.60000112.8Y1195 I1196 T1197 T1216Y1195-T1199 HydrophobicContact CD1-CG2 4.35Å; Y1195-T1199 HydrophobicContact CE1-CG2 4.07Å; Y1195-T1199 PolarHBondContact O-N 2.87Å; I1196-T1199 PolarHBondContact O-N 3.47Å; I1196-T1199 PolarHBondContact O-OG1 3.28Å; T1197-T1199 PolarHBondContact O-N 2.99Å; T1199-T1216 HydrophobicContact CG2-CG2 3.9Å
1200H87.7Confident92.3Very high11 Ų1137.4 Ų37.45%0.05120%0.2CC..SBendtrans-102.51.4-179-70-104.2000113.9I1196 T1197 L1198 M1257 D1260 N1263 I1265 F1266 I1267I1196-H1200 PolarHBondContact O-CD2 3.13Å; I1196-H1200 VanDerWaalsContact O-CD2 3.24Å; T1197-H1200 PolarHBondContact O-N 2.83Å; L1198-H1200 VanDerWaalsContact C-N 3.32Å; H1200-M1257 HydrophobicContact CB-CG 4.22Å; H1200-M1257 HydrophobicContact CB-SD 3.65Å; H1200-D1260 IonicContact CE1-OD2 3.26Å; H1200-N1263 PolarHBondContact CE1-OD1 3.17Å; H1200-N1263 PolarHBondContact NE2-OD1 3.47Å; H1200-I1265 PolarHBondContact ND1-O 3.43Å; H1200-F1266 CarbonylContact O-C 3.56Å; H1200-F1266 WeakPolarHBondContact O-CA 3.16Å; H1200-I1267 PolarHBondContact O-N 3.22Å
1201M89.3Confident92.3Very high2 Ų237.5 Ų37.51%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-149.2164.4179.364.6174.631.200113.2T1197 L1198 G1203 L1204 H1213 L1253 I1267 V1271T1197-M1201 HydrophobicContact CG2-CE 4.24Å; T1197-M1201 HydrophobicContact CG2-CG 4.42Å; T1197-M1201 HydrophobicContact CG2-SD 3.83Å; T1197-M1201 WeakPolarHBondContact O-CG 3.49Å; T1197-M1201 PolarHBondContact O-N 3.13Å; L1198-M1201 VanDerWaalsContact O-O 3.1Å; M1201-G1203 VanDerWaalsContact C-N 3.31Å; M1201-G1203 PolarHBondContact O-N 3.48Å; M1201-L1204 HydrophobicContact CE-CD2 4.22Å; M1201-L1204 HydrophobicContact SD-CD2 3.36Å; M1201-L1204 WeakPolarHBondContact SD-CD2 3.25Å; M1201-L1204 HydrophobicContact SD-CG 3.62Å; M1201-H1213 VanDerWaalsContact O-CB 3.28Å; M1201-H1213 WeakPolarHBondContact O-CB 3.43Å; M1201-L1253 HydrophobicContact CE-CD2 3.96Å; M1201-I1267 WeakPolarHBondContact CA-O 3.24Å; M1201-I1267 HydrophobicContact CB-CB 3.92Å; M1201-I1267 WeakPolarHBondContact CB-O 3.25Å; M1201-I1267 HydrophobicContact CE-CB 4.32Å; M1201-I1267 HydrophobicContact CE-CD1 3.73Å; M1201-V1271 HydrophobicContact CE-CB 3.74Å; M1201-V1271 HydrophobicContact CE-CG2 3.35Å; M1201-V1271 HydrophobicContact SD-CB 4.23Å; M1201-V1271 HydrophobicContact SD-CG2 4.3Å
1202Q89.1Confident92.3Very high84 Ų8437.8 Ų37.839%0.39321%0.207SC..EExtended strand (participates in β ladder)trans-64.9-34.1179.1-167.5-176.53.500113H1213 I1267 I1270Q1202-H1213 WeakPolarHBondContact O-CB 3.38Å; Q1202-H1213 PolarHBondContact O-N 3.4Å; Q1202-H1213 PolarHBondContact O-ND1 2.85Å; Q1202-I1267 PolarHBondContact N-O 2.77Å; Q1202-I1270 HydrophobicContact CB-CG1 4.28Å; Q1202-I1270 HydrophobicContact CG-CG1 4.16Å
1203G93.1Very high92.2Very high0 Ų034.7 Ų34.70%019%0.194CC..EExtended strand (participates in β ladder)trans170.5169.7175.300000113.9M1201 L1211 I1270 V1271M1201-G1203 VanDerWaalsContact C-N 3.31Å; M1201-G1203 PolarHBondContact O-N 3.48Å; G1203-L1211 CarbonylContact C-O 3.49Å; G1203-L1211 WeakPolarHBondContact CA-O 3.22Å; G1203-I1270 WeakPolarHBondContact O-CA 3.45Å; G1203-V1271 PolarHBondContact O-N 3.3Å
1204L95.5Very high92.1Very high0 Ų034.5 Ų34.50%020%0.198CC..EExtended strand (participates in β ladder)trans-110.8125.4173.9-69.8168.6000109.7V1194 T1197 L1198 M1201 T1210 L1211 I1250 L1253 V1271 V1273V1194-L1204 HydrophobicContact CG1-CD1 4.32Å; T1197-L1204 HydrophobicContact CG2-CD1 4.03Å; T1197-L1204 HydrophobicContact CG2-CD2 4.33Å; T1197-L1204 HydrophobicContact CG2-CG 4.42Å; L1198-L1204 HydrophobicContact CD2-CB 4.42Å; L1198-L1204 HydrophobicContact CD2-CD1 4.2Å; L1198-L1204 HydrophobicContact CD2-CG 4.11Å; M1201-L1204 HydrophobicContact CE-CD2 4.22Å; M1201-L1204 HydrophobicContact SD-CD2 3.36Å; M1201-L1204 WeakPolarHBondContact SD-CD2 3.25Å; M1201-L1204 HydrophobicContact SD-CG 3.62Å; L1204-T1210 CarbonylContact O-C 3.6Å; L1204-T1210 WeakPolarHBondContact O-CA 3.05Å; L1204-L1211 HydrophobicContact CB-CB 4.34Å; L1204-L1211 PolarHBondContact N-O 3.27Å; L1204-L1211 PolarHBondContact O-N 3.48Å; L1204-I1250 HydrophobicContact CD1-CG2 4.4Å; L1204-L1253 HydrophobicContact CD2-CD2 3.75Å; L1204-V1271 WeakPolarHBondContact CA-O 3.47Å; L1204-V1271 HydrophobicContact CD2-CB 4.36Å; L1204-V1273 HydrophobicContact CD2-CG2 4.09Å
1205S95.2Very high91.9Very high18 Ų1835.6 Ų35.613%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-100.3131.8173.5-175.50000110.6V1271 V1273S1205-V1271 PolarHBondContact N-O 3.07Å; S1205-V1273 PolarHBondContact O-N 3.33Å
1206I93.2Very high91.7Very high6 Ų634.9 Ų34.93%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-131.9109.4172.9-57.1165.5000106.7N1208 L1209 V1233 V1237 I1246 I1250 V1273 E1274I1206-N1208 PolarHBondContact O-N 3.3Å; I1206-L1209 PolarHBondContact N-O 2.86Å; I1206-L1209 PolarHBondContact O-N 3.12Å; I1206-L1209 VanDerWaalsContact O-N 3.11Å; I1206-V1233 HydrophobicContact CB-CG1 4.06Å; I1206-V1233 HydrophobicContact CD1-CG1 3.95Å; I1206-V1233 HydrophobicContact CG1-CG1 4.47Å; I1206-V1237 HydrophobicContact CG2-CG2 3.6Å; I1206-I1246 HydrophobicContact CD1-CG2 4.08Å; I1206-I1246 HydrophobicContact CG1-CG2 4.2Å; I1206-I1246 HydrophobicContact CG2-CG2 4.14Å; I1206-I1250 HydrophobicContact CD1-CD1 3.62Å; I1206-I1250 HydrophobicContact CG1-CD1 4.43Å; I1206-V1273 HydrophobicContact CG1-CB 4.34Å; I1206-V1273 HydrophobicContact CG1-CG2 3.97Å; I1206-E1274 WeakPolarHBondContact CA-OE1 3.24Å
1207G85.7Confident91.5Very high50 Ų5035.8 Ų35.852%0.51521%0.205SC..THydrogen-bonded Turntrans63.1-117.4-17200000111.4E1274G1207-E1274 PolarHBondContact N-OE1 3.16Å
1208N86.7Confident91.3Very high143 Ų14338.8 Ų38.877%0.76522%0.219SC*.THydrogen-bonded Turntrans-101.70.7176.963.8-24.9000113.2I1206I1206-N1208 PolarHBondContact O-N 3.3Å
1209L92.6Very high91.2Very high53 Ų5339.2 Ų39.228%0.27722%0.221SC..EExtended strand (participates in β ladder)trans-105134.2-178.6-63.6-178.6000110.1I1206 V1233 M1236I1206-L1209 PolarHBondContact N-O 2.86Å; I1206-L1209 PolarHBondContact O-N 3.12Å; I1206-L1209 VanDerWaalsContact O-N 3.11Å; L1209-V1233 HydrophobicContact CB-CG1 3.91Å; L1209-V1233 HydrophobicContact CB-CG2 4.36Å; L1209-V1233 HydrophobicContact CD1-CG1 4.39Å; L1209-V1233 HydrophobicContact CD1-CG2 4.29Å; L1209-M1236 HydrophobicContact CD1-CB 4.1Å; L1209-M1236 HydrophobicContact CD1-CG 3.64Å
1210T94.3Very high91.3Very high70 Ų7036.6 Ų36.643%0.42921%0.205SC..EExtended strand (participates in β ladder)trans-118119.8179.8-58.30000110L1204 S1212 I1270L1204-T1210 CarbonylContact O-C 3.6Å; L1204-T1210 WeakPolarHBondContact O-CA 3.05Å; T1210-S1212 PolarHBondContact O-N 3.09Å; T1210-I1270 HydrophobicContact CG2-CD1 4.14Å; T1210-I1270 HydrophobicContact CG2-CG1 4.48Å; T1210-I1270 HydrophobicContact CG2-CG2 3.92Å
1211L95.4Very high91.4Very high4 Ų439.6 Ų39.62%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-76.4101.3164.1-68.1171.1000108.2V1194 L1198 G1203 L1204 L1215 T1229 V1230 V1233V1194-L1211 HydrophobicContact CG1-CD1 4.32Å; L1198-L1211 HydrophobicContact CD1-CB 4.26Å; L1198-L1211 HydrophobicContact CD2-CB 4.18Å; L1198-L1211 VanDerWaalsContact CD2-O 3.25Å; L1198-L1211 WeakPolarHBondContact CD2-O 3.42Å; G1203-L1211 CarbonylContact C-O 3.49Å; G1203-L1211 WeakPolarHBondContact CA-O 3.22Å; L1204-L1211 HydrophobicContact CB-CB 4.34Å; L1204-L1211 PolarHBondContact N-O 3.27Å; L1204-L1211 PolarHBondContact O-N 3.48Å; L1211-L1215 HydrophobicContact CB-CD1 4.38Å; L1211-L1215 HydrophobicContact CD2-CD1 3.7Å; L1211-T1229 HydrophobicContact CD2-CG2 4.17Å; L1211-V1230 HydrophobicContact CD1-CG1 4.34Å; L1211-V1230 HydrophobicContact CD1-CG2 4.18Å; L1211-V1230 HydrophobicContact CD2-CG2 4.38Å; L1211-V1233 HydrophobicContact CD2-CB 4.29Å; L1211-V1233 HydrophobicContact CD2-CG2 3.7Å; L1211-V1233 HydrophobicContact CG-CB 4.36Å; L1211-V1233 HydrophobicContact CG-CG1 4.32Å; L1211-V1233 HydrophobicContact CG-CG2 4.12Å
1212S93.5Very high91.5Very high36 Ų3640.8 Ų40.825%0.25223%0.233SC..EExtended strand (participates in β ladder)trans-77.1146.5178.3-179.20000111.6T1210 N1214 L1215T1210-S1212 PolarHBondContact O-N 3.09Å; S1212-N1214 PolarHBondContact O-N 2.99Å; S1212-N1214 PolarHBondContact OG-N 3.32Å; S1212-L1215 WeakPolarHBondContact O-CB 3.3Å; S1212-L1215 WeakPolarHBondContact O-CG 3.19Å; S1212-L1215 PolarHBondContact O-N 3.23Å; S1212-L1215 VanDerWaalsContact O-N 3.09Å
1213H91.6Very high91.7Very high53 Ų5337.1 Ų37.125%0.24522%0.216CC..THydrogen-bonded Turntrans-56.2-20.4168.776.6-78.2000113.6L1198 M1201 Q1202 L1215 T1216 K1217L1198-H1213 WeakPolarHBondContact O-CB 3.1Å; M1201-H1213 VanDerWaalsContact O-CB 3.28Å; M1201-H1213 WeakPolarHBondContact O-CB 3.43Å; Q1202-H1213 WeakPolarHBondContact O-CB 3.38Å; Q1202-H1213 PolarHBondContact O-N 3.4Å; Q1202-H1213 PolarHBondContact O-ND1 2.85Å; H1213-L1215 PolarHBondContact O-N 3.01Å; H1213-T1216 WeakPolarHBondContact O-CB 3.24Å; H1213-T1216 PolarHBondContact O-N 3.34Å; H1213-T1216 PolarHBondContact O-OG1 3.39Å; H1213-K1217 PolarHBondContact NE2-NZ 2.69Å
1214N91.3Very high91.7Very high66 Ų6638 Ų3835%0.35322%0.22SC..THydrogen-bonded Turntrans-55.7-30.9174.4-73.8-22.2000112.5S1212 T1216 K1217 E1218S1212-N1214 PolarHBondContact O-N 2.99Å; S1212-N1214 PolarHBondContact OG-N 3.32Å; N1214-T1216 PolarHBondContact O-N 2.87Å; N1214-T1216 VanDerWaalsContact O-N 3.11Å; N1214-K1217 WeakPolarHBondContact O-CA 3.47Å; N1214-K1217 VanDerWaalsContact O-CB 3.25Å; N1214-K1217 WeakPolarHBondContact O-CB 3.42Å; N1214-K1217 PolarHBondContact O-N 2.93Å; N1214-K1217 PolarHBondContact OD1-NZ 3.06Å; N1214-E1218 WeakPolarHBondContact O-CG 3.2Å; N1214-E1218 PolarHBondContact O-N 3.25Å; N1214-E1218 VanDerWaalsContact O-N 3.15Å
1215L92Very high91.5Very high26 Ų2642 Ų4214%0.13624%0.237CC..Hα-helixtrans-55.5-32.7175.4-66.2174.5000112.6L1198 L1211 S1212 H1213 K1217 E1218 M1219 F1226 T1229L1198-L1215 HydrophobicContact CD1-CD1 4.45Å; L1211-L1215 HydrophobicContact CB-CD1 4.38Å; L1211-L1215 HydrophobicContact CD2-CD1 3.7Å; S1212-L1215 WeakPolarHBondContact O-CB 3.3Å; S1212-L1215 WeakPolarHBondContact O-CG 3.19Å; S1212-L1215 PolarHBondContact O-N 3.23Å; S1212-L1215 VanDerWaalsContact O-N 3.09Å; H1213-L1215 PolarHBondContact O-N 3.01Å; L1215-K1217 VanDerWaalsContact C-N 3.27Å; L1215-K1217 PolarHBondContact O-N 3.27Å; L1215-E1218 PolarHBondContact O-N 2.96Å; L1215-M1219 VanDerWaalsContact O-CB 3.31Å; L1215-M1219 WeakPolarHBondContact O-CB 3.47Å; L1215-M1219 WeakPolarHBondContact O-CG 3.49Å; L1215-M1219 PolarHBondContact O-N 3.49Å; L1215-F1226 HydrophobicContact CB-CD2 4.37Å; L1215-F1226 HydrophobicContact CB-CE2 4.19Å; L1215-T1229 HydrophobicContact CD1-CG2 4.08Å; L1215-T1229 HydrophobicContact CD2-CG2 4.35Å
1216T90.5Very high91.5Very high10 Ų1041.2 Ų41.26%0.06123%0.231CC..Hα-helixtrans-74-18.5177.370.70000113.2R293 Y1195 L1198 T1199 H1213 N1214 M1219R293-T1216 PolarHBondContact NH1-O 3Å; R293-T1216 PolarHBondContact NH2-O 2.83Å; Y1195-T1216 HydrophobicContact CD2-CG2 4.18Å; Y1195-T1216 HydrophobicContact CE1-CG2 4.48Å; Y1195-T1216 HydrophobicContact CE2-CG2 4.06Å; Y1195-T1216 HydrophobicContact CG-CG2 4.47Å; Y1195-T1216 PolarHBondContact OH-O 3.33Å; L1198-T1216 HydrophobicContact CB-CG2 3.64Å; T1199-T1216 HydrophobicContact CG2-CG2 3.9Å; H1213-T1216 WeakPolarHBondContact O-CB 3.24Å; H1213-T1216 PolarHBondContact O-N 3.34Å; H1213-T1216 PolarHBondContact O-OG1 3.39Å; N1214-T1216 PolarHBondContact O-N 2.87Å; N1214-T1216 VanDerWaalsContact O-N 3.11Å; T1216-M1219 CarbonylContact C-O 3.45Å; T1216-M1219 VanDerWaalsContact O-O 3.08Å
1217K87.4Confident91.6Very high55 Ų5541.3 Ų41.324%0.23923%0.233CC..Hα-helixtrans-80.6-39.4172.2-51-177.6-177.8152.80110.4R293 R314 H1213 N1214 L1215R293-K1217 PolarHBondContact NH1-O 3.05Å; R314-K1217 HydrophobicContact CB-CB 4.27Å; R314-K1217 WeakPolarHBondContact CB-O 3.48Å; H1213-K1217 PolarHBondContact NE2-NZ 2.69Å; N1214-K1217 WeakPolarHBondContact O-CA 3.47Å; N1214-K1217 VanDerWaalsContact O-CB 3.25Å; N1214-K1217 WeakPolarHBondContact O-CB 3.42Å; N1214-K1217 PolarHBondContact O-N 2.93Å; N1214-K1217 PolarHBondContact OD1-NZ 3.06Å; L1215-K1217 VanDerWaalsContact C-N 3.27Å; L1215-K1217 PolarHBondContact O-N 3.27Å
1218E88.3Confident92Very high63 Ų6340.2 Ų40.229%0.29422%0.216SC..Hα-helixtrans-79.7-29.6-176.2-56.9174.4-170.300112.1K184 P310 L313 N1214 L1215K184-E1218 PolarHBondContact NZ-O 3.26Å; K184-E1218 VanDerWaalsContact NZ-O 3.12Å; P310-E1218 HydrophobicContact CB-CB 3.99Å; P310-E1218 VanDerWaalsContact CB-CD 3.49Å; P310-E1218 HydrophobicContact CB-CG 3.39Å; P310-E1218 WeakPolarHBondContact O-CA 3.37Å; L313-E1218 WeakPolarHBondContact CD1-O 3.49Å; N1214-E1218 WeakPolarHBondContact O-CG 3.2Å; N1214-E1218 PolarHBondContact O-N 3.25Å; N1214-E1218 VanDerWaalsContact O-N 3.15Å; L1215-E1218 PolarHBondContact O-N 2.96Å
1219M92.2Very high92.3Very high9 Ų935.7 Ų35.74%0.04419%0.193CC..SBendtrans-133.6154.9-168-47.5-170.571.100111.3R293 Y1195 L1215 T1216 E1223 K1225 F1226R293-M1219 PolarHBondContact NH1-O 3.27Å; Y1195-M1219 WeakPolarHBondContact CE2-O 3.43Å; Y1195-M1219 PolarHBondContact OH-O 3.42Å; L1215-M1219 VanDerWaalsContact O-CB 3.31Å; L1215-M1219 WeakPolarHBondContact O-CB 3.47Å; L1215-M1219 WeakPolarHBondContact O-CG 3.49Å; L1215-M1219 PolarHBondContact O-N 3.49Å; T1216-M1219 CarbonylContact C-O 3.45Å; T1216-M1219 VanDerWaalsContact O-O 3.08Å; M1219-E1223 WeakPolarHBondContact CA-OE2 3.4Å; M1219-E1223 WeakPolarHBondContact CB-OE2 3.36Å; M1219-E1223 HydrophobicContact CE-CB 4.25Å; M1219-E1223 VanDerWaalsContact CE-OE2 3.32Å; M1219-E1223 WeakPolarHBondContact CE-OE2 3.36Å; M1219-K1225 HydrophobicContact CE-CB 3.32Å; M1219-K1225 HydrophobicContact CE-CD 3.63Å; M1219-K1225 HydrophobicContact CE-CG 3.42Å; M1219-K1225 VanDerWaalsContact CE-CG 3.42Å; M1219-F1226 HydrophobicContact CB-CB 4.29Å; M1219-F1226 HydrophobicContact CE-CB 3.92Å; M1219-F1226 HydrophobicContact SD-CB 4.03Å; M1219-F1226 HydrophobicContact SD-CD2 4.49Å
