A0A3Q0KH23_SCHMA Loading...

Putative geranylgeranyl transferase type I beta subunit AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KH23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 385 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
1M33.5Very low68.7Low240 Ų24086.5 Ų86.5100%1.18247%0.466SS*.  0130.30-86.2170.372.600106.6C3M1-C3 PolarHBondContact O-N 3.19Å
2V34.1Very low71.1Confident148 Ų14882.6 Ų82.690%0.89744%0.442SS*.  trans-32.9113.3-163.2-174.80000111.9D4V2-D4 PolarHBondContact O-N 3.24Å; V2-D4 VanDerWaalsContact O-N 3.08Å
3C32.3Very low73.2Confident116 Ų11676.2 Ų76.278%0.78441%0.408SS*.  trans-53.2115.8174.6-1670000107.2M1 S5M1-C3 PolarHBondContact O-N 3.19Å; C3-S5 PolarHBondContact O-N 2.99Å
4D45.8Very low75Confident86 Ų8672.7 Ų72.746%0.4639%0.387SS..  trans-51.9116.5169.7-1538.1000105V2 D6 R10 Q11V2-D4 PolarHBondContact O-N 3.24Å; V2-D4 VanDerWaalsContact O-N 3.08Å; D4-D6 PolarHBondContact O-N 3.17Å; D4-R10 IonicContact OD1-NH1 3.8Å; D4-R10 PolarHBondContact OD1-NH1 3.23Å; D4-Q11 VanDerWaalsContact CG-NE2 3.27Å; D4-Q11 PolarHBondContact OD2-NE2 3.04Å
5S55.2Low76.5Confident28 Ų2874.1 Ų74.120%0.19639%0.393CS..  trans-49.8139.5-176.551.80000109.2C3 N7 E357C3-S5 PolarHBondContact O-N 2.99Å; S5-N7 PolarHBondContact O-N 3.29Å; S5-E357 PolarHBondContact OG-OE1 3.11Å; S5-E357 PolarHBondContact OG-OE2 3.26Å
6D76.3Confident77.8Confident155 Ų15570.2 Ų70.283%0.82937%0.371SS*.  trans-68.226-173.7-158.319.1000113.2D4 K8D4-D6 PolarHBondContact O-N 3.17Å; D6-K8 PolarHBondContact O-N 3.03Å
7N93.2Very high79Confident0 Ų066.1 Ų66.10%035%0.349CS..  trans-76.188.5-179.2-167-48.8000110.2S5 V9 R10 Q11 N348S5-N7 PolarHBondContact O-N 3.29Å; N7-V9 PolarHBondContact O-N 3.47Å; N7-V9 PolarHBondContact OD1-N 3.05Å; N7-R10 HydrophobicContact CB-CB 4.02Å; N7-R10 PolarHBondContact O-N 3.04Å; N7-R10 WeakPolarHBondContact OD1-CB 3.34Å; N7-R10 PolarHBondContact OD1-N 3.24Å; N7-Q11 PolarHBondContact O-N 3.39Å; N7-Q11 VanDerWaalsContact O-N 3.12Å; N7-N348 PolarHBondContact ND2-O 3.13Å; N7-N348 WeakPolarHBondContact OD1-CB 3.36Å
8K95.2Very high80.1Confident98 Ų9868.1 Ų68.143%0.42636%0.355SS..Hα-helixtrans-58.2-34.1-178.8-176.3174176.3-175.60113D6 K12 Y344 N348D6-K8 PolarHBondContact O-N 3.03Å; K8-K12 HydrophobicContact CG-CD 4.36Å; K8-K12 WeakPolarHBondContact O-CB 3.38Å; K8-K12 WeakPolarHBondContact O-CG 3.31Å; K8-K12 PolarHBondContact O-N 3Å; K8-Y344 HydrophobicContact CB-CD2 4.39Å; K8-Y344 HydrophobicContact CB-CE2 3.93Å; K8-Y344 HydrophobicContact CD-CD2 4.4Å; K8-Y344 HydrophobicContact CD-CE2 3.74Å; K8-Y344 HydrophobicContact CG-CE2 3.96Å; K8-N348 PolarHBondContact N-OD1 3.1Å; K8-N348 VanDerWaalsContact N-OD1 3.12Å
9V97Very high80.9Confident0 Ų070.9 Ų70.90%036%0.36CS..Hα-helixtrans-64.6-50.3176171.30000110.7N7 Q11 K12 L13 W292 Y344 V345 N348 L349N7-V9 PolarHBondContact O-N 3.47Å; N7-V9 PolarHBondContact OD1-N 3.05Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3.46Å; V9-K12 PolarHBondContact O-N 3.47Å; V9-L13 HydrophobicContact CG1-CD1 3.72Å; V9-L13 HydrophobicContact CG1-CG 4.37Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.95Å; V9-W292 HydrophobicContact CB-CH2 4.29Å; V9-W292 HydrophobicContact CB-CZ2 4.44Å; V9-W292 HydrophobicContact CG1-CE3 4.45Å; V9-W292 HydrophobicContact CG1-CH2 3.79Å; V9-W292 HydrophobicContact CG1-CZ2 4.35Å; V9-W292 HydrophobicContact CG1-CZ3 3.86Å; V9-W292 HydrophobicContact CG2-CH2 4.47Å; V9-W292 HydrophobicContact CG2-CZ2 4.2Å; V9-Y344 HydrophobicContact CG2-CE2 4.06Å; V9-V345 HydrophobicContact CG2-CB 4.23Å; V9-V345 HydrophobicContact CG2-CG1 3.98Å; V9-V345 HydrophobicContact CG2-CG2 4.33Å; V9-N348 HydrophobicContact CB-CB 3.85Å; V9-N348 HydrophobicContact CG2-CB 3.63Å; V9-N348 PolarHBondContact N-OD1 2.74Å; V9-L349 HydrophobicContact CG1-CD2 3.95Å; V9-L349 HydrophobicContact CG1-CG 4.29Å
10R96.8Very high81.7Confident26 Ų2667.9 Ų67.910%0.09835%0.346CS..Hα-helixtrans-55.4-46.6176.8176.8172.6176.8-101.8-2.6111.5D4 N7 L13 K14 L49 L352D4-R10 IonicContact OD1-NH1 3.8Å; D4-R10 PolarHBondContact OD1-NH1 3.23Å; N7-R10 HydrophobicContact CB-CB 4.02Å; N7-R10 PolarHBondContact O-N 3.04Å; N7-R10 WeakPolarHBondContact OD1-CB 3.34Å; N7-R10 PolarHBondContact OD1-N 3.24Å; R10-L13 PolarHBondContact O-N 3.14Å; R10-K14 HydrophobicContact CG-CD 4.37Å; R10-K14 WeakPolarHBondContact O-CG 3.33Å; R10-K14 PolarHBondContact O-N 3.16Å; R10-L49 HydrophobicContact CG-CD2 4.33Å; R10-L352 HydrophobicContact CG-CD1 4.49Å
11Q96.5Very high82.4Confident55 Ų5566.2 Ų66.226%0.25734%0.339SS..Hα-helixtrans-63.6-44.3179-63.3-58.6-21.500112.5D4 N7 V9 L13 K14 I15D4-Q11 VanDerWaalsContact CG-NE2 3.27Å; D4-Q11 PolarHBondContact OD2-NE2 3.04Å; N7-Q11 PolarHBondContact O-N 3.39Å; N7-Q11 VanDerWaalsContact O-N 3.12Å; V9-Q11 VanDerWaalsContact C-N 3.33Å; V9-Q11 PolarHBondContact O-N 3.46Å; Q11-L13 PolarHBondContact O-N 2.72Å; Q11-K14 PolarHBondContact O-N 2.8Å; Q11-I15 VanDerWaalsContact O-CG1 3.3Å; Q11-I15 WeakPolarHBondContact O-CG1 3.36Å; Q11-I15 PolarHBondContact O-N 2.87Å; Q11-I15 VanDerWaalsContact O-N 3.11Å
12K97.8Very high85.3Confident39 Ų3957.2 Ų57.217%0.1731%0.307CS..Hα-helixtrans-62.2-41.6177.3-81.9-177.4173-168.60112.3K8 V9 I15 Y16 W292 D294 G297K8-K12 HydrophobicContact CG-CD 4.36Å; K8-K12 WeakPolarHBondContact O-CB 3.38Å; K8-K12 WeakPolarHBondContact O-CG 3.31Å; K8-K12 PolarHBondContact O-N 3Å; V9-K12 PolarHBondContact O-N 3.47Å; K12-I15 PolarHBondContact O-N 3.46Å; K12-Y16 WeakPolarHBondContact O-CB 3.49Å; K12-Y16 PolarHBondContact O-N 3.13Å; K12-W292 HydrophobicContact CB-CH2 3.81Å; K12-W292 HydrophobicContact CB-CZ2 3.79Å; K12-W292 HydrophobicContact CD-CZ2 3.71Å; K12-W292 HydrophobicContact CG-CZ2 4.39Å; K12-D294 PolarHBondContact NZ-O 3.12Å; K12-D294 IonicContact NZ-OD1 3.88Å; K12-D294 PolarHBondContact NZ-OD1 3.23Å; K12-D294 IonicContact NZ-OD2 3.61Å; K12-D294 PolarHBondContact NZ-OD2 3.27Å; K12-G297 CarbonylContact C-O 3.51Å
13L98.1Very high88.1Confident0 Ų058.4 Ų58.40%031%0.307CS..Hα-helixtrans-62.5-44.2175.2-72.6164.8000112.3V9 R10 Q11 I15 Y16 F17 L49 W292 F299 T314 L318V9-L13 HydrophobicContact CG1-CD1 3.72Å; V9-L13 HydrophobicContact CG1-CG 4.37Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.95Å; R10-L13 PolarHBondContact O-N 3.14Å; Q11-L13 PolarHBondContact O-N 2.72Å; L13-I15 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 2.95Å; L13-Y16 PolarHBondContact O-N 3.28Å; L13-F17 HydrophobicContact CB-CD2 4.48Å; L13-F17 HydrophobicContact CB-CE2 4.38Å; L13-F17 HydrophobicContact CD2-CE2 4.24Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.38Å; L13-F17 PolarHBondContact O-N 3.47Å; L13-L49 HydrophobicContact CB-CD1 3.67Å; L13-W292 HydrophobicContact CD1-CZ3 4.38Å; L13-W292 HydrophobicContact CD2-CH2 4.29Å; L13-W292 HydrophobicContact CD2-CZ3 3.8Å; L13-W292 HydrophobicContact CG-CH2 3.96Å; L13-W292 HydrophobicContact CG-CZ3 3.85Å; L13-F299 HydrophobicContact CD1-CE2 4.39Å; L13-F299 HydrophobicContact CD2-CD2 4.35Å; L13-F299 HydrophobicContact CD2-CE2 4.01Å; L13-T314 HydrophobicContact CD2-CG2 3.43Å; L13-T314 VanDerWaalsContact CD2-CG2 3.43Å; L13-L318 HydrophobicContact CD1-CD1 3.79Å; L13-L318 HydrophobicContact CD1-CD2 3.87Å; L13-L318 HydrophobicContact CD1-CG 4.36Å; L13-L318 HydrophobicContact CD2-CD1 4.06Å; L13-L318 HydrophobicContact CG-CD1 4.42Å
14K97.6Very high90.9Very high27 Ų2755.5 Ų55.512%0.11728%0.284CS..Hα-helixtrans-55.5-47.8174.4-73.417264.5-178.90111.3R10 Q11 K18 L49 A51 I54R10-K14 HydrophobicContact CG-CD 4.37Å; R10-K14 WeakPolarHBondContact O-CG 3.33Å; R10-K14 PolarHBondContact O-N 3.16Å; Q11-K14 PolarHBondContact O-N 2.8Å; K14-K18 VanDerWaalsContact O-CB 3.28Å; K14-K18 WeakPolarHBondContact O-CB 3.49Å; K14-K18 PolarHBondContact O-N 2.92Å; K14-L49 HydrophobicContact CG-CB 4.46Å; K14-L49 HydrophobicContact CG-CD1 4.12Å; K14-A51 HydrophobicContact CD-CB 3.94Å; K14-A51 HydrophobicContact CG-CB 3.74Å; K14-I54 HydrophobicContact CB-CD1 4.05Å
15I97.6Very high93.1Very high93 Ų9355 Ų5548%0.47729%0.285SS..Hα-helixtrans-66.9-38179.5-59.4166.5000110.9Q11 K12 L13 R19Q11-I15 VanDerWaalsContact O-CG1 3.3Å; Q11-I15 WeakPolarHBondContact O-CG1 3.36Å; Q11-I15 PolarHBondContact O-N 2.87Å; Q11-I15 VanDerWaalsContact O-N 3.11Å; K12-I15 PolarHBondContact O-N 3.46Å; L13-I15 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 2.95Å; I15-R19 WeakPolarHBondContact O-CG 3.18Å; I15-R19 PolarHBondContact O-N 2.84Å; I15-R19 PolarHBondContact O-NE 3.4Å
16Y97.9Very high94.9Very high12 Ų1263.1 Ų63.15%0.04731%0.312CS..Hα-helixtrans-64.1-55.5176.9177-102.6000111.8K12 L13 K18 R19 C20 I296 A298 D310 P311 T314K12-Y16 WeakPolarHBondContact O-CB 3.49Å; K12-Y16 PolarHBondContact O-N 3.13Å; L13-Y16 PolarHBondContact O-N 3.28Å; Y16-K18 VanDerWaalsContact C-N 3.32Å; Y16-K18 PolarHBondContact O-N 2.97Å; Y16-R19 WeakPolarHBondContact O-CA 3.39Å; Y16-R19 WeakPolarHBondContact O-CB 3.48Å; Y16-R19 PolarHBondContact O-N 3.32Å; Y16-C20 PolarHBondContact O-N 3.24Å; Y16-C20 VanDerWaalsContact O-N 3.09Å; Y16-C20 PolarHBondContact O-SG 2.77Å; Y16-C20 VanDerWaalsContact O-SG 3.34Å; Y16-I296 HydrophobicContact CD2-CG2 3.61Å; Y16-I296 HydrophobicContact CE2-CG2 3.59Å; Y16-A298 HydrophobicContact CD1-CB 3.71Å; Y16-A298 HydrophobicContact CD2-CB 3.6Å; Y16-A298 HydrophobicContact CE1-CB 3.72Å; Y16-A298 HydrophobicContact CE2-CB 3.61Å; Y16-A298 HydrophobicContact CG-CB 3.63Å; Y16-D310 WeakPolarHBondContact OH-CA 3.45Å; Y16-D310 PolarHBondContact OH-N 3.18Å; Y16-D310 PolarHBondContact OH-O 3.32Å; Y16-P311 WeakPolarHBondContact OH-CD 3.47Å; Y16-P311 VanDerWaalsContact OH-N 3.15Å; Y16-T314 HydrophobicContact CD1-CG2 4Å; Y16-T314 HydrophobicContact CE1-CG2 4.04Å
17F98.3Very high95.6Very high0 Ų060.4 Ų60.40%031%0.306CS..Hα-helixtrans-63.8-36.6-178.7-68.9-56.5000112.6L13 R19 C20 T21 G45 L46 L49 T314 L318L13-F17 HydrophobicContact CB-CD2 4.48Å; L13-F17 HydrophobicContact CB-CE2 4.38Å; L13-F17 HydrophobicContact CD2-CE2 4.24Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.38Å; L13-F17 PolarHBondContact O-N 3.47Å; F17-R19 VanDerWaalsContact C-N 3.29Å; F17-R19 PolarHBondContact O-N 3.03Å; F17-C20 WeakPolarHBondContact O-CA 3.43Å; F17-C20 WeakPolarHBondContact O-CB 3.49Å; F17-C20 PolarHBondContact O-N 2.73Å; F17-T21 PolarHBondContact O-N 3.35Å; F17-G45 VanDerWaalsContact CE2-CA 3.5Å; F17-L46 HydrophobicContact CB-CD1 4.43Å; F17-L46 HydrophobicContact CB-CD2 3.8Å; F17-L46 HydrophobicContact CB-CG 3.66Å; F17-L49 HydrophobicContact CD2-CD1 4.08Å; F17-L49 HydrophobicContact CE2-CD1 4.19Å; F17-T314 HydrophobicContact CE1-CG2 3.84Å; F17-T314 HydrophobicContact CE2-CG2 4.13Å; F17-T314 HydrophobicContact CZ-CG2 3.46Å; F17-T314 VanDerWaalsContact CZ-CG2 3.46Å; F17-L318 HydrophobicContact CE2-CD1 3.73Å; F17-L318 HydrophobicContact CZ-CD1 4.05Å
18K97.8Very high95.5Very high102 Ų10262.8 Ų62.844%0.44332%0.317SS..Hα-helixtrans-58-39.5170.8175.4173.8-179.7155.40112.6K14 Y16 C20 T21 I54 V55K14-K18 VanDerWaalsContact O-CB 3.28Å; K14-K18 WeakPolarHBondContact O-CB 3.49Å; K14-K18 PolarHBondContact O-N 2.92Å; Y16-K18 VanDerWaalsContact C-N 3.32Å; Y16-K18 PolarHBondContact O-N 2.97Å; K18-C20 VanDerWaalsContact C-N 3.28Å; K18-C20 PolarHBondContact O-N 2.86Å; K18-T21 PolarHBondContact O-N 2.93Å; K18-T21 PolarHBondContact O-OG1 2.85Å; K18-I54 HydrophobicContact CB-CD1 3.93Å; K18-I54 HydrophobicContact CB-CG1 4.25Å; K18-I54 HydrophobicContact CD-CB 4.46Å; K18-I54 HydrophobicContact CD-CD1 4.13Å; K18-I54 HydrophobicContact CD-CG1 4Å; K18-I54 WeakPolarHBondContact CE-O 3.43Å; K18-I54 HydrophobicContact CG-CG1 4.44Å; K18-I54 PolarHBondContact NZ-O 3.29Å; K18-V55 HydrophobicContact CB-CG1 4.41Å; K18-V55 HydrophobicContact CG-CG1 4.11Å
19R96.9Very high95.4Very high122 Ų12261.9 Ų61.946%0.4632%0.32SS..Hα-helixtrans-64.6-37174.7-77.9175.4-85.2173.9-4.4111I15 Y16 F17 T21 G22 I296I15-R19 WeakPolarHBondContact O-CG 3.18Å; I15-R19 PolarHBondContact O-N 2.84Å; I15-R19 PolarHBondContact O-NE 3.4Å; Y16-R19 WeakPolarHBondContact O-CA 3.39Å; Y16-R19 WeakPolarHBondContact O-CB 3.48Å; Y16-R19 PolarHBondContact O-N 3.32Å; F17-R19 VanDerWaalsContact C-N 3.29Å; F17-R19 PolarHBondContact O-N 3.03Å; R19-T21 VanDerWaalsContact C-N 3.28Å; R19-T21 PolarHBondContact O-N 2.81Å; R19-G22 PolarHBondContact O-N 3.34Å; R19-G22 VanDerWaalsContact O-N 3.11Å; R19-I296 PolarHBondContact NH2-O 3.14Å
20C96.7Very high95.2Very high10 Ų1066.6 Ų66.67%0.06835%0.353CS..Hα-helixtrans-71.4-15.1179.7-60.60000114.9Y16 F17 K18 G22 A42 P311Y16-C20 PolarHBondContact O-N 3.24Å; Y16-C20 VanDerWaalsContact O-N 3.09Å; Y16-C20 PolarHBondContact O-SG 2.77Å; Y16-C20 VanDerWaalsContact O-SG 3.34Å; F17-C20 WeakPolarHBondContact O-CA 3.43Å; F17-C20 WeakPolarHBondContact O-CB 3.49Å; F17-C20 PolarHBondContact O-N 2.73Å; K18-C20 VanDerWaalsContact C-N 3.28Å; K18-C20 PolarHBondContact O-N 2.86Å; C20-G22 VanDerWaalsContact C-N 3.33Å; C20-A42 HydrophobicContact CB-CB 3.63Å; C20-P311 HydrophobicContact CB-CG 4.12Å
21T96.7Very high95.1Very high33 Ų3368 Ų6820%0.20236%0.362CS..THydrogen-bonded Turntrans-84.4-7.8170.166.60000113.1F17 K18 R19 L39 A42 L46 V55 I60F17-T21 PolarHBondContact O-N 3.35Å; K18-T21 PolarHBondContact O-N 2.93Å; K18-T21 PolarHBondContact O-OG1 2.85Å; R19-T21 VanDerWaalsContact C-N 3.28Å; R19-T21 PolarHBondContact O-N 2.81Å; T21-L39 HydrophobicContact CG2-CD1 4.13Å; T21-A42 HydrophobicContact CG2-CB 3.72Å; T21-L46 HydrophobicContact CG2-CD1 4.16Å; T21-V55 HydrophobicContact CG2-CG1 4.37Å; T21-I60 HydrophobicContact CG2-CD1 4.25Å
22G93.9Very high94.9Very high51 Ų5167.8 Ų67.853%0.52636%0.363SS..SBendtrans-109.4-139.3-177.400000113.2R19 C20R19-G22 PolarHBondContact O-N 3.34Å; R19-G22 VanDerWaalsContact O-N 3.11Å; C20-G22 VanDerWaalsContact C-N 3.33Å
23I92.5Very high94.7Very high173 Ų17369.3 Ų69.389%0.88738%0.378SS*.PPolyproline II helixtrans-77.3124.5-179.3-57.8173.7000110
24L91.5Very high94.5Very high56 Ų5670.6 Ų70.629%0.29339%0.387SS..PPolyproline II helixtrans-97.3149.6174.6-61.1178.7000111.1M28 V38L24-M28 HydrophobicContact CB-CB 4.49Å; L24-M28 HydrophobicContact CB-SD 4.17Å; L24-M28 HydrophobicContact CD1-SD 4.22Å; L24-M28 HydrophobicContact CD2-SD 4.08Å; L24-M28 HydrophobicContact CG-SD 4.39Å; L24-V38 HydrophobicContact CD1-CG1 3.84Å
25P91Very high94.5Very high74 Ų7474.2 Ų74.248%0.48140%0.4SS..PPolyproline II helixtrans-67.7155178.328.9-35.5000112.2S27 M28P25-S27 WeakPolarHBondContact CG-OG 3.39Å; P25-S27 PolarHBondContact O-N 2.87Å; P25-M28 HydrophobicContact CG-CG 4.24Å; P25-M28 HydrophobicContact CG-SD 4.27Å; P25-M28 PolarHBondContact O-N 2.8Å
26Y92.9Very high94.4Very high199 Ų19969.8 Ų69.878%0.7838%0.378SS*.G310 helixtrans-54.7-27.4176.7177.7-99.8000113.6M28 V29Y26-M28 PolarHBondContact O-N 3.22Å; Y26-V29 HydrophobicContact CD2-CB 4.35Å; Y26-V29 HydrophobicContact CE2-CB 4.3Å; Y26-V29 HydrophobicContact CE2-CG1 4.32Å; Y26-V29 HydrophobicContact CE2-CG2 4.32Å; Y26-V29 VanDerWaalsContact O-CB 3.26Å; Y26-V29 WeakPolarHBondContact O-CB 3.27Å; Y26-V29 WeakPolarHBondContact O-CG1 3.45Å; Y26-V29 PolarHBondContact O-N 3.12Å
27S91.2Very high94.4Very high98 Ų9870.3 Ų70.369%0.68538%0.382SS*.G310 helixtrans-59.1-17.1174.653.40000114P25P25-S27 WeakPolarHBondContact CG-OG 3.39Å; P25-S27 PolarHBondContact O-N 2.87Å
28M91Very high94.4Very high50 Ų5070.7 Ų70.725%0.24638%0.384CS..G310 helixtrans-98.613.7175.9-64.8-177.2174.600113.4L24 P25 Y26 S30 L31L24-M28 HydrophobicContact CB-CB 4.49Å; L24-M28 HydrophobicContact CB-SD 4.17Å; L24-M28 HydrophobicContact CD1-SD 4.22Å; L24-M28 HydrophobicContact CD2-SD 4.08Å; L24-M28 HydrophobicContact CG-SD 4.39Å; P25-M28 HydrophobicContact CG-CG 4.24Å; P25-M28 HydrophobicContact CG-SD 4.27Å; P25-M28 PolarHBondContact O-N 2.8Å; Y26-M28 PolarHBondContact O-N 3.22Å; M28-S30 PolarHBondContact O-N 3.43Å; M28-S30 VanDerWaalsContact O-N 3.12Å; M28-L31 HydrophobicContact CB-CD1 4.2Å; M28-L31 HydrophobicContact CG-CD1 4.46Å; M28-L31 VanDerWaalsContact O-CB 3.31Å; M28-L31 WeakPolarHBondContact O-CB 3.48Å; M28-L31 PolarHBondContact O-N 3.04Å
29V93.3Very high94.4Very high80 Ų8066.4 Ų66.449%0.48537%0.366SS..G310 helixtrans-57.8-27-178.666.90000113.5Y26 L31 D32Y26-V29 HydrophobicContact CD2-CB 4.35Å; Y26-V29 HydrophobicContact CE2-CB 4.3Å; Y26-V29 HydrophobicContact CE2-CG1 4.32Å; Y26-V29 HydrophobicContact CE2-CG2 4.32Å; Y26-V29 VanDerWaalsContact O-CB 3.26Å; Y26-V29 WeakPolarHBondContact O-CB 3.27Å; Y26-V29 WeakPolarHBondContact O-CG1 3.45Å; Y26-V29 PolarHBondContact O-N 3.12Å; V29-L31 PolarHBondContact O-N 3.47Å; V29-L31 VanDerWaalsContact O-N 3.11Å; V29-D32 WeakPolarHBondContact O-CB 3.39Å; V29-D32 PolarHBondContact O-N 2.99Å
30S93.7Very high94.5Very high98 Ų9860.8 Ų60.869%0.68535%0.345SS*.G310 helixtrans-62.7-15.6173.956.30000113.6M28M28-S30 PolarHBondContact O-N 3.43Å; M28-S30 VanDerWaalsContact O-N 3.12Å
31L93.6Very high94.6Very high57 Ų5761.4 Ų61.430%0.29835%0.347SS..G310 helixtrans-934.9176.7-53.5-179.9000113M28 V29 S33 S34 R35 V38M28-L31 HydrophobicContact CB-CD1 4.2Å; M28-L31 HydrophobicContact CG-CD1 4.46Å; M28-L31 VanDerWaalsContact O-CB 3.31Å; M28-L31 WeakPolarHBondContact O-CB 3.48Å; M28-L31 PolarHBondContact O-N 3.04Å; V29-L31 PolarHBondContact O-N 3.47Å; V29-L31 VanDerWaalsContact O-N 3.11Å; L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 3.2Å; L31-S34 CarbonylContact O-C 3.58Å; L31-S34 WeakPolarHBondContact O-CA 3.18Å; L31-S34 PolarHBondContact O-N 2.81Å; L31-S34 PolarHBondContact O-OG 3.48Å; L31-R35 PolarHBondContact O-N 3.34Å; L31-V38 HydrophobicContact CB-CG2 4.19Å; L31-V38 HydrophobicContact CD1-CG2 3.93Å
32D93.2Very high94.7Very high50 Ų5059.9 Ų59.927%0.26734%0.337SS..G310 helixtrans-60.7-37.3-175-168.833.7000112V29 S34 R35 S84 L86V29-D32 WeakPolarHBondContact O-CB 3.39Å; V29-D32 PolarHBondContact O-N 2.99Å; D32-S34 PolarHBondContact O-N 2.99Å; D32-R35 WeakPolarHBondContact O-CG 3.07Å; D32-R35 WeakPolarHBondContact OD1-CD 3.42Å; D32-R35 IonicContact OD1-NH1 3.69Å; D32-S84 WeakPolarHBondContact O-CB 3.47Å; D32-S84 PolarHBondContact O-OG 2.93Å; D32-L86 WeakPolarHBondContact OD2-CD1 3.49Å
33S93Very high94.9Very high71 Ų7157.4 Ų57.450%0.49731%0.312SS..G310 helixtrans-74.3-4.5174.961.30000114.6L31 G83 M110L31-S33 VanDerWaalsContact C-N 3.28Å; L31-S33 PolarHBondContact O-N 3.2Å; S33-G83 WeakPolarHBondContact O-CA 3.42Å; S33-M110 WeakPolarHBondContact O-CE 3.23Å
34S94.9Very high95.2Very high27 Ų2749.2 Ų49.219%0.18927%0.27CS..G310 helixtrans-128.924.4-176.761.50000113.1L31 D32 I36 V37 V38L31-S34 CarbonylContact O-C 3.58Å; L31-S34 WeakPolarHBondContact O-CA 3.18Å; L31-S34 PolarHBondContact O-N 2.81Å; L31-S34 PolarHBondContact O-OG 3.48Å; D32-S34 PolarHBondContact O-N 2.99Å; S34-I36 VanDerWaalsContact C-N 3.26Å; S34-I36 PolarHBondContact O-N 3.48Å; S34-V37 WeakPolarHBondContact O-CA 3.23Å; S34-V37 WeakPolarHBondContact O-CB 3.2Å; S34-V37 PolarHBondContact O-N 2.61Å; S34-V38 PolarHBondContact O-N 2.68Å; S34-V38 VanDerWaalsContact O-N 3.11Å
35R96.2Very high95.5Very high103 Ų10346.5 Ų46.539%0.38926%0.256SS..Hα-helixtrans-55.9-38-179.5-75.6169.758.5179.50.7113.3L31 D32 V37 V38 L39 G83L31-R35 PolarHBondContact O-N 3.34Å; D32-R35 WeakPolarHBondContact O-CG 3.07Å; D32-R35 WeakPolarHBondContact OD1-CD 3.42Å; D32-R35 IonicContact OD1-NH1 3.69Å; R35-V37 VanDerWaalsContact C-N 3.29Å; R35-V37 PolarHBondContact O-N 3.45Å; R35-V38 PolarHBondContact O-N 3.37Å; R35-L39 WeakPolarHBondContact O-CB 3.47Å; R35-L39 PolarHBondContact O-N 3.03Å; R35-G83 WeakPolarHBondContact CB-O 3.35Å; R35-G83 PolarHBondContact N-O 3Å
36I97.4Very high95.9Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-63.6-33.9175.6-62.4-67.7000112S34 F40 F63 V64 H67 R82 G83 M110 A114S34-I36 VanDerWaalsContact C-N 3.26Å; S34-I36 PolarHBondContact O-N 3.48Å; I36-F40 WeakPolarHBondContact O-CB 3.45Å; I36-F40 PolarHBondContact O-N 2.82Å; I36-F63 HydrophobicContact CD1-CD1 4.33Å; I36-F63 HydrophobicContact CD1-CE1 3.82Å; I36-V64 HydrophobicContact CD1-CG2 4.41Å; I36-H67 HydrophobicContact CD1-CB 4.22Å; I36-H67 HydrophobicContact CG1-CB 4.48Å; I36-R82 WeakPolarHBondContact CG1-O 3.36Å; I36-G83 PolarHBondContact N-O 2.9Å; I36-M110 HydrophobicContact CB-SD 4.5Å; I36-A114 HydrophobicContact CG2-CB 3.92Å
37V98Very high96.1Very high22 Ų2233.5 Ų33.513%0.13320%0.196CC..Hα-helixtrans-69.4-42.1174.4175.90000110.9S34 R35 L39 F40 F41 T109 M110S34-V37 WeakPolarHBondContact O-CA 3.23Å; S34-V37 WeakPolarHBondContact O-CB 3.2Å; S34-V37 PolarHBondContact O-N 2.61Å; R35-V37 VanDerWaalsContact C-N 3.29Å; R35-V37 PolarHBondContact O-N 3.45Å; V37-L39 VanDerWaalsContact C-N 3.31Å; V37-L39 PolarHBondContact O-N 2.86Å; V37-F40 WeakPolarHBondContact O-CB 3.44Å; V37-F40 PolarHBondContact O-N 3.15Å; V37-F41 HydrophobicContact CG1-CD2 4.01Å; V37-F41 HydrophobicContact CG1-CE2 3.42Å; V37-F41 VanDerWaalsContact CG1-CE2 3.42Å; V37-F41 HydrophobicContact CG1-CZ 3.84Å; V37-F41 WeakPolarHBondContact O-CD2 3.18Å; V37-F41 PolarHBondContact O-N 2.77Å; V37-T109 HydrophobicContact CG2-CG2 3.97Å; V37-M110 HydrophobicContact CG2-CE 4.08Å; V37-M110 HydrophobicContact CG2-SD 3.69Å
38V97.6Very high96.4Very high9 Ų928.9 Ų28.96%0.05516%0.163CC..Hα-helixtrans-61.2-44.2175.7179.10000110.8L24 L31 S34 R35 F40 F41 A42 P311L24-V38 HydrophobicContact CD1-CG1 3.84Å; L31-V38 HydrophobicContact CB-CG2 4.19Å; L31-V38 HydrophobicContact CD1-CG2 3.93Å; S34-V38 PolarHBondContact O-N 2.68Å; S34-V38 VanDerWaalsContact O-N 3.11Å; R35-V38 PolarHBondContact O-N 3.37Å; V38-F40 VanDerWaalsContact C-N 3.33Å; V38-F40 PolarHBondContact O-N 3.1Å; V38-F41 PolarHBondContact O-N 2.76Å; V38-A42 WeakPolarHBondContact O-CB 3.48Å; V38-A42 PolarHBondContact O-N 2.75Å; V38-P311 HydrophobicContact CG1-CB 4.46Å; V38-P311 HydrophobicContact CG1-CG 4.06Å
39L98Very high96.7Very high11 Ų1126.5 Ų26.56%0.05815%0.151CC..Hα-helixtrans-63.2-38.9176.1-178.662.8000112.1T21 R35 V37 A42 S43 I60 F63 V64 T117T21-L39 HydrophobicContact CG2-CD1 4.13Å; R35-L39 WeakPolarHBondContact O-CB 3.47Å; R35-L39 PolarHBondContact O-N 3.03Å; V37-L39 VanDerWaalsContact C-N 3.31Å; V37-L39 PolarHBondContact O-N 2.86Å; L39-A42 PolarHBondContact O-N 3.04Å; L39-S43 VanDerWaalsContact O-CB 3.25Å; L39-S43 WeakPolarHBondContact O-CB 3.3Å; L39-S43 PolarHBondContact O-N 3.47Å; L39-S43 PolarHBondContact O-OG 2.92Å; L39-I60 HydrophobicContact CD1-CG2 3.73Å; L39-I60 HydrophobicContact CD2-CG2 3.64Å; L39-I60 HydrophobicContact CG-CG2 4.05Å; L39-F63 HydrophobicContact CD2-CD1 3.78Å; L39-F63 HydrophobicContact CD2-CE1 4.03Å; L39-V64 HydrophobicContact CD2-CG2 3.66Å; L39-T117 HydrophobicContact CD2-CG2 4.14Å; L39-T117 HydrophobicContact CG-CG2 4.08Å
40F98.5Very high96.8Very high4 Ų426.4 Ų26.42%0.01815%0.148CC..Hα-helixtrans-59.3-48.9172.9163.9-105.2000111.4I36 V37 V38 A42 S43 S44 Y112 T117 Y315 I367I36-F40 WeakPolarHBondContact O-CB 3.45Å; I36-F40 PolarHBondContact O-N 2.82Å; V37-F40 WeakPolarHBondContact O-CB 3.44Å; V37-F40 PolarHBondContact O-N 3.15Å; V38-F40 VanDerWaalsContact C-N 3.33Å; V38-F40 PolarHBondContact O-N 3.1Å; F40-A42 PolarHBondContact O-N 3.22Å; F40-S43 PolarHBondContact O-N 3.39Å; F40-S44 WeakPolarHBondContact CD2-OG 3.29Å; F40-S44 WeakPolarHBondContact CE2-OG 3.17Å; F40-S44 WeakPolarHBondContact O-CB 3.23Å; F40-S44 PolarHBondContact O-N 3.41Å; F40-S44 PolarHBondContact O-OG 3.36Å; F40-Y112 HydrophobicContact CE1-CE1 4.12Å; F40-Y112 HydrophobicContact CZ-CE1 4.08Å; F40-Y112 WeakPolarHBondContact CZ-OH 3.38Å; F40-T117 WeakPolarHBondContact CA-OG1 3.28Å; F40-Y315 HydrophobicContact CE1-CE1 4.22Å; F40-Y315 HydrophobicContact CZ-CE1 4.23Å; F40-I367 HydrophobicContact CE2-CG2 4.35Å