1220T91.9Very high92.5Very high9 Ų933.2 Ų33.26%0.05518%0.18CC..  trans-95.5160.8172.2630000111.4L292 R293 Y1195 G1222 E1223L292-T1220 HydrophobicContact CB-CG2 4.27Å; L292-T1220 HydrophobicContact CD1-CG2 4.28Å; R293-T1220 HydrophobicContact CG-CG2 4.36Å; Y1195-T1220 VanDerWaalsContact CE2-C 3.49Å; T1220-G1222 VanDerWaalsContact C-N 3.3Å; T1220-G1222 PolarHBondContact O-N 3.34Å; T1220-E1223 WeakPolarHBondContact CB-OE1 3.39Å; T1220-E1223 VanDerWaalsContact N-CD 3.32Å; T1220-E1223 PolarHBondContact N-OE1 3.11Å; T1220-E1223 WeakPolarHBondContact O-CB 3.31Å; T1220-E1223 PolarHBondContact O-N 3.41Å; T1220-E1223 WeakPolarHBondContact OG1-CG 3.45Å; T1220-E1223 PolarHBondContact OG1-OE1 3.37Å
1221M90.8Very high92.4Very high74 Ų7430.1 Ų30.137%0.36516%0.161SC..THydrogen-bonded Turntrans-61.2-32.8-173.1-178.4179.259.500114.3K1192 Y1195 I1196K1192-M1221 HydrophobicContact CB-CG 4.09Å; K1192-M1221 HydrophobicContact CB-SD 4.05Å; K1192-M1221 HydrophobicContact CG-CG 4.06Å; K1192-M1221 HydrophobicContact CG-SD 4.37Å; Y1195-M1221 HydrophobicContact CD1-CB 3.59Å; Y1195-M1221 HydrophobicContact CD1-CG 3.83Å; Y1195-M1221 HydrophobicContact CD1-SD 4.38Å; Y1195-M1221 HydrophobicContact CD2-CB 4.06Å; Y1195-M1221 HydrophobicContact CE1-CB 3.81Å; Y1195-M1221 HydrophobicContact CE2-CB 4.23Å; Y1195-M1221 HydrophobicContact CG-CB 3.72Å; Y1195-M1221 HydrophobicContact CG-CG 3.84Å; I1196-M1221 HydrophobicContact CD1-SD 3.79Å; I1196-M1221 HydrophobicContact CG1-SD 4.14Å
1222G90.9Very high92.2Very high28 Ų2833.4 Ų33.429%0.28918%0.176SC..THydrogen-bonded Turntrans-90.90.3-178.600000114.5E249 T1220E249-G1222 WeakPolarHBondContact OE2-CA 3.45Å; E249-G1222 PolarHBondContact OE2-N 2.75Å; T1220-G1222 VanDerWaalsContact C-N 3.3Å; T1220-G1222 PolarHBondContact O-N 3.34Å
1223E94Very high92.2Very high6 Ų632.2 Ų32.23%0.02817%0.167CC..  trans-68.1133.1178.4-83.4167.1-133.900111.7K184 S247 E249 M1219 T1220 K1225 F1226 A1227K184-E1223 IonicContact NZ-OE1 3.56Å; K184-E1223 PolarHBondContact NZ-OE1 3.28Å; K184-E1223 IonicContact NZ-OE2 2.81Å; K184-E1223 PolarHBondContact NZ-OE2 3.39Å; S247-E1223 WeakPolarHBondContact O-CG 3.23Å; E249-E1223 HydrophobicContact CB-CG 4.49Å; M1219-E1223 WeakPolarHBondContact CA-OE2 3.4Å; M1219-E1223 WeakPolarHBondContact CB-OE2 3.36Å; M1219-E1223 HydrophobicContact CE-CB 4.25Å; M1219-E1223 VanDerWaalsContact CE-OE2 3.32Å; M1219-E1223 WeakPolarHBondContact CE-OE2 3.36Å; T1220-E1223 WeakPolarHBondContact CB-OE1 3.39Å; T1220-E1223 VanDerWaalsContact N-CD 3.32Å; T1220-E1223 PolarHBondContact N-OE1 3.11Å; T1220-E1223 WeakPolarHBondContact O-CB 3.31Å; T1220-E1223 PolarHBondContact O-N 3.41Å; T1220-E1223 WeakPolarHBondContact OG1-CG 3.45Å; T1220-E1223 PolarHBondContact OG1-OE1 3.37Å; E1223-K1225 VanDerWaalsContact C-N 3.3Å; E1223-K1225 PolarHBondContact O-N 2.97Å; E1223-F1226 HydrophobicContact CB-CB 4.41Å; E1223-F1226 PolarHBondContact O-N 3.01Å; E1223-A1227 PolarHBondContact O-N 3Å
1224H92.2Very high92.2Very high18 Ų1829.8 Ų29.88%0.08316%0.156CC..Hα-helixtrans-68.6-35.3177.1-162.150.3000111.7R243 N246 F1226 A1227 L1228R243-H1224 VanDerWaalsContact NH1-CG 3.31Å; R243-H1224 PolarHBondContact NH1-ND1 2.85Å; N246-H1224 HydrophobicContact CB-CB 4.48Å; N246-H1224 PolarHBondContact O-N 3.28Å; N246-H1224 VanDerWaalsContact O-N 3.12Å; N246-H1224 PolarHBondContact OD1-CD2 2.82Å; N246-H1224 VanDerWaalsContact OD1-CD2 3.27Å; H1224-F1226 PolarHBondContact O-N 3.14Å; H1224-A1227 CarbonylContact O-C 3.51Å; H1224-A1227 WeakPolarHBondContact O-CA 3.46Å; H1224-A1227 WeakPolarHBondContact O-CB 3.23Å; H1224-A1227 PolarHBondContact O-N 2.76Å; H1224-L1228 WeakPolarHBondContact O-CG 3.22Å; H1224-L1228 PolarHBondContact O-N 3.42Å
1225K92.4Very high92Very high85 Ų8526.9 Ų26.937%0.3714%0.141SC..Hα-helixtrans-56.4-35.3176.1-174.5-171.8175.8176.10110.9N246 M1219 E1223 L1228 T1229N246-K1225 HydrophobicContact CB-CB 4.34Å; N246-K1225 WeakPolarHBondContact O-CB 3.24Å; N246-K1225 PolarHBondContact O-N 3.47Å; M1219-K1225 HydrophobicContact CE-CB 3.32Å; M1219-K1225 HydrophobicContact CE-CD 3.63Å; M1219-K1225 HydrophobicContact CE-CG 3.42Å; M1219-K1225 VanDerWaalsContact CE-CG 3.42Å; E1223-K1225 VanDerWaalsContact C-N 3.3Å; E1223-K1225 PolarHBondContact O-N 2.97Å; K1225-L1228 PolarHBondContact O-N 3.48Å; K1225-T1229 PolarHBondContact O-N 3.18Å; K1225-T1229 PolarHBondContact O-OG1 3.46Å; K1225-T1229 VanDerWaalsContact O-OG1 3.04Å
1226F95.5Very high91.8Very high1 Ų130.2 Ų30.20%0.00416%0.157CC..Hα-helixtrans-66.7-46.9174.9173.6-93.4000110.9Y1191 V1194 Y1195 L1198 L1215 M1219 E1223 H1224 L1228 T1229 V1230Y1191-F1226 WeakPolarHBondContact O-CE1 3.31Å; V1194-F1226 HydrophobicContact CB-CZ 4.46Å; V1194-F1226 HydrophobicContact CG1-CZ 4.17Å; Y1195-F1226 VanDerWaalsContact CA-CZ 3.48Å; Y1195-F1226 HydrophobicContact CD2-CD1 4.27Å; Y1195-F1226 HydrophobicContact CD2-CD2 4.07Å; Y1195-F1226 HydrophobicContact CD2-CE1 4.14Å; Y1195-F1226 AromaticContact CD2-CE2 3.92Å; Y1195-F1226 HydrophobicContact CD2-CE2 3.92Å; Y1195-F1226 HydrophobicContact CD2-CG 4.25Å; Y1195-F1226 AromaticContact CD2-CZ 3.97Å; Y1195-F1226 HydrophobicContact CD2-CZ 3.97Å; Y1195-F1226 HydrophobicContact CG-CE1 4.42Å; Y1195-F1226 HydrophobicContact CG-CZ 4.32Å; L1198-F1226 HydrophobicContact CD1-CE2 3.97Å; L1198-F1226 HydrophobicContact CD1-CZ 4.05Å; L1215-F1226 HydrophobicContact CB-CD2 4.37Å; L1215-F1226 HydrophobicContact CB-CE2 4.19Å; M1219-F1226 HydrophobicContact CB-CB 4.29Å; M1219-F1226 HydrophobicContact CE-CB 3.92Å; M1219-F1226 HydrophobicContact SD-CB 4.03Å; M1219-F1226 HydrophobicContact SD-CD2 4.49Å; E1223-F1226 HydrophobicContact CB-CB 4.41Å; E1223-F1226 PolarHBondContact O-N 3.01Å; H1224-F1226 PolarHBondContact O-N 3.14Å; F1226-L1228 VanDerWaalsContact C-N 3.3Å; F1226-L1228 PolarHBondContact O-N 3.29Å; F1226-T1229 PolarHBondContact O-N 3.08Å; F1226-V1230 HydrophobicContact CD1-CG2 4.37Å; F1226-V1230 HydrophobicContact CE1-CG2 3.8Å; F1226-V1230 HydrophobicContact CE2-CG2 4.27Å; F1226-V1230 HydrophobicContact CZ-CG2 3.75Å; F1226-V1230 WeakPolarHBondContact O-CG2 3.48Å; F1226-V1230 PolarHBondContact O-N 2.98Å; F1226-V1230 VanDerWaalsContact O-N 3.1Å
1227A94.9Very high91.7Very high9 Ų930.5 Ų30.57%0.07416%0.159CC..Hα-helixtrans-60.1-39.917700000112.2L1039 Y1191 E1223 H1224 V1230 E1231L1039-A1227 HydrophobicContact CD1-CB 3.89Å; Y1191-A1227 HydrophobicContact CD1-CB 3.85Å; Y1191-A1227 HydrophobicContact CD2-CB 3.99Å; Y1191-A1227 HydrophobicContact CE1-CB 4.38Å; Y1191-A1227 WeakPolarHBondContact CE1-O 3.27Å; Y1191-A1227 HydrophobicContact CG-CB 3.63Å; E1223-A1227 PolarHBondContact O-N 3Å; H1224-A1227 CarbonylContact O-C 3.51Å; H1224-A1227 WeakPolarHBondContact O-CA 3.46Å; H1224-A1227 WeakPolarHBondContact O-CB 3.23Å; H1224-A1227 PolarHBondContact O-N 2.76Å; A1227-V1230 PolarHBondContact O-N 3.33Å; A1227-E1231 VanDerWaalsContact O-CB 3.31Å; A1227-E1231 WeakPolarHBondContact O-CB 3.34Å; A1227-E1231 PolarHBondContact O-N 2.98Å
1228L93.3Very high91.5Very high27 Ų2731.7 Ų31.714%0.14117%0.174CC..Hα-helixtrans-65.5-38.2176.5-68.2177000112.6L1039 H1224 K1225 F1226 E1231 H1232L1039-L1228 HydrophobicContact CD1-CD2 4.47Å; H1224-L1228 WeakPolarHBondContact O-CG 3.22Å; H1224-L1228 PolarHBondContact O-N 3.42Å; K1225-L1228 PolarHBondContact O-N 3.48Å; F1226-L1228 VanDerWaalsContact C-N 3.3Å; F1226-L1228 PolarHBondContact O-N 3.29Å; L1228-E1231 PolarHBondContact O-N 2.96Å; L1228-H1232 WeakPolarHBondContact O-CB 3.48Å; L1228-H1232 PolarHBondContact O-N 2.91Å
1229T94.3Very high91.5Very high47 Ų4729.9 Ų29.929%0.28817%0.167SC..Hα-helixtrans-62.8-45.4174.2-59.30000111.3L1211 L1215 K1225 F1226 H1232 V1233L1211-T1229 HydrophobicContact CD2-CG2 4.17Å; L1215-T1229 HydrophobicContact CD1-CG2 4.08Å; L1215-T1229 HydrophobicContact CD2-CG2 4.35Å; K1225-T1229 PolarHBondContact O-N 3.18Å; K1225-T1229 PolarHBondContact O-OG1 3.46Å; K1225-T1229 VanDerWaalsContact O-OG1 3.04Å; F1226-T1229 PolarHBondContact O-N 3.08Å; T1229-H1232 PolarHBondContact O-N 2.93Å; T1229-V1233 PolarHBondContact O-N 2.72Å
1230V95.4Very high91.4Very high1 Ų130 Ų301%0.00617%0.169CC..Hα-helixtrans-64-46.3176.8175.30000110.9F1190 Y1191 V1194 L1211 F1226 A1227 H1232 V1233 C1234F1190-V1230 HydrophobicContact CE1-CG1 3.9Å; Y1191-V1230 HydrophobicContact CD1-CB 3.95Å; Y1191-V1230 HydrophobicContact CD1-CG1 3.91Å; Y1191-V1230 HydrophobicContact CE1-CB 4.33Å; Y1191-V1230 HydrophobicContact CE1-CG1 4.2Å; V1194-V1230 HydrophobicContact CB-CG1 4.4Å; V1194-V1230 HydrophobicContact CB-CG2 4.42Å; V1194-V1230 HydrophobicContact CG1-CG1 4.11Å; V1194-V1230 HydrophobicContact CG1-CG2 3.81Å; V1194-V1230 HydrophobicContact CG2-CG1 4.12Å; L1211-V1230 HydrophobicContact CD1-CG1 4.34Å; L1211-V1230 HydrophobicContact CD1-CG2 4.18Å; L1211-V1230 HydrophobicContact CD2-CG2 4.38Å; F1226-V1230 HydrophobicContact CD1-CG2 4.37Å; F1226-V1230 HydrophobicContact CE1-CG2 3.8Å; F1226-V1230 HydrophobicContact CE2-CG2 4.27Å; F1226-V1230 HydrophobicContact CZ-CG2 3.75Å; F1226-V1230 WeakPolarHBondContact O-CG2 3.48Å; F1226-V1230 PolarHBondContact O-N 2.98Å; F1226-V1230 VanDerWaalsContact O-N 3.1Å; A1227-V1230 PolarHBondContact O-N 3.33Å; V1230-H1232 VanDerWaalsContact C-N 3.32Å; V1230-H1232 PolarHBondContact O-N 3.07Å; V1230-V1233 PolarHBondContact O-N 2.87Å; V1230-C1234 PolarHBondContact O-N 3.28Å; V1230-C1234 PolarHBondContact O-SG 3.2Å; V1230-C1234 VanDerWaalsContact O-SG 3.42Å
1231E93.4Very high91.4Very high5 Ų529.8 Ų29.82%0.02317%0.167CC..Hα-helixtrans-55.8-47.5176179.765.8-16600111L1039 R1040 N1184 Y1191 A1227 L1228 V1233 C1234 T1235L1039-E1231 HydrophobicContact CB-CG 4.19Å; L1039-E1231 HydrophobicContact CD1-CB 4.47Å; R1040-E1231 HydrophobicContact CB-CG 4.45Å; N1184-E1231 VanDerWaalsContact CB-OE1 3.31Å; N1184-E1231 WeakPolarHBondContact CB-OE1 3.46Å; N1184-E1231 PolarHBondContact ND2-OE1 3.01Å; Y1191-E1231 HydrophobicContact CE1-CB 4.18Å; Y1191-E1231 PolarHBondContact OH-OE2 3.31Å; A1227-E1231 VanDerWaalsContact O-CB 3.31Å; A1227-E1231 WeakPolarHBondContact O-CB 3.34Å; A1227-E1231 PolarHBondContact O-N 2.98Å; L1228-E1231 PolarHBondContact O-N 2.96Å; E1231-V1233 PolarHBondContact O-N 2.72Å; E1231-C1234 PolarHBondContact O-N 2.86Å; E1231-T1235 HydrophobicContact CG-CG2 4.22Å; E1231-T1235 WeakPolarHBondContact O-CB 3.47Å; E1231-T1235 WeakPolarHBondContact O-CG2 3.49Å; E1231-T1235 PolarHBondContact O-N 2.96Å; E1231-T1235 PolarHBondContact O-OG1 2.99Å; E1231-T1235 WeakPolarHBondContact OE1-CG2 3.47Å
1232H91.5Very high91.5Very high73 Ų7326.8 Ų26.834%0.33815%0.151SC..Hα-helixtrans-55.9-50.2178.5177.460.8000111.5L1228 T1229 V1230 C1234 T1235 M1236L1228-H1232 WeakPolarHBondContact O-CB 3.48Å; L1228-H1232 PolarHBondContact O-N 2.91Å; T1229-H1232 PolarHBondContact O-N 2.93Å; V1230-H1232 VanDerWaalsContact C-N 3.32Å; V1230-H1232 PolarHBondContact O-N 3.07Å; H1232-C1234 PolarHBondContact O-N 3.11Å; H1232-T1235 WeakPolarHBondContact CA-OG1 3.4Å; H1232-T1235 PolarHBondContact O-N 2.82Å; H1232-T1235 PolarHBondContact O-OG1 2.73Å; H1232-M1236 WeakPolarHBondContact O-CG 3.39Å; H1232-M1236 PolarHBondContact O-N 2.73Å
1233V92.4Very high91.7Very high12 Ų1225.6 Ų25.67%0.07314%0.138CC..Hα-helixtrans-60.4-45.9177.6177.30000111.5I1206 L1209 L1211 T1229 V1230 E1231 T1235 M1236I1206-V1233 HydrophobicContact CB-CG1 4.06Å; I1206-V1233 HydrophobicContact CD1-CG1 3.95Å; I1206-V1233 HydrophobicContact CG1-CG1 4.47Å; L1209-V1233 HydrophobicContact CB-CG1 3.91Å; L1209-V1233 HydrophobicContact CB-CG2 4.36Å; L1209-V1233 HydrophobicContact CD1-CG1 4.39Å; L1209-V1233 HydrophobicContact CD1-CG2 4.29Å; L1211-V1233 HydrophobicContact CD2-CB 4.29Å; L1211-V1233 HydrophobicContact CD2-CG2 3.7Å; L1211-V1233 HydrophobicContact CG-CB 4.36Å; L1211-V1233 HydrophobicContact CG-CG1 4.32Å; L1211-V1233 HydrophobicContact CG-CG2 4.12Å; T1229-V1233 PolarHBondContact O-N 2.72Å; V1230-V1233 PolarHBondContact O-N 2.87Å; E1231-V1233 PolarHBondContact O-N 2.72Å; V1233-T1235 VanDerWaalsContact C-N 3.28Å; V1233-T1235 PolarHBondContact O-N 3.05Å; V1233-M1236 WeakPolarHBondContact O-CB 3.13Å; V1233-M1236 PolarHBondContact O-N 3.42Å
1234C91.1Very high91.7Very high2 Ų225.9 Ų25.91%0.01414%0.14CC..Hα-helixtrans-62.3-35.1177.8-69.50000112.5V1230 E1231 H1232 M1236 V1237 R1243V1230-C1234 PolarHBondContact O-N 3.28Å; V1230-C1234 PolarHBondContact O-SG 3.2Å; V1230-C1234 VanDerWaalsContact O-SG 3.42Å; E1231-C1234 PolarHBondContact O-N 2.86Å; H1232-C1234 PolarHBondContact O-N 3.11Å; C1234-M1236 PolarHBondContact O-N 3.24Å; C1234-V1237 PolarHBondContact O-N 3.31Å; C1234-R1243 WeakPolarHBondContact O-CD 3.38Å
1235T88.3Confident91.8Very high5 Ų525 Ų253%0.03114%0.136CC..Hα-helixtrans-72.8-13.6-179.761.30000114.8N1184 E1231 H1232 V1233 V1237N1184-T1235 WeakPolarHBondContact ND2-CG2 3.46Å; E1231-T1235 HydrophobicContact CG-CG2 4.22Å; E1231-T1235 WeakPolarHBondContact O-CB 3.47Å; E1231-T1235 WeakPolarHBondContact O-CG2 3.49Å; E1231-T1235 PolarHBondContact O-N 2.96Å; E1231-T1235 PolarHBondContact O-OG1 2.99Å; E1231-T1235 WeakPolarHBondContact OE1-CG2 3.47Å; H1232-T1235 WeakPolarHBondContact CA-OG1 3.4Å; H1232-T1235 PolarHBondContact O-N 2.82Å; H1232-T1235 PolarHBondContact O-OG1 2.73Å; V1233-T1235 VanDerWaalsContact C-N 3.28Å; V1233-T1235 PolarHBondContact O-N 3.05Å; T1235-V1237 PolarHBondContact O-N 3.23Å
1236M86.8Confident92Very high96 Ų9621 Ų2147%0.47312%0.119SC..THydrogen-bonded Turntrans-73.8-14.3174.2-65.8-58-66.700112.9L1209 H1232 V1233 C1234 S1238L1209-M1236 HydrophobicContact CD1-CB 4.1Å; L1209-M1236 HydrophobicContact CD1-CG 3.64Å; H1232-M1236 WeakPolarHBondContact O-CG 3.39Å; H1232-M1236 PolarHBondContact O-N 2.73Å; V1233-M1236 WeakPolarHBondContact O-CB 3.13Å; V1233-M1236 PolarHBondContact O-N 3.42Å; C1234-M1236 PolarHBondContact O-N 3.24Å; M1236-S1238 PolarHBondContact O-N 3.34Å; M1236-S1238 VanDerWaalsContact O-N 3.08Å
1237V88.8Confident92Very high16 Ų1621.2 Ų21.210%0.09712%0.12CC..  trans-72101.9168.8-176.60000108.8I1206 C1234 T1235 T1239 Y1242 R1243I1206-V1237 HydrophobicContact CG2-CG2 3.6Å; C1234-V1237 PolarHBondContact O-N 3.31Å; T1235-V1237 PolarHBondContact O-N 3.23Å; V1237-T1239 VanDerWaalsContact C-N 3.28Å; V1237-T1239 PolarHBondContact O-N 3.14Å; V1237-Y1242 HydrophobicContact CG1-CD1 3.73Å; V1237-R1243 HydrophobicContact CB-CB 3.89Å; V1237-R1243 HydrophobicContact CB-CG 4.28Å; V1237-R1243 HydrophobicContact CG1-CB 3.8Å
1238S83.5Confident92Very high80 Ų8021.6 Ų21.656%0.55912%0.12SC*.  trans-63.4-28.9-171.658.20000114.5M1236 P1240M1236-S1238 PolarHBondContact O-N 3.34Å; M1236-S1238 VanDerWaalsContact O-N 3.08Å; S1238-P1240 WeakPolarHBondContact O-CD 3.48Å