41F98.5Very high97Very high24 Ų2421.8 Ų21.811%0.10512%0.116CC..Hα-helixtrans-62.8-41.2177.9-66-40.1000112.6V37 V38 G45 P311 L312 Y315V37-F41 HydrophobicContact CG1-CD2 4.01Å; V37-F41 HydrophobicContact CG1-CE2 3.42Å; V37-F41 VanDerWaalsContact CG1-CE2 3.42Å; V37-F41 HydrophobicContact CG1-CZ 3.84Å; V37-F41 WeakPolarHBondContact O-CD2 3.18Å; V37-F41 PolarHBondContact O-N 2.77Å; V38-F41 PolarHBondContact O-N 2.76Å; F41-G45 PolarHBondContact O-N 2.88Å; F41-P311 HydrophobicContact CB-CB 3.91Å; F41-L312 HydrophobicContact CD2-CB 3.85Å; F41-L312 HydrophobicContact CE2-CB 3.55Å; F41-L312 HydrophobicContact CE2-CD1 3.82Å; F41-L312 HydrophobicContact CE2-CG 3.79Å; F41-L312 HydrophobicContact CZ-CB 4.07Å; F41-L312 HydrophobicContact CZ-CD1 3.9Å; F41-L312 HydrophobicContact CZ-CG 3.82Å; F41-Y315 AromaticContact CD1-CD1 3.47Å; F41-Y315 HydrophobicContact CD1-CD1 3.47Å; F41-Y315 VanDerWaalsContact CD1-CD1 3.47Å; F41-Y315 HydrophobicContact CD1-CE1 4.22Å; F41-Y315 HydrophobicContact CD1-CG 4.21Å; F41-Y315 HydrophobicContact CE1-CD1 4.09Å; F41-Y315 HydrophobicContact CG-CD1 4.42Å
42A98.4Very high97.2Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-64.8-49.7177.500000112.2C20 T21 V38 L39 F40 S44 G45 L46C20-A42 HydrophobicContact CB-CB 3.63Å; T21-A42 HydrophobicContact CG2-CB 3.72Å; V38-A42 WeakPolarHBondContact O-CB 3.48Å; V38-A42 PolarHBondContact O-N 2.75Å; L39-A42 PolarHBondContact O-N 3.04Å; F40-A42 PolarHBondContact O-N 3.22Å; A42-S44 PolarHBondContact O-N 2.69Å; A42-G45 PolarHBondContact O-N 2.82Å; A42-L46 WeakPolarHBondContact O-CG 3.48Å; A42-L46 PolarHBondContact O-N 2.84Å
43S98.5Very high97.3Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-66-39.9-179.4-55.40000111.4L39 F40 L46 A47L39-S43 VanDerWaalsContact O-CB 3.25Å; L39-S43 WeakPolarHBondContact O-CB 3.3Å; L39-S43 PolarHBondContact O-N 3.47Å; L39-S43 PolarHBondContact O-OG 2.92Å; F40-S43 PolarHBondContact O-N 3.39Å; S43-L46 PolarHBondContact O-N 3.01Å; S43-A47 VanDerWaalsContact O-CB 3.28Å; S43-A47 WeakPolarHBondContact O-CB 3.27Å; S43-A47 PolarHBondContact O-N 3.12Å
44S98.5Very high97.5Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-68.8-37.6176.7-53.30000112.1F40 A42 A47 L48 L120 Y315F40-S44 WeakPolarHBondContact CD2-OG 3.29Å; F40-S44 WeakPolarHBondContact CE2-OG 3.17Å; F40-S44 WeakPolarHBondContact O-CB 3.23Å; F40-S44 PolarHBondContact O-N 3.41Å; F40-S44 PolarHBondContact O-OG 3.36Å; A42-S44 PolarHBondContact O-N 2.69Å; S44-A47 PolarHBondContact O-N 2.76Å; S44-L48 VanDerWaalsContact O-CB 3.32Å; S44-L48 WeakPolarHBondContact O-CB 3.18Å; S44-L48 PolarHBondContact O-N 2.78Å; S44-L120 WeakPolarHBondContact OG-CD1 3.31Å; S44-Y315 WeakPolarHBondContact CB-OH 3.34Å
45G98.4Very high97.7Very high0 Ų020.4 Ų20.40%010%0.102CC..Hα-helixtrans-61.4-44.6172.600000112.7F17 F41 A42 L48 L49F17-G45 VanDerWaalsContact CE2-CA 3.5Å; F41-G45 PolarHBondContact O-N 2.88Å; A42-G45 PolarHBondContact O-N 2.82Å; G45-L48 PolarHBondContact O-N 3.36Å; G45-L49 WeakPolarHBondContact O-CG 3.38Å; G45-L49 PolarHBondContact O-N 3.44Å
46L98.4Very high97.7Very high0 Ų019.9 Ų19.90%011%0.107CC..Hα-helixtrans-64.5-41.9172.7-70.5173.8000112.2F17 T21 A42 S43 L48 L49 D50 A51 L52 I54 V55F17-L46 HydrophobicContact CB-CD1 4.43Å; F17-L46 HydrophobicContact CB-CD2 3.8Å; F17-L46 HydrophobicContact CB-CG 3.66Å; T21-L46 HydrophobicContact CG2-CD1 4.16Å; A42-L46 WeakPolarHBondContact O-CG 3.48Å; A42-L46 PolarHBondContact O-N 2.84Å; S43-L46 PolarHBondContact O-N 3.01Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.32Å; L46-L49 CarbonylContact O-C 3.57Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-D50 PolarHBondContact O-N 3.16Å; L46-A51 HydrophobicContact CD2-CB 4.28Å; L46-A51 PolarHBondContact O-N 3Å; L46-L52 HydrophobicContact CB-CD2 3.7Å; L46-L52 HydrophobicContact CB-CG 4.01Å; L46-L52 HydrophobicContact CD1-CD2 4.24Å; L46-I54 HydrophobicContact CD2-CD1 3.62Å; L46-I54 HydrophobicContact CD2-CG1 4.19Å; L46-V55 HydrophobicContact CD1-CG1 3.65Å; L46-V55 HydrophobicContact CD1-CG2 4.31Å
47A98.1Very high97.7Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-61.4-42.8178.700000111.4S43 S44 L49 D50 L52 L120 L359 P368 Y371S43-A47 VanDerWaalsContact O-CB 3.28Å; S43-A47 WeakPolarHBondContact O-CB 3.27Å; S43-A47 PolarHBondContact O-N 3.12Å; S44-A47 PolarHBondContact O-N 2.76Å; A47-L49 PolarHBondContact O-N 2.64Å; A47-D50 WeakPolarHBondContact O-CA 3.47Å; A47-D50 PolarHBondContact O-N 3.47Å; A47-L52 HydrophobicContact CB-CD1 3.64Å; A47-L52 HydrophobicContact CB-CG 4.11Å; A47-L120 HydrophobicContact CB-CD2 3.84Å; A47-L359 VanDerWaalsContact O-CD1 3.23Å; A47-L359 WeakPolarHBondContact O-CD1 3.36Å; A47-P368 HydrophobicContact CB-CG 4.03Å; A47-Y371 HydrophobicContact CB-CE2 3.79Å
48L97.1Very high97.7Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-64.5-29.3179.3-164.568.4000112.6S44 G45 L46 D50 L318 L358 L359 V361 P368S44-L48 VanDerWaalsContact O-CB 3.32Å; S44-L48 WeakPolarHBondContact O-CB 3.18Å; S44-L48 PolarHBondContact O-N 2.78Å; G45-L48 PolarHBondContact O-N 3.36Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.32Å; L48-D50 VanDerWaalsContact C-N 3.31Å; L48-L318 HydrophobicContact CD2-CB 3.66Å; L48-L358 HydrophobicContact CB-CD1 4.47Å; L48-L358 HydrophobicContact CD2-CD1 3.88Å; L48-L358 HydrophobicContact CD2-CG 4.35Å; L48-L358 HydrophobicContact CG-CD1 3.65Å; L48-L358 HydrophobicContact CG-CG 4.04Å; L48-L359 HydrophobicContact CD1-CB 4.33Å; L48-L359 WeakPolarHBondContact CD1-O 3.47Å; L48-L359 PolarHBondContact O-N 2.95Å; L48-V361 HydrophobicContact CD1-CG2 3.47Å; L48-V361 VanDerWaalsContact CD1-CG2 3.47Å; L48-P368 HydrophobicContact CB-CG 4.47Å; L48-P368 HydrophobicContact CD1-CB 4.49Å; L48-P368 HydrophobicContact CD1-CG 4.1Å
49L97Very high97.7Very high0 Ų034.7 Ų34.70%017%0.173CC..THydrogen-bonded Turntrans-89.67175.2-60.8169000113.4R10 L13 K14 F17 G45 L46 A47 A51 L352 L358R10-L49 HydrophobicContact CG-CD2 4.33Å; L13-L49 HydrophobicContact CB-CD1 3.67Å; K14-L49 HydrophobicContact CG-CB 4.46Å; K14-L49 HydrophobicContact CG-CD1 4.12Å; F17-L49 HydrophobicContact CD2-CD1 4.08Å; F17-L49 HydrophobicContact CE2-CD1 4.19Å; G45-L49 WeakPolarHBondContact O-CG 3.38Å; G45-L49 PolarHBondContact O-N 3.44Å; L46-L49 CarbonylContact O-C 3.57Å; L46-L49 PolarHBondContact O-N 3.08Å; A47-L49 PolarHBondContact O-N 2.64Å; L49-A51 HydrophobicContact CB-CB 4.16Å; L49-A51 PolarHBondContact O-N 3.1Å; L49-L352 HydrophobicContact CD2-CD1 4.36Å; L49-L352 HydrophobicContact CD2-CD2 4.07Å; L49-L358 HydrophobicContact CD2-CD1 3.79Å
50D96.1Very high97.7Very high79 Ų7934.8 Ų34.842%0.42217%0.174SC..THydrogen-bonded Turntrans47.444.7-171.6-156.945.1000112.4L46 A47 L48 L359 K370L46-D50 PolarHBondContact O-N 3.16Å; A47-D50 WeakPolarHBondContact O-CA 3.47Å; A47-D50 PolarHBondContact O-N 3.47Å; L48-D50 VanDerWaalsContact C-N 3.31Å; D50-L359 HydrophobicContact CB-CD1 4.41Å; D50-L359 HydrophobicContact CB-CG 4.39Å; D50-K370 IonicContact OD1-NZ 2.78Å; D50-K370 PolarHBondContact OD1-NZ 2.88Å; D50-K370 IonicContact OD2-NZ 3.53Å
51A97.2Very high97.7Very high1 Ų135.2 Ų35.21%0.00818%0.176CC..  trans-125.420-169.300000113.9K14 L46 L49 D53 I54K14-A51 HydrophobicContact CD-CB 3.94Å; K14-A51 HydrophobicContact CG-CB 3.74Å; L46-A51 HydrophobicContact CD2-CB 4.28Å; L46-A51 PolarHBondContact O-N 3Å; L49-A51 HydrophobicContact CB-CB 4.16Å; L49-A51 PolarHBondContact O-N 3.1Å; A51-D53 VanDerWaalsContact CA-OD1 3.31Å; A51-D53 WeakPolarHBondContact CA-OD1 3.41Å; A51-D53 PolarHBondContact O-N 2.71Å; A51-I54 VanDerWaalsContact O-CG1 3.26Å; A51-I54 WeakPolarHBondContact O-CG1 3.48Å; A51-I54 PolarHBondContact O-N 3.16Å
52L97.6Very high97.6Very high2 Ų238.8 Ų38.81%0.0119%0.193CC..G310 helixtrans-68.9-8.8177.9-84.1174.6000113.8L46 A47 I54 V55 R57 L120 L121 Y371L46-L52 HydrophobicContact CB-CD2 3.7Å; L46-L52 HydrophobicContact CB-CG 4.01Å; L46-L52 HydrophobicContact CD1-CD2 4.24Å; A47-L52 HydrophobicContact CB-CD1 3.64Å; A47-L52 HydrophobicContact CB-CG 4.11Å; L52-I54 PolarHBondContact O-N 3.27Å; L52-V55 HydrophobicContact CD2-CG2 4.27Å; L52-V55 WeakPolarHBondContact O-CG2 3.33Å; L52-R57 VanDerWaalsContact C-NH2 3.31Å; L52-R57 PolarHBondContact O-NE 3.44Å; L52-L120 HydrophobicContact CD1-CB 4.27Å; L52-L120 WeakPolarHBondContact CD1-O 3.31Å; L52-L121 HydrophobicContact CD2-CD2 3.96Å; L52-Y371 WeakPolarHBondContact CD1-OH 3.37Å
53D96.8Very high97.6Very high111 Ų11141.7 Ų41.759%0.59421%0.206SC*.G310 helixtrans-69.6-16.9173.762.3-54.4000113.4A51 V55 R57A51-D53 VanDerWaalsContact CA-OD1 3.31Å; A51-D53 WeakPolarHBondContact CA-OD1 3.41Å; A51-D53 PolarHBondContact O-N 2.71Å; D53-V55 VanDerWaalsContact C-N 3.3Å; D53-V55 PolarHBondContact O-N 2.89Å; D53-R57 VanDerWaalsContact N-NH2 3.14Å
54I97.1Very high97.5Very high43 Ų4341.7 Ų41.722%0.22121%0.206CC..G310 helixtrans-83.8-2.6-177.278.1-175000114.4K14 K18 L46 A51 L52K14-I54 HydrophobicContact CB-CD1 4.05Å; K18-I54 HydrophobicContact CB-CD1 3.93Å; K18-I54 HydrophobicContact CB-CG1 4.25Å; K18-I54 HydrophobicContact CD-CB 4.46Å; K18-I54 HydrophobicContact CD-CD1 4.13Å; K18-I54 HydrophobicContact CD-CG1 4Å; K18-I54 WeakPolarHBondContact CE-O 3.43Å; K18-I54 HydrophobicContact CG-CG1 4.44Å; K18-I54 PolarHBondContact NZ-O 3.29Å; L46-I54 HydrophobicContact CD2-CD1 3.62Å; L46-I54 HydrophobicContact CD2-CG1 4.19Å; A51-I54 VanDerWaalsContact O-CG1 3.26Å; A51-I54 WeakPolarHBondContact O-CG1 3.48Å; A51-I54 PolarHBondContact O-N 3.16Å; L52-I54 PolarHBondContact O-N 3.27Å
55V97.6Very high97.5Very high20 Ų2042 Ų4212%0.12121%0.207CC..SBendtrans-120155.5179.3-63.90000110.4K18 T21 L46 L52 D53 R57 I60K18-V55 HydrophobicContact CB-CG1 4.41Å; K18-V55 HydrophobicContact CG-CG1 4.11Å; T21-V55 HydrophobicContact CG2-CG1 4.37Å; L46-V55 HydrophobicContact CD1-CG1 3.65Å; L46-V55 HydrophobicContact CD1-CG2 4.31Å; L52-V55 HydrophobicContact CD2-CG2 4.27Å; L52-V55 WeakPolarHBondContact O-CG2 3.33Å; D53-V55 VanDerWaalsContact C-N 3.3Å; D53-V55 PolarHBondContact O-N 2.89Å; V55-R57 HydrophobicContact CG2-CG 4.45Å; V55-R57 PolarHBondContact O-N 3.3Å; V55-R57 VanDerWaalsContact O-N 3.14Å; V55-I60 HydrophobicContact CB-CD1 3.98Å; V55-I60 HydrophobicContact CG2-CD1 3.88Å
56D97.3Very high97.4Very high92 Ų9242.7 Ų42.749%0.49221%0.212SC..  trans-75.5100.9169.7-169.2-31.1000109.3N58 E59 I60D56-N58 VanDerWaalsContact C-N 3.3Å; D56-N58 PolarHBondContact O-N 2.79Å; D56-N58 PolarHBondContact OD1-N 2.98Å; D56-E59 HydrophobicContact CB-CB 3.9Å; D56-E59 PolarHBondContact OD1-N 3.38Å; D56-I60 WeakPolarHBondContact O-CG1 3.43Å; D56-I60 PolarHBondContact O-N 3.15Å
57R97.4Very high97.3Very high89 Ų8942.8 Ų42.834%0.33621%0.212SC..Hα-helixtrans-66.2-34.4-177.6-59.4-175.3-170.6175.12.9112.1L52 D53 V55 I60 I61 L121L52-R57 VanDerWaalsContact C-NH2 3.31Å; L52-R57 PolarHBondContact O-NE 3.44Å; D53-R57 VanDerWaalsContact N-NH2 3.14Å; V55-R57 HydrophobicContact CG2-CG 4.45Å; V55-R57 PolarHBondContact O-N 3.3Å; V55-R57 VanDerWaalsContact O-N 3.14Å; R57-I60 PolarHBondContact O-N 2.92Å; R57-I61 WeakPolarHBondContact O-CB 3.48Å; R57-I61 WeakPolarHBondContact O-CD1 3.4Å; R57-I61 WeakPolarHBondContact O-CG1 3.34Å; R57-I61 PolarHBondContact O-N 3.36Å; R57-L121 HydrophobicContact CB-CB 4.48Å; R57-L121 HydrophobicContact CB-CD2 4.14Å; R57-L121 WeakPolarHBondContact CD-O 3.41Å; R57-L121 HydrophobicContact CG-CD2 4.02Å
58N97.6Very high97.2Very high116 Ų11643.1 Ų43.162%0.6221%0.214SC*.Hα-helixtrans-71.5-42.7-177.4-69.8-23.4000110.4D56 I60 I61 E62D56-N58 VanDerWaalsContact C-N 3.3Å; D56-N58 PolarHBondContact O-N 2.79Å; D56-N58 PolarHBondContact OD1-N 2.98Å; N58-I60 VanDerWaalsContact C-N 3.29Å; N58-I60 PolarHBondContact O-N 3.16Å; N58-I61 PolarHBondContact O-N 3.32Å; N58-E62 WeakPolarHBondContact O-CG 3.42Å; N58-E62 PolarHBondContact O-N 3.05Å
59E97.3Very high97.1Very high136 Ų13643.1 Ų43.164%0.63621%0.214SC*.Hα-helixtrans-55.9-46174.2-175.3-177.7-173.400111.3D56 E62 F63D56-E59 HydrophobicContact CB-CB 3.9Å; D56-E59 PolarHBondContact OD1-N 3.38Å; E59-E62 PolarHBondContact O-N 3.02Å; E59-F63 WeakPolarHBondContact O-CB 3.28Å; E59-F63 PolarHBondContact O-N 3.23Å
60I98Very high97Very high14 Ų1444.9 Ų44.97%0.07222%0.223CC..Hα-helixtrans-67.4-40.1178.8-59.9170.5000111.2T21 L39 V55 D56 R57 N58 F63 V64 T117 L121T21-I60 HydrophobicContact CG2-CD1 4.25Å; L39-I60 HydrophobicContact CD1-CG2 3.73Å; L39-I60 HydrophobicContact CD2-CG2 3.64Å; L39-I60 HydrophobicContact CG-CG2 4.05Å; V55-I60 HydrophobicContact CB-CD1 3.98Å; V55-I60 HydrophobicContact CG2-CD1 3.88Å; D56-I60 WeakPolarHBondContact O-CG1 3.43Å; D56-I60 PolarHBondContact O-N 3.15Å; R57-I60 PolarHBondContact O-N 2.92Å; N58-I60 VanDerWaalsContact C-N 3.29Å; N58-I60 PolarHBondContact O-N 3.16Å; I60-F63 PolarHBondContact O-N 3.33Å; I60-V64 HydrophobicContact CG2-CG2 4.49Å; I60-V64 WeakPolarHBondContact O-CG2 3.45Å; I60-V64 PolarHBondContact O-N 2.86Å; I60-T117 HydrophobicContact CG2-CG2 4.36Å; I60-L121 HydrophobicContact CB-CD1 3.78Å; I60-L121 HydrophobicContact CD1-CD2 4.44Å; I60-L121 HydrophobicContact CG2-CD1 3.37Å
61I98.3Very high96.8Very high12 Ų1241.8 Ų41.86%0.06221%0.208CC..Hα-helixtrans-58.7-49.2175.2-75.1165.3000110.3R57 N58 F63 V64 Y65 L118 L121 D123R57-I61 WeakPolarHBondContact O-CB 3.48Å; R57-I61 WeakPolarHBondContact O-CD1 3.4Å; R57-I61 WeakPolarHBondContact O-CG1 3.34Å; R57-I61 PolarHBondContact O-N 3.36Å; N58-I61 PolarHBondContact O-N 3.32Å; I61-F63 VanDerWaalsContact C-N 3.33Å; I61-F63 PolarHBondContact O-N 3.41Å; I61-V64 PolarHBondContact O-N 3.04Å; I61-Y65 HydrophobicContact CG2-CD2 3.66Å; I61-Y65 HydrophobicContact CG2-CE2 3.75Å; I61-Y65 VanDerWaalsContact O-CD2 3.29Å; I61-Y65 WeakPolarHBondContact O-CD2 3.18Å; I61-Y65 PolarHBondContact O-N 3.43Å; I61-L118 HydrophobicContact CB-CD2 4.38Å; I61-L118 HydrophobicContact CG1-CD2 4.24Å; I61-L118 HydrophobicContact CG2-CD2 4.03Å; I61-L121 HydrophobicContact CD1-CB 3.94Å; I61-L121 HydrophobicContact CG1-CB 3.81Å; I61-L121 HydrophobicContact CG1-CD1 3.91Å; I61-D123 HydrophobicContact CD1-CB 4.05Å; I61-D123 HydrophobicContact CG1-CB 4.29Å
62E97.5Very high96.3Very high99 Ų9945.2 Ų45.246%0.46323%0.232SC..Hα-helixtrans-62-40.9177.6-64.6-46.2137.600111.9N58 E59 V64 Y65 S66 R127N58-E62 WeakPolarHBondContact O-CG 3.42Å; N58-E62 PolarHBondContact O-N 3.05Å; E59-E62 PolarHBondContact O-N 3.02Å; E62-V64 PolarHBondContact O-N 3.38Å; E62-Y65 PolarHBondContact O-N 3.49Å; E62-S66 PolarHBondContact O-N 2.89Å; E62-R127 VanDerWaalsContact CD-NH2 3.31Å; E62-R127 IonicContact OE1-CZ 3.45Å; E62-R127 IonicContact OE1-NH1 3.27Å; E62-R127 PolarHBondContact OE1-NH1 2.92Å; E62-R127 IonicContact OE1-NH2 3.98Å; E62-R127 PolarHBondContact OE1-NH2 3.25Å; E62-R127 IonicContact OE2-CZ 3.61Å; E62-R127 IonicContact OE2-NH1 2.68Å; E62-R127 PolarHBondContact OE2-NH1 3.08Å; E62-R127 IonicContact OE2-NH2 3.75Å; E62-R127 PolarHBondContact OE2-NH2 3.49Å
63F96.8Very high95.8Very high61 Ų6148.9 Ų48.927%0.26825%0.251SS..Hα-helixtrans-59.8-42.7173.2176.8-93.8000112.3I36 L39 E59 I60 I61 S66 H67I36-F63 HydrophobicContact CD1-CD1 4.33Å; I36-F63 HydrophobicContact CD1-CE1 3.82Å; L39-F63 HydrophobicContact CD2-CD1 3.78Å; L39-F63 HydrophobicContact CD2-CE1 4.03Å; E59-F63 WeakPolarHBondContact O-CB 3.28Å; E59-F63 PolarHBondContact O-N 3.23Å; I60-F63 PolarHBondContact O-N 3.33Å; I61-F63 VanDerWaalsContact C-N 3.33Å; I61-F63 PolarHBondContact O-N 3.41Å; F63-S66 PolarHBondContact O-N 3.34Å; F63-S66 PolarHBondContact O-OG 3.38Å; F63-H67 AromaticContact CD2-CE1 3.89Å; F63-H67 AromaticContact CE1-CE1 3.77Å; F63-H67 AromaticContact CE2-CE1 3.36Å; F63-H67 WeakPolarHBondContact CE2-CE1 3.49Å; F63-H67 AromaticContact CZ-CE1 3.28Å; F63-H67 WeakPolarHBondContact CZ-CE1 3.32Å; F63-H67 AromaticContact CZ-NE2 3.9Å; F63-H67 PolarHBondContact O-CE1 2.91Å; F63-H67 PolarHBondContact O-ND1 3.15Å
64V98Very high95.2Very high0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-65.4-43.6177.71750000110.6I36 L39 I60 I61 E62 S66 H67 F81 A114 T117 L118I36-V64 HydrophobicContact CD1-CG2 4.41Å; L39-V64 HydrophobicContact CD2-CG2 3.66Å; I60-V64 HydrophobicContact CG2-CG2 4.49Å; I60-V64 WeakPolarHBondContact O-CG2 3.45Å; I60-V64 PolarHBondContact O-N 2.86Å; I61-V64 PolarHBondContact O-N 3.04Å; E62-V64 PolarHBondContact O-N 3.38Å; V64-S66 VanDerWaalsContact C-N 3.31Å; V64-S66 PolarHBondContact O-N 3.26Å; V64-H67 WeakPolarHBondContact O-CB 3.31Å; V64-H67 PolarHBondContact O-N 2.99Å; V64-H67 VanDerWaalsContact O-N 3.1Å; V64-F81 HydrophobicContact CG1-CD1 4.41Å; V64-F81 HydrophobicContact CG1-CE1 4.01Å; V64-F81 WeakPolarHBondContact O-CE1 3.42Å; V64-A114 HydrophobicContact CG1-CB 3.65Å; V64-T117 HydrophobicContact CG2-CG2 3.86Å; V64-L118 HydrophobicContact CB-CD2 4.01Å; V64-L118 HydrophobicContact CB-CG 4.31Å; V64-L118 HydrophobicContact CG1-CD1 4.05Å; V64-L118 HydrophobicContact CG1-CD2 3.97Å; V64-L118 HydrophobicContact CG1-CG 3.74Å
65Y97.7Very high94.7Very high8 Ų856.6 Ų56.63%0.03128%0.281CS..Hα-helixtrans-67.6-28.4178.8-82.8-67.8000113.7I61 E62 H67 Q68 P93 L118 D123 R127 V128I61-Y65 HydrophobicContact CG2-CD2 3.66Å; I61-Y65 HydrophobicContact CG2-CE2 3.75Å; I61-Y65 VanDerWaalsContact O-CD2 3.29Å; I61-Y65 WeakPolarHBondContact O-CD2 3.18Å; I61-Y65 PolarHBondContact O-N 3.43Å; E62-Y65 PolarHBondContact O-N 3.49Å; Y65-H67 PolarHBondContact O-N 3.27Å; Y65-H67 VanDerWaalsContact O-N 3.1Å; Y65-Q68 VanDerWaalsContact O-CB 3.27Å; Y65-Q68 WeakPolarHBondContact O-CB 3.38Å; Y65-Q68 PolarHBondContact O-N 3.04Å; Y65-P93 WeakPolarHBondContact O-CG 3.4Å; Y65-L118 HydrophobicContact CD2-CD1 4.45Å; Y65-L118 HydrophobicContact CD2-CD2 3.68Å; Y65-L118 HydrophobicContact CE1-CD1 3.96Å; Y65-L118 HydrophobicContact CE2-CD1 3.95Å; Y65-L118 HydrophobicContact CE2-CD2 3.42Å; Y65-L118 VanDerWaalsContact CE2-CD2 3.42Å; Y65-L118 HydrophobicContact CE2-CG 4.33Å; Y65-D123 PolarHBondContact OH-OD1 2.71Å; Y65-R127 HydrophobicContact CD1-CB 4.19Å; Y65-R127 HydrophobicContact CE1-CB 3.58Å; Y65-R127 HydrophobicContact CE2-CB 4.38Å; Y65-R127 VanDerWaalsContact CE2-NE 3.31Å; Y65-V128 HydrophobicContact CE1-CG2 3.83Å
66S96.2Very high94.2Very high14 Ų1456.6 Ų56.610%0.09828%0.28CS..THydrogen-bonded Turntrans-63-15172.482.60000113.3E62 F63 V64 S91E62-S66 PolarHBondContact O-N 2.89Å; F63-S66 PolarHBondContact O-N 3.34Å; F63-S66 PolarHBondContact O-OG 3.38Å; V64-S66 VanDerWaalsContact C-N 3.31Å; V64-S66 PolarHBondContact O-N 3.26Å; S66-S91 WeakPolarHBondContact CA-O 3.15Å; S66-S91 WeakPolarHBondContact CB-O 3.38Å
67H96.1Very high94Very high2 Ų258.1 Ų58.11%0.00928%0.282CS..THydrogen-bonded Turntrans-98.6-0.7177-66.277.1000112.9I36 F63 V64 Y65 F81 R82 S84 N85I36-H67 HydrophobicContact CD1-CB 4.22Å; I36-H67 HydrophobicContact CG1-CB 4.48Å; F63-H67 AromaticContact CD2-CE1 3.89Å; F63-H67 AromaticContact CE1-CE1 3.77Å; F63-H67 AromaticContact CE2-CE1 3.36Å; F63-H67 WeakPolarHBondContact CE2-CE1 3.49Å; F63-H67 AromaticContact CZ-CE1 3.28Å; F63-H67 WeakPolarHBondContact CZ-CE1 3.32Å; F63-H67 AromaticContact CZ-NE2 3.9Å; F63-H67 PolarHBondContact O-CE1 2.91Å; F63-H67 PolarHBondContact O-ND1 3.15Å; V64-H67 WeakPolarHBondContact O-CB 3.31Å; V64-H67 PolarHBondContact O-N 2.99Å; V64-H67 VanDerWaalsContact O-N 3.1Å; Y65-H67 PolarHBondContact O-N 3.27Å; Y65-H67 VanDerWaalsContact O-N 3.1Å; H67-F81 HydrophobicContact CB-CD1 4.46Å; H67-F81 WeakPolarHBondContact O-CA 3.26Å; H67-R82 HydrophobicContact CB-CB 4.27Å; H67-R82 PolarHBondContact O-N 3.32Å; H67-S84 VanDerWaalsContact CD2-C 3.5Å; H67-S84 WeakPolarHBondContact CD2-CA 3.45Å; H67-S84 WeakPolarHBondContact NE2-CA 3.44Å; H67-N85 PolarHBondContact NE2-N 2.75Å
68Q96.8Very high93.7Very high6 Ų656.3 Ų56.33%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-67.8137.6175.8-175.5165.4-138.300110.6Y65 L70 G80 F81 R82 P93 R127Y65-Q68 VanDerWaalsContact O-CB 3.27Å; Y65-Q68 WeakPolarHBondContact O-CB 3.38Å; Y65-Q68 PolarHBondContact O-N 3.04Å; Q68-L70 HydrophobicContact CG-CD2 3.95Å; Q68-G80 CarbonylContact C-O 3.5Å; Q68-G80 WeakPolarHBondContact CA-O 3.14Å; Q68-F81 HydrophobicContact CB-CD1 4.1Å; Q68-F81 HydrophobicContact CB-CE1 3.67Å; Q68-F81 HydrophobicContact CB-CZ 4Å; Q68-F81 HydrophobicContact CG-CE1 4.25Å; Q68-F81 HydrophobicContact CG-CE2 4.46Å; Q68-F81 HydrophobicContact CG-CZ 4.08Å; Q68-R82 PolarHBondContact O-NH1 2.59Å; Q68-P93 HydrophobicContact CB-CG 4.49Å; Q68-R127 PolarHBondContact NE2-O 2.99Å
69I95.1Very high93.6Very high0 Ų050.8 Ų50.80%025%0.247CC..EExtended strand (participates in β ladder)trans-103.9109.8168.7-57.4166.5000105.8K78 G79 G80 R82 S106I69-K78 HydrophobicContact CG2-CB 4.44Å; I69-K78 WeakPolarHBondContact CG2-O 3.35Å; I69-G79 VanDerWaalsContact O-CA 3.28Å; I69-G79 WeakPolarHBondContact O-CA 3.25Å; I69-G80 PolarHBondContact N-O 3.05Å; I69-G80 PolarHBondContact O-N 2.93Å; I69-R82 HydrophobicContact CD1-CG 3.73Å; I69-R82 HydrophobicContact CG1-CG 3.78Å; I69-S106 VanDerWaalsContact CD1-N 3.25Å
70L95Very high93.5Very high37 Ų3744.3 Ų44.319%0.19422%0.217CC..  trans-75.5151.4175-56.6177.6000109.7Q68 P93 E94 R100 D129Q68-L70 HydrophobicContact CG-CD2 3.95Å; L70-P93 HydrophobicContact CD1-CB 3.85Å; L70-P93 HydrophobicContact CD2-CB 4.48Å; L70-P93 HydrophobicContact CG-CB 3.88Å; L70-E94 HydrophobicContact CD1-CG 4.04Å; L70-R100 PolarHBondContact O-NH1 3.4Å; L70-R100 PolarHBondContact O-NH2 3.22Å; L70-D129 HydrophobicContact CD2-CB 3.83Å
71S91.4Very high93.4Very high14 Ų1443.6 Ų43.610%0.09821%0.213CC..  trans-80.4129.6168.6-79.40000110.5D73 D76 D129 G132S71-D73 VanDerWaalsContact C-N 3.31Å; S71-D73 PolarHBondContact O-N 2.96Å; S71-D76 WeakPolarHBondContact CA-OD2 3.44Å; S71-D76 PolarHBondContact OG-O 3.48Å; S71-D129 PolarHBondContact N-OD2 3.34Å; S71-G132 WeakPolarHBondContact OG-CA 3.45Å
72S87.1Confident93.3Very high73 Ų7343.4 Ų43.451%0.5121%0.212SC..SBendtrans-68.2-30.4178.260.50000113D76S72-D76 PolarHBondContact N-OD2 3.2Å; S72-D76 WeakPolarHBondContact OG-CB 3.48Å; S72-D76 PolarHBondContact OG-OD2 3.1Å
73D87.4Confident93.1Very high80 Ų8039.1 Ų39.143%0.42819%0.194SC..SBendtrans-154.7-161.2179.360.249000112S71 Q75 D76 R131S71-D73 VanDerWaalsContact C-N 3.31Å; S71-D73 PolarHBondContact O-N 2.96Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.3Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.47Å; D73-Q75 PolarHBondContact OD1-N 3.15Å; D73-D76 PolarHBondContact OD1-N 3.32Å; D73-R131 PolarHBondContact O-NH2 3.33Å; D73-R131 VanDerWaalsContact O-NH2 3.14Å
74F82.7Confident92.9Very high163 Ų16336.6 Ų36.672%0.71518%0.184SC*.SBendtrans-81.4-19178.4-72.9-83.8000114.5R131F74-R131 VanDerWaalsContact CD1-CZ 3.48Å