1239T88.6Confident92.1Very high25 Ų2520.3 Ų20.315%0.15311%0.113CC..SBendtrans-93.6116-17849.80000111.5V1237 E1241 Y1242 R1243 L1331 H1332V1237-T1239 VanDerWaalsContact C-N 3.28Å; V1237-T1239 PolarHBondContact O-N 3.14Å; T1239-E1241 PolarHBondContact O-N 3.22Å; T1239-Y1242 PolarHBondContact O-N 3.4Å; T1239-Y1242 VanDerWaalsContact OG1-CB 3.28Å; T1239-Y1242 WeakPolarHBondContact OG1-CB 3.49Å; T1239-R1243 PolarHBondContact O-N 3.02Å; T1239-L1331 HydrophobicContact CG2-CD1 4.34Å; T1239-H1332 PolarHBondContact OG1-CD2 3.07Å; T1239-H1332 PolarHBondContact OG1-NE2 3.13Å
1240P90.1Very high92.2Very high12 Ų1218.3 Ų18.38%0.07810%0.1CC..Hα-helixtrans-57.2-47.7-173.9-29.337.5000115.7K1178 G1181 A1182 S1238 Y1242 R1243 Q1244K1178-P1240 WeakPolarHBondContact O-CB 3.34Å; G1181-P1240 WeakPolarHBondContact CA-O 3.49Å; A1182-P1240 HydrophobicContact CB-CB 4.19Å; A1182-P1240 HydrophobicContact CB-CG 4.29Å; S1238-P1240 WeakPolarHBondContact O-CD 3.48Å; P1240-Y1242 VanDerWaalsContact C-N 3.31Å; P1240-Y1242 PolarHBondContact O-N 3.41Å; P1240-R1243 WeakPolarHBondContact O-CB 3.28Å; P1240-R1243 PolarHBondContact O-N 3.41Å; P1240-Q1244 PolarHBondContact O-N 2.84Å
1241E90.7Very high92.1Very high4 Ų419.6 Ų19.62%0.01911%0.106CC..Hα-helixtrans-65.4-33.8-17854.5-91.9-123.900113.2N727 R1177 K1178 T1239 L1245 L1331 Y1339N727-E1241 PolarHBondContact ND2-OE1 3.44Å; R1177-E1241 HydrophobicContact CB-CB 4.31Å; K1178-E1241 WeakPolarHBondContact CE-OE1 3.43Å; K1178-E1241 HydrophobicContact CG-CB 3.72Å; K1178-E1241 HydrophobicContact CG-CG 4.21Å; K1178-E1241 IonicContact NZ-OE1 3.43Å; K1178-E1241 PolarHBondContact NZ-OE1 2.93Å; T1239-E1241 PolarHBondContact O-N 3.22Å; E1241-L1245 PolarHBondContact O-N 3.41Å; E1241-L1331 HydrophobicContact CG-CD1 4.25Å; E1241-L1331 WeakPolarHBondContact OE1-CD1 3.36Å; E1241-Y1339 HydrophobicContact CB-CD1 4.09Å; E1241-Y1339 HydrophobicContact CB-CE1 4.2Å; E1241-Y1339 HydrophobicContact CG-CD1 4.12Å; E1241-Y1339 HydrophobicContact CG-CE1 3.94Å
1242Y93.8Very high92Very high10 Ų1020 Ų204%0.03911%0.109CC..Hα-helixtrans-77-40.4177-173.7-118.4000111.2V1237 T1239 P1240 Q1244 L1245 I1246 E1274 V1277 H1332 I1334 Y1339V1237-Y1242 HydrophobicContact CG1-CD1 3.73Å; T1239-Y1242 PolarHBondContact O-N 3.4Å; T1239-Y1242 VanDerWaalsContact OG1-CB 3.28Å; T1239-Y1242 WeakPolarHBondContact OG1-CB 3.49Å; P1240-Y1242 VanDerWaalsContact C-N 3.31Å; P1240-Y1242 PolarHBondContact O-N 3.41Å; Y1242-Q1244 PolarHBondContact O-N 3.4Å; Y1242-L1245 WeakPolarHBondContact O-CA 3.36Å; Y1242-L1245 WeakPolarHBondContact O-CB 3.32Å; Y1242-L1245 PolarHBondContact O-N 3.04Å; Y1242-I1246 HydrophobicContact CD1-CG1 4.21Å; Y1242-I1246 HydrophobicContact CE1-CD1 4.06Å; Y1242-I1246 HydrophobicContact CE1-CG1 4.01Å; Y1242-I1246 HydrophobicContact CE2-CD1 4.47Å; Y1242-I1246 WeakPolarHBondContact O-CG1 3.3Å; Y1242-I1246 PolarHBondContact O-N 2.68Å; Y1242-E1274 HydrophobicContact CE1-CG 4.36Å; Y1242-E1274 WeakPolarHBondContact OH-CB 3.34Å; Y1242-E1274 WeakPolarHBondContact OH-CG 3.28Å; Y1242-V1277 HydrophobicContact CE2-CG1 4.16Å; Y1242-H1332 HydrophobicContact CD1-CB 4.25Å; Y1242-H1332 AromaticContact CD1-CD2 3.34Å; Y1242-H1332 WeakPolarHBondContact CD1-CD2 3.06Å; Y1242-H1332 AromaticContact CD1-CE1 3.94Å; Y1242-H1332 AromaticContact CD1-CG 3.63Å; Y1242-H1332 AromaticContact CD1-NE2 3.55Å; Y1242-H1332 HydrophobicContact CD2-CB 3.92Å; Y1242-H1332 AromaticContact CD2-CD2 3.87Å; Y1242-H1332 HydrophobicContact CE1-CB 4.05Å; Y1242-H1332 AromaticContact CE1-CD2 3.94Å; Y1242-H1332 AromaticContact CE1-CG 3.72Å; Y1242-H1332 AromaticContact CE1-ND1 3.95Å; Y1242-H1332 HydrophobicContact CE2-CB 3.68Å; Y1242-H1332 HydrophobicContact CG-CB 4.18Å; Y1242-H1332 AromaticContact CG-CD2 3.29Å; Y1242-H1332 AromaticContact CG-CG 3.81Å; Y1242-H1332 AromaticContact CG-NE2 3.88Å; Y1242-H1332 AromaticContact CZ-CG 3.95Å; Y1242-I1334 HydrophobicContact CE2-CG1 4.06Å; Y1242-Y1339 HydrophobicContact CD2-CE1 4.37Å; Y1242-Y1339 WeakPolarHBondContact CD2-OH 3.44Å
1243R94Very high92Very high3 Ų316.6 Ų16.61%0.0119%0.093CC..Hα-helixtrans-51.6-42.6170.1177.7174.453.8-153.2-20.8110.8G1181 N1184 C1234 V1237 T1239 P1240 I1246 I1247G1181-R1243 PolarHBondContact O-NE 3.31Å; G1181-R1243 PolarHBondContact O-NH2 2.95Å; N1184-R1243 PolarHBondContact OD1-NH1 3.19Å; C1234-R1243 WeakPolarHBondContact O-CD 3.38Å; V1237-R1243 HydrophobicContact CB-CB 3.89Å; V1237-R1243 HydrophobicContact CB-CG 4.28Å; V1237-R1243 HydrophobicContact CG1-CB 3.8Å; T1239-R1243 PolarHBondContact O-N 3.02Å; P1240-R1243 WeakPolarHBondContact O-CB 3.28Å; P1240-R1243 PolarHBondContact O-N 3.41Å; R1243-I1246 WeakPolarHBondContact O-CB 3.2Å; R1243-I1246 PolarHBondContact O-N 2.64Å; R1243-I1247 HydrophobicContact CG-CD1 4.06Å; R1243-I1247 WeakPolarHBondContact O-CG1 3.45Å; R1243-I1247 PolarHBondContact O-N 2.77Å
1244Q94.4Very high91.9Very high13 Ų1316 Ų166%0.0619%0.09CC..Hα-helixtrans-65.1-39.3177.3-167.862.222.400112.9R1177 P1240 Y1242 I1246 I1247 E1248R1177-Q1244 HydrophobicContact CB-CB 3.99Å; R1177-Q1244 HydrophobicContact CB-CG 4.04Å; R1177-Q1244 HydrophobicContact CG-CB 4.22Å; R1177-Q1244 HydrophobicContact CG-CG 3.86Å; P1240-Q1244 PolarHBondContact O-N 2.84Å; Y1242-Q1244 PolarHBondContact O-N 3.4Å; Q1244-I1246 VanDerWaalsContact C-N 3.33Å; Q1244-I1246 PolarHBondContact O-N 2.9Å; Q1244-I1247 PolarHBondContact O-N 3.49Å; Q1244-E1248 WeakPolarHBondContact O-CB 3.24Å; Q1244-E1248 WeakPolarHBondContact O-CG 3.33Å; Q1244-E1248 PolarHBondContact O-N 3.14Å
1245L95.4Very high91.7Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-64.2-37.2172.9-72-174.7000112.7E1241 Y1242 E1248 A1249 V1277 I1334 F1338 Y1339 M1353E1241-L1245 PolarHBondContact O-N 3.41Å; Y1242-L1245 WeakPolarHBondContact O-CA 3.36Å; Y1242-L1245 WeakPolarHBondContact O-CB 3.32Å; Y1242-L1245 PolarHBondContact O-N 3.04Å; L1245-E1248 PolarHBondContact O-N 3.38Å; L1245-A1249 WeakPolarHBondContact O-CB 3.42Å; L1245-A1249 PolarHBondContact O-N 3.44Å; L1245-V1277 HydrophobicContact CB-CG1 4.26Å; L1245-V1277 HydrophobicContact CD1-CG1 4.05Å; L1245-I1334 HydrophobicContact CD1-CG2 4.22Å; L1245-F1338 HydrophobicContact CD1-CD1 4.18Å; L1245-F1338 HydrophobicContact CD1-CE1 4.31Å; L1245-F1338 HydrophobicContact CD2-CE1 4.44Å; L1245-Y1339 HydrophobicContact CD1-CD1 3.47Å; L1245-Y1339 VanDerWaalsContact CD1-CD1 3.47Å; L1245-Y1339 HydrophobicContact CD1-CE1 3.28Å; L1245-Y1339 HydrophobicContact CD1-CG 4.28Å; L1245-Y1339 HydrophobicContact CG-CD1 4.04Å; L1245-Y1339 HydrophobicContact CG-CE1 3.99Å; L1245-M1353 HydrophobicContact CB-CE 4.35Å; L1245-M1353 HydrophobicContact CD2-CE 3.9Å; L1245-M1353 WeakPolarHBondContact O-CE 3.49Å
1246I96Very high91.6Very high1 Ų118.4 Ų18.41%0.00510%0.104CC..Hα-helixtrans-63.4-45.6174.4-65.9-64.6000110.2I1206 Y1242 R1243 Q1244 E1248 A1249 I1250 V1273 E1274 V1277I1206-I1246 HydrophobicContact CD1-CG2 4.08Å; I1206-I1246 HydrophobicContact CG1-CG2 4.2Å; I1206-I1246 HydrophobicContact CG2-CG2 4.14Å; Y1242-I1246 HydrophobicContact CD1-CG1 4.21Å; Y1242-I1246 HydrophobicContact CE1-CD1 4.06Å; Y1242-I1246 HydrophobicContact CE1-CG1 4.01Å; Y1242-I1246 HydrophobicContact CE2-CD1 4.47Å; Y1242-I1246 WeakPolarHBondContact O-CG1 3.3Å; Y1242-I1246 PolarHBondContact O-N 2.68Å; R1243-I1246 WeakPolarHBondContact O-CB 3.2Å; R1243-I1246 PolarHBondContact O-N 2.64Å; Q1244-I1246 VanDerWaalsContact C-N 3.33Å; Q1244-I1246 PolarHBondContact O-N 2.9Å; I1246-E1248 PolarHBondContact O-N 3.27Å; I1246-A1249 PolarHBondContact O-N 3.45Å; I1246-I1250 HydrophobicContact CG2-CD1 3.79Å; I1246-I1250 WeakPolarHBondContact O-CD1 3.5Å; I1246-I1250 VanDerWaalsContact O-CG1 3.26Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.33Å; I1246-I1250 PolarHBondContact O-N 2.67Å; I1246-V1273 HydrophobicContact CB-CG1 4.49Å; I1246-V1273 HydrophobicContact CD1-CB 4.29Å; I1246-V1273 HydrophobicContact CD1-CG1 3.84Å; I1246-V1273 HydrophobicContact CG2-CG1 3.96Å; I1246-E1274 HydrophobicContact CD1-CG 4.12Å; I1246-V1277 HydrophobicContact CD1-CG2 4.05Å
1247I95.8Very high91.6Very high5 Ų513.9 Ų13.93%0.0268%0.082CC..Hα-helixtrans-60.4-45.6175.2-70.1170000110.9P1187 F1190 R1243 Q1244 I1250 H1251P1187-I1247 HydrophobicContact CG-CG2 4.06Å; F1190-I1247 HydrophobicContact CD2-CG2 4.08Å; F1190-I1247 HydrophobicContact CE2-CB 4.41Å; F1190-I1247 HydrophobicContact CE2-CG2 3.82Å; F1190-I1247 HydrophobicContact CZ-CG1 4.3Å; F1190-I1247 HydrophobicContact CZ-CG2 4.2Å; R1243-I1247 HydrophobicContact CG-CD1 4.06Å; R1243-I1247 WeakPolarHBondContact O-CG1 3.45Å; R1243-I1247 PolarHBondContact O-N 2.77Å; Q1244-I1247 PolarHBondContact O-N 3.49Å; I1247-I1250 PolarHBondContact O-N 3.11Å; I1247-H1251 WeakPolarHBondContact O-CB 3.44Å; I1247-H1251 PolarHBondContact O-N 2.85Å
1248E94.8Very high91.3Very high17 Ų1717 Ų178%0.07910%0.097CC..Hα-helixtrans-59.1-45.7175.4-78.2172.6-144.900111.5R1177 Q1244 L1245 I1246 H1251 V1252 T1349 M1350 M1353R1177-E1248 IonicContact CZ-OE1 2.7Å; R1177-E1248 IonicContact CZ-OE2 3.85Å; R1177-E1248 IonicContact NE-OE1 3.42Å; R1177-E1248 PolarHBondContact NE-OE1 3.36Å; R1177-E1248 IonicContact NE-OE2 3.84Å; R1177-E1248 PolarHBondContact NE-OE2 3.48Å; R1177-E1248 IonicContact NH2-OE1 2.67Å; R1177-E1248 IonicContact NH2-OE2 3.77Å; R1177-E1248 PolarHBondContact NH2-OE2 3.49Å; Q1244-E1248 WeakPolarHBondContact O-CB 3.24Å; Q1244-E1248 WeakPolarHBondContact O-CG 3.33Å; Q1244-E1248 PolarHBondContact O-N 3.14Å; L1245-E1248 PolarHBondContact O-N 3.38Å; I1246-E1248 PolarHBondContact O-N 3.27Å; E1248-H1251 WeakPolarHBondContact O-CB 3.4Å; E1248-H1251 PolarHBondContact O-N 3.48Å; E1248-V1252 WeakPolarHBondContact O-CG2 3.43Å; E1248-V1252 PolarHBondContact O-N 3.1Å; E1248-T1349 PolarHBondContact OE2-OG1 2.66Å; E1248-M1350 HydrophobicContact CB-SD 3.72Å; E1248-M1350 HydrophobicContact CG-SD 4.07Å; E1248-M1353 HydrophobicContact CB-CE 3.91Å; E1248-M1353 HydrophobicContact CB-SD 3.94Å
1249A95.8Very high91.2Very high0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-64.2-45.5179.300000112.4L1245 I1246 H1251 V1252 L1253 V1273 I1276 V1277 M1353L1245-A1249 WeakPolarHBondContact O-CB 3.42Å; L1245-A1249 PolarHBondContact O-N 3.44Å; I1246-A1249 PolarHBondContact O-N 3.45Å; A1249-H1251 VanDerWaalsContact C-N 3.27Å; A1249-H1251 PolarHBondContact O-N 3.38Å; A1249-V1252 PolarHBondContact O-N 3.43Å; A1249-L1253 WeakPolarHBondContact O-CB 3.1Å; A1249-L1253 PolarHBondContact O-N 3.37Å; A1249-V1273 HydrophobicContact CB-CG1 3.9Å; A1249-I1276 HydrophobicContact CB-CG2 4.28Å; A1249-V1277 HydrophobicContact CB-CG2 3.81Å; A1249-M1353 VanDerWaalsContact CA-SD 3.59Å; A1249-M1353 HydrophobicContact CB-CE 4.28Å; A1249-M1353 HydrophobicContact CB-SD 3.98Å
1250I95.6Very high90.7Very high4 Ų416.3 Ų16.32%0.0218%0.083CC..Hα-helixtrans-62-39.3174.5-66.9164.2000110.3F1190 V1194 L1204 I1206 I1246 I1247 L1253 G1254 V1273F1190-I1250 HydrophobicContact CE2-CB 3.95Å; F1190-I1250 HydrophobicContact CE2-CG2 3.67Å; F1190-I1250 HydrophobicContact CZ-CB 4.34Å; F1190-I1250 HydrophobicContact CZ-CD1 4.44Å; F1190-I1250 HydrophobicContact CZ-CG2 3.96Å; V1194-I1250 HydrophobicContact CG2-CG2 3.57Å; L1204-I1250 HydrophobicContact CD1-CG2 4.4Å; I1206-I1250 HydrophobicContact CD1-CD1 3.62Å; I1206-I1250 HydrophobicContact CG1-CD1 4.43Å; I1246-I1250 HydrophobicContact CG2-CD1 3.79Å; I1246-I1250 WeakPolarHBondContact O-CD1 3.5Å; I1246-I1250 VanDerWaalsContact O-CG1 3.26Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.33Å; I1246-I1250 PolarHBondContact O-N 2.67Å; I1247-I1250 PolarHBondContact O-N 3.11Å; I1250-L1253 PolarHBondContact O-N 3.04Å; I1250-G1254 PolarHBondContact O-N 2.99Å; I1250-V1273 HydrophobicContact CD1-CG1 4.34Å; I1250-V1273 HydrophobicContact CD1-CG2 4.19Å; I1250-V1273 HydrophobicContact CG1-CB 4.47Å; I1250-V1273 HydrophobicContact CG1-CG1 3.8Å; I1250-V1273 HydrophobicContact CG1-CG2 3.81Å
1251H93.1Very high89.8Confident28 Ų2821.6 Ų21.613%0.1311%0.114CC..Hα-helixtrans-64.4-42.3178-171.586.8000112.1P1187 F1190 R1193 I1247 E1248 A1249 S1255P1187-H1251 WeakPolarHBondContact CB-CE1 3.03Å; F1190-H1251 HydrophobicContact CD2-CB 4.38Å; R1193-H1251 PolarHBondContact NH1-CE1 3.05Å; R1193-H1251 PolarHBondContact NH1-NE2 3.4Å; I1247-H1251 WeakPolarHBondContact O-CB 3.44Å; I1247-H1251 PolarHBondContact O-N 2.85Å; E1248-H1251 WeakPolarHBondContact O-CB 3.4Å; E1248-H1251 PolarHBondContact O-N 3.48Å; A1249-H1251 VanDerWaalsContact C-N 3.27Å; A1249-H1251 PolarHBondContact O-N 3.38Å; H1251-S1255 WeakPolarHBondContact O-CB 3.47Å; H1251-S1255 PolarHBondContact O-N 3.14Å; H1251-S1255 PolarHBondContact O-OG 2.89Å
1252V92.2Very high88.8Confident14 Ų1426.2 Ų26.29%0.08514%0.139CC..Hα-helixtrans-61.1-50.6173.1172.40000110.8E1248 A1249 G1254 S1255 L1256 M1350 M1353 V1354 V1357E1248-V1252 WeakPolarHBondContact O-CG2 3.43Å; E1248-V1252 PolarHBondContact O-N 3.1Å; A1249-V1252 PolarHBondContact O-N 3.43Å; V1252-G1254 PolarHBondContact O-N 2.69Å; V1252-S1255 WeakPolarHBondContact O-CB 3.41Å; V1252-S1255 PolarHBondContact O-N 3.43Å; V1252-S1255 VanDerWaalsContact O-N 3.15Å; V1252-L1256 PolarHBondContact O-N 3.24Å; V1252-L1256 VanDerWaalsContact O-N 3.15Å; V1252-M1350 HydrophobicContact CG2-CB 4.23Å; V1252-M1350 HydrophobicContact CG2-CE 3.22Å; V1252-M1350 HydrophobicContact CG2-CG 4.48Å; V1252-M1350 HydrophobicContact CG2-SD 3.46Å; V1252-M1350 WeakPolarHBondContact CG2-SD 3.09Å; V1252-M1353 HydrophobicContact CB-CB 4.32Å; V1252-M1353 HydrophobicContact CG1-CB 4.32Å; V1252-M1353 HydrophobicContact CG2-CB 3.99Å; V1252-M1353 HydrophobicContact CG2-SD 4.35Å; V1252-V1354 HydrophobicContact CG1-CB 4.32Å; V1252-V1354 HydrophobicContact CG1-CG2 3.5Å; V1252-V1357 HydrophobicContact CG1-CG2 4.38Å
1253L91.4Very high87.8Confident1 Ų131.2 Ų31.21%0.00517%0.167CC..Hα-helixtrans-58.9-47.1-178.8179.162.5000111.5T1197 M1201 L1204 A1249 I1250 S1255 L1256 M1257 I1276 V1357T1197-L1253 HydrophobicContact CG2-CD2 3.95Å; T1197-L1253 HydrophobicContact CG2-CG 4Å; M1201-L1253 HydrophobicContact CE-CD2 3.96Å; L1204-L1253 HydrophobicContact CD2-CD2 3.75Å; A1249-L1253 WeakPolarHBondContact O-CB 3.1Å; A1249-L1253 PolarHBondContact O-N 3.37Å; I1250-L1253 PolarHBondContact O-N 3.04Å; L1253-S1255 VanDerWaalsContact C-N 3.32Å; L1253-S1255 PolarHBondContact O-N 2.76Å; L1253-L1256 WeakPolarHBondContact O-CB 3.15Å; L1253-L1256 PolarHBondContact O-N 3.06Å; L1253-M1257 HydrophobicContact CD1-CE 3.98Å; L1253-M1257 PolarHBondContact O-N 3.31Å; L1253-I1276 HydrophobicContact CD2-CD1 4.17Å; L1253-V1357 HydrophobicContact CB-CG2 4.44Å; L1253-V1357 HydrophobicContact CD1-CG1 3.87Å; L1253-V1357 HydrophobicContact CD1-CG2 4.29Å
1254G89.9Confident86.9Confident0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-67.7-31.4177.200000113.4T1197 I1250 V1252 L1256 M1257 M1258T1197-G1254 WeakPolarHBondContact OG1-CA 3.4Å; I1250-G1254 PolarHBondContact O-N 2.99Å; V1252-G1254 PolarHBondContact O-N 2.69Å; G1254-L1256 VanDerWaalsContact C-N 3.28Å; G1254-L1256 PolarHBondContact O-N 3.42Å; G1254-M1257 PolarHBondContact O-N 3.19Å; G1254-M1258 WeakPolarHBondContact O-CB 3.32Å; G1254-M1258 WeakPolarHBondContact O-CG 3.26Å; G1254-M1258 PolarHBondContact O-N 2.77Å
1255S87.8Confident86.1Confident27 Ų2734 Ų3419%0.18918%0.176CC..Hα-helixtrans-63.9-35.2174.3-57.20000112R1193 H1251 V1252 L1253 H1259R1193-S1255 PolarHBondContact NH1-OG 2.95Å; H1251-S1255 WeakPolarHBondContact O-CB 3.47Å; H1251-S1255 PolarHBondContact O-N 3.14Å; H1251-S1255 PolarHBondContact O-OG 2.89Å; V1252-S1255 WeakPolarHBondContact O-CB 3.41Å; V1252-S1255 PolarHBondContact O-N 3.43Å; V1252-S1255 VanDerWaalsContact O-N 3.15Å; L1253-S1255 VanDerWaalsContact C-N 3.32Å; L1253-S1255 PolarHBondContact O-N 2.76Å; S1255-H1259 PolarHBondContact O-N 3.03Å; S1255-H1259 PolarHBondContact O-ND1 2.88Å
1256L86.2Confident85.5Confident30 Ų3039 Ų3916%0.15720%0.199CC..Hα-helixtrans-63.4-48172.9176.963.5000111.4V1252 L1253 G1254 M1258 H1259 D1260 I1265 V1357 L1361 I1375V1252-L1256 PolarHBondContact O-N 3.24Å; V1252-L1256 VanDerWaalsContact O-N 3.15Å; L1253-L1256 WeakPolarHBondContact O-CB 3.15Å; L1253-L1256 PolarHBondContact O-N 3.06Å; G1254-L1256 VanDerWaalsContact C-N 3.28Å; G1254-L1256 PolarHBondContact O-N 3.42Å; L1256-M1258 PolarHBondContact O-N 3.26Å; L1256-H1259 PolarHBondContact O-N 3.45Å; L1256-H1259 VanDerWaalsContact O-N 3.15Å; L1256-D1260 PolarHBondContact O-N 2.68Å; L1256-I1265 HydrophobicContact CD1-CD1 4.26Å; L1256-I1265 HydrophobicContact CD2-CD1 4.18Å; L1256-I1265 HydrophobicContact CG-CD1 4.05Å; L1256-V1357 HydrophobicContact CD2-CG1 3.81Å; L1256-L1361 HydrophobicContact CD2-CD1 3.41Å; L1256-L1361 VanDerWaalsContact CD2-CD1 3.41Å; L1256-I1375 HydrophobicContact CD1-CD1 3.83Å; L1256-I1375 HydrophobicContact CD1-CG1 4.23Å; L1256-I1375 HydrophobicContact CD1-CG2 4.29Å
1257M86.6Confident84.9Confident2 Ų239 Ų391%0.0120%0.199CC..Hα-helixtrans-64-40-178.8-56.3-58.5133.500112I1196 H1200 L1253 G1254 H1259 D1260 I1265 I1267I1196-M1257 HydrophobicContact CG2-CB 4.08Å; H1200-M1257 HydrophobicContact CB-CG 4.22Å; H1200-M1257 HydrophobicContact CB-SD 3.65Å; L1253-M1257 HydrophobicContact CD1-CE 3.98Å; L1253-M1257 PolarHBondContact O-N 3.31Å; G1254-M1257 PolarHBondContact O-N 3.19Å; M1257-H1259 PolarHBondContact O-N 3.26Å; M1257-H1259 VanDerWaalsContact O-N 3.15Å; M1257-D1260 PolarHBondContact O-N 3.15Å; M1257-D1260 VanDerWaalsContact O-N 3.07Å; M1257-I1265 HydrophobicContact CE-CD1 4.39Å; M1257-I1265 HydrophobicContact CE-CG2 3.81Å; M1257-I1265 HydrophobicContact SD-CB 4.19Å; M1257-I1265 HydrophobicContact SD-CG2 3.89Å; M1257-I1267 HydrophobicContact CE-CD1 4.46Å
1258M82.2Confident84.3Confident82 Ų8244.8 Ų44.840%0.40423%0.23SC..Hα-helixtrans-56.7-28.9174.7-72.6-74.9-43.100114R1193 I1196 G1254 L1256R1193-M1258 HydrophobicContact CB-CG 4.44Å; R1193-M1258 HydrophobicContact CG-CG 3.92Å; R1193-M1258 HydrophobicContact CG-SD 4.14Å; I1196-M1258 HydrophobicContact CB-SD 4.06Å; I1196-M1258 HydrophobicContact CD1-CE 3.96Å; I1196-M1258 HydrophobicContact CD1-SD 3.12Å; I1196-M1258 WeakPolarHBondContact CD1-SD 3.29Å; I1196-M1258 HydrophobicContact CG1-SD 4.12Å; I1196-M1258 HydrophobicContact CG2-CG 4.47Å; I1196-M1258 HydrophobicContact CG2-SD 4.15Å; G1254-M1258 WeakPolarHBondContact O-CB 3.32Å; G1254-M1258 WeakPolarHBondContact O-CG 3.26Å; G1254-M1258 PolarHBondContact O-N 2.77Å; L1256-M1258 PolarHBondContact O-N 3.26Å
1259H81.2Confident83.9Confident84 Ų8445.9 Ų45.939%0.38924%0.238SC..THydrogen-bonded Turntrans-98.5-2.8-179.2-68.187.7000112.9S1255 L1256 M1257 V1261S1255-H1259 PolarHBondContact O-N 3.03Å; S1255-H1259 PolarHBondContact O-ND1 2.88Å; L1256-H1259 PolarHBondContact O-N 3.45Å; L1256-H1259 VanDerWaalsContact O-N 3.15Å; M1257-H1259 PolarHBondContact O-N 3.26Å; M1257-H1259 VanDerWaalsContact O-N 3.15Å; H1259-V1261 PolarHBondContact O-N 3.02Å
1260D78.6Confident83.6Confident6 Ų649.6 Ų49.63%0.03226%0.258CS..  trans-83.268.6171.7-17536.8000110.4H1200 L1256 M1257 D1262 N1263 R1264 I1265H1200-D1260 IonicContact CE1-OD2 3.26Å; L1256-D1260 PolarHBondContact O-N 2.68Å; M1257-D1260 PolarHBondContact O-N 3.15Å; M1257-D1260 VanDerWaalsContact O-N 3.07Å; D1260-D1262 PolarHBondContact O-N 2.97Å; D1260-N1263 PolarHBondContact O-N 3.26Å; D1260-N1263 VanDerWaalsContact OD2-C 3.29Å; D1260-N1263 WeakPolarHBondContact OD2-CA 3.35Å; D1260-R1264 PolarHBondContact OD1-N 2.75Å; D1260-R1264 IonicContact OD1-NE 3.63Å; D1260-R1264 IonicContact OD1-NH2 3.29Å; D1260-R1264 PolarHBondContact OD2-N 2.96Å; D1260-I1265 HydrophobicContact CB-CD1 4.16Å; D1260-I1265 HydrophobicContact CB-CG1 4.42Å; D1260-I1265 WeakPolarHBondContact OD2-CB 3.47Å; D1260-I1265 WeakPolarHBondContact OD2-CG1 3.03Å; D1260-I1265 PolarHBondContact OD2-N 3.29Å
1261V70.1Confident83.4Confident122 Ų12249.6 Ų49.674%0.73926%0.258SS*.THydrogen-bonded Turntrans-54.2-29.6-175.3-176.70000112.8H1259H1259-V1261 PolarHBondContact O-N 3.02Å
1262D70.7Confident83.4Confident101 Ų10152.1 Ų52.154%0.5427%0.269SS..THydrogen-bonded Turntrans-93.17.5-177.3-61-52.6000113.6D1260 R1264D1260-D1262 PolarHBondContact O-N 2.97Å; D1262-R1264 HydrophobicContact CB-CG 3.92Å; D1262-R1264 PolarHBondContact O-N 3.46Å; D1262-R1264 VanDerWaalsContact O-N 3.14Å; D1262-R1264 IonicContact OD2-CZ 3.95Å; D1262-R1264 VanDerWaalsContact OD2-CZ 3.22Å; D1262-R1264 IonicContact OD2-NH1 3.48Å; D1262-R1264 PolarHBondContact OD2-NH1 3.12Å; D1262-R1264 IonicContact OD2-NH2 3.5Å; D1262-R1264 PolarHBondContact OD2-NH2 3.03Å
1263N72.8Confident83.6Confident115 Ų11551.5 Ų51.562%0.61526%0.264SS*.  trans46.541.7-177.8-63.4-30.6000113.9H1200 D1260H1200-N1263 PolarHBondContact CE1-OD1 3.17Å; H1200-N1263 PolarHBondContact NE2-OD1 3.47Å; D1260-N1263 PolarHBondContact O-N 3.26Å; D1260-N1263 VanDerWaalsContact OD2-C 3.29Å; D1260-N1263 WeakPolarHBondContact OD2-CA 3.35Å
1264R74.2Confident83.7Confident73 Ų7352.1 Ų52.128%0.27527%0.268SS..  trans-80.3-23.8-178.9-69.8-178.4-65.6-110.3-19.4113.1D1260 D1262 P1374D1260-R1264 PolarHBondContact OD1-N 2.75Å; D1260-R1264 IonicContact OD1-NE 3.63Å; D1260-R1264 IonicContact OD1-NH2 3.29Å; D1260-R1264 PolarHBondContact OD2-N 2.96Å; D1262-R1264 HydrophobicContact CB-CG 3.92Å; D1262-R1264 PolarHBondContact O-N 3.46Å; D1262-R1264 VanDerWaalsContact O-N 3.14Å; D1262-R1264 IonicContact OD2-CZ 3.95Å; D1262-R1264 VanDerWaalsContact OD2-CZ 3.22Å; D1262-R1264 IonicContact OD2-NH1 3.48Å; D1262-R1264 PolarHBondContact OD2-NH1 3.12Å; D1262-R1264 IonicContact OD2-NH2 3.5Å; D1262-R1264 PolarHBondContact OD2-NH2 3.03Å; R1264-P1374 VanDerWaalsContact CZ-CD 3.45Å
1265I78.8Confident83.9Confident1 Ų155.8 Ų55.81%0.00529%0.287CS..  trans-90.3116.9-179.5-55.3175.1000108.2H1200 L1256 M1257 D1260 I1267 L1361 F1367 L1373H1200-I1265 PolarHBondContact ND1-O 3.43Å; L1256-I1265 HydrophobicContact CD1-CD1 4.26Å; L1256-I1265 HydrophobicContact CD2-CD1 4.18Å; L1256-I1265 HydrophobicContact CG-CD1 4.05Å; M1257-I1265 HydrophobicContact CE-CD1 4.39Å; M1257-I1265 HydrophobicContact CE-CG2 3.81Å; M1257-I1265 HydrophobicContact SD-CB 4.19Å; M1257-I1265 HydrophobicContact SD-CG2 3.89Å; D1260-I1265 HydrophobicContact CB-CD1 4.16Å; D1260-I1265 HydrophobicContact CB-CG1 4.42Å; D1260-I1265 WeakPolarHBondContact OD2-CB 3.47Å; D1260-I1265 WeakPolarHBondContact OD2-CG1 3.03Å; D1260-I1265 PolarHBondContact OD2-N 3.29Å; I1265-I1267 HydrophobicContact CG2-CG1 4.27Å; I1265-L1361 HydrophobicContact CG2-CD2 3.82Å; I1265-F1367 HydrophobicContact CG1-CE1 4.4Å; I1265-L1373 HydrophobicContact CD1-CD2 3.92Å; I1265-L1373 HydrophobicContact CG1-CD1 4.33Å; I1265-L1373 HydrophobicContact CG1-CD2 3.85Å
1266F81.8Confident84.2Confident107 Ų10754.7 Ų54.747%0.46928%0.279SS..  trans-132.8122.1167.3-172.6-98.9000109.6H1200 D1268H1200-F1266 CarbonylContact O-C 3.56Å; H1200-F1266 WeakPolarHBondContact O-CA 3.16Å; F1266-D1268 HydrophobicContact CD1-CB 4.12Å; F1266-D1268 HydrophobicContact CE1-CB 3.84Å
1267I83.9Confident84.7Confident0 Ų053.3 Ų53.30%027%0.272CS..EExtended strand (participates in β ladder)trans-102.899.1-179.8-53.4178.1000108.1H1200 M1201 Q1202 M1257 I1265 C1269 V1271 L1361H1200-I1267 PolarHBondContact O-N 3.22Å; M1201-I1267 WeakPolarHBondContact CA-O 3.24Å; M1201-I1267 HydrophobicContact CB-CB 3.92Å; M1201-I1267 WeakPolarHBondContact CB-O 3.25Å; M1201-I1267 HydrophobicContact CE-CB 4.32Å; M1201-I1267 HydrophobicContact CE-CD1 3.73Å; Q1202-I1267 PolarHBondContact N-O 2.77Å; M1257-I1267 HydrophobicContact CE-CD1 4.46Å; I1265-I1267 HydrophobicContact CG2-CG1 4.27Å; I1267-C1269 VanDerWaalsContact CG2-SG 3.56Å; I1267-C1269 PolarHBondContact O-N 3.2Å; I1267-V1271 HydrophobicContact CD1-CG2 4.41Å; I1267-V1271 HydrophobicContact CG2-CG2 3.77Å; I1267-L1361 HydrophobicContact CD1-CD2 3.66Å; I1267-L1361 HydrophobicContact CG1-CD2 4Å
1268D82.3Confident85.2Confident127 Ų12756.6 Ų56.668%0.67929%0.287SS*.EExtended strand (participates in β ladder)trans-79.142.1-177-161.727.8000113.2F1266F1266-D1268 HydrophobicContact CD1-CB 4.12Å; F1266-D1268 HydrophobicContact CE1-CB 3.84Å
1269C86.5Confident85.7Confident39 Ų3955.6 Ų55.626%0.26428%0.281SS..EExtended strand (participates in β ladder)trans-151163.8173.368.90000110.7I1267 V1271I1267-C1269 VanDerWaalsContact CG2-SG 3.56Å; I1267-C1269 PolarHBondContact O-N 3.2Å; C1269-V1271 PolarHBondContact O-N 2.91Å
1270I89.7Confident86.5Confident78 Ų7851.6 Ų51.640%0.426%0.262SS..EExtended strand (participates in β ladder)trans-78.2119.9171.8-62.4168000108Q1202 G1203 T1210Q1202-I1270 HydrophobicContact CB-CG1 4.28Å; Q1202-I1270 HydrophobicContact CG-CG1 4.16Å; G1203-I1270 WeakPolarHBondContact O-CA 3.45Å; T1210-I1270 HydrophobicContact CG2-CD1 4.14Å; T1210-I1270 HydrophobicContact CG2-CG1 4.48Å; T1210-I1270 HydrophobicContact CG2-CG2 3.92Å
1271V91.4Very high87.3Confident4 Ų451.5 Ų51.52%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-88.4120.1178.2175.70000109.4M1201 G1203 L1204 S1205 I1267 C1269 I1276 L1360M1201-V1271 HydrophobicContact CE-CB 3.74Å; M1201-V1271 HydrophobicContact CE-CG2 3.35Å; M1201-V1271 HydrophobicContact SD-CB 4.23Å; M1201-V1271 HydrophobicContact SD-CG2 4.3Å; G1203-V1271 PolarHBondContact O-N 3.3Å; L1204-V1271 WeakPolarHBondContact CA-O 3.47Å; L1204-V1271 HydrophobicContact CD2-CB 4.36Å; S1205-V1271 PolarHBondContact N-O 3.07Å; I1267-V1271 HydrophobicContact CD1-CG2 4.41Å; I1267-V1271 HydrophobicContact CG2-CG2 3.77Å; C1269-V1271 PolarHBondContact O-N 2.91Å; V1271-I1276 HydrophobicContact CG1-CD1 3.89Å; V1271-I1276 HydrophobicContact CG1-CG1 4.43Å; V1271-L1360 HydrophobicContact CG1-CD2 3.78Å; V1271-L1360 HydrophobicContact CG2-CD2 4.1Å
1272K93.9Very high88.4Confident82 Ų8249.2 Ų49.236%0.35725%0.245SC..EExtended strand (participates in β ladder)trans-81.6117.7172.4-173.2172.7168.8-128.50109.4E1274 D1275K1272-E1274 VanDerWaalsContact C-N 3.29Å; K1272-E1274 HydrophobicContact CG-CB 4.36Å; K1272-E1274 WeakPolarHBondContact CG-OE2 3.43Å; K1272-E1274 PolarHBondContact O-N 3.43Å; K1272-D1275 WeakPolarHBondContact CD-OD1 3.48Å; K1272-D1275 IonicContact NZ-OD1 3.46Å; K1272-D1275 PolarHBondContact NZ-OD1 3.16Å; K1272-D1275 PolarHBondContact O-N 3.37Å
1273V94.8Very high89.5Confident0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-68.6-32.9-172-178.50000111.3L1204 S1205 I1206 I1246 A1249 I1250 D1275 I1276 V1277L1204-V1273 HydrophobicContact CD2-CG2 4.09Å; S1205-V1273 PolarHBondContact O-N 3.33Å; I1206-V1273 HydrophobicContact CG1-CB 4.34Å; I1206-V1273 HydrophobicContact CG1-CG2 3.97Å; I1246-V1273 HydrophobicContact CB-CG1 4.49Å; I1246-V1273 HydrophobicContact CD1-CB 4.29Å; I1246-V1273 HydrophobicContact CD1-CG1 3.84Å; I1246-V1273 HydrophobicContact CG2-CG1 3.96Å; A1249-V1273 HydrophobicContact CB-CG1 3.9Å; I1250-V1273 HydrophobicContact CD1-CG1 4.34Å; I1250-V1273 HydrophobicContact CD1-CG2 4.19Å; I1250-V1273 HydrophobicContact CG1-CB 4.47Å; I1250-V1273 HydrophobicContact CG1-CG1 3.8Å; I1250-V1273 HydrophobicContact CG1-CG2 3.81Å; V1273-D1275 PolarHBondContact O-N 2.7Å; V1273-I1276 WeakPolarHBondContact O-CB 3.14Å; V1273-I1276 PolarHBondContact O-N 3.24Å; V1273-I1276 VanDerWaalsContact O-N 3.12Å; V1273-V1277 PolarHBondContact O-N 2.82Å
1274E94.6Very high90.6Very high15 Ų1539.5 Ų39.57%0.0719%0.193CC..Hα-helixtrans-57.6-38.5177.4-63.884.117300111.8I1206 G1207 Y1242 I1246 K1272 I1276 V1277 E1278I1206-E1274 WeakPolarHBondContact CA-OE1 3.24Å; G1207-E1274 PolarHBondContact N-OE1 3.16Å; Y1242-E1274 HydrophobicContact CE1-CG 4.36Å; Y1242-E1274 WeakPolarHBondContact OH-CB 3.34Å; Y1242-E1274 WeakPolarHBondContact OH-CG 3.28Å; I1246-E1274 HydrophobicContact CD1-CG 4.12Å; K1272-E1274 VanDerWaalsContact C-N 3.29Å; K1272-E1274 HydrophobicContact CG-CB 4.36Å; K1272-E1274 WeakPolarHBondContact CG-OE2 3.43Å; K1272-E1274 PolarHBondContact O-N 3.43Å; E1274-I1276 VanDerWaalsContact C-N 3.26Å; E1274-I1276 PolarHBondContact O-N 3.33Å; E1274-V1277 PolarHBondContact O-N 3.47Å; E1274-E1278 WeakPolarHBondContact O-CG 3.06Å; E1274-E1278 PolarHBondContact O-N 2.9Å
1275D94.1Very high91.5Very high76 Ų7636.3 Ų36.341%0.40618%0.181SC..Hα-helixtrans-65.6-32.3-178.9-60.1-3.6000111.1K1272 V1273 K1279K1272-D1275 WeakPolarHBondContact CD-OD1 3.48Å; K1272-D1275 IonicContact NZ-OD1 3.46Å; K1272-D1275 PolarHBondContact NZ-OD1 3.16Å; K1272-D1275 PolarHBondContact O-N 3.37Å; V1273-D1275 PolarHBondContact O-N 2.7Å; D1275-K1279 WeakPolarHBondContact O-CB 3.34Å; D1275-K1279 PolarHBondContact O-N 3.29Å