75Q86.4Confident92.5Very high153 Ų15338.4 Ų38.472%0.71519%0.194SC*.SBendtrans-94.6-17.7178.4-61.4-60.9-27.200112.4D73 K77D73-Q75 WeakPolarHBondContact OD1-CA 3.3Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.47Å; D73-Q75 PolarHBondContact OD1-N 3.15Å; Q75-K77 PolarHBondContact O-N 2.88Å; Q75-K77 VanDerWaalsContact O-N 3.15Å
76D88.8Confident92.1Very high19 Ų1943.4 Ų43.410%0.10222%0.221CC..  trans-69.4106.9176.1-175.912.2000112.3S71 S72 D73 K78 R100S71-D76 WeakPolarHBondContact CA-OD2 3.44Å; S71-D76 PolarHBondContact OG-O 3.48Å; S72-D76 PolarHBondContact N-OD2 3.2Å; S72-D76 WeakPolarHBondContact OG-CB 3.48Å; S72-D76 PolarHBondContact OG-OD2 3.1Å; D73-D76 PolarHBondContact OD1-N 3.32Å; D76-K78 VanDerWaalsContact OD1-CB 3.3Å; D76-K78 WeakPolarHBondContact OD1-CB 3.42Å; D76-K78 WeakPolarHBondContact OD1-CG 3.43Å; D76-K78 PolarHBondContact OD1-N 2.88Å; D76-R100 IonicContact OD1-NH1 3.42Å; D76-R100 IonicContact OD2-CZ 3.68Å; D76-R100 IonicContact OD2-NH1 2.93Å; D76-R100 PolarHBondContact OD2-NH1 3.13Å; D76-R100 IonicContact OD2-NH2 2.72Å
77K92Very high91.6Very high124 Ų12446.6 Ų46.654%0.53924%0.236SC..  trans-99.723.7179.9-62.7176.5-174.3-173.30112.9Q75 G136 A139Q75-K77 PolarHBondContact O-N 2.88Å; Q75-K77 VanDerWaalsContact O-N 3.15Å; K77-G136 VanDerWaalsContact O-CA 3.25Å; K77-G136 WeakPolarHBondContact O-CA 3.32Å; K77-A139 HydrophobicContact CB-CB 3.71Å; K77-A139 HydrophobicContact CD-CB 3.85Å; K77-A139 HydrophobicContact CG-CB 4.22Å
78K92Very high91.2Very high51 Ų5149.7 Ų49.722%0.22227%0.268CS..  trans-94.9-5.4178.2-65.2-173.6169.1-162.40114.4I69 D76 K102 S106I69-K78 HydrophobicContact CG2-CB 4.44Å; I69-K78 WeakPolarHBondContact CG2-O 3.35Å; D76-K78 VanDerWaalsContact OD1-CB 3.3Å; D76-K78 WeakPolarHBondContact OD1-CB 3.42Å; D76-K78 WeakPolarHBondContact OD1-CG 3.43Å; D76-K78 PolarHBondContact OD1-N 2.88Å; K78-K102 PolarHBondContact NZ-O 3.46Å; K78-S106 WeakPolarHBondContact O-CB 3.49Å
79G94.3Very high90.6Very high0 Ų050.5 Ų50.50%027%0.274CS..  trans-54.9149.6-174.800000114.3I69 S106I69-G79 VanDerWaalsContact O-CA 3.28Å; I69-G79 WeakPolarHBondContact O-CA 3.25Å; G79-S106 WeakPolarHBondContact O-CB 3.49Å; G79-S106 PolarHBondContact O-OG 3.14Å
80G96.2Very high90.3Very high0 Ų052.4 Ų52.40%029%0.287CS..EExtended strand (participates in β ladder)trans138.6-133.2178.600000112.3Q68 I69 S106Q68-G80 CarbonylContact C-O 3.5Å; Q68-G80 WeakPolarHBondContact CA-O 3.14Å; I69-G80 PolarHBondContact N-O 3.05Å; I69-G80 PolarHBondContact O-N 2.93Å; G80-S106 WeakPolarHBondContact CA-OG 2.97Å
81F96.7Very high90Very high0 Ų054.2 Ų54.20%030%0.303CS..EExtended strand (participates in β ladder)trans-138.2140.8-173.6-73.1-96.1000112.7V64 H67 Q68 S106 H107 M110 V111 A114 L115 L118 V128V64-F81 HydrophobicContact CG1-CD1 4.41Å; V64-F81 HydrophobicContact CG1-CE1 4.01Å; V64-F81 WeakPolarHBondContact O-CE1 3.42Å; H67-F81 HydrophobicContact CB-CD1 4.46Å; H67-F81 WeakPolarHBondContact O-CA 3.26Å; Q68-F81 HydrophobicContact CB-CD1 4.1Å; Q68-F81 HydrophobicContact CB-CE1 3.67Å; Q68-F81 HydrophobicContact CB-CZ 4Å; Q68-F81 HydrophobicContact CG-CE1 4.25Å; Q68-F81 HydrophobicContact CG-CE2 4.46Å; Q68-F81 HydrophobicContact CG-CZ 4.08Å; F81-S106 PolarHBondContact N-OG 3Å; F81-H107 PolarHBondContact O-N 3.22Å; F81-M110 HydrophobicContact CB-CB 4.44Å; F81-M110 WeakPolarHBondContact O-CB 3.18Å; F81-V111 HydrophobicContact CB-CG2 4.4Å; F81-V111 HydrophobicContact CD2-CG1 4.43Å; F81-V111 HydrophobicContact CD2-CG2 4.45Å; F81-A114 HydrophobicContact CB-CB 4Å; F81-A114 HydrophobicContact CD1-CB 3.47Å; F81-A114 VanDerWaalsContact CD1-CB 3.47Å; F81-A114 HydrophobicContact CD2-CB 3.85Å; F81-A114 HydrophobicContact CE1-CB 3.83Å; F81-A114 HydrophobicContact CE2-CB 4.2Å; F81-A114 HydrophobicContact CG-CB 3.48Å; F81-A114 VanDerWaalsContact CG-CB 3.48Å; F81-A114 HydrophobicContact CZ-CB 4.19Å; F81-L115 HydrophobicContact CE2-CD2 4.22Å; F81-L118 HydrophobicContact CZ-CD1 4.35Å; F81-V128 HydrophobicContact CE2-CG1 4.47Å; F81-V128 HydrophobicContact CZ-CG2 4.49Å
82R94.7Very high90Very high7 Ų756.8 Ų56.83%0.02632%0.316CS..  trans-77.8156.8168.7-57.6176.8-167.891.33.6110.1I36 H67 Q68 I69 D104I36-R82 WeakPolarHBondContact CG1-O 3.36Å; H67-R82 HydrophobicContact CB-CB 4.27Å; H67-R82 PolarHBondContact O-N 3.32Å; Q68-R82 PolarHBondContact O-NH1 2.59Å; I69-R82 HydrophobicContact CD1-CG 3.73Å; I69-R82 HydrophobicContact CG1-CG 3.78Å; R82-D104 WeakPolarHBondContact CD-OD1 3.47Å; R82-D104 IonicContact CZ-OD1 3.61Å; R82-D104 IonicContact CZ-OD2 3.36Å; R82-D104 VanDerWaalsContact NE-CG 3.33Å; R82-D104 IonicContact NE-OD1 2.88Å; R82-D104 PolarHBondContact NE-OD1 3.33Å; R82-D104 IonicContact NE-OD2 4Å; R82-D104 PolarHBondContact NE-OD2 3.39Å; R82-D104 IonicContact NH2-OD1 2.59Å; R82-D104 IonicContact NH2-OD2 2.75Å; R82-D104 PolarHBondContact NH2-OD2 3.25Å
83G93.6Very high90.1Very high9 Ų954.4 Ų54.49%0.09330%0.299CS..SBendtrans-81.3-26.9169.600000113.7S33 R35 I36 M110S33-G83 WeakPolarHBondContact O-CA 3.42Å; R35-G83 WeakPolarHBondContact CB-O 3.35Å; R35-G83 PolarHBondContact N-O 3Å; I36-G83 PolarHBondContact N-O 2.9Å; G83-M110 VanDerWaalsContact CA-SD 3.56Å
84S93Very high90.3Very high9 Ų957.3 Ų57.36%0.06331%0.31CS..  trans-166.3173.9172.862.50000111.2D32 H67 L86D32-S84 WeakPolarHBondContact O-CB 3.47Å; D32-S84 PolarHBondContact O-OG 2.93Å; H67-S84 VanDerWaalsContact CD2-C 3.5Å; H67-S84 WeakPolarHBondContact CD2-CA 3.45Å; H67-S84 WeakPolarHBondContact NE2-CA 3.44Å; S84-L86 PolarHBondContact O-N 3.02Å; S84-L86 WeakPolarHBondContact OG-CB 3.32Å; S84-L86 PolarHBondContact OG-N 2.92Å
85N89.7Confident90.6Very high37 Ų3754.9 Ų54.920%0.19830%0.301CS..SBendtrans-83.928.6171.2-68.7-14.5000113.4H67 I87 G88 S91H67-N85 PolarHBondContact NE2-N 2.75Å; N85-I87 PolarHBondContact O-N 3.19Å; N85-I87 VanDerWaalsContact O-N 3.08Å; N85-G88 PolarHBondContact O-N 3.44Å; N85-S91 PolarHBondContact ND2-OG 3.37Å
86L89.1Confident90.7Very high114 Ų11447.9 Ų47.960%0.59727%0.269SS*.THydrogen-bonded Turntrans-51.5-34.2-177.7176.369.8000113.6D32 S84 G88D32-L86 WeakPolarHBondContact OD2-CD1 3.49Å; S84-L86 PolarHBondContact O-N 3.02Å; S84-L86 WeakPolarHBondContact OG-CB 3.32Å; S84-L86 PolarHBondContact OG-N 2.92Å; L86-G88 VanDerWaalsContact C-N 3.28Å; L86-G88 PolarHBondContact O-N 3.46Å
87I86.4Confident90.6Very high81 Ų8148.5 Ų48.542%0.41527%0.273SS..THydrogen-bonded Turntrans-84.84.2-179.660.9169.8000113.9N85 C89 D104N85-I87 PolarHBondContact O-N 3.19Å; N85-I87 VanDerWaalsContact O-N 3.08Å; I87-C89 WeakPolarHBondContact CD1-SG 3.42Å; I87-C89 VanDerWaalsContact CG1-SG 3.57Å; I87-D104 HydrophobicContact CD1-CB 3.58Å
88G86Confident90.4Very high67 Ų6750 Ų5069%0.69129%0.286SS*.  trans79.523.7175.300000115.4N85 L86N85-G88 PolarHBondContact O-N 3.44Å; L86-G88 VanDerWaalsContact C-N 3.28Å; L86-G88 PolarHBondContact O-N 3.46Å
89C85.6Confident90Very high22 Ų2254.6 Ų54.615%0.14931%0.313CS..  trans-63.7150.9175-68.70000112.1I87 A96I87-C89 WeakPolarHBondContact CD1-SG 3.42Å; I87-C89 VanDerWaalsContact CG1-SG 3.57Å; C89-A96 HydrophobicContact CB-CB 4.49Å
90S88.2Confident89.6Confident40 Ų4056.8 Ų56.828%0.2832%0.322SS..  trans-55.7145.5168-174.90000109.9D92 E95S90-D92 PolarHBondContact OG-N 3.3Å; S90-D92 VanDerWaalsContact OG-N 3.16Å; S90-E95 PolarHBondContact OG-OE2 2.87Å
91S88.9Confident89.1Confident75 Ų7558.9 Ų58.952%0.52434%0.337SS..SBendtrans-77.8-9.2172.5-580000112S66 N85 P93S66-S91 WeakPolarHBondContact CA-O 3.15Å; S66-S91 WeakPolarHBondContact CB-O 3.38Å; N85-S91 PolarHBondContact ND2-OG 3.37Å; S91-P93 WeakPolarHBondContact O-CD 3.4Å
92D91.8Very high88.7Confident68 Ų6865.9 Ų65.936%0.36437%0.367SS..SBendtrans-89.1116.5167.1-173.1-28.9000109.6S90 E94 E95 A96S90-D92 PolarHBondContact OG-N 3.3Å; S90-D92 VanDerWaalsContact OG-N 3.16Å; D92-E94 VanDerWaalsContact C-N 3.25Å; D92-E94 PolarHBondContact O-N 2.9Å; D92-E94 WeakPolarHBondContact OD1-CB 3.18Å; D92-E94 PolarHBondContact OD1-N 3.11Å; D92-E95 HydrophobicContact CB-CB 4.01Å; D92-E95 HydrophobicContact CB-CG 3.85Å; D92-E95 PolarHBondContact O-N 3.38Å; D92-A96 WeakPolarHBondContact O-CB 3.38Å; D92-A96 PolarHBondContact O-N 2.95Å
93P89.4Confident88.4Confident24 Ų2472.3 Ų72.316%0.15639%0.392CS..Hα-helixtrans-60.2-29.1179-25.536.6000114.8Y65 Q68 L70 S91 T97Y65-P93 WeakPolarHBondContact O-CG 3.4Å; Q68-P93 HydrophobicContact CB-CG 4.49Å; L70-P93 HydrophobicContact CD1-CB 3.85Å; L70-P93 HydrophobicContact CD2-CB 4.48Å; L70-P93 HydrophobicContact CG-CB 3.88Å; S91-P93 WeakPolarHBondContact O-CD 3.4Å; P93-T97 PolarHBondContact O-N 3.41Å; P93-T97 PolarHBondContact O-OG1 3.26Å
94E90.2Very high88.2Confident140 Ų14072 Ų7265%0.65439%0.388SS*.Hα-helixtrans-72.6-47.6177.5-64.3-173179.800110.2L70 D92 A96 T97 L98L70-E94 HydrophobicContact CD1-CG 4.04Å; D92-E94 VanDerWaalsContact C-N 3.25Å; D92-E94 PolarHBondContact O-N 2.9Å; D92-E94 WeakPolarHBondContact OD1-CB 3.18Å; D92-E94 PolarHBondContact OD1-N 3.11Å; E94-A96 PolarHBondContact O-N 3.07Å; E94-T97 WeakPolarHBondContact O-CB 3.4Å; E94-T97 PolarHBondContact O-N 3.16Å; E94-T97 VanDerWaalsContact O-N 3.12Å; E94-L98 PolarHBondContact O-N 3.44Å
95E90.4Very high88Confident113 Ų11372.5 Ų72.553%0.52840%0.395SS..Hα-helixtrans-61.6-43.4174.3-65.5-175.2162.200111.9S90 D92 T97 L98S90-E95 PolarHBondContact OG-OE2 2.87Å; D92-E95 HydrophobicContact CB-CB 4.01Å; D92-E95 HydrophobicContact CB-CG 3.85Å; D92-E95 PolarHBondContact O-N 3.38Å; E95-T97 PolarHBondContact O-N 3.41Å; E95-T97 VanDerWaalsContact O-N 3.15Å; E95-L98 WeakPolarHBondContact O-CB 3.44Å; E95-L98 PolarHBondContact O-N 3.27Å
96A88.1Confident88.2Confident5 Ų570.9 Ų70.94%0.04139%0.387CS..Hα-helixtrans-62.6-21177.800000112.8C89 D92 E94C89-A96 HydrophobicContact CB-CB 4.49Å; D92-A96 WeakPolarHBondContact O-CB 3.38Å; D92-A96 PolarHBondContact O-N 2.95Å; E94-A96 PolarHBondContact O-N 3.07Å
97T87.1Confident88.6Confident32 Ų3267.4 Ų67.420%0.19637%0.368CS..Hα-helixtrans-79.7-28.3175.5-64.10000112.3P93 E94 E95 R100P93-T97 PolarHBondContact O-N 3.41Å; P93-T97 PolarHBondContact O-OG1 3.26Å; E94-T97 WeakPolarHBondContact O-CB 3.4Å; E94-T97 PolarHBondContact O-N 3.16Å; E94-T97 VanDerWaalsContact O-N 3.12Å; E95-T97 PolarHBondContact O-N 3.41Å; E95-T97 VanDerWaalsContact O-N 3.15Å; T97-R100 PolarHBondContact OG1-NH2 2.96Å
98L86.6Confident89.1Confident156 Ų15663.6 Ų63.682%0.81735%0.348SS*.Hα-helixtrans-72.1-34.9179.7-63.3174000113E94 E95E94-L98 PolarHBondContact O-N 3.44Å; E95-L98 WeakPolarHBondContact O-CB 3.44Å; E95-L98 PolarHBondContact O-N 3.27Å
99D84.1Confident89.7Confident148 Ų14861.9 Ų61.979%0.79132%0.324SS*.THydrogen-bonded Turntrans-127.459.6179-170.719.4000111.2S101D99-S101 PolarHBondContact O-N 3.02Å
100R85.5Confident90.3Very high45 Ų4561.5 Ų61.517%0.1732%0.32CS..  trans-76.7117.4-177.1-169178.3-57.3161.59.5111.5L70 D76 T97 D104L70-R100 PolarHBondContact O-NH1 3.4Å; L70-R100 PolarHBondContact O-NH2 3.22Å; D76-R100 IonicContact OD1-NH1 3.42Å; D76-R100 IonicContact OD2-CZ 3.68Å; D76-R100 IonicContact OD2-NH1 2.93Å; D76-R100 PolarHBondContact OD2-NH1 3.13Å; D76-R100 IonicContact OD2-NH2 2.72Å; T97-R100 PolarHBondContact OG1-NH2 2.96Å; R100-D104 HydrophobicContact CG-CB 3.69Å; R100-D104 WeakPolarHBondContact CG-OD2 3.17Å
101S86.8Confident90.8Very high45 Ų4559.6 Ų59.632%0.31531%0.307SS..  trans-53.6140.6168.2175.40000111.4D99 Y103 D104D99-S101 PolarHBondContact O-N 3.02Å; S101-Y103 PolarHBondContact O-N 2.89Å; S101-Y103 VanDerWaalsContact O-N 3.07Å; S101-Y103 PolarHBondContact OG-N 3.47Å; S101-D104 VanDerWaalsContact O-CB 3.31Å; S101-D104 WeakPolarHBondContact O-CB 3.44Å; S101-D104 PolarHBondContact O-N 2.9Å
102K87.2Confident91.2Very high147 Ų14756.6 Ų56.664%0.63928%0.284SS*.THydrogen-bonded Turntrans-58.5-23.1172.864.2176173.6168.30113.2K78K78-K102 PolarHBondContact NZ-O 3.46Å