1276I94.7Very high92Very high5 Ų537.9 Ų37.93%0.02619%0.189CC..Hα-helixtrans-64.7-45.6172.6-59.4173.5000110A1249 L1253 V1271 V1273 E1274 K1279 A1280 A1356 V1357 L1360A1249-I1276 HydrophobicContact CB-CG2 4.28Å; L1253-I1276 HydrophobicContact CD2-CD1 4.17Å; V1271-I1276 HydrophobicContact CG1-CD1 3.89Å; V1271-I1276 HydrophobicContact CG1-CG1 4.43Å; V1273-I1276 WeakPolarHBondContact O-CB 3.14Å; V1273-I1276 PolarHBondContact O-N 3.24Å; V1273-I1276 VanDerWaalsContact O-N 3.12Å; E1274-I1276 VanDerWaalsContact C-N 3.26Å; E1274-I1276 PolarHBondContact O-N 3.33Å; I1276-K1279 PolarHBondContact O-N 3.46Å; I1276-A1280 VanDerWaalsContact O-CB 3.24Å; I1276-A1280 WeakPolarHBondContact O-CB 3.34Å; I1276-A1280 PolarHBondContact O-N 2.89Å; I1276-A1356 HydrophobicContact CG2-CB 4.1Å; I1276-V1357 HydrophobicContact CD1-CG2 4.25Å; I1276-V1357 HydrophobicContact CG2-CG2 3.96Å; I1276-L1360 HydrophobicContact CD1-CD2 4.48Å
1277V96.5Very high92.5Very high0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-67.2-44-179.6-178.80000110.9Y1242 L1245 I1246 A1249 V1273 E1274 A1280 N1281 I1334Y1242-V1277 HydrophobicContact CE2-CG1 4.16Å; L1245-V1277 HydrophobicContact CB-CG1 4.26Å; L1245-V1277 HydrophobicContact CD1-CG1 4.05Å; I1246-V1277 HydrophobicContact CD1-CG2 4.05Å; A1249-V1277 HydrophobicContact CB-CG2 3.81Å; V1273-V1277 PolarHBondContact O-N 2.82Å; E1274-V1277 PolarHBondContact O-N 3.47Å; V1277-A1280 PolarHBondContact O-N 2.88Å; V1277-N1281 WeakPolarHBondContact O-CB 3.38Å; V1277-N1281 PolarHBondContact O-N 3.13Å; V1277-I1334 HydrophobicContact CG1-CD1 3.82Å; V1277-I1334 HydrophobicContact CG1-CG1 3.99Å
1278E95.7Very high92.9Very high72 Ų7234.8 Ų34.834%0.33618%0.177SC..Hα-helixtrans-60.7-45.3176.1-73.5-178.1-170.200111.3E1274 N1281 N1282 I1334E1274-E1278 WeakPolarHBondContact O-CG 3.06Å; E1274-E1278 PolarHBondContact O-N 2.9Å; E1278-N1281 WeakPolarHBondContact O-CB 3.07Å; E1278-N1281 PolarHBondContact O-N 2.9Å; E1278-N1282 VanDerWaalsContact O-CG 3.3Å; E1278-N1282 PolarHBondContact O-N 3.13Å; E1278-N1282 PolarHBondContact O-ND2 3.11Å; E1278-I1334 HydrophobicContact CB-CD1 4.45Å; E1278-I1334 HydrophobicContact CG-CD1 4Å
1279K94.3Very high93.3Very high61 Ų6130.2 Ų30.227%0.26515%0.154SC..Hα-helixtrans-65.6-43.2177.2-174.668.7-178.8-160.60112.1D1275 I1276 N1281 N1282 L1283 A1356 E1359D1275-K1279 WeakPolarHBondContact O-CB 3.34Å; D1275-K1279 PolarHBondContact O-N 3.29Å; I1276-K1279 PolarHBondContact O-N 3.46Å; K1279-N1281 VanDerWaalsContact C-N 3.3Å; K1279-N1281 PolarHBondContact O-N 3.37Å; K1279-N1282 WeakPolarHBondContact O-CB 3.46Å; K1279-N1282 PolarHBondContact O-N 3.26Å; K1279-N1282 VanDerWaalsContact O-N 3.13Å; K1279-L1283 WeakPolarHBondContact O-CG 3.39Å; K1279-L1283 PolarHBondContact O-N 2.89Å; K1279-A1356 HydrophobicContact CB-CB 3.98Å; K1279-A1356 HydrophobicContact CG-CB 3.9Å; K1279-E1359 WeakPolarHBondContact CE-OE2 3.29Å; K1279-E1359 IonicContact NZ-OE2 3.76Å; K1279-E1359 PolarHBondContact NZ-OE2 2.75Å
1280A96.7Very high93.3Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-59.5-42.8175.100000111.2I1276 V1277 N1282 L1283 F1284 F1338 M1353 A1356I1276-A1280 VanDerWaalsContact O-CB 3.24Å; I1276-A1280 WeakPolarHBondContact O-CB 3.34Å; I1276-A1280 PolarHBondContact O-N 2.89Å; V1277-A1280 PolarHBondContact O-N 2.88Å; A1280-N1282 PolarHBondContact O-N 3.36Å; A1280-L1283 PolarHBondContact O-N 3.44Å; A1280-F1284 WeakPolarHBondContact O-CB 3.22Å; A1280-F1284 PolarHBondContact O-N 3.34Å; A1280-F1338 HydrophobicContact CB-CZ 3.92Å; A1280-M1353 HydrophobicContact CB-CG 3.99Å; A1280-A1356 HydrophobicContact CB-CB 4.08Å
1281N95.5Very high93.3Very high4 Ų437.9 Ų37.92%0.02118%0.177CC..Hα-helixtrans-61.4-42173.5173.773.2000111.8V1277 E1278 K1279 F1284 L1285 I1334 C1335 F1338V1277-N1281 WeakPolarHBondContact O-CB 3.38Å; V1277-N1281 PolarHBondContact O-N 3.13Å; E1278-N1281 WeakPolarHBondContact O-CB 3.07Å; E1278-N1281 PolarHBondContact O-N 2.9Å; K1279-N1281 VanDerWaalsContact C-N 3.3Å; K1279-N1281 PolarHBondContact O-N 3.37Å; N1281-F1284 WeakPolarHBondContact O-CB 3.37Å; N1281-F1284 PolarHBondContact O-N 3.5Å; N1281-L1285 VanDerWaalsContact O-CG 3.31Å; N1281-L1285 WeakPolarHBondContact O-CG 3.21Å; N1281-L1285 PolarHBondContact O-N 2.93Å; N1281-I1334 HydrophobicContact CB-CD1 3.86Å; N1281-I1334 HydrophobicContact CB-CG2 4.2Å; N1281-C1335 WeakPolarHBondContact OD1-CB 3.37Å; N1281-C1335 PolarHBondContact OD1-N 3.33Å; N1281-F1338 HydrophobicContact CB-CD1 4.27Å; N1281-F1338 HydrophobicContact CB-CG 4.37Å
1282N94Very high93Very high74 Ų7440.3 Ų40.340%0.39620%0.203SC..Hα-helixtrans-63.4-43.5176.3-71.4-32.4000112.5E1278 K1279 A1280 F1284 L1285 I1286E1278-N1282 VanDerWaalsContact O-CG 3.3Å; E1278-N1282 PolarHBondContact O-N 3.13Å; E1278-N1282 PolarHBondContact O-ND2 3.11Å; K1279-N1282 WeakPolarHBondContact O-CB 3.46Å; K1279-N1282 PolarHBondContact O-N 3.26Å; K1279-N1282 VanDerWaalsContact O-N 3.13Å; A1280-N1282 PolarHBondContact O-N 3.36Å; N1282-F1284 VanDerWaalsContact C-N 3.31Å; N1282-F1284 PolarHBondContact O-N 3.31Å; N1282-L1285 PolarHBondContact O-N 3.29Å; N1282-I1286 WeakPolarHBondContact O-CG1 3.34Å; N1282-I1286 PolarHBondContact O-N 3.24Å
1283L93.7Very high92.5Very high8 Ų837.2 Ų37.24%0.04219%0.194CC..Hα-helixtrans-62.6-39.6174.8-69.2174.3000111.9K1279 A1280 I1286 D1287 Y1352 R1355 A1356 E1359K1279-L1283 WeakPolarHBondContact O-CG 3.39Å; K1279-L1283 PolarHBondContact O-N 2.89Å; A1280-L1283 PolarHBondContact O-N 3.44Å; L1283-I1286 PolarHBondContact O-N 2.67Å; L1283-D1287 PolarHBondContact O-N 3.15Å; L1283-Y1352 HydrophobicContact CB-CD1 3.88Å; L1283-Y1352 HydrophobicContact CB-CE1 4.46Å; L1283-R1355 HydrophobicContact CD1-CB 3.61Å; L1283-A1356 HydrophobicContact CD1-CB 4.43Å; L1283-E1359 WeakPolarHBondContact CD2-OE1 3.15Å
1284F94.9Very high92Very high3 Ų342.2 Ų42.21%0.01322%0.221CC..Hα-helixtrans-58.6-49.2170.7164-100.2000111.2A1280 N1281 N1282 I1286 D1287 Q1288 A1295 R1337 F1338 T1341 Y1352A1280-F1284 WeakPolarHBondContact O-CB 3.22Å; A1280-F1284 PolarHBondContact O-N 3.34Å; N1281-F1284 WeakPolarHBondContact O-CB 3.37Å; N1281-F1284 PolarHBondContact O-N 3.5Å; N1282-F1284 VanDerWaalsContact C-N 3.31Å; N1282-F1284 PolarHBondContact O-N 3.31Å; F1284-I1286 VanDerWaalsContact C-N 3.31Å; F1284-I1286 PolarHBondContact O-N 3.07Å; F1284-D1287 PolarHBondContact O-N 2.99Å; F1284-Q1288 HydrophobicContact CD1-CG 4.1Å; F1284-Q1288 HydrophobicContact CD2-CG 3.84Å; F1284-Q1288 HydrophobicContact CE1-CG 3.81Å; F1284-Q1288 VanDerWaalsContact CE2-CD 3.47Å; F1284-Q1288 HydrophobicContact CE2-CG 3.56Å; F1284-Q1288 VanDerWaalsContact CE2-NE2 3.28Å; F1284-Q1288 HydrophobicContact CG-CG 4.12Å; F1284-Q1288 HydrophobicContact CZ-CG 3.54Å; F1284-Q1288 WeakPolarHBondContact O-CB 3.29Å; F1284-Q1288 WeakPolarHBondContact O-CG 3.38Å; F1284-Q1288 PolarHBondContact O-N 3Å; F1284-A1295 HydrophobicContact CE1-CB 3.76Å; F1284-A1295 HydrophobicContact CZ-CB 4.09Å; F1284-R1337 HydrophobicContact CE1-CB 4.22Å; F1284-R1337 HydrophobicContact CZ-CB 4.03Å; F1284-F1338 HydrophobicContact CB-CD2 3.61Å; F1284-F1338 HydrophobicContact CB-CE2 3.82Å; F1284-F1338 HydrophobicContact CD1-CB 3.99Å; F1284-F1338 AromaticContact CD1-CD2 3.78Å; F1284-F1338 HydrophobicContact CD1-CD2 3.78Å; F1284-F1338 HydrophobicContact CD1-CG 4.33Å; F1284-F1338 AromaticContact CD2-CD2 3.98Å; F1284-F1338 HydrophobicContact CD2-CD2 3.98Å; F1284-F1338 HydrophobicContact CE1-CB 4.02Å; F1284-F1338 HydrophobicContact CE1-CD2 4.41Å; F1284-F1338 AromaticContact CG-CD2 3.53Å; F1284-F1338 HydrophobicContact CG-CD2 3.53Å; F1284-F1338 HydrophobicContact CG-CE2 4.19Å; F1284-F1338 HydrophobicContact CG-CG 4.49Å; F1284-T1341 WeakPolarHBondContact CE2-OG1 3.18Å; F1284-Y1352 VanDerWaalsContact CA-CE1 3.44Å; F1284-Y1352 HydrophobicContact CB-CD1 4.12Å; F1284-Y1352 HydrophobicContact CB-CD2 3.98Å; F1284-Y1352 HydrophobicContact CB-CE1 4.08Å; F1284-Y1352 HydrophobicContact CB-CE2 3.94Å; F1284-Y1352 HydrophobicContact CB-CG 4.07Å; F1284-Y1352 HydrophobicContact CD2-CD2 4.27Å; F1284-Y1352 AromaticContact CD2-CE2 3.66Å; F1284-Y1352 HydrophobicContact CD2-CE2 3.66Å; F1284-Y1352 HydrophobicContact CG-CE2 4.3Å
1285L93Very high91.6Very high7 Ų741.5 Ų41.54%0.03722%0.217CC..Hα-helixtrans-61.1-39.1-180-66.7176.5000112.4N1281 N1282 Q1288 V1289 A1295 C1299 A1300 I1303 C1335N1281-L1285 VanDerWaalsContact O-CG 3.31Å; N1281-L1285 WeakPolarHBondContact O-CG 3.21Å; N1281-L1285 PolarHBondContact O-N 2.93Å; N1282-L1285 PolarHBondContact O-N 3.29Å; L1285-Q1288 WeakPolarHBondContact O-CB 3.24Å; L1285-Q1288 PolarHBondContact O-N 3.47Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.48Å; L1285-V1289 PolarHBondContact O-N 2.68Å; L1285-A1295 HydrophobicContact CD2-CB 3.75Å; L1285-C1299 HydrophobicContact CD1-CB 3.92Å; L1285-C1299 HydrophobicContact CD2-CB 3.71Å; L1285-C1299 HydrophobicContact CG-CB 4.5Å; L1285-A1300 HydrophobicContact CB-CB 4.2Å; L1285-A1300 HydrophobicContact CD2-CB 3.92Å; L1285-I1303 HydrophobicContact CB-CD1 3.81Å; L1285-I1303 HydrophobicContact CD1-CD1 4.38Å; L1285-C1335 HydrophobicContact CD2-CB 4.01Å
1286I91.1Very high91.1Very high33 Ų3338.8 Ų38.817%0.16920%0.203CC..Hα-helixtrans-62.7-49175.2-67165000110.8N1282 L1283 F1284 Q1288 V1289 K1290 L1311N1282-I1286 WeakPolarHBondContact O-CG1 3.34Å; N1282-I1286 PolarHBondContact O-N 3.24Å; L1283-I1286 PolarHBondContact O-N 2.67Å; F1284-I1286 VanDerWaalsContact C-N 3.31Å; F1284-I1286 PolarHBondContact O-N 3.07Å; I1286-Q1288 VanDerWaalsContact C-N 3.27Å; I1286-Q1288 PolarHBondContact O-N 3.41Å; I1286-V1289 WeakPolarHBondContact O-CB 3.22Å; I1286-V1289 PolarHBondContact O-N 2.83Å; I1286-V1289 VanDerWaalsContact O-N 3.11Å; I1286-K1290 PolarHBondContact O-N 3.17Å; I1286-L1311 HydrophobicContact CD1-CD1 3.53Å; I1286-L1311 HydrophobicContact CD1-CG 3.93Å
1287D91.9Very high90.6Very high14 Ų1444 Ų448%0.07523%0.231CC..Hα-helixtrans-62-36.9176.8-84.117.6000111.7L1283 F1284 V1289 K1290 Y1291 Y1352 R1355L1283-D1287 PolarHBondContact O-N 3.15Å; F1284-D1287 PolarHBondContact O-N 2.99Å; D1287-V1289 VanDerWaalsContact C-N 3.32Å; D1287-V1289 PolarHBondContact O-N 2.96Å; D1287-K1290 PolarHBondContact O-N 3.36Å; D1287-Y1291 HydrophobicContact CB-CD2 4.3Å; D1287-Y1291 WeakPolarHBondContact O-CB 3.5Å; D1287-Y1291 VanDerWaalsContact O-CD2 3.27Å; D1287-Y1291 WeakPolarHBondContact O-CD2 3.27Å; D1287-Y1291 PolarHBondContact O-N 3.2Å; D1287-Y1352 HydrophobicContact CB-CE1 4.02Å; D1287-Y1352 WeakPolarHBondContact CB-OH 3.39Å; D1287-Y1352 WeakPolarHBondContact OD2-CE1 3.27Å; D1287-Y1352 PolarHBondContact OD2-OH 2.92Å; D1287-R1355 IonicContact OD1-CZ 3.65Å; D1287-R1355 IonicContact OD1-NH1 2.63Å; D1287-R1355 PolarHBondContact OD1-NH1 3.43Å; D1287-R1355 IonicContact OD1-NH2 3.04Å; D1287-R1355 PolarHBondContact OD1-NH2 2.86Å; D1287-R1355 VanDerWaalsContact OD1-NH2 3.14Å; D1287-R1355 IonicContact OD2-CZ 2.89Å; D1287-R1355 IonicContact OD2-NH1 2.64Å; D1287-R1355 PolarHBondContact OD2-NH1 3.45Å; D1287-R1355 IonicContact OD2-NH2 3.14Å
1288Q92Very high90Very high28 Ų2844.6 Ų44.613%0.13124%0.235CC..Hα-helixtrans-62.9-38.6175.1-67.9-76.6-57.900111F1284 L1285 I1286 G1292 G1293 A1295 T1296 A1300F1284-Q1288 HydrophobicContact CD1-CG 4.1Å; F1284-Q1288 HydrophobicContact CD2-CG 3.84Å; F1284-Q1288 HydrophobicContact CE1-CG 3.81Å; F1284-Q1288 VanDerWaalsContact CE2-CD 3.47Å; F1284-Q1288 HydrophobicContact CE2-CG 3.56Å; F1284-Q1288 VanDerWaalsContact CE2-NE2 3.28Å; F1284-Q1288 HydrophobicContact CG-CG 4.12Å; F1284-Q1288 HydrophobicContact CZ-CG 3.54Å; F1284-Q1288 WeakPolarHBondContact O-CB 3.29Å; F1284-Q1288 WeakPolarHBondContact O-CG 3.38Å; F1284-Q1288 PolarHBondContact O-N 3Å; L1285-Q1288 WeakPolarHBondContact O-CB 3.24Å; L1285-Q1288 PolarHBondContact O-N 3.47Å; I1286-Q1288 VanDerWaalsContact C-N 3.27Å; I1286-Q1288 PolarHBondContact O-N 3.41Å; Q1288-G1292 CarbonylContact O-C 3.48Å; Q1288-G1292 WeakPolarHBondContact O-CA 3.43Å; Q1288-G1292 PolarHBondContact O-N 3.17Å; Q1288-G1293 PolarHBondContact O-N 3.49Å; Q1288-G1293 VanDerWaalsContact OE1-CA 3.26Å; Q1288-A1295 HydrophobicContact CB-CB 3.77Å; Q1288-A1295 HydrophobicContact CG-CB 3.62Å; Q1288-T1296 WeakPolarHBondContact O-CG2 3.44Å; Q1288-A1300 HydrophobicContact CB-CB 4.4Å
1289V90Very high89.5Confident32 Ų3241.9 Ų41.919%0.19422%0.223CC..Hα-helixtrans-65.2-48.1171.7176.80000110.9L1285 I1286 D1287 Y1291 G1292 T1296 A1300 I1303 K1304L1285-V1289 WeakPolarHBondContact O-CG2 3.48Å; L1285-V1289 PolarHBondContact O-N 2.68Å; I1286-V1289 WeakPolarHBondContact O-CB 3.22Å; I1286-V1289 PolarHBondContact O-N 2.83Å; I1286-V1289 VanDerWaalsContact O-N 3.11Å; D1287-V1289 VanDerWaalsContact C-N 3.32Å; D1287-V1289 PolarHBondContact O-N 2.96Å; V1289-Y1291 VanDerWaalsContact C-N 3.35Å; V1289-Y1291 PolarHBondContact O-N 2.96Å; V1289-G1292 PolarHBondContact O-N 3.09Å; V1289-T1296 HydrophobicContact CG2-CG2 4.22Å; V1289-A1300 HydrophobicContact CG2-CB 3.68Å; V1289-A1300 WeakPolarHBondContact CG2-O 2.76Å; V1289-I1303 HydrophobicContact CG2-CB 4.06Å; V1289-I1303 HydrophobicContact CG2-CG2 4.06Å; V1289-K1304 HydrophobicContact CG1-CB 3.95Å; V1289-K1304 HydrophobicContact CG1-CG 4.21Å; V1289-K1304 HydrophobicContact CG2-CB 4.1Å
1290K87.7Confident89Confident148 Ų14839 Ų3964%0.64321%0.211SC*.Hα-helixtrans-60.5-40.5-176.5-174.8174.1-177.7170.40113.3I1286 D1287I1286-K1290 PolarHBondContact O-N 3.17Å; D1287-K1290 PolarHBondContact O-N 3.36Å
1291Y88.6Confident88.3Confident130 Ų13044 Ų4451%0.5123%0.233SC..THydrogen-bonded Turntrans-102.96.8-177.3-63-68.8000113.6D1287 V1289 G1293 F1347D1287-Y1291 HydrophobicContact CB-CD2 4.3Å; D1287-Y1291 WeakPolarHBondContact O-CB 3.5Å; D1287-Y1291 VanDerWaalsContact O-CD2 3.27Å; D1287-Y1291 WeakPolarHBondContact O-CD2 3.27Å; D1287-Y1291 PolarHBondContact O-N 3.2Å; V1289-Y1291 VanDerWaalsContact C-N 3.35Å; V1289-Y1291 PolarHBondContact O-N 2.96Å; Y1291-G1293 PolarHBondContact O-N 3.38Å; Y1291-F1347 AromaticContact CD2-CE1 3.65Å; Y1291-F1347 HydrophobicContact CD2-CE1 3.65Å; Y1291-F1347 AromaticContact CD2-CZ 3.88Å; Y1291-F1347 HydrophobicContact CD2-CZ 3.88Å; Y1291-F1347 AromaticContact CE2-CE1 3.6Å; Y1291-F1347 HydrophobicContact CE2-CE1 3.6Å; Y1291-F1347 AromaticContact CE2-CZ 3.88Å; Y1291-F1347 HydrophobicContact CE2-CZ 3.88Å; Y1291-F1347 HydrophobicContact CG-CE1 4.47Å; Y1291-F1347 HydrophobicContact CG-CZ 4.29Å
1292G84.6Confident87.4Confident55 Ų5547.4 Ų47.457%0.56726%0.257SS*.THydrogen-bonded Turntrans65.634.7178.900000114.4Q1288 V1289Q1288-G1292 CarbonylContact O-C 3.48Å; Q1288-G1292 WeakPolarHBondContact O-CA 3.43Å; Q1288-G1292 PolarHBondContact O-N 3.17Å; V1289-G1292 PolarHBondContact O-N 3.09Å
1293G85.2Confident86.7Confident16 Ų1645.8 Ų45.817%0.16525%0.248CC..  trans-75.6169.1-178.700000114.8Q1288 Y1291 A1295 T1296Q1288-G1293 PolarHBondContact O-N 3.49Å; Q1288-G1293 VanDerWaalsContact OE1-CA 3.26Å; Y1291-G1293 PolarHBondContact O-N 3.38Å; G1293-A1295 PolarHBondContact O-N 3.11Å; G1293-A1295 VanDerWaalsContact O-N 3.13Å; G1293-T1296 WeakPolarHBondContact O-CB 3.45Å; G1293-T1296 WeakPolarHBondContact O-CG2 3.36Å; G1293-T1296 PolarHBondContact O-N 2.78Å; G1293-T1296 PolarHBondContact O-OG1 3.2Å
1294N83.7Confident85.9Confident106 Ų10651.5 Ų51.557%0.56727%0.272SS*.G310 helixtrans-60.6-25.2-173.1-67.5-18.4000114.4T1296 L1297N1294-T1296 PolarHBondContact O-N 3.3Å; N1294-L1297 WeakPolarHBondContact O-CB 3.48Å; N1294-L1297 WeakPolarHBondContact O-CG 3.48Å; N1294-L1297 PolarHBondContact O-N 2.98Å; N1294-L1297 VanDerWaalsContact O-N 3.14Å
1295A85.4Confident84.9Confident0 Ų058.2 Ų58.20%030%0.303CS..G310 helixtrans-67.7-16.1177.800000112.9F1284 L1285 Q1288 G1293 L1297 C1298 C1299 A1300 R1337F1284-A1295 HydrophobicContact CE1-CB 3.76Å; F1284-A1295 HydrophobicContact CZ-CB 4.09Å; L1285-A1295 HydrophobicContact CD2-CB 3.75Å; Q1288-A1295 HydrophobicContact CB-CB 3.77Å; Q1288-A1295 HydrophobicContact CG-CB 3.62Å; G1293-A1295 PolarHBondContact O-N 3.11Å; G1293-A1295 VanDerWaalsContact O-N 3.13Å; A1295-L1297 PolarHBondContact O-N 3.18Å; A1295-C1298 CarbonylContact O-C 3.41Å; A1295-C1298 PolarHBondContact O-N 3.49Å; A1295-C1299 PolarHBondContact O-N 3.49Å; A1295-A1300 HydrophobicContact CB-CB 4.14Å; A1295-A1300 VanDerWaalsContact O-CB 3.31Å; A1295-A1300 WeakPolarHBondContact O-CB 3.43Å; A1295-A1300 PolarHBondContact O-N 2.85Å; A1295-R1337 HydrophobicContact CB-CB 4.35Å
1296T83.9Confident83.7Confident18 Ų1861 Ų6111%0.1132%0.323CS..G310 helixtrans-64.8-15.8172.262.60000113.6Q1288 V1289 G1293 N1294 C1298 A1300 K1301Q1288-T1296 WeakPolarHBondContact O-CG2 3.44Å; V1289-T1296 HydrophobicContact CG2-CG2 4.22Å; G1293-T1296 WeakPolarHBondContact O-CB 3.45Å; G1293-T1296 WeakPolarHBondContact O-CG2 3.36Å; G1293-T1296 PolarHBondContact O-N 2.78Å; G1293-T1296 PolarHBondContact O-OG1 3.2Å; N1294-T1296 PolarHBondContact O-N 3.3Å; T1296-C1298 VanDerWaalsContact C-N 3.31Å; T1296-A1300 HydrophobicContact CG2-CB 4.26Å; T1296-K1301 WeakPolarHBondContact O-CA 3.32Å; T1296-K1301 VanDerWaalsContact O-CB 3.29Å; T1296-K1301 WeakPolarHBondContact O-CB 3.27Å
1297L83.2Confident82.3Confident116 Ų11662.2 Ų62.261%0.60735%0.345SS*.G310 helixtrans-79.1-14.4172.4-56.5175.2000112.7N1294 A1295N1294-L1297 WeakPolarHBondContact O-CB 3.48Å; N1294-L1297 WeakPolarHBondContact O-CG 3.48Å; N1294-L1297 PolarHBondContact O-N 2.98Å; N1294-L1297 VanDerWaalsContact O-N 3.14Å; A1295-L1297 PolarHBondContact O-N 3.18Å
1298C85.2Confident80.6Confident12 Ų1265.5 Ų65.58%0.08136%0.361CS..THydrogen-bonded Turntrans-135-106.3-178.3580000112.1A1295 T1296 A1300 K1301 T1327 C1328A1295-C1298 CarbonylContact O-C 3.41Å; A1295-C1298 PolarHBondContact O-N 3.49Å; T1296-C1298 VanDerWaalsContact C-N 3.31Å; C1298-A1300 VanDerWaalsContact C-N 3.28Å; C1298-A1300 PolarHBondContact O-N 3.11Å; C1298-K1301 WeakPolarHBondContact O-CB 3.45Å; C1298-K1301 PolarHBondContact O-N 2.84Å; C1298-T1327 WeakPolarHBondContact CA-OG1 3.17Å; C1298-T1327 PolarHBondContact O-OG1 3.38Å; C1298-C1328 HydrophobicContact CB-CB 3.83Å
1299C85Confident78.9Confident14 Ų1469 Ų6910%0.09538%0.384CS..THydrogen-bonded Turntrans-64.9-27.8-170.9-61.90000113.9L1285 A1295 K1301 L1326 T1327 C1328 C1335L1285-C1299 HydrophobicContact CD1-CB 3.92Å; L1285-C1299 HydrophobicContact CD2-CB 3.71Å; L1285-C1299 HydrophobicContact CG-CB 4.5Å; A1295-C1299 PolarHBondContact O-N 3.49Å; C1299-K1301 VanDerWaalsContact C-N 3.32Å; C1299-L1326 HydrophobicContact CB-CD2 4.47Å; C1299-T1327 PolarHBondContact N-OG1 2.8Å; C1299-C1328 PolarHBondContact SG-SG 3.21Å; C1299-C1335 HydrophobicContact CB-CB 4.17Å
1300A84.8Confident76.9Confident0 Ų073.3 Ų73.30%041%0.406CS..THydrogen-bonded Turntrans-85.3-6.1177.400000112.7L1285 Q1288 V1289 A1295 T1296 C1298 I1303 K1304L1285-A1300 HydrophobicContact CB-CB 4.2Å; L1285-A1300 HydrophobicContact CD2-CB 3.92Å; Q1288-A1300 HydrophobicContact CB-CB 4.4Å; V1289-A1300 HydrophobicContact CG2-CB 3.68Å; V1289-A1300 WeakPolarHBondContact CG2-O 2.76Å; A1295-A1300 HydrophobicContact CB-CB 4.14Å; A1295-A1300 VanDerWaalsContact O-CB 3.31Å; A1295-A1300 WeakPolarHBondContact O-CB 3.43Å; A1295-A1300 PolarHBondContact O-N 2.85Å; T1296-A1300 HydrophobicContact CG2-CB 4.26Å; C1298-A1300 VanDerWaalsContact C-N 3.28Å; C1298-A1300 PolarHBondContact O-N 3.11Å; A1300-I1303 PolarHBondContact O-N 3.24Å; A1300-K1304 PolarHBondContact O-N 3.41Å
1301K82Confident75Confident107 Ų10771.5 Ų71.547%0.46540%0.403SS..Hα-helixtrans-61.1-46.9179.7-170.5173.8176.1176.70111.7T1296 C1298 C1299 I1303 K1304 Q1305T1296-K1301 WeakPolarHBondContact O-CA 3.32Å; T1296-K1301 VanDerWaalsContact O-CB 3.29Å; T1296-K1301 WeakPolarHBondContact O-CB 3.27Å; C1298-K1301 WeakPolarHBondContact O-CB 3.45Å; C1298-K1301 PolarHBondContact O-N 2.84Å; C1299-K1301 VanDerWaalsContact C-N 3.32Å; K1301-I1303 VanDerWaalsContact C-N 3.31Å; K1301-I1303 PolarHBondContact O-N 2.93Å; K1301-K1304 WeakPolarHBondContact O-CB 3.09Å; K1301-K1304 PolarHBondContact O-N 2.92Å; K1301-Q1305 WeakPolarHBondContact O-CG 3.27Å; K1301-Q1305 PolarHBondContact O-N 2.71Å
1302S76Confident72.5Confident75 Ų7569.9 Ų69.952%0.52441%0.407SS..Hα-helixtrans-65.2-34.8179-54.50000112.2Q1305 S1306S1302-Q1305 PolarHBondContact O-N 3.39Å; S1302-S1306 WeakPolarHBondContact O-CB 3.38Å; S1302-S1306 PolarHBondContact O-N 3.4Å; S1302-S1306 PolarHBondContact O-OG 3.18Å
1303I79.2Confident70.2Confident40 Ų4073.8 Ų73.821%0.20542%0.422CS..Hα-helixtrans-66.7-47.6175.5-56.9175.1000109.7L1285 V1289 A1300 K1301 Q1305 S1306 G1307L1285-I1303 HydrophobicContact CB-CD1 3.81Å; L1285-I1303 HydrophobicContact CD1-CD1 4.38Å; V1289-I1303 HydrophobicContact CG2-CB 4.06Å; V1289-I1303 HydrophobicContact CG2-CG2 4.06Å; A1300-I1303 PolarHBondContact O-N 3.24Å; K1301-I1303 VanDerWaalsContact C-N 3.31Å; K1301-I1303 PolarHBondContact O-N 2.93Å; I1303-Q1305 VanDerWaalsContact C-N 3.3Å; I1303-Q1305 PolarHBondContact O-N 2.88Å; I1303-S1306 PolarHBondContact O-N 3.28Å; I1303-S1306 VanDerWaalsContact O-N 3.13Å; I1303-S1306 PolarHBondContact O-OG 3.47Å; I1303-G1307 PolarHBondContact O-N 3.17Å
1304K77.5Confident67.7Low127 Ų12777.3 Ų77.355%0.55244%0.444SS*.Hα-helixtrans-56.8-41.3175.3-174.5176.6179.8179.80112.5V1289 A1300 K1301V1289-K1304 HydrophobicContact CG1-CB 3.95Å; V1289-K1304 HydrophobicContact CG1-CG 4.21Å; V1289-K1304 HydrophobicContact CG2-CB 4.1Å; A1300-K1304 PolarHBondContact O-N 3.41Å; K1301-K1304 WeakPolarHBondContact O-CB 3.09Å; K1301-K1304 PolarHBondContact O-N 2.92Å
1305Q73.7Confident65.2Low144 Ų14478.5 Ų78.567%0.67345%0.451SS*.Hα-helixtrans-69.9-33.1177.8-73.4175-19.800113K1301 S1302 I1303 G1307K1301-Q1305 WeakPolarHBondContact O-CG 3.27Å; K1301-Q1305 PolarHBondContact O-N 2.71Å; S1302-Q1305 PolarHBondContact O-N 3.39Å; I1303-Q1305 VanDerWaalsContact C-N 3.3Å; I1303-Q1305 PolarHBondContact O-N 2.88Å; Q1305-G1307 VanDerWaalsContact C-N 3.25Å; Q1305-G1307 PolarHBondContact O-N 3.03Å
1306S66.8Low62.5Low65 Ų6586 Ų8646%0.45549%0.491SS..Hα-helixtrans-74.3-10.117967.20000114.7S1302 I1303 I1308S1302-S1306 WeakPolarHBondContact O-CB 3.38Å; S1302-S1306 PolarHBondContact O-N 3.4Å; S1302-S1306 PolarHBondContact O-OG 3.18Å; I1303-S1306 PolarHBondContact O-N 3.28Å; I1303-S1306 VanDerWaalsContact O-N 3.13Å; I1303-S1306 PolarHBondContact O-OG 3.47Å; S1306-I1308 PolarHBondContact O-N 3.43Å; S1306-I1308 VanDerWaalsContact O-N 3.15Å
1307G62.2Low59.9Low60 Ų6089.7 Ų89.762%0.61952%0.517SS*.THydrogen-bonded Turntrans68.55.5-179.700000115.2I1303 Q1305 T1309I1303-G1307 PolarHBondContact O-N 3.17Å; Q1305-G1307 VanDerWaalsContact C-N 3.25Å; Q1305-G1307 PolarHBondContact O-N 3.03Å; G1307-T1309 PolarHBondContact O-N 3Å
1308I57.1Low57.2Low83 Ų8392.7 Ų92.743%0.42653%0.527SS..  trans-79.3108.4-179.2-57.3172.3000108.9S1306S1306-I1308 PolarHBondContact O-N 3.43Å; S1306-I1308 VanDerWaalsContact O-N 3.15Å
1309T54.8Low54.4Low100 Ų10096.9 Ų96.961%0.61355%0.553SS**  trans-97.1-19.4175.149.40000114G1307G1307-T1309 PolarHBondContact O-N 3Å
1310D47.5Very low51.7Low123 Ų123102 Ų10266%0.65859%0.586SS**  trans-131.9134-177.5-72.2-44.3000111.6T1312D1310-T1312 PolarHBondContact O-N 2.92Å
1311L47.9Very low49.2Very low110 Ų110112.3 Ų112.358%0.57663%0.625SS**  trans-84.190.1165.7-72.5168000107.8I1286I1286-L1311 HydrophobicContact CD1-CD1 3.53Å; I1286-L1311 HydrophobicContact CD1-CG 3.93Å
1312T37.4Very low46.8Very low96 Ų96118.2 Ų118.259%0.58964%0.644SS**  trans-68.6138162.250.90000108.7D1310 S1314D1310-T1312 PolarHBondContact O-N 2.92Å; T1312-S1314 PolarHBondContact O-N 3.29Å
1313P36.2Very low45.1Very low137 Ų137122.4 Ų122.489%0.8966%0.656SS**SBendtrans-76.615.8-178.130-32.3000113.4
1314S32.9Very low43.4Very low90 Ų90125 Ų12563%0.62968%0.677SS**  trans-99.819.7-167.664.90000115.2T1312T1312-S1314 PolarHBondContact O-N 3.29Å
1315N30Very low42.2Very low131 Ų131124.8 Ų124.870%0.70169%0.687SS**  trans-128.6105.4170.8-85.6-21.1000109.5C1317N1315-C1317 PolarHBondContact O-N 2.64Å
1316D28.5Very low41.5Very low158 Ų158119.6 Ų119.685%0.84566%0.663SS**  trans-56.765.5160.1-75.3-45.4000110.8Q1318D1316-Q1318 PolarHBondContact O-N 3.06Å
1317C30.7Very low41.3Very low96 Ų96120.7 Ų120.765%0.64967%0.668SS**  trans-7572.6169.2-78.20000108.7N1315 T1319N1315-C1317 PolarHBondContact O-N 2.64Å; C1317-T1319 PolarHBondContact O-N 3.02Å
1318Q27Very low41.9Very low178 Ų178118.3 Ų118.383%0.83264%0.641SS**  trans-68.233.8159.1-69-173.8-7.100112D1316D1316-Q1318 PolarHBondContact O-N 3.06Å
1319T25.4Very low42.4Very low101 Ų101120.3 Ų120.362%0.6265%0.648SS**SBendtrans-113.6109.6166.441.90000106.7C1317 R1321C1317-T1319 PolarHBondContact O-N 3.02Å; T1319-R1321 VanDerWaalsContact C-N 3.28Å; T1319-R1321 PolarHBondContact O-N 2.82Å
1320P27.8Very low43.1Very low122 Ų122116 Ų11679%0.79262%0.624SS**  trans-58.8105.6165.724.7-28.3000104.6R1322P1320-R1322 VanDerWaalsContact C-N 3.34Å; P1320-R1322 PolarHBondContact O-N 2.8Å
1321R31.7Very low44.6Very low215 Ų215112.5 Ų112.581%0.81161%0.605SS**  trans-51.1111.1167.9-80.9-175.8175.2-175.1-0.6104T1319 Q1323T1319-R1321 VanDerWaalsContact C-N 3.28Å; T1319-R1321 PolarHBondContact O-N 2.82Å; R1321-Q1323 PolarHBondContact O-N 2.96Å
1322R33.6Very low46.3Very low232 Ų232110.9 Ų110.988%0.87559%0.594SS**  trans-34121.5175.6-87.1-179.6170.8-177.9-2.8106.8P1320 S1324P1320-R1322 VanDerWaalsContact C-N 3.34Å; P1320-R1322 PolarHBondContact O-N 2.8Å; R1322-S1324 PolarHBondContact O-N 2.82Å
1323Q39Very low48.6Very low163 Ų163109.8 Ų109.876%0.76259%0.585SS**  trans-4590.3177.4-75.4169.3-27.100108.6R1321 T1325R1321-Q1323 PolarHBondContact O-N 2.96Å; Q1323-T1325 PolarHBondContact O-N 2.72Å
1324S44.4Very low51.2Low93 Ų93103.3 Ų103.365%0.6554%0.543SS*.  trans-79.5113.5174.852.30000103.7R1322 L1326R1322-S1324 PolarHBondContact O-N 2.82Å; S1324-L1326 PolarHBondContact O-N 3.38Å
1325T52.1Low54Low124 Ų12499 Ų9976%0.76151%0.513SS*.  trans-45.2116.2171.338.20000108.4Q1323 T1327Q1323-T1325 PolarHBondContact O-N 2.72Å; T1325-T1327 PolarHBondContact O-N 3.2Å
1326L58.1Low56.7Low34 Ų3494.2 Ų94.218%0.17849%0.486CS..  trans-53.1137.3-177.4-69178.1000109.9C1299 S1324 C1328 H1329 I1334C1299-L1326 HydrophobicContact CB-CD2 4.47Å; S1324-L1326 PolarHBondContact O-N 3.38Å; L1326-C1328 PolarHBondContact O-N 2.92Å; L1326-C1328 VanDerWaalsContact O-N 3.08Å; L1326-H1329 PolarHBondContact O-N 3.42Å; L1326-I1334 WeakPolarHBondContact CD1-O 3.33Å
1327T63.7Low59.6Low89 Ų8989 Ų8955%0.54646%0.455SS..THydrogen-bonded Turntrans-59.4-23.7178.749.60000113.6C1298 C1299 T1325C1298-T1327 WeakPolarHBondContact CA-OG1 3.17Å; C1298-T1327 PolarHBondContact O-OG1 3.38Å; C1299-T1327 PolarHBondContact N-OG1 2.8Å; T1325-T1327 PolarHBondContact O-N 3.2Å
1328C73.1Confident62.6Low10 Ų1084.5 Ų84.57%0.06842%0.424CS..THydrogen-bonded Turntrans-95.54.9176.369.40000114.8C1298 C1299 L1326 G1330 Q1336C1298-C1328 HydrophobicContact CB-CB 3.83Å; C1299-C1328 PolarHBondContact SG-SG 3.21Å; L1326-C1328 PolarHBondContact O-N 2.92Å; L1326-C1328 VanDerWaalsContact O-N 3.08Å; C1328-G1330 PolarHBondContact O-N 3.37Å; C1328-Q1336 HydrophobicContact CB-CB 4.16Å; C1328-Q1336 PolarHBondContact SG-N 3.24Å
1329H69.4Low65.7Low124 Ų12476 Ų7657%0.57438%0.384SS*.  trans53.830.8-175.4-60.8-79.7000114.6T730 L1326 L1331T730-H1329 PolarHBondContact OG1-CD2 3.29Å; L1326-H1329 PolarHBondContact O-N 3.42Å; H1329-L1331 PolarHBondContact O-N 3.17Å
1330G69.4Low68.7Low9 Ų972.6 Ų72.69%0.09336%0.362CS..  trans-65.4134.6177.500000112.1C1328 I1334C1328-G1330 PolarHBondContact O-N 3.37Å; G1330-I1334 CarbonylContact C-O 3.39Å; G1330-I1334 WeakPolarHBondContact CA-O 3.46Å
1331L77.6Confident71.7Confident51 Ų5167.6 Ų67.627%0.26733%0.33SS..G310 helixtrans-66146.6-178.9-71.9167.3000111.4N727 T1239 E1241 H1329 N1333 I1334 Y1339N727-L1331 WeakPolarHBondContact ND2-CD1 3.28Å; T1239-L1331 HydrophobicContact CG2-CD1 4.34Å; E1241-L1331 HydrophobicContact CG-CD1 4.25Å; E1241-L1331 WeakPolarHBondContact OE1-CD1 3.36Å; H1329-L1331 PolarHBondContact O-N 3.17Å; L1331-N1333 PolarHBondContact O-N 2.84Å; L1331-I1334 PolarHBondContact O-N 2.81Å; L1331-I1334 VanDerWaalsContact O-N 3.13Å; L1331-Y1339 HydrophobicContact CB-CE2 4.46Å; L1331-Y1339 PolarHBondContact O-OH 3.34Å
1332H84.6Confident74.6Confident75 Ų7560 Ų6035%0.34731%0.308SS..G310 helixtrans55.334178.8-59-77.4000113.9T1239 Y1242 I1334T1239-H1332 PolarHBondContact OG1-CD2 3.07Å; T1239-H1332 PolarHBondContact OG1-NE2 3.13Å; Y1242-H1332 HydrophobicContact CD1-CB 4.25Å; Y1242-H1332 AromaticContact CD1-CD2 3.34Å; Y1242-H1332 WeakPolarHBondContact CD1-CD2 3.06Å; Y1242-H1332 AromaticContact CD1-CE1 3.94Å; Y1242-H1332 AromaticContact CD1-CG 3.63Å; Y1242-H1332 AromaticContact CD1-NE2 3.55Å; Y1242-H1332 HydrophobicContact CD2-CB 3.92Å; Y1242-H1332 AromaticContact CD2-CD2 3.87Å; Y1242-H1332 HydrophobicContact CE1-CB 4.05Å; Y1242-H1332 AromaticContact CE1-CD2 3.94Å; Y1242-H1332 AromaticContact CE1-CG 3.72Å; Y1242-H1332 AromaticContact CE1-ND1 3.95Å; Y1242-H1332 HydrophobicContact CE2-CB 3.68Å; Y1242-H1332 HydrophobicContact CG-CB 4.18Å; Y1242-H1332 AromaticContact CG-CD2 3.29Å; Y1242-H1332 AromaticContact CG-CG 3.81Å; Y1242-H1332 AromaticContact CG-NE2 3.88Å; Y1242-H1332 AromaticContact CZ-CG 3.95Å; H1332-I1334 PolarHBondContact O-N 3.37Å; H1332-I1334 VanDerWaalsContact O-N 3.11Å