103Y88.6Confident91.6Very high142 Ų14253.5 Ų53.556%0.55727%0.268SS*.THydrogen-bonded Turntrans-93.12.3177.9-57.4-68.3000113.8S101 I154S101-Y103 PolarHBondContact O-N 2.89Å; S101-Y103 VanDerWaalsContact O-N 3.07Å; S101-Y103 PolarHBondContact OG-N 3.47Å; Y103-I154 VanDerWaalsContact CA-CD1 3.45Å; Y103-I154 WeakPolarHBondContact O-CD1 3.25Å
104D89.3Confident92Very high1 Ų152.3 Ų52.31%0.00526%0.26CS..  trans-79.2120.6170.3-171.722.5000109.6R82 I87 R100 S101R82-D104 WeakPolarHBondContact CD-OD1 3.47Å; R82-D104 IonicContact CZ-OD1 3.61Å; R82-D104 IonicContact CZ-OD2 3.36Å; R82-D104 VanDerWaalsContact NE-CG 3.33Å; R82-D104 IonicContact NE-OD1 2.88Å; R82-D104 PolarHBondContact NE-OD1 3.33Å; R82-D104 IonicContact NE-OD2 4Å; R82-D104 PolarHBondContact NE-OD2 3.39Å; R82-D104 IonicContact NH2-OD1 2.59Å; R82-D104 IonicContact NH2-OD2 2.75Å; R82-D104 PolarHBondContact NH2-OD2 3.25Å; I87-D104 HydrophobicContact CD1-CB 3.58Å; R100-D104 HydrophobicContact CG-CB 3.69Å; R100-D104 WeakPolarHBondContact CG-OD2 3.17Å; S101-D104 VanDerWaalsContact O-CB 3.31Å; S101-D104 WeakPolarHBondContact O-CB 3.44Å; S101-D104 PolarHBondContact O-N 2.9Å
105G89.4Confident92.4Very high21 Ų2145.7 Ų45.722%0.21623%0.229CC..  trans-154.8140.1-171.700000112.1
106S94.4Very high92.8Very high3 Ų340.3 Ų40.32%0.02120%0.204CC..  trans-69.4152.8174178.20000111I69 K78 G79 G80 F81 V111 M140 G152I69-S106 VanDerWaalsContact CD1-N 3.25Å; K78-S106 WeakPolarHBondContact O-CB 3.49Å; G79-S106 WeakPolarHBondContact O-CB 3.49Å; G79-S106 PolarHBondContact O-OG 3.14Å; G80-S106 WeakPolarHBondContact CA-OG 2.97Å; F81-S106 PolarHBondContact N-OG 3Å; S106-V111 VanDerWaalsContact OG-CG2 3.28Å; S106-V111 WeakPolarHBondContact OG-CG2 3.48Å; S106-M140 VanDerWaalsContact O-CE 3.31Å; S106-M140 WeakPolarHBondContact O-CE 3.48Å; S106-G152 WeakPolarHBondContact O-CA 3.14Å
107H96.4Very high93.3Very high41 Ų4140 Ų4019%0.1920%0.202CC..BIsolated β-bridgetrans-130.4127.7174.1-179.3-57.9000109.7F81 T109 M110 V111 A151 F162F81-H107 PolarHBondContact O-N 3.22Å; H107-T109 VanDerWaalsContact C-N 3.3Å; H107-T109 PolarHBondContact CE1-OG1 3.45Å; H107-T109 PolarHBondContact ND1-N 2.98Å; H107-T109 VanDerWaalsContact ND1-N 3.18Å; H107-T109 PolarHBondContact O-N 3.29Å; H107-T109 VanDerWaalsContact O-N 3.14Å; H107-M110 HydrophobicContact CB-CB 4.32Å; H107-M110 HydrophobicContact CB-CG 3.73Å; H107-M110 WeakPolarHBondContact O-CA 3.3Å; H107-M110 WeakPolarHBondContact O-CB 3.27Å; H107-M110 PolarHBondContact O-N 3.17Å; H107-V111 PolarHBondContact O-N 2.73Å; H107-A151 CarbonylContact C-O 3.45Å; H107-A151 VanDerWaalsContact CA-O 3.24Å; H107-A151 WeakPolarHBondContact CA-O 3.33Å; H107-F162 AromaticContact CE1-CE1 3.85Å
108V97.5Very high93.9Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-52.7-43.3-171.5-63.40000113.4M110 V111 Y112 L137 M140 A151 F162 A166V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 PolarHBondContact O-N 3.49Å; V108-V111 WeakPolarHBondContact O-CB 3.28Å; V108-V111 PolarHBondContact O-N 3.42Å; V108-Y112 PolarHBondContact O-N 3.44Å; V108-L137 HydrophobicContact CB-CD2 4.43Å; V108-L137 HydrophobicContact CG1-CD2 4.02Å; V108-M140 HydrophobicContact CB-SD 4.45Å; V108-M140 HydrophobicContact CG1-CB 4.22Å; V108-M140 HydrophobicContact CG1-CG 4.38Å; V108-M140 HydrophobicContact CG1-SD 3.22Å; V108-M140 WeakPolarHBondContact CG1-SD 3.38Å; V108-A151 PolarHBondContact N-O 3.31Å; V108-F162 HydrophobicContact CG2-CB 3.72Å; V108-F162 HydrophobicContact CG2-CD1 3.45Å; V108-F162 VanDerWaalsContact CG2-CD1 3.45Å; V108-F162 HydrophobicContact CG2-CE1 4.46Å; V108-F162 HydrophobicContact CG2-CG 3.9Å; V108-A166 HydrophobicContact CG1-CB 4.39Å
109T97.9Very high94.4Very high32 Ų3231.1 Ų31.120%0.19615%0.154CC..Hα-helixtrans-66.8-30.2179-51.50000112.7V37 H107 S113 S165V37-T109 HydrophobicContact CG2-CG2 3.97Å; H107-T109 VanDerWaalsContact C-N 3.3Å; H107-T109 PolarHBondContact CE1-OG1 3.45Å; H107-T109 PolarHBondContact ND1-N 2.98Å; H107-T109 VanDerWaalsContact ND1-N 3.18Å; H107-T109 PolarHBondContact O-N 3.29Å; H107-T109 VanDerWaalsContact O-N 3.14Å; T109-S113 VanDerWaalsContact O-CB 3.26Å; T109-S113 WeakPolarHBondContact O-CB 3.24Å; T109-S113 PolarHBondContact O-N 2.87Å; T109-S113 PolarHBondContact O-OG 3.18Å; T109-S165 PolarHBondContact OG1-OG 2.66Å
110M97.8Very high95.1Very high13 Ų1324 Ų246%0.06412%0.116CC..Hα-helixtrans-74.3-38176-51.1-56.2160.700110.3S33 I36 V37 F81 G83 H107 V108 S113 A114S33-M110 WeakPolarHBondContact O-CE 3.23Å; I36-M110 HydrophobicContact CB-SD 4.5Å; V37-M110 HydrophobicContact CG2-CE 4.08Å; V37-M110 HydrophobicContact CG2-SD 3.69Å; F81-M110 HydrophobicContact CB-CB 4.44Å; F81-M110 WeakPolarHBondContact O-CB 3.18Å; G83-M110 VanDerWaalsContact CA-SD 3.56Å; H107-M110 HydrophobicContact CB-CB 4.32Å; H107-M110 HydrophobicContact CB-CG 3.73Å; H107-M110 WeakPolarHBondContact O-CA 3.3Å; H107-M110 WeakPolarHBondContact O-CB 3.27Å; H107-M110 PolarHBondContact O-N 3.17Å; V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 PolarHBondContact O-N 3.49Å; M110-S113 PolarHBondContact O-N 2.79Å; M110-A114 WeakPolarHBondContact O-CB 3.46Å; M110-A114 PolarHBondContact O-N 2.93Å
111V98.5Very high95.7Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-58.6-53.6172-178.50000110.4F81 S106 H107 V108 S113 A114 L115 T133 L137F81-V111 HydrophobicContact CB-CG2 4.4Å; F81-V111 HydrophobicContact CD2-CG1 4.43Å; F81-V111 HydrophobicContact CD2-CG2 4.45Å; S106-V111 VanDerWaalsContact OG-CG2 3.28Å; S106-V111 WeakPolarHBondContact OG-CG2 3.48Å; H107-V111 PolarHBondContact O-N 2.73Å; V108-V111 WeakPolarHBondContact O-CB 3.28Å; V108-V111 PolarHBondContact O-N 3.42Å; V111-S113 VanDerWaalsContact C-N 3.32Å; V111-S113 PolarHBondContact O-N 2.83Å; V111-A114 PolarHBondContact O-N 3.41Å; V111-L115 HydrophobicContact CG1-CD1 3.72Å; V111-L115 HydrophobicContact CG1-CG 4.22Å; V111-L115 WeakPolarHBondContact O-CB 3.49Å; V111-L115 VanDerWaalsContact O-CG 3.24Å; V111-L115 WeakPolarHBondContact O-CG 3.39Å; V111-L115 PolarHBondContact O-N 3Å; V111-T133 HydrophobicContact CG1-CG2 3.64Å; V111-L137 HydrophobicContact CB-CD2 4.41Å; V111-L137 HydrophobicContact CG1-CD1 4.28Å; V111-L137 HydrophobicContact CG1-CD2 4.33Å; V111-L137 HydrophobicContact CG2-CD2 4.4Å
112Y98.8Very high96.2Very high13 Ų1321.9 Ų21.95%0.05111%0.113CC..Hα-helixtrans-56.1-46.7177.9162.4-107.4000112.1F40 V108 S116 F164 A168 S169 I172 L365F40-Y112 HydrophobicContact CE1-CE1 4.12Å; F40-Y112 HydrophobicContact CZ-CE1 4.08Å; F40-Y112 WeakPolarHBondContact CZ-OH 3.38Å; V108-Y112 PolarHBondContact O-N 3.44Å; Y112-S116 WeakPolarHBondContact CE2-OG 3.34Å; Y112-S116 VanDerWaalsContact O-CB 3.27Å; Y112-S116 WeakPolarHBondContact O-CB 3.45Å; Y112-S116 PolarHBondContact O-N 2.95Å; Y112-S116 PolarHBondContact O-OG 3.41Å; Y112-F164 HydrophobicContact CE1-CE1 4.16Å; Y112-F164 HydrophobicContact CE2-CE1 4.21Å; Y112-F164 HydrophobicContact CE2-CZ 4.26Å; Y112-F164 AromaticContact CZ-CE1 3.95Å; Y112-A168 HydrophobicContact CD2-CB 3.67Å; Y112-A168 HydrophobicContact CE2-CB 3.96Å; Y112-S169 VanDerWaalsContact CA-OG 3.28Å; Y112-S169 WeakPolarHBondContact CA-OG 3.43Å; Y112-S169 WeakPolarHBondContact CB-OG 3.26Å; Y112-S169 PolarHBondContact N-OG 3.02Å; Y112-S169 VanDerWaalsContact N-OG 3.17Å; Y112-I172 HydrophobicContact CD2-CD1 4.38Å; Y112-L365 PolarHBondContact OH-O 3.09Å
113S98.8Very high96.7Very high2 Ų215.8 Ų15.81%0.0149%0.088CC..Hα-helixtrans-67.3-40.6-178-60.30000112T109 M110 V111 T117T109-S113 VanDerWaalsContact O-CB 3.26Å; T109-S113 WeakPolarHBondContact O-CB 3.24Å; T109-S113 PolarHBondContact O-N 2.87Å; T109-S113 PolarHBondContact O-OG 3.18Å; M110-S113 PolarHBondContact O-N 2.79Å; V111-S113 VanDerWaalsContact C-N 3.32Å; V111-S113 PolarHBondContact O-N 2.83Å; S113-T117 VanDerWaalsContact O-CB 3.25Å; S113-T117 WeakPolarHBondContact O-CB 3.43Å; S113-T117 PolarHBondContact O-N 3.37Å; S113-T117 PolarHBondContact O-OG1 3.42Å
114A98.7Very high97.1Very high0 Ų012.3 Ų12.30%08%0.079CC..Hα-helixtrans-64.9-52.1177.300000111.4I36 V64 F81 M110 V111 S116 T117 L118I36-A114 HydrophobicContact CG2-CB 3.92Å; V64-A114 HydrophobicContact CG1-CB 3.65Å; F81-A114 HydrophobicContact CB-CB 4Å; F81-A114 HydrophobicContact CD1-CB 3.47Å; F81-A114 VanDerWaalsContact CD1-CB 3.47Å; F81-A114 HydrophobicContact CD2-CB 3.85Å; F81-A114 HydrophobicContact CE1-CB 3.83Å; F81-A114 HydrophobicContact CE2-CB 4.2Å; F81-A114 HydrophobicContact CG-CB 3.48Å; F81-A114 VanDerWaalsContact CG-CB 3.48Å; F81-A114 HydrophobicContact CZ-CB 4.19Å; M110-A114 WeakPolarHBondContact O-CB 3.46Å; M110-A114 PolarHBondContact O-N 2.93Å; V111-A114 PolarHBondContact O-N 3.41Å; A114-S116 VanDerWaalsContact C-N 3.33Å; A114-S116 PolarHBondContact O-N 3.1Å; A114-T117 PolarHBondContact O-N 3.11Å; A114-L118 WeakPolarHBondContact O-CG 3.28Å; A114-L118 PolarHBondContact O-N 3.26Å
115L98.8Very high97.5Very high0 Ų012.5 Ų12.50%08%0.08CC..Hα-helixtrans-60.1-44.3-180-67176000111.8F81 V111 L118 L119 L125 V128 I172 L173F81-L115 HydrophobicContact CE2-CD2 4.22Å; V111-L115 HydrophobicContact CG1-CD1 3.72Å; V111-L115 HydrophobicContact CG1-CG 4.22Å; V111-L115 WeakPolarHBondContact O-CB 3.49Å; V111-L115 VanDerWaalsContact O-CG 3.24Å; V111-L115 WeakPolarHBondContact O-CG 3.39Å; V111-L115 PolarHBondContact O-N 3Å; L115-L118 PolarHBondContact O-N 3.08Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 PolarHBondContact O-N 3.17Å; L115-L125 HydrophobicContact CD2-CD2 4.32Å; L115-V128 HydrophobicContact CD2-CG1 4.06Å; L115-V128 HydrophobicContact CD2-CG2 4.01Å; L115-I172 HydrophobicContact CB-CD1 4.29Å; L115-I172 HydrophobicContact CB-CG2 3.99Å; L115-I172 HydrophobicContact CD1-CB 4.48Å; L115-I172 HydrophobicContact CD1-CG2 4.36Å; L115-L173 HydrophobicContact CD1-CD1 3.96Å; L115-L173 HydrophobicContact CD1-CD2 4.16Å; L115-L173 HydrophobicContact CD1-CG 3.79Å; L115-L173 HydrophobicContact CD2-CD2 3.86Å; L115-L173 HydrophobicContact CD2-CG 4.41Å
116S98.7Very high97.8Very high0 Ų015.3 Ų15.30%010%0.096CC..Hα-helixtrans-63.3-44.8176.2-58.10000111Y112 A114 L118 L119 L120Y112-S116 WeakPolarHBondContact CE2-OG 3.34Å; Y112-S116 VanDerWaalsContact O-CB 3.27Å; Y112-S116 WeakPolarHBondContact O-CB 3.45Å; Y112-S116 PolarHBondContact O-N 2.95Å; Y112-S116 PolarHBondContact O-OG 3.41Å; A114-S116 VanDerWaalsContact C-N 3.33Å; A114-S116 PolarHBondContact O-N 3.1Å; S116-L118 PolarHBondContact O-N 3.39Å; S116-L119 PolarHBondContact O-N 2.66Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.34Å
117T98.7Very high97.9Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-59.8-46.9177.5-60.10000111.9L39 F40 I60 V64 S113 A114 L119 L120 L121L39-T117 HydrophobicContact CD2-CG2 4.14Å; L39-T117 HydrophobicContact CG-CG2 4.08Å; F40-T117 WeakPolarHBondContact CA-OG1 3.28Å; I60-T117 HydrophobicContact CG2-CG2 4.36Å; V64-T117 HydrophobicContact CG2-CG2 3.86Å; S113-T117 VanDerWaalsContact O-CB 3.25Å; S113-T117 WeakPolarHBondContact O-CB 3.43Å; S113-T117 PolarHBondContact O-N 3.37Å; S113-T117 PolarHBondContact O-OG1 3.42Å; A114-T117 PolarHBondContact O-N 3.11Å; T117-L119 PolarHBondContact O-N 3.01Å; T117-L120 PolarHBondContact O-N 3.05Å; T117-L121 HydrophobicContact CG2-CD1 3.7Å; T117-L121 HydrophobicContact CG2-CG 4.41Å; T117-L121 VanDerWaalsContact O-CG 3.26Å; T117-L121 WeakPolarHBondContact O-CG 3.36Å; T117-L121 PolarHBondContact O-N 2.85Å
118L98.7Very high98Very high0 Ų018.6 Ų18.60%011%0.108CC..Hα-helixtrans-57.5-47.4175.8-72.4174000111.6I61 V64 Y65 F81 A114 L115 S116 L120 L121 G122 D123 L125 V128I61-L118 HydrophobicContact CB-CD2 4.38Å; I61-L118 HydrophobicContact CG1-CD2 4.24Å; I61-L118 HydrophobicContact CG2-CD2 4.03Å; V64-L118 HydrophobicContact CB-CD2 4.01Å; V64-L118 HydrophobicContact CB-CG 4.31Å; V64-L118 HydrophobicContact CG1-CD1 4.05Å; V64-L118 HydrophobicContact CG1-CD2 3.97Å; V64-L118 HydrophobicContact CG1-CG 3.74Å; Y65-L118 HydrophobicContact CD2-CD1 4.45Å; Y65-L118 HydrophobicContact CD2-CD2 3.68Å; Y65-L118 HydrophobicContact CE1-CD1 3.96Å; Y65-L118 HydrophobicContact CE2-CD1 3.95Å; Y65-L118 HydrophobicContact CE2-CD2 3.42Å; Y65-L118 VanDerWaalsContact CE2-CD2 3.42Å; Y65-L118 HydrophobicContact CE2-CG 4.33Å; F81-L118 HydrophobicContact CZ-CD1 4.35Å; A114-L118 WeakPolarHBondContact O-CG 3.28Å; A114-L118 PolarHBondContact O-N 3.26Å; L115-L118 PolarHBondContact O-N 3.08Å; S116-L118 PolarHBondContact O-N 3.39Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 3.26Å; L118-L121 PolarHBondContact O-N 3.31Å; L118-G122 PolarHBondContact O-N 2.67Å; L118-D123 HydrophobicContact CB-CB 4.05Å; L118-D123 HydrophobicContact CD2-CB 4.16Å; L118-D123 WeakPolarHBondContact O-CB 3.32Å; L118-D123 PolarHBondContact O-N 2.73Å; L118-L125 HydrophobicContact CB-CD2 3.57Å; L118-L125 HydrophobicContact CD1-CD2 3.93Å; L118-L125 HydrophobicContact CG-CD2 4.42Å; L118-V128 HydrophobicContact CD1-CG2 4.06Å
119L98.3Very high97.9Very high0 Ų020.2 Ų20.20%012%0.117CC..Hα-helixtrans-59.1-43.6178177.766.8000112.2L115 S116 T117 G122 I367 R374 L375 I378L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 PolarHBondContact O-N 3.17Å; S116-L119 PolarHBondContact O-N 2.66Å; T117-L119 PolarHBondContact O-N 3.01Å; L119-G122 PolarHBondContact O-N 3.28Å; L119-I367 HydrophobicContact CD2-CD1 3.61Å; L119-R374 PolarHBondContact O-NH1 3.39Å; L119-L375 HydrophobicContact CD1-CB 4Å; L119-L375 HydrophobicContact CD1-CD1 4.37Å; L119-L375 HydrophobicContact CD2-CB 3.9Å; L119-L375 HydrophobicContact CD2-CD1 4.39Å; L119-L375 HydrophobicContact CD2-CD2 4.26Å; L119-L375 HydrophobicContact CD2-CG 4.42Å; L119-I378 HydrophobicContact CD1-CD1 3.93Å
120L98.3Very high97.9Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-64.9-38178.7-66.9168.9000112.1S44 A47 L52 S116 T117 L118 G122 I367 Y371S44-L120 WeakPolarHBondContact OG-CD1 3.31Å; A47-L120 HydrophobicContact CB-CD2 3.84Å; L52-L120 HydrophobicContact CD1-CB 4.27Å; L52-L120 WeakPolarHBondContact CD1-O 3.31Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.34Å; T117-L120 PolarHBondContact O-N 3.05Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 3.26Å; L120-G122 PolarHBondContact O-N 3.25Å; L120-I367 HydrophobicContact CD1-CG2 4.42Å; L120-I367 HydrophobicContact CD2-CB 4.14Å; L120-I367 HydrophobicContact CD2-CG2 4.14Å; L120-I367 HydrophobicContact CG-CG2 4.44Å; L120-Y371 HydrophobicContact CD2-CD1 4.21Å; L120-Y371 HydrophobicContact CD2-CD2 3.59Å; L120-Y371 HydrophobicContact CD2-CE2 4.08Å; L120-Y371 HydrophobicContact CD2-CG 3.67Å; L120-Y371 WeakPolarHBondContact O-CE1 3.26Å
121L98.1Very high97.8Very high5 Ų527.6 Ų27.63%0.02614%0.14CC..Hα-helixtrans-76.5-8-178.3-66.9167.8000113.9L52 R57 I60 I61 T117 L118L52-L121 HydrophobicContact CD2-CD2 3.96Å; R57-L121 HydrophobicContact CB-CB 4.48Å; R57-L121 HydrophobicContact CB-CD2 4.14Å; R57-L121 WeakPolarHBondContact CD-O 3.41Å; R57-L121 HydrophobicContact CG-CD2 4.02Å; I60-L121 HydrophobicContact CB-CD1 3.78Å; I60-L121 HydrophobicContact CD1-CD2 4.44Å; I60-L121 HydrophobicContact CG2-CD1 3.37Å; I61-L121 HydrophobicContact CD1-CB 3.94Å; I61-L121 HydrophobicContact CG1-CB 3.81Å; I61-L121 HydrophobicContact CG1-CD1 3.91Å; T117-L121 HydrophobicContact CG2-CD1 3.7Å; T117-L121 HydrophobicContact CG2-CG 4.41Å; T117-L121 VanDerWaalsContact O-CG 3.26Å; T117-L121 WeakPolarHBondContact O-CG 3.36Å; T117-L121 PolarHBondContact O-N 2.85Å; L118-L121 PolarHBondContact O-N 3.31Å
122G96.8Very high97.6Very high39 Ų3927.6 Ų27.640%0.40214%0.14SC..THydrogen-bonded Turntrans96.49.8179.900000114.1L118 L119 L120 R374L118-G122 PolarHBondContact O-N 2.67Å; L119-G122 PolarHBondContact O-N 3.28Å; L120-G122 PolarHBondContact O-N 3.25Å; G122-R374 VanDerWaalsContact C-CZ 3.43Å; G122-R374 VanDerWaalsContact C-NH1 3.33Å; G122-R374 VanDerWaalsContact CA-NH1 3.33Å; G122-R374 PolarHBondContact O-NH2 3.1Å
123D98Very high97.6Very high20 Ų2027 Ų2711%0.10714%0.138CC..  trans-72.4147.5172.5-175.1-105.8000111I61 Y65 L118 L125 R374I61-D123 HydrophobicContact CD1-CB 4.05Å; I61-D123 HydrophobicContact CG1-CB 4.29Å; Y65-D123 PolarHBondContact OH-OD1 2.71Å; L118-D123 HydrophobicContact CB-CB 4.05Å; L118-D123 HydrophobicContact CD2-CB 4.16Å; L118-D123 WeakPolarHBondContact O-CB 3.32Å; L118-D123 PolarHBondContact O-N 2.73Å; D123-L125 VanDerWaalsContact OD1-CA 3.23Å; D123-L125 WeakPolarHBondContact OD1-CA 3.24Å; D123-L125 PolarHBondContact OD1-N 3.11Å; D123-R374 PolarHBondContact O-NH1 3.16Å; D123-R374 PolarHBondContact O-NH2 2.86Å
124N96.4Very high97.5Very high69 Ų6927.5 Ų27.537%0.36914%0.14SC..  trans-968.2-17766.76.8000113.3S126N124-S126 PolarHBondContact O-N 3.42Å; N124-S126 VanDerWaalsContact O-N 3.16Å; N124-S126 WeakPolarHBondContact OD1-CB 3.47Å; N124-S126 PolarHBondContact OD1-N 3.27Å; N124-S126 PolarHBondContact OD1-OG 3.31Å
125L97.9Very high97.4Very high4 Ų429 Ų292%0.02115%0.152CC..SBendtrans61.613.7-178-52.2175.8000114.2L115 L118 D123 R127 V128 I172 W382L115-L125 HydrophobicContact CD2-CD2 4.32Å; L118-L125 HydrophobicContact CB-CD2 3.57Å; L118-L125 HydrophobicContact CD1-CD2 3.93Å; L118-L125 HydrophobicContact CG-CD2 4.42Å; D123-L125 VanDerWaalsContact OD1-CA 3.23Å; D123-L125 WeakPolarHBondContact OD1-CA 3.24Å; D123-L125 PolarHBondContact OD1-N 3.11Å; L125-R127 VanDerWaalsContact C-N 3.26Å; L125-R127 PolarHBondContact O-N 3.29Å; L125-V128 HydrophobicContact CB-CG2 4.07Å; L125-V128 HydrophobicContact CD2-CG2 4.12Å; L125-V128 WeakPolarHBondContact O-CB 3.36Å; L125-V128 PolarHBondContact O-N 2.96Å; L125-V128 VanDerWaalsContact O-N 3.13Å; L125-I172 HydrophobicContact CD1-CG2 3.78Å; L125-W382 HydrophobicContact CB-CH2 4.34Å; L125-W382 HydrophobicContact CB-CZ2 3.99Å; L125-W382 HydrophobicContact CD1-CH2 4.23Å
126S96.1Very high97.3Very high80 Ų8029 Ų2956%0.55915%0.152SC*.THydrogen-bonded Turntrans-71.5-18.7-174.471.50000114.1N124N124-S126 PolarHBondContact O-N 3.42Å; N124-S126 VanDerWaalsContact O-N 3.16Å; N124-S126 WeakPolarHBondContact OD1-CB 3.47Å; N124-S126 PolarHBondContact OD1-N 3.27Å; N124-S126 PolarHBondContact OD1-OG 3.31Å
127R96.8Very high97.2Very high102 Ų10229 Ų2939%0.38515%0.152SC..THydrogen-bonded Turntrans-94.4-0.2175.5-41-174.1-49.4-167.722.6112.4E62 Y65 Q68 L125 D129E62-R127 VanDerWaalsContact CD-NH2 3.31Å; E62-R127 IonicContact OE1-CZ 3.45Å; E62-R127 IonicContact OE1-NH1 3.27Å; E62-R127 PolarHBondContact OE1-NH1 2.92Å; E62-R127 IonicContact OE1-NH2 3.98Å; E62-R127 PolarHBondContact OE1-NH2 3.25Å; E62-R127 IonicContact OE2-CZ 3.61Å; E62-R127 IonicContact OE2-NH1 2.68Å; E62-R127 PolarHBondContact OE2-NH1 3.08Å; E62-R127 IonicContact OE2-NH2 3.75Å; E62-R127 PolarHBondContact OE2-NH2 3.49Å; Y65-R127 HydrophobicContact CD1-CB 4.19Å; Y65-R127 HydrophobicContact CE1-CB 3.58Å; Y65-R127 HydrophobicContact CE2-CB 4.38Å; Y65-R127 VanDerWaalsContact CE2-NE 3.31Å; Q68-R127 PolarHBondContact NE2-O 2.99Å; L125-R127 VanDerWaalsContact C-N 3.26Å; L125-R127 PolarHBondContact O-N 3.29Å; R127-D129 PolarHBondContact O-N 2.84Å
128V97.7Very high97.1Very high12 Ų1231.3 Ų31.37%0.07317%0.168CC..SBendtrans-72.1127.7172.9179.20000108Y65 F81 L115 L118 L125 R130 L173Y65-V128 HydrophobicContact CE1-CG2 3.83Å; F81-V128 HydrophobicContact CE2-CG1 4.47Å; F81-V128 HydrophobicContact CZ-CG2 4.49Å; L115-V128 HydrophobicContact CD2-CG1 4.06Å; L115-V128 HydrophobicContact CD2-CG2 4.01Å; L118-V128 HydrophobicContact CD1-CG2 4.06Å; L125-V128 HydrophobicContact CB-CG2 4.07Å; L125-V128 HydrophobicContact CD2-CG2 4.12Å; L125-V128 WeakPolarHBondContact O-CB 3.36Å; L125-V128 PolarHBondContact O-N 2.96Å; L125-V128 VanDerWaalsContact O-N 3.13Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-L173 HydrophobicContact CG1-CD2 4.13Å
129D96.6Very high97Very high34 Ų3433.2 Ų33.218%0.18218%0.184CC..  trans-69.878.8165.7178.210.3000108.3L70 S71 R127 R131 G132 T133L70-D129 HydrophobicContact CD2-CB 3.83Å; S71-D129 PolarHBondContact N-OD2 3.34Å; R127-D129 PolarHBondContact O-N 2.84Å; D129-R131 VanDerWaalsContact C-N 3.27Å; D129-R131 PolarHBondContact O-N 2.84Å; D129-G132 PolarHBondContact O-N 3.33Å; D129-G132 PolarHBondContact OD1-N 2.91Å; D129-G132 WeakPolarHBondContact OD2-CA 3.3Å; D129-T133 VanDerWaalsContact O-CB 3.27Å; D129-T133 WeakPolarHBondContact O-CB 3.31Å; D129-T133 PolarHBondContact O-N 2.93Å; D129-T133 PolarHBondContact O-OG1 3.33Å
130R96.6Very high96.9Very high94 Ų9433.4 Ų33.436%0.35519%0.185SC..Hα-helixtrans-57.5-43-175.3178.4177.2170.1-1191.1110.7V128 L134 L173 D174V128-R130 PolarHBondContact O-N 2.84Å; R130-L134 HydrophobicContact CG-CD1 3.91Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 WeakPolarHBondContact O-CG 3.49Å; R130-L134 PolarHBondContact O-N 3.35Å; R130-L173 HydrophobicContact CG-CB 4.35Å; R130-L173 HydrophobicContact CG-CD2 4.4Å; R130-L173 PolarHBondContact NE-O 2.84Å; R130-L173 PolarHBondContact NH2-O 2.94Å; R130-D174 PolarHBondContact NH2-O 3.2Å
131R95.6Very high96.8Very high105 Ų10535 Ų3540%0.39619%0.193SC..Hα-helixtrans-65.8-49.9-179.5-173.9-17366.576.6-0.9111D73 F74 D129 L134 A135D73-R131 PolarHBondContact O-NH2 3.33Å; D73-R131 VanDerWaalsContact O-NH2 3.14Å; F74-R131 VanDerWaalsContact CD1-CZ 3.48Å; D129-R131 VanDerWaalsContact C-N 3.27Å; D129-R131 PolarHBondContact O-N 2.84Å; R131-L134 PolarHBondContact O-N 2.97Å; R131-A135 WeakPolarHBondContact O-CB 3.22Å; R131-A135 PolarHBondContact O-N 3.31Å
132G96.2Very high96.7Very high0 Ų035.6 Ų35.60%020%0.197CC..Hα-helixtrans-64.2-41.6179.300000112.7S71 D129 A135 G136S71-G132 WeakPolarHBondContact OG-CA 3.45Å; D129-G132 PolarHBondContact O-N 3.33Å; D129-G132 PolarHBondContact OD1-N 2.91Å; D129-G132 WeakPolarHBondContact OD2-CA 3.3Å; G132-A135 PolarHBondContact O-N 3.07Å; G132-G136 PolarHBondContact O-N 3.15Å
133T97.6Very high96.6Very high0 Ų039.4 Ų39.40%022%0.217CC..Hα-helixtrans-62.7-46.8177-57.60000111.6V111 D129 A135 G136 L137 L173V111-T133 HydrophobicContact CG1-CG2 3.64Å; D129-T133 VanDerWaalsContact O-CB 3.27Å; D129-T133 WeakPolarHBondContact O-CB 3.31Å; D129-T133 PolarHBondContact O-N 2.93Å; D129-T133 PolarHBondContact O-OG1 3.33Å; T133-A135 PolarHBondContact O-N 2.88Å; T133-G136 PolarHBondContact O-N 3.47Å; T133-L137 HydrophobicContact CG2-CD1 4.19Å; T133-L137 WeakPolarHBondContact O-CG 3.5Å; T133-L137 PolarHBondContact O-N 2.88Å; T133-L173 HydrophobicContact CG2-CD1 3.61Å
134L97.6Very high96.5Very high14 Ų1443.2 Ų43.27%0.07324%0.238CC..Hα-helixtrans-63.9-39.5176.9-72.3171000112R130 R131 G136 L137 S138 C170 L173R130-L134 HydrophobicContact CG-CD1 3.91Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 WeakPolarHBondContact O-CG 3.49Å; R130-L134 PolarHBondContact O-N 3.35Å; R131-L134 PolarHBondContact O-N 2.97Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 2.95Å; L134-L137 PolarHBondContact O-N 3.26Å; L134-S138 VanDerWaalsContact O-CB 3.31Å; L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.34Å; L134-C170 HydrophobicContact CD2-CB 4.38Å; L134-L173 HydrophobicContact CD2-CB 4.01Å; L134-L173 HydrophobicContact CD2-CD1 4.16Å; L134-L173 HydrophobicContact CG-CB 4.35Å; L134-L173 HydrophobicContact CG-CD1 4.18Å