1333N85.9Confident77.2Confident74 Ų7450.6 Ų50.640%0.39628%0.277SS..G310 helixtrans57.323-177-59-45.2000114.5L1331L1331-N1333 PolarHBondContact O-N 2.84Å
1334I91.3Very high79.5Confident0 Ų046.5 Ų46.50%027%0.271CS..  trans-99.9136.2172.9-57.9-52.9000109.5Y1242 L1245 V1277 E1278 N1281 L1326 G1330 L1331 H1332 Q1336 F1338 Y1339Y1242-I1334 HydrophobicContact CE2-CG1 4.06Å; L1245-I1334 HydrophobicContact CD1-CG2 4.22Å; V1277-I1334 HydrophobicContact CG1-CD1 3.82Å; V1277-I1334 HydrophobicContact CG1-CG1 3.99Å; E1278-I1334 HydrophobicContact CB-CD1 4.45Å; E1278-I1334 HydrophobicContact CG-CD1 4Å; N1281-I1334 HydrophobicContact CB-CD1 3.86Å; N1281-I1334 HydrophobicContact CB-CG2 4.2Å; L1326-I1334 WeakPolarHBondContact CD1-O 3.33Å; G1330-I1334 CarbonylContact C-O 3.39Å; G1330-I1334 WeakPolarHBondContact CA-O 3.46Å; L1331-I1334 PolarHBondContact O-N 2.81Å; L1331-I1334 VanDerWaalsContact O-N 3.13Å; H1332-I1334 PolarHBondContact O-N 3.37Å; H1332-I1334 VanDerWaalsContact O-N 3.11Å; I1334-Q1336 PolarHBondContact O-N 3.46Å; I1334-F1338 HydrophobicContact CG2-CB 4.06Å; I1334-F1338 HydrophobicContact CG2-CD1 3.63Å; I1334-F1338 HydrophobicContact CG2-CG 4.26Å; I1334-Y1339 HydrophobicContact CB-CD2 4.42Å; I1334-Y1339 HydrophobicContact CB-CE2 3.63Å; I1334-Y1339 HydrophobicContact CG2-CD2 4.04Å; I1334-Y1339 HydrophobicContact CG2-CE2 3.7Å
1335C91.1Very high81.6Confident0 Ų044.3 Ų44.30%026%0.263CS..  trans-61.7134-179.6-177.30000111.2N1281 L1285 C1299 R1337 F1338 Y1339N1281-C1335 WeakPolarHBondContact OD1-CB 3.37Å; N1281-C1335 PolarHBondContact OD1-N 3.33Å; L1285-C1335 HydrophobicContact CD2-CB 4.01Å; C1299-C1335 HydrophobicContact CB-CB 4.17Å; C1335-R1337 PolarHBondContact O-N 2.87Å; C1335-R1337 VanDerWaalsContact O-N 3.11Å; C1335-F1338 HydrophobicContact CB-CB 4.34Å; C1335-F1338 WeakPolarHBondContact O-CA 3.38Å; C1335-F1338 VanDerWaalsContact O-CB 3.26Å; C1335-F1338 WeakPolarHBondContact O-CB 3.46Å; C1335-F1338 PolarHBondContact O-N 3.14Å; C1335-Y1339 PolarHBondContact O-N 2.95Å
1336Q87.2Confident83.2Confident30 Ų3046 Ų4614%0.1426%0.26CS..Hα-helixtrans-56.2-31.1176.8-172.958.226.600112.8S1174 C1328 I1334 F1338 Y1339 D1340S1174-Q1336 PolarHBondContact OG-NE2 3.08Å; C1328-Q1336 HydrophobicContact CB-CB 4.16Å; C1328-Q1336 PolarHBondContact SG-N 3.24Å; I1334-Q1336 PolarHBondContact O-N 3.46Å; Q1336-F1338 VanDerWaalsContact C-N 3.3Å; Q1336-F1338 PolarHBondContact O-N 3.35Å; Q1336-Y1339 PolarHBondContact O-N 3.08Å; Q1336-D1340 PolarHBondContact O-N 3.38Å
1337R89.5Confident84.6Confident50 Ų5048.3 Ų48.319%0.18927%0.268CS..Hα-helixtrans-71.5-23.7175.3-60.3-57.6-173.9-170.8-1113.2F1284 A1295 C1335 D1340 T1341F1284-R1337 HydrophobicContact CE1-CB 4.22Å; F1284-R1337 HydrophobicContact CZ-CB 4.03Å; A1295-R1337 HydrophobicContact CB-CB 4.35Å; C1335-R1337 PolarHBondContact O-N 2.87Å; C1335-R1337 VanDerWaalsContact O-N 3.11Å; R1337-D1340 PolarHBondContact O-N 2.91Å; R1337-T1341 PolarHBondContact O-N 3.23Å; R1337-T1341 PolarHBondContact O-OG1 3.35Å
1338F93.5Very high85.9Confident0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-72.8-44.5172.5-170.7-108.5000110.7L1245 A1280 N1281 F1284 I1334 C1335 Q1336 D1340 T1341 T1349 Y1352L1245-F1338 HydrophobicContact CD1-CD1 4.18Å; L1245-F1338 HydrophobicContact CD1-CE1 4.31Å; L1245-F1338 HydrophobicContact CD2-CE1 4.44Å; A1280-F1338 HydrophobicContact CB-CZ 3.92Å; N1281-F1338 HydrophobicContact CB-CD1 4.27Å; N1281-F1338 HydrophobicContact CB-CG 4.37Å; F1284-F1338 HydrophobicContact CB-CD2 3.61Å; F1284-F1338 HydrophobicContact CB-CE2 3.82Å; F1284-F1338 HydrophobicContact CD1-CB 3.99Å; F1284-F1338 AromaticContact CD1-CD2 3.78Å; F1284-F1338 HydrophobicContact CD1-CD2 3.78Å; F1284-F1338 HydrophobicContact CD1-CG 4.33Å; F1284-F1338 AromaticContact CD2-CD2 3.98Å; F1284-F1338 HydrophobicContact CD2-CD2 3.98Å; F1284-F1338 HydrophobicContact CE1-CB 4.02Å; F1284-F1338 HydrophobicContact CE1-CD2 4.41Å; F1284-F1338 AromaticContact CG-CD2 3.53Å; F1284-F1338 HydrophobicContact CG-CD2 3.53Å; F1284-F1338 HydrophobicContact CG-CE2 4.19Å; F1284-F1338 HydrophobicContact CG-CG 4.49Å; I1334-F1338 HydrophobicContact CG2-CB 4.06Å; I1334-F1338 HydrophobicContact CG2-CD1 3.63Å; I1334-F1338 HydrophobicContact CG2-CG 4.26Å; C1335-F1338 HydrophobicContact CB-CB 4.34Å; C1335-F1338 WeakPolarHBondContact O-CA 3.38Å; C1335-F1338 VanDerWaalsContact O-CB 3.26Å; C1335-F1338 WeakPolarHBondContact O-CB 3.46Å; C1335-F1338 PolarHBondContact O-N 3.14Å; Q1336-F1338 VanDerWaalsContact C-N 3.3Å; Q1336-F1338 PolarHBondContact O-N 3.35Å; F1338-D1340 PolarHBondContact O-N 3.27Å; F1338-D1340 VanDerWaalsContact O-N 3.11Å; F1338-T1341 WeakPolarHBondContact O-CB 3.26Å; F1338-T1341 PolarHBondContact O-N 3.39Å; F1338-T1349 HydrophobicContact CD1-CG2 4.33Å; F1338-T1349 HydrophobicContact CD2-CG2 4.04Å; F1338-T1349 HydrophobicContact CE1-CG2 4.07Å; F1338-T1349 HydrophobicContact CE2-CG2 3.76Å; F1338-T1349 HydrophobicContact CG-CG2 4.34Å; F1338-T1349 HydrophobicContact CZ-CG2 3.77Å; F1338-T1349 WeakPolarHBondContact O-CG2 3.39Å; F1338-Y1352 AromaticContact CE2-CD2 4Å; F1338-Y1352 HydrophobicContact CE2-CD2 4Å; F1338-Y1352 HydrophobicContact CE2-CG 4.28Å
1339Y90.5Very high86.9Confident0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-56.6-27.2172.3-75.6-75.5000113.6W1173 S1174 R1177 E1241 Y1242 L1245 L1331 I1334 C1335 Q1336W1173-Y1339 CarbonylContact C-O 3.02Å; S1174-Y1339 WeakPolarHBondContact CA-O 3.47Å; S1174-Y1339 PolarHBondContact N-O 3.27Å; R1177-Y1339 PolarHBondContact NH1-O 3.41Å; E1241-Y1339 HydrophobicContact CB-CD1 4.09Å; E1241-Y1339 HydrophobicContact CB-CE1 4.2Å; E1241-Y1339 HydrophobicContact CG-CD1 4.12Å; E1241-Y1339 HydrophobicContact CG-CE1 3.94Å; Y1242-Y1339 HydrophobicContact CD2-CE1 4.37Å; Y1242-Y1339 WeakPolarHBondContact CD2-OH 3.44Å; L1245-Y1339 HydrophobicContact CD1-CD1 3.47Å; L1245-Y1339 VanDerWaalsContact CD1-CD1 3.47Å; L1245-Y1339 HydrophobicContact CD1-CE1 3.28Å; L1245-Y1339 HydrophobicContact CD1-CG 4.28Å; L1245-Y1339 HydrophobicContact CG-CD1 4.04Å; L1245-Y1339 HydrophobicContact CG-CE1 3.99Å; L1331-Y1339 HydrophobicContact CB-CE2 4.46Å; L1331-Y1339 PolarHBondContact O-OH 3.34Å; I1334-Y1339 HydrophobicContact CB-CD2 4.42Å; I1334-Y1339 HydrophobicContact CB-CE2 3.63Å; I1334-Y1339 HydrophobicContact CG2-CD2 4.04Å; I1334-Y1339 HydrophobicContact CG2-CE2 3.7Å; C1335-Y1339 PolarHBondContact O-N 2.95Å; Q1336-Y1339 PolarHBondContact O-N 3.08Å
1340D89.3Confident88.1Confident30 Ų3039.8 Ų39.816%0.1622%0.223CC..THydrogen-bonded Turntrans-98.13.1178.3-162.843.6000114.5S1171 L1172 W1173 S1174 Q1336 R1337 F1338S1171-D1340 VanDerWaalsContact CA-CG 3.44Å; S1171-D1340 WeakPolarHBondContact CA-OD1 3.36Å; S1171-D1340 WeakPolarHBondContact CA-OD2 3.44Å; L1172-D1340 PolarHBondContact N-OD1 2.94Å; W1173-D1340 PolarHBondContact N-OD1 2.65Å; S1174-D1340 PolarHBondContact N-OD1 3.37Å; S1174-D1340 VanDerWaalsContact N-OD1 3.14Å; Q1336-D1340 PolarHBondContact O-N 3.38Å; R1337-D1340 PolarHBondContact O-N 2.91Å; F1338-D1340 PolarHBondContact O-N 3.27Å; F1338-D1340 VanDerWaalsContact O-N 3.11Å
1341T91.4Very high89.2Confident17 Ų1741.3 Ų41.310%0.10423%0.232CC..SBendtrans-77.4135.5173.3-65.20000109.4R1177 F1284 R1337 F1338 F1347 T1349R1177-T1341 PolarHBondContact NH1-O 2.85Å; R1177-T1341 PolarHBondContact NH2-O 2.99Å; F1284-T1341 WeakPolarHBondContact CE2-OG1 3.18Å; R1337-T1341 PolarHBondContact O-N 3.23Å; R1337-T1341 PolarHBondContact O-OG1 3.35Å; F1338-T1341 WeakPolarHBondContact O-CB 3.26Å; F1338-T1341 PolarHBondContact O-N 3.39Å; T1341-F1347 WeakPolarHBondContact CG2-O 3.45Å; T1341-T1349 HydrophobicContact CG2-CG2 3.9Å
1342P91Very high90.2Very high54 Ų5438.9 Ų38.935%0.35122%0.219SC..  trans-52.3151.1174-1923000112.9W1173 G1348 T1349W1173-P1342 HydrophobicContact CD2-CB 4.22Å; W1173-P1342 HydrophobicContact CG-CB 4.4Å; W1173-P1342 HydrophobicContact CZ2-CB 4.01Å; P1342-G1348 CarbonylContact O-C 3.34Å; P1342-G1348 WeakPolarHBondContact O-CA 3.18Å; P1342-T1349 PolarHBondContact O-N 3.35Å; P1342-T1349 PolarHBondContact O-OG1 2.74Å
1343P88.8Confident90.7Very high36 Ų3635.3 Ų35.323%0.23420%0.202CC..SBendtrans-63.2-47.5174.122.9-30.6000111.9W1173 G1348 T1349 M1350W1173-P1343 HydrophobicContact CE3-CG 4.16Å; W1173-P1343 HydrophobicContact CH2-CG 4.17Å; W1173-P1343 HydrophobicContact CZ3-CG 3.76Å; P1343-G1348 CarbonylContact O-C 3.56Å; P1343-T1349 WeakPolarHBondContact CA-OG1 3.42Å; P1343-T1349 PolarHBondContact O-N 3.04Å; P1343-M1350 HydrophobicContact CB-CG 4.01Å; P1343-M1350 WeakPolarHBondContact O-CB 3.44Å; P1343-M1350 VanDerWaalsContact O-CG 3.23Å; P1343-M1350 WeakPolarHBondContact O-CG 3.38Å; P1343-M1350 PolarHBondContact O-N 3.2Å
1344A88Confident91.1Very high76 Ų7635.7 Ų35.763%0.62821%0.207SC*.SBendtrans-92.7166.7-176.200000113.8G1348A1344-G1348 WeakPolarHBondContact O-CA 3.36Å
1345G87.5Confident91.1Very high47 Ų4739.9 Ų39.949%0.48522%0.223SC..SBendtrans101.7167.3176.200000113.7F1347 G1348 S1351G1345-F1347 PolarHBondContact O-N 2.79Å; G1345-F1347 VanDerWaalsContact O-N 3.15Å; G1345-G1348 PolarHBondContact O-N 3.22Å; G1345-S1351 PolarHBondContact O-OG 2.75Å
1346K86.1Confident91.2Very high160 Ų16040 Ų4070%0.69622%0.224SC*.THydrogen-bonded Turntrans-54.9-36.1-176.1-177.6179178.41800113.4
1347F87.3Confident91.4Very high82 Ų8238.8 Ų38.836%0.3622%0.219SC..THydrogen-bonded Turntrans-110.122176.6-56.4-68.6000111.8Y1291 T1341 G1345 Y1352Y1291-F1347 AromaticContact CD2-CE1 3.65Å; Y1291-F1347 HydrophobicContact CD2-CE1 3.65Å; Y1291-F1347 AromaticContact CD2-CZ 3.88Å; Y1291-F1347 HydrophobicContact CD2-CZ 3.88Å; Y1291-F1347 AromaticContact CE2-CE1 3.6Å; Y1291-F1347 HydrophobicContact CE2-CE1 3.6Å; Y1291-F1347 AromaticContact CE2-CZ 3.88Å; Y1291-F1347 HydrophobicContact CE2-CZ 3.88Å; Y1291-F1347 HydrophobicContact CG-CE1 4.47Å; Y1291-F1347 HydrophobicContact CG-CZ 4.29Å; T1341-F1347 WeakPolarHBondContact CG2-O 3.45Å; G1345-F1347 PolarHBondContact O-N 2.79Å; G1345-F1347 VanDerWaalsContact O-N 3.15Å; F1347-Y1352 HydrophobicContact CB-CE2 4.38Å; F1347-Y1352 WeakPolarHBondContact CD1-OH 3.21Å; F1347-Y1352 WeakPolarHBondContact O-CE2 3.14Å
1348G91.7Very high91.2Very high1 Ų139.7 Ų39.71%0.0123%0.232CC..SBendtrans-74.4153.4175.700000111.6P1342 P1343 A1344 G1345 M1350 S1351 Y1352P1342-G1348 CarbonylContact O-C 3.34Å; P1342-G1348 WeakPolarHBondContact O-CA 3.18Å; P1343-G1348 CarbonylContact O-C 3.56Å; A1344-G1348 WeakPolarHBondContact O-CA 3.36Å; G1345-G1348 PolarHBondContact O-N 3.22Å; G1348-M1350 PolarHBondContact O-N 3.14Å; G1348-S1351 WeakPolarHBondContact O-CB 3.47Å; G1348-S1351 PolarHBondContact O-N 2.68Å; G1348-Y1352 WeakPolarHBondContact O-CD2 3.31Å; G1348-Y1352 PolarHBondContact O-N 3.32Å
1349T94.4Very high90.8Very high0 Ų042.8 Ų42.80%025%0.247CC..Hα-helixtrans-55.8-37.7178.953.10000112.9R1177 E1248 F1338 T1341 P1342 P1343 S1351 Y1352 M1353R1177-T1349 PolarHBondContact NH2-OG1 3.49Å; E1248-T1349 PolarHBondContact OE2-OG1 2.66Å; F1338-T1349 HydrophobicContact CD1-CG2 4.33Å; F1338-T1349 HydrophobicContact CD2-CG2 4.04Å; F1338-T1349 HydrophobicContact CE1-CG2 4.07Å; F1338-T1349 HydrophobicContact CE2-CG2 3.76Å; F1338-T1349 HydrophobicContact CG-CG2 4.34Å; F1338-T1349 HydrophobicContact CZ-CG2 3.77Å; F1338-T1349 WeakPolarHBondContact O-CG2 3.39Å; T1341-T1349 HydrophobicContact CG2-CG2 3.9Å; P1342-T1349 PolarHBondContact O-N 3.35Å; P1342-T1349 PolarHBondContact O-OG1 2.74Å; P1343-T1349 WeakPolarHBondContact CA-OG1 3.42Å; P1343-T1349 PolarHBondContact O-N 3.04Å; T1349-S1351 VanDerWaalsContact C-N 3.32Å; T1349-S1351 PolarHBondContact O-N 3.04Å; T1349-Y1352 WeakPolarHBondContact O-CB 3.43Å; T1349-Y1352 PolarHBondContact O-N 3.35Å; T1349-Y1352 VanDerWaalsContact O-N 3.16Å; T1349-M1353 WeakPolarHBondContact O-CG 3.31Å; T1349-M1353 PolarHBondContact O-N 3.39Å
1350M93.4Very high90.4Very high44 Ų4444.8 Ų44.822%0.21726%0.258CS..Hα-helixtrans-64.5-37.2177.9-61.4-70.8-83.900111.4E1248 V1252 P1343 G1348 Y1352 M1353 V1354E1248-M1350 HydrophobicContact CB-SD 3.72Å; E1248-M1350 HydrophobicContact CG-SD 4.07Å; V1252-M1350 HydrophobicContact CG2-CB 4.23Å; V1252-M1350 HydrophobicContact CG2-CE 3.22Å; V1252-M1350 HydrophobicContact CG2-CG 4.48Å; V1252-M1350 HydrophobicContact CG2-SD 3.46Å; V1252-M1350 WeakPolarHBondContact CG2-SD 3.09Å; P1343-M1350 HydrophobicContact CB-CG 4.01Å; P1343-M1350 WeakPolarHBondContact O-CB 3.44Å; P1343-M1350 VanDerWaalsContact O-CG 3.23Å; P1343-M1350 WeakPolarHBondContact O-CG 3.38Å; P1343-M1350 PolarHBondContact O-N 3.2Å; G1348-M1350 PolarHBondContact O-N 3.14Å; M1350-Y1352 VanDerWaalsContact C-N 3.31Å; M1350-Y1352 PolarHBondContact O-N 3.22Å; M1350-M1353 PolarHBondContact O-N 3.22Å; M1350-M1353 HydrophobicContact SD-SD 4.03Å; M1350-V1354 VanDerWaalsContact O-CG2 3.3Å; M1350-V1354 WeakPolarHBondContact O-CG2 3.5Å; M1350-V1354 PolarHBondContact O-N 3.02Å
1351S94Very high89.8Confident40 Ų4043.7 Ų43.728%0.2825%0.252SS..Hα-helixtrans-64-36.4175.4-620000112G1345 G1348 T1349 R1355G1345-S1351 PolarHBondContact O-OG 2.75Å; G1348-S1351 WeakPolarHBondContact O-CB 3.47Å; G1348-S1351 PolarHBondContact O-N 2.68Å; T1349-S1351 VanDerWaalsContact C-N 3.32Å; T1349-S1351 PolarHBondContact O-N 3.04Å; S1351-R1355 WeakPolarHBondContact O-CG 3.49Å; S1351-R1355 PolarHBondContact O-N 3Å; S1351-R1355 VanDerWaalsContact O-N 3.16Å
1352Y96.9Very high88.9Confident0 Ų047.1 Ų47.10%027%0.272CS..Hα-helixtrans-71.4-38.2173.1-70.2-68.2000112.6L1283 F1284 D1287 F1338 F1347 G1348 T1349 M1350 V1354 R1355 A1356L1283-Y1352 HydrophobicContact CB-CD1 3.88Å; L1283-Y1352 HydrophobicContact CB-CE1 4.46Å; F1284-Y1352 VanDerWaalsContact CA-CE1 3.44Å; F1284-Y1352 HydrophobicContact CB-CD1 4.12Å; F1284-Y1352 HydrophobicContact CB-CD2 3.98Å; F1284-Y1352 HydrophobicContact CB-CE1 4.08Å; F1284-Y1352 HydrophobicContact CB-CE2 3.94Å; F1284-Y1352 HydrophobicContact CB-CG 4.07Å; F1284-Y1352 HydrophobicContact CD2-CD2 4.27Å; F1284-Y1352 AromaticContact CD2-CE2 3.66Å; F1284-Y1352 HydrophobicContact CD2-CE2 3.66Å; F1284-Y1352 HydrophobicContact CG-CE2 4.3Å; D1287-Y1352 HydrophobicContact CB-CE1 4.02Å; D1287-Y1352 WeakPolarHBondContact CB-OH 3.39Å; D1287-Y1352 WeakPolarHBondContact OD2-CE1 3.27Å; D1287-Y1352 PolarHBondContact OD2-OH 2.92Å; F1338-Y1352 AromaticContact CE2-CD2 4Å; F1338-Y1352 HydrophobicContact CE2-CD2 4Å; F1338-Y1352 HydrophobicContact CE2-CG 4.28Å; F1347-Y1352 HydrophobicContact CB-CE2 4.38Å; F1347-Y1352 WeakPolarHBondContact CD1-OH 3.21Å; F1347-Y1352 WeakPolarHBondContact O-CE2 3.14Å; G1348-Y1352 WeakPolarHBondContact O-CD2 3.31Å; G1348-Y1352 PolarHBondContact O-N 3.32Å; T1349-Y1352 WeakPolarHBondContact O-CB 3.43Å; T1349-Y1352 PolarHBondContact O-N 3.35Å; T1349-Y1352 VanDerWaalsContact O-N 3.16Å; M1350-Y1352 VanDerWaalsContact C-N 3.31Å; M1350-Y1352 PolarHBondContact O-N 3.22Å; Y1352-V1354 VanDerWaalsContact C-N 3.35Å; Y1352-R1355 VanDerWaalsContact CE1-NH1 3.3Å; Y1352-R1355 PolarHBondContact O-N 3.31Å; Y1352-A1356 WeakPolarHBondContact O-CB 3.49Å; Y1352-A1356 PolarHBondContact O-N 3.03Å
1353M95.9Very high87.8Confident0 Ų049.2 Ų49.20%029%0.287CS..Hα-helixtrans-63.2-40.5173.1-69.3171.4-177.800111.3L1245 E1248 A1249 V1252 A1280 T1349 M1350 R1355 A1356 V1357L1245-M1353 HydrophobicContact CB-CE 4.35Å; L1245-M1353 HydrophobicContact CD2-CE 3.9Å; L1245-M1353 WeakPolarHBondContact O-CE 3.49Å; E1248-M1353 HydrophobicContact CB-CE 3.91Å; E1248-M1353 HydrophobicContact CB-SD 3.94Å; A1249-M1353 VanDerWaalsContact CA-SD 3.59Å; A1249-M1353 HydrophobicContact CB-CE 4.28Å; A1249-M1353 HydrophobicContact CB-SD 3.98Å; V1252-M1353 HydrophobicContact CB-CB 4.32Å; V1252-M1353 HydrophobicContact CG1-CB 4.32Å; V1252-M1353 HydrophobicContact CG2-CB 3.99Å; V1252-M1353 HydrophobicContact CG2-SD 4.35Å; A1280-M1353 HydrophobicContact CB-CG 3.99Å; T1349-M1353 WeakPolarHBondContact O-CG 3.31Å; T1349-M1353 PolarHBondContact O-N 3.39Å; M1350-M1353 PolarHBondContact O-N 3.22Å; M1350-M1353 HydrophobicContact SD-SD 4.03Å; M1353-R1355 VanDerWaalsContact C-N 3.35Å; M1353-R1355 PolarHBondContact O-N 2.96Å; M1353-A1356 PolarHBondContact O-N 3.11Å; M1353-V1357 WeakPolarHBondContact O-CB 3.36Å; M1353-V1357 VanDerWaalsContact O-CG2 3.32Å; M1353-V1357 WeakPolarHBondContact O-CG2 3.36Å; M1353-V1357 PolarHBondContact O-N 2.96Å
1354V93.4Very high86.5Confident82 Ų8250.8 Ų50.850%0.49729%0.294SS..Hα-helixtrans-59.1-45.7173.71690000110.8V1252 M1350 Y1352 V1357 S1358V1252-V1354 HydrophobicContact CG1-CB 4.32Å; V1252-V1354 HydrophobicContact CG1-CG2 3.5Å; M1350-V1354 VanDerWaalsContact O-CG2 3.3Å; M1350-V1354 WeakPolarHBondContact O-CG2 3.5Å; M1350-V1354 PolarHBondContact O-N 3.02Å; Y1352-V1354 VanDerWaalsContact C-N 3.35Å; V1354-V1357 PolarHBondContact O-N 3.29Å; V1354-S1358 WeakPolarHBondContact O-CB 3.45Å; V1354-S1358 PolarHBondContact O-N 3.04Å
1355R92.8Very high85.2Confident89 Ų8956 Ų5634%0.33630%0.302SS..Hα-helixtrans-63.3-41.6176-71.216560.7179.50.8112.1L1283 D1287 S1351 Y1352 M1353 S1358 E1359L1283-R1355 HydrophobicContact CD1-CB 3.61Å; D1287-R1355 IonicContact OD1-CZ 3.65Å; D1287-R1355 IonicContact OD1-NH1 2.63Å; D1287-R1355 PolarHBondContact OD1-NH1 3.43Å; D1287-R1355 IonicContact OD1-NH2 3.04Å; D1287-R1355 PolarHBondContact OD1-NH2 2.86Å; D1287-R1355 VanDerWaalsContact OD1-NH2 3.14Å; D1287-R1355 IonicContact OD2-CZ 2.89Å; D1287-R1355 IonicContact OD2-NH1 2.64Å; D1287-R1355 PolarHBondContact OD2-NH1 3.45Å; D1287-R1355 IonicContact OD2-NH2 3.14Å; S1351-R1355 WeakPolarHBondContact O-CG 3.49Å; S1351-R1355 PolarHBondContact O-N 3Å; S1351-R1355 VanDerWaalsContact O-N 3.16Å; Y1352-R1355 VanDerWaalsContact CE1-NH1 3.3Å; Y1352-R1355 PolarHBondContact O-N 3.31Å; M1353-R1355 VanDerWaalsContact C-N 3.35Å; M1353-R1355 PolarHBondContact O-N 2.96Å; R1355-S1358 WeakPolarHBondContact O-CB 3.4Å; R1355-S1358 PolarHBondContact O-N 3.34Å; R1355-E1359 PolarHBondContact O-N 3.31Å
1356A93.2Very high83.7Confident3 Ų354.7 Ų54.73%0.02529%0.285CS..Hα-helixtrans-62.7-43.6176.500000112I1276 K1279 A1280 L1283 Y1352 M1353 E1359 L1360I1276-A1356 HydrophobicContact CG2-CB 4.1Å; K1279-A1356 HydrophobicContact CB-CB 3.98Å; K1279-A1356 HydrophobicContact CG-CB 3.9Å; A1280-A1356 HydrophobicContact CB-CB 4.08Å; L1283-A1356 HydrophobicContact CD1-CB 4.43Å; Y1352-A1356 WeakPolarHBondContact O-CB 3.49Å; Y1352-A1356 PolarHBondContact O-N 3.03Å; M1353-A1356 PolarHBondContact O-N 3.11Å; A1356-E1359 PolarHBondContact O-N 3.03Å; A1356-L1360 PolarHBondContact O-N 3.37Å
1357V90.2Very high82.2Confident4 Ų450.6 Ų50.62%0.02427%0.268CS..Hα-helixtrans-63.2-41.6173.9171.10000110.9V1252 L1253 L1256 I1276 M1353 V1354 E1359 L1360 L1361V1252-V1357 HydrophobicContact CG1-CG2 4.38Å; L1253-V1357 HydrophobicContact CB-CG2 4.44Å; L1253-V1357 HydrophobicContact CD1-CG1 3.87Å; L1253-V1357 HydrophobicContact CD1-CG2 4.29Å; L1256-V1357 HydrophobicContact CD2-CG1 3.81Å; I1276-V1357 HydrophobicContact CD1-CG2 4.25Å; I1276-V1357 HydrophobicContact CG2-CG2 3.96Å; M1353-V1357 WeakPolarHBondContact O-CB 3.36Å; M1353-V1357 VanDerWaalsContact O-CG2 3.32Å; M1353-V1357 WeakPolarHBondContact O-CG2 3.36Å; M1353-V1357 PolarHBondContact O-N 2.96Å; V1354-V1357 PolarHBondContact O-N 3.29Å; V1357-E1359 VanDerWaalsContact C-N 3.32Å; V1357-E1359 PolarHBondContact O-N 2.74Å; V1357-L1360 WeakPolarHBondContact O-CB 3.34Å; V1357-L1360 PolarHBondContact O-N 3.4Å; V1357-L1361 HydrophobicContact CG1-CD1 4.15Å; V1357-L1361 WeakPolarHBondContact O-CG 3.22Å; V1357-L1361 PolarHBondContact O-N 3.13Å; V1357-L1361 VanDerWaalsContact O-N 3.09Å
1358S85.7Confident80.5Confident68 Ų6852 Ų5248%0.47628%0.279SS..Hα-helixtrans-59-42.7175.9-173.80000112V1354 R1355 L1361 T1362V1354-S1358 WeakPolarHBondContact O-CB 3.45Å; V1354-S1358 PolarHBondContact O-N 3.04Å; R1355-S1358 WeakPolarHBondContact O-CB 3.4Å; R1355-S1358 PolarHBondContact O-N 3.34Å; S1358-L1361 PolarHBondContact O-N 3.28Å; S1358-T1362 WeakPolarHBondContact O-CG2 3.12Å; S1358-T1362 PolarHBondContact O-N 3.37Å
1359E84.8Confident78.7Confident65 Ų6557.4 Ų57.430%0.30431%0.314SS..Hα-helixtrans-67.3-42.9176.5-74.9-173.5-141.100112.1K1279 L1283 R1355 A1356 V1357 L1361 T1362 C1363K1279-E1359 WeakPolarHBondContact CE-OE2 3.29Å; K1279-E1359 IonicContact NZ-OE2 3.76Å; K1279-E1359 PolarHBondContact NZ-OE2 2.75Å; L1283-E1359 WeakPolarHBondContact CD2-OE1 3.15Å; R1355-E1359 PolarHBondContact O-N 3.31Å; A1356-E1359 PolarHBondContact O-N 3.03Å; V1357-E1359 VanDerWaalsContact C-N 3.32Å; V1357-E1359 PolarHBondContact O-N 2.74Å; E1359-L1361 PolarHBondContact O-N 2.79Å; E1359-T1362 WeakPolarHBondContact CA-OG1 3.44Å; E1359-T1362 PolarHBondContact O-N 3.35Å; E1359-T1362 PolarHBondContact O-OG1 3.39Å; E1359-C1363 PolarHBondContact O-N 3.15Å; E1359-C1363 PolarHBondContact O-SG 2.85Å; E1359-C1363 VanDerWaalsContact O-SG 3.41Å
1360L82.1Confident76.7Confident43 Ų4364 Ų6423%0.22535%0.35CS..Hα-helixtrans-52.6-44.1175.6-178.576.3000111.6V1271 I1276 A1356 V1357 C1363 N1364V1271-L1360 HydrophobicContact CG1-CD2 3.78Å; V1271-L1360 HydrophobicContact CG2-CD2 4.1Å; I1276-L1360 HydrophobicContact CD1-CD2 4.48Å; A1356-L1360 PolarHBondContact O-N 3.37Å; V1357-L1360 WeakPolarHBondContact O-CB 3.34Å; V1357-L1360 PolarHBondContact O-N 3.4Å; L1360-C1363 PolarHBondContact O-N 3.48Å; L1360-N1364 PolarHBondContact O-N 2.94Å; L1360-N1364 PolarHBondContact O-ND2 3.5Å
1361L77.4Confident74.7Confident7 Ų769.2 Ų69.24%0.03737%0.371CS..Hα-helixtrans-68.4-36.1179.4-65.5166.7000112.8L1256 I1265 I1267 V1357 S1358 E1359 F1367L1256-L1361 HydrophobicContact CD2-CD1 3.41Å; L1256-L1361 VanDerWaalsContact CD2-CD1 3.41Å; I1265-L1361 HydrophobicContact CG2-CD2 3.82Å; I1267-L1361 HydrophobicContact CD1-CD2 3.66Å; I1267-L1361 HydrophobicContact CG1-CD2 4Å; V1357-L1361 HydrophobicContact CG1-CD1 4.15Å; V1357-L1361 WeakPolarHBondContact O-CG 3.22Å; V1357-L1361 PolarHBondContact O-N 3.13Å; V1357-L1361 VanDerWaalsContact O-N 3.09Å; S1358-L1361 PolarHBondContact O-N 3.28Å; E1359-L1361 PolarHBondContact O-N 2.79Å; L1361-F1367 HydrophobicContact CB-CE2 3.83Å; L1361-F1367 HydrophobicContact CB-CZ 3.54Å; L1361-F1367 HydrophobicContact CD1-CZ 4.22Å; L1361-F1367 HydrophobicContact CG-CZ 4.35Å
1362T73.4Confident72.8Confident88 Ų8873 Ų7354%0.5440%0.395SS..Hα-helixtrans-68.4-36.1175.956.80000112.6S1358 E1359S1358-T1362 WeakPolarHBondContact O-CG2 3.12Å; S1358-T1362 PolarHBondContact O-N 3.37Å; E1359-T1362 WeakPolarHBondContact CA-OG1 3.44Å; E1359-T1362 PolarHBondContact O-N 3.35Å; E1359-T1362 PolarHBondContact O-OG1 3.39Å
1363C66.6Low70.6Confident98 Ų9875 Ų7566%0.66241%0.405SS*.Hα-helixtrans-70.3-38.8-179.8-69.50000113E1359 L1360 K1365E1359-C1363 PolarHBondContact O-N 3.15Å; E1359-C1363 PolarHBondContact O-SG 2.85Å; E1359-C1363 VanDerWaalsContact O-SG 3.41Å; L1360-C1363 PolarHBondContact O-N 3.48Å; C1363-K1365 PolarHBondContact O-N 3.28Å
1364N61.9Low68.5Low69 Ų6979 Ų7937%0.36943%0.431SS..THydrogen-bonded Turntrans-82.48-174.9-77-40.7000114.3L1360 C1366L1360-N1364 PolarHBondContact O-N 2.94Å; L1360-N1364 PolarHBondContact O-ND2 3.5Å; N1364-C1366 WeakPolarHBondContact CB-SG 3.37Å; N1364-C1366 PolarHBondContact O-N 3.41Å
1365K60.3Low66.4Low185 Ų18578.6 Ų78.680%0.80443%0.425SS*.THydrogen-bonded Turntrans46.235.7-175.7-62.5-179.8-179.5176.20112.7C1363 F1367C1363-K1365 PolarHBondContact O-N 3.28Å; K1365-F1367 PolarHBondContact O-N 3.17Å
1366C55.4Low64.2Low20 Ų2079 Ų7914%0.13543%0.434CS..  trans-70.14.5-174.5-63.90000113.9N1364N1364-C1366 WeakPolarHBondContact CB-SG 3.37Å; N1364-C1366 PolarHBondContact O-N 3.41Å
1367F54.8Low62Low75 Ų7584.1 Ų84.133%0.32947%0.469SS..SBendtrans-114.6138.4-173.1-56.8-55.6000110.7I1265 L1361 K1365 P1369 L1373I1265-F1367 HydrophobicContact CG1-CE1 4.4Å; L1361-F1367 HydrophobicContact CB-CE2 3.83Å; L1361-F1367 HydrophobicContact CB-CZ 3.54Å; L1361-F1367 HydrophobicContact CD1-CZ 4.22Å; L1361-F1367 HydrophobicContact CG-CZ 4.35Å; K1365-F1367 PolarHBondContact O-N 3.17Å; F1367-P1369 WeakPolarHBondContact O-CD 3.48Å; F1367-L1373 HydrophobicContact CD1-CD1 3.11Å; F1367-L1373 HydrophobicContact CE1-CD1 3.1Å; F1367-L1373 HydrophobicContact CG-CD1 4.22Å; F1367-L1373 HydrophobicContact CZ-CD1 4.18Å
1368N53.1Low59.8Low110 Ų11091.1 Ų91.159%0.58851%0.506SS*.  trans-75.2113.9159.4-170.3-16.4000107.8D1370 K1371N1368-D1370 PolarHBondContact O-N 3.33Å; N1368-D1370 VanDerWaalsContact O-N 3.07Å; N1368-K1371 PolarHBondContact O-N 3.1Å
1369P53.9Low57.7Low115 Ų11591.9 Ų91.975%0.74751%0.507SS*.THydrogen-bonded Turntrans-61.5-19.9-171.622.8-33.1000114.2F1367 K1371F1367-P1369 WeakPolarHBondContact O-CD 3.48Å; P1369-K1371 VanDerWaalsContact C-N 3.29Å; P1369-K1371 PolarHBondContact O-N 2.75Å
1370D51.6Low55.3Low140 Ų140101.1 Ų101.175%0.74955%0.55SS**THydrogen-bonded Turntrans-80.3-1.5-174.1-66.7-28.5000114.7N1368N1368-D1370 PolarHBondContact O-N 3.33Å; N1368-D1370 VanDerWaalsContact O-N 3.07Å
1371K51.7Low53.9Low152 Ų152104 Ų10466%0.66157%0.567SS**SBendtrans-135.2118.7176.7-69-177.2-179.3177.60111.3N1368 P1369 L1373N1368-K1371 PolarHBondContact O-N 3.1Å; P1369-K1371 VanDerWaalsContact C-N 3.29Å; P1369-K1371 PolarHBondContact O-N 2.75Å; K1371-L1373 PolarHBondContact O-N 3.28Å
1372P52.9Low52.7Low120 Ų120109.1 Ų109.178%0.77960%0.595SS**  trans-60.5139.6168.726.4-32000108.9P1374P1372-P1374 WeakPolarHBondContact O-CD 3.38Å
1373L52.2Low51.5Low43 Ų43110.3 Ų110.323%0.22560%0.598CS.*  trans-76.9111.7171.5-109.5128.9000108.9I1265 F1367 K1371 I1375I1265-L1373 HydrophobicContact CD1-CD2 3.92Å; I1265-L1373 HydrophobicContact CG1-CD1 4.33Å; I1265-L1373 HydrophobicContact CG1-CD2 3.85Å; F1367-L1373 HydrophobicContact CD1-CD1 3.11Å; F1367-L1373 HydrophobicContact CE1-CD1 3.1Å; F1367-L1373 HydrophobicContact CG-CD1 4.22Å; F1367-L1373 HydrophobicContact CZ-CD1 4.18Å; K1371-L1373 PolarHBondContact O-N 3.28Å; L1373-I1375 HydrophobicContact CB-CD1 4.5Å; L1373-I1375 HydrophobicContact CB-CG1 4.22Å; L1373-I1375 HydrophobicContact CD2-CD1 4.37Å; L1373-I1375 HydrophobicContact CD2-CG1 3.94Å; L1373-I1375 PolarHBondContact O-N 3.05Å
1374P50.5Low50.7Low84 Ų84111 Ų11155%0.54559%0.594SS.*  trans-69.579.416330.8-36.2000108.3R1264 P1372 N1376R1264-P1374 VanDerWaalsContact CZ-CD 3.45Å; P1372-P1374 WeakPolarHBondContact O-CD 3.38Å; P1374-N1376 PolarHBondContact O-N 3.07Å
1375I50.8Low50Low73 Ų73113.6 Ų113.637%0.37461%0.608SS.*  trans-76.2114.7160.9-62.9166.1000105L1256 L1373 C1377L1256-I1375 HydrophobicContact CD1-CD1 3.83Å; L1256-I1375 HydrophobicContact CD1-CG1 4.23Å; L1256-I1375 HydrophobicContact CD1-CG2 4.29Å; L1373-I1375 HydrophobicContact CB-CD1 4.5Å; L1373-I1375 HydrophobicContact CB-CG1 4.22Å; L1373-I1375 HydrophobicContact CD2-CD1 4.37Å; L1373-I1375 HydrophobicContact CD2-CG1 3.94Å; L1373-I1375 PolarHBondContact O-N 3.05Å; I1375-C1377 VanDerWaalsContact C-N 3.27Å; I1375-C1377 PolarHBondContact O-N 3.42Å; I1375-C1377 PolarHBondContact O-SG 3.45Å; I1375-C1377 VanDerWaalsContact O-SG 3.35Å
1376N45.6Very low49.3Very low98 Ų98108.9 Ų108.952%0.52460%0.595SS.*  trans-70.388.8172.4-175-2.3000108.9P1374 N1378P1374-N1376 PolarHBondContact O-N 3.07Å; N1376-N1378 PolarHBondContact O-N 3.46Å; N1376-N1378 WeakPolarHBondContact OD1-CB 3.5Å; N1376-N1378 PolarHBondContact OD1-N 3.45Å
1377C47.1Very low48.8Very low110 Ų110115.2 Ų115.274%0.74363%0.628SS**THydrogen-bonded Turntrans-71.4-1.3-179.3-56.40000113.9I1375 V1379I1375-C1377 VanDerWaalsContact C-N 3.27Å; I1375-C1377 PolarHBondContact O-N 3.42Å; I1375-C1377 PolarHBondContact O-SG 3.45Å; I1375-C1377 VanDerWaalsContact O-SG 3.35Å; C1377-V1379 PolarHBondContact O-N 2.96Å
1378N43.7Very low48.4Very low151 Ų151118.3 Ų118.381%0.80765%0.651SS**THydrogen-bonded Turntrans-74.40.2-179.9-76.4-23.3000113.9N1376 Q1380N1376-N1378 PolarHBondContact O-N 3.46Å; N1376-N1378 WeakPolarHBondContact OD1-CB 3.5Å; N1376-N1378 PolarHBondContact OD1-N 3.45Å; N1378-Q1380 PolarHBondContact O-N 3.48Å
1379V42.3Very low48Very low83 Ų83119 Ų11950%0.50366%0.656SS.*  trans-90.4101.2179-169.80000108.7C1377C1377-V1379 PolarHBondContact O-N 2.96Å
1380Q33.4Very low47.4Very low259 Ų259119.4 Ų119.4100%1.2165%0.647SS**  trans-73.30173.2-89.1-171.4-15.700112.8N1378N1378-Q1380 PolarHBondContact O-N 3.48Å

Retrieved 1,380 of 1,380 residues in 2426.3 ms (Link to these results)

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