135A96.5Very high96.5Very high30 Ų3042.6 Ų42.625%0.24823%0.233CC..Hα-helixtrans-62.9-40.2174.400000112.1R131 G132 T133 A139R131-A135 WeakPolarHBondContact O-CB 3.22Å; R131-A135 PolarHBondContact O-N 3.31Å; G132-A135 PolarHBondContact O-N 3.07Å; T133-A135 PolarHBondContact O-N 2.88Å; A135-A139 WeakPolarHBondContact O-CB 3.32Å; A135-A139 PolarHBondContact O-N 3.31Å
136G96.1Very high96.5Very high0 Ų045 Ų450%025%0.249CC..Hα-helixtrans-65.5-44.9175.300000113.2K77 G132 T133 L134 A139 M140K77-G136 VanDerWaalsContact O-CA 3.25Å; K77-G136 WeakPolarHBondContact O-CA 3.32Å; G132-G136 PolarHBondContact O-N 3.15Å; T133-G136 PolarHBondContact O-N 3.47Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 2.95Å; G136-A139 PolarHBondContact O-N 3.37Å; G136-M140 WeakPolarHBondContact O-CG 3.32Å; G136-M140 PolarHBondContact O-N 3.49Å
137L97.2Very high96.5Very high1 Ų141.2 Ų41.21%0.00522%0.222CC..Hα-helixtrans-61.4-44.5174.6-69.3171.4000111.8V108 V111 T133 L134 A139 M140 F149V108-L137 HydrophobicContact CB-CD2 4.43Å; V108-L137 HydrophobicContact CG1-CD2 4.02Å; V111-L137 HydrophobicContact CB-CD2 4.41Å; V111-L137 HydrophobicContact CG1-CD1 4.28Å; V111-L137 HydrophobicContact CG1-CD2 4.33Å; V111-L137 HydrophobicContact CG2-CD2 4.4Å; T133-L137 HydrophobicContact CG2-CD1 4.19Å; T133-L137 WeakPolarHBondContact O-CG 3.5Å; T133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.26Å; L137-A139 VanDerWaalsContact C-N 3.29Å; L137-A139 PolarHBondContact O-N 3.45Å; L137-M140 WeakPolarHBondContact O-CB 3.5Å; L137-M140 PolarHBondContact O-N 2.91Å; L137-F149 WeakPolarHBondContact O-CE1 3.31Å
138S96.6Very high96.6Very high48 Ų4836.5 Ų36.534%0.33620%0.204SC..Hα-helixtrans-59-40.4176.4-169.80000111.9L134 M140 Q141 S178L134-S138 VanDerWaalsContact O-CB 3.31Å; L134-S138 WeakPolarHBondContact O-CB 3.32Å; L134-S138 PolarHBondContact O-N 3.34Å; S138-M140 PolarHBondContact O-N 2.87Å; S138-Q141 WeakPolarHBondContact O-CB 3.35Å; S138-Q141 PolarHBondContact O-N 3.1Å; S138-Q141 VanDerWaalsContact O-N 3.1Å; S138-S178 VanDerWaalsContact CB-O 3.23Å; S138-S178 WeakPolarHBondContact CB-O 3.22Å; S138-S178 PolarHBondContact OG-O 3.4Å
139A95.3Very high96.6Very high40 Ų4035.9 Ų35.933%0.33120%0.201SC..Hα-helixtrans-68.2-17.5176.800000114.3K77 A135 G136 L137K77-A139 HydrophobicContact CB-CB 3.71Å; K77-A139 HydrophobicContact CD-CB 3.85Å; K77-A139 HydrophobicContact CG-CB 4.22Å; A135-A139 WeakPolarHBondContact O-CB 3.32Å; A135-A139 PolarHBondContact O-N 3.31Å; G136-A139 PolarHBondContact O-N 3.37Å; L137-A139 VanDerWaalsContact C-N 3.29Å; L137-A139 PolarHBondContact O-N 3.45Å
140M96.2Very high96.7Very high4 Ų436.6 Ų36.62%0.0220%0.202CC..THydrogen-bonded Turntrans-85.6-9174.5-64.8173.5-16600112.6S106 V108 G136 L137 S138 C142 F149 K150S106-M140 VanDerWaalsContact O-CE 3.31Å; S106-M140 WeakPolarHBondContact O-CE 3.48Å; V108-M140 HydrophobicContact CB-SD 4.45Å; V108-M140 HydrophobicContact CG1-CB 4.22Å; V108-M140 HydrophobicContact CG1-CG 4.38Å; V108-M140 HydrophobicContact CG1-SD 3.22Å; V108-M140 WeakPolarHBondContact CG1-SD 3.38Å; G136-M140 WeakPolarHBondContact O-CG 3.32Å; G136-M140 PolarHBondContact O-N 3.49Å; L137-M140 WeakPolarHBondContact O-CB 3.5Å; L137-M140 PolarHBondContact O-N 2.91Å; S138-M140 PolarHBondContact O-N 2.87Å; M140-C142 PolarHBondContact O-N 3.18Å; M140-F149 HydrophobicContact CB-CD1 4.2Å; M140-F149 VanDerWaalsContact O-CA 3.32Å; M140-F149 WeakPolarHBondContact O-CA 3.23Å; M140-K150 HydrophobicContact CB-CG 4.03Å; M140-K150 HydrophobicContact CG-CG 4.31Å; M140-K150 WeakPolarHBondContact O-CG 3.28Å; M140-K150 PolarHBondContact O-N 2.94Å
141Q97Very high96.7Very high35 Ų3532.1 Ų32.116%0.16419%0.185CC..BIsolated β-bridgetrans-70121.9171-162.1169.825.800109.5S138 S143 F149 N180S138-Q141 WeakPolarHBondContact O-CB 3.35Å; S138-Q141 PolarHBondContact O-N 3.1Å; S138-Q141 VanDerWaalsContact O-N 3.1Å; Q141-S143 PolarHBondContact O-N 2.82Å; Q141-F149 HydrophobicContact CB-CD1 4.11Å; Q141-F149 HydrophobicContact CB-CE1 3.61Å; Q141-F149 HydrophobicContact CB-CE2 4.42Å; Q141-F149 HydrophobicContact CB-CZ 3.8Å; Q141-F149 HydrophobicContact CG-CE1 4.08Å; Q141-F149 HydrophobicContact CG-CE2 3.98Å; Q141-F149 HydrophobicContact CG-CZ 3.73Å; Q141-N180 PolarHBondContact NE2-O 3.39Å
142C96.5Very high96.6Very high16 Ų1627.2 Ų27.211%0.10817%0.167CC..  trans-68.2131.7-173.9-64.90000111.4M140 L148M140-C142 PolarHBondContact O-N 3.18Å; C142-L148 HydrophobicContact CB-CB 4.34Å; C142-L148 PolarHBondContact N-O 3.48Å
143S94.3Very high95.9Very high119 Ų11931.3 Ų31.383%0.83219%0.189SC*.SBendtrans-79.6-25.9175.157.80000113.2Q141Q141-S143 PolarHBondContact O-N 2.82Å
144D95.8Very high95.2Very high101 Ų10135.5 Ų35.554%0.5421%0.211SC..SBendtrans-87.7-26.9-177.465.7-47.3000113.6R158D144-R158 IonicContact OD1-NH1 3.28Å; D144-R158 PolarHBondContact OD1-NH1 3.48Å; D144-R158 IonicContact OD2-CZ 2.67Å; D144-R158 VanDerWaalsContact OD2-CZ 3.24Å; D144-R158 IonicContact OD2-NH1 2.73Å; D144-R158 PolarHBondContact OD2-NH1 3.35Å; D144-R158 IonicContact OD2-NH2 3.68Å; D144-R158 PolarHBondContact OD2-NH2 3.22Å
145E97.1Very high94.7Very high55 Ų5537.8 Ų37.826%0.25723%0.228SC..SBendtrans-128.191.4166.7-174.165.6-134.500108.5G147 L148 F187 K190E145-G147 PolarHBondContact O-N 3.35Å; E145-L148 HydrophobicContact CB-CB 4.2Å; E145-L148 HydrophobicContact CB-CD2 4.17Å; E145-L148 HydrophobicContact CG-CB 4.09Å; E145-L148 HydrophobicContact CG-CD2 4.22Å; E145-L148 WeakPolarHBondContact O-CB 3.32Å; E145-L148 PolarHBondContact O-N 3.37Å; E145-F187 HydrophobicContact CG-CD2 3.77Å; E145-F187 HydrophobicContact CG-CE2 3.87Å; E145-K190 IonicContact OE1-NZ 3.6Å; E145-K190 PolarHBondContact OE1-NZ 2.9Å
146P96.9Very high94.3Very high55 Ų5539.2 Ų39.236%0.35725%0.245SC..THydrogen-bonded Turntrans-56132.1-176.8-25.834.1000112N183P146-N183 HydrophobicContact CB-CB 3.97Å; P146-N183 WeakPolarHBondContact CB-ND2 3.5Å
147G97.4Very high94.2Very high0 Ų044.2 Ų44.20%027%0.269CS..THydrogen-bonded Turntrans96.3-22.5-179.800000114.7E145 N183E145-G147 PolarHBondContact O-N 3.35Å; G147-N183 VanDerWaalsContact CA-C 3.44Å; G147-N183 WeakPolarHBondContact CA-O 3.24Å
148L98.3Very high94.2Very high3 Ų348.7 Ų48.72%0.01629%0.285CS..  trans-76.8152.1171.1-179.455.9000110.6C142 E145 R158 V163 F187 L201C142-L148 HydrophobicContact CB-CB 4.34Å; C142-L148 PolarHBondContact N-O 3.48Å; E145-L148 HydrophobicContact CB-CB 4.2Å; E145-L148 HydrophobicContact CB-CD2 4.17Å; E145-L148 HydrophobicContact CG-CB 4.09Å; E145-L148 HydrophobicContact CG-CD2 4.22Å; E145-L148 WeakPolarHBondContact O-CB 3.32Å; E145-L148 PolarHBondContact O-N 3.37Å; L148-R158 HydrophobicContact CD1-CB 4.2Å; L148-R158 HydrophobicContact CD2-CB 3.97Å; L148-R158 HydrophobicContact CD2-CG 3.81Å; L148-R158 HydrophobicContact CG-CB 4.02Å; L148-R158 HydrophobicContact CG-CG 4.43Å; L148-V163 HydrophobicContact CD1-CG2 4.18Å; L148-F187 HydrophobicContact CB-CD1 4.44Å; L148-F187 HydrophobicContact CB-CD2 3.99Å; L148-F187 HydrophobicContact CB-CE1 4.31Å; L148-F187 HydrophobicContact CB-CE2 3.85Å; L148-F187 HydrophobicContact CB-CG 4.31Å; L148-F187 HydrophobicContact CB-CZ 4.04Å; L148-F187 HydrophobicContact CD1-CE1 3.81Å; L148-F187 HydrophobicContact CD1-CE2 4.19Å; L148-F187 HydrophobicContact CD1-CZ 3.57Å; L148-F187 HydrophobicContact CD2-CE2 4.15Å; L148-F187 HydrophobicContact CD2-CZ 4.26Å; L148-F187 HydrophobicContact CG-CE2 4.28Å; L148-F187 HydrophobicContact CG-CZ 4.15Å; L148-L201 HydrophobicContact CD1-CD2 4.08Å; L148-L201 HydrophobicContact CD2-CD2 3.78Å
149F98.3Very high94.3Very high0 Ų046.9 Ų46.90%027%0.272CS..BIsolated β-bridgetrans-121.4142.2174.5-74.9-101.1000111.1L137 M140 Q141 R158 F162 V163 A166 I179 V184L137-F149 WeakPolarHBondContact O-CE1 3.31Å; M140-F149 HydrophobicContact CB-CD1 4.2Å; M140-F149 VanDerWaalsContact O-CA 3.32Å; M140-F149 WeakPolarHBondContact O-CA 3.23Å; Q141-F149 HydrophobicContact CB-CD1 4.11Å; Q141-F149 HydrophobicContact CB-CE1 3.61Å; Q141-F149 HydrophobicContact CB-CE2 4.42Å; Q141-F149 HydrophobicContact CB-CZ 3.8Å; Q141-F149 HydrophobicContact CG-CE1 4.08Å; Q141-F149 HydrophobicContact CG-CE2 3.98Å; Q141-F149 HydrophobicContact CG-CZ 3.73Å; F149-R158 WeakPolarHBondContact O-CA 3.38Å; F149-R158 VanDerWaalsContact O-CB 3.31Å; F149-R158 WeakPolarHBondContact O-CB 3.28Å; F149-F162 HydrophobicContact CB-CB 4.03Å; F149-V163 HydrophobicContact CD2-CB 4.42Å; F149-V163 HydrophobicContact CD2-CG2 4.19Å; F149-A166 HydrophobicContact CB-CB 4.49Å; F149-A166 HydrophobicContact CD1-CB 3.42Å; F149-A166 VanDerWaalsContact CD1-CB 3.42Å; F149-A166 HydrophobicContact CD2-CB 4.14Å; F149-A166 HydrophobicContact CE1-CB 3.51Å; F149-A166 HydrophobicContact CE2-CB 4.21Å; F149-A166 HydrophobicContact CG-CB 3.76Å; F149-A166 HydrophobicContact CZ-CB 3.92Å; F149-I179 HydrophobicContact CE1-CG2 4.04Å; F149-I179 HydrophobicContact CZ-CB 4.11Å; F149-I179 HydrophobicContact CZ-CD1 4.16Å; F149-I179 HydrophobicContact CZ-CG2 3.78Å; F149-V184 HydrophobicContact CE2-CG2 3.79Å
150K97.4Very high94.5Very high48 Ų4845 Ų4521%0.20926%0.256CS..BIsolated β-bridgetrans-82.8156.6164.664.4-179.3-175169.40110.9M140 G152 D153 E157 R158M140-K150 HydrophobicContact CB-CG 4.03Å; M140-K150 HydrophobicContact CG-CG 4.31Å; M140-K150 WeakPolarHBondContact O-CG 3.28Å; M140-K150 PolarHBondContact O-N 2.94Å; K150-G152 VanDerWaalsContact C-N 3.35Å; K150-G152 VanDerWaalsContact CD-O 3.26Å; K150-G152 WeakPolarHBondContact CD-O 3.33Å; K150-G152 WeakPolarHBondContact CE-O 3.25Å; K150-G152 WeakPolarHBondContact CG-O 3.12Å; K150-G152 PolarHBondContact O-N 2.95Å; K150-D153 IonicContact NZ-OD1 3.79Å; K150-D153 PolarHBondContact NZ-OD1 2.92Å; K150-E157 CarbonylContact C-O 3.57Å; K150-E157 VanDerWaalsContact CA-O 3.26Å; K150-E157 WeakPolarHBondContact CA-O 3.11Å; K150-R158 HydrophobicContact CB-CB 4.5Å
151A96.7Very high94.6Very high0 Ų049.6 Ų49.60%027%0.273CS..SBendtrans-63.3-40.2-178.700000112.5H107 V108 C155 E157 F162H107-A151 CarbonylContact C-O 3.45Å; H107-A151 VanDerWaalsContact CA-O 3.24Å; H107-A151 WeakPolarHBondContact CA-O 3.33Å; V108-A151 PolarHBondContact N-O 3.31Å; A151-C155 HydrophobicContact CB-CB 3.9Å; A151-E157 HydrophobicContact CB-CB 4.37Å; A151-E157 PolarHBondContact N-O 3.44Å; A151-F162 HydrophobicContact CB-CD1 4.04Å; A151-F162 HydrophobicContact CB-CD2 4Å; A151-F162 HydrophobicContact CB-CE1 3.68Å; A151-F162 HydrophobicContact CB-CE2 3.65Å; A151-F162 HydrophobicContact CB-CG 4.2Å; A151-F162 HydrophobicContact CB-CZ 3.48Å; A151-F162 VanDerWaalsContact CB-CZ 3.48Å
152G93.5Very high94.7Very high2 Ų248.1 Ų48.12%0.02127%0.266CS..BIsolated β-bridgetrans-167.9-177.1179.100000111.1S106 K150 C155S106-G152 WeakPolarHBondContact O-CA 3.14Å; K150-G152 VanDerWaalsContact C-N 3.35Å; K150-G152 VanDerWaalsContact CD-O 3.26Å; K150-G152 WeakPolarHBondContact CD-O 3.33Å; K150-G152 WeakPolarHBondContact CE-O 3.25Å; K150-G152 WeakPolarHBondContact CG-O 3.12Å; K150-G152 PolarHBondContact O-N 2.95Å; G152-C155 PolarHBondContact N-O 2.85Å; G152-C155 VanDerWaalsContact O-O 3.06Å
153D81.4Confident94.8Very high86 Ų8647.4 Ų47.446%0.4626%0.261SS..SBendtrans-67.7-42.5-178.4-16835.3000112.5K150K150-D153 IonicContact NZ-OD1 3.79Å; K150-D153 PolarHBondContact NZ-OD1 2.92Å
154I83.7Confident95Very high88 Ų8842.2 Ų42.245%0.45122%0.224SC..SBendtrans-87.4-24.4-179.2-58.4155.5000111.1Y103Y103-I154 VanDerWaalsContact CA-CD1 3.45Å; Y103-I154 WeakPolarHBondContact O-CD1 3.25Å
155C85.5Confident95.1Very high63 Ų6337.7 Ų37.743%0.42620%0.2SC..  trans-97.596.1-178.7-61.90000110A151 G152 E157A151-C155 HydrophobicContact CB-CB 3.9Å; G152-C155 PolarHBondContact N-O 2.85Å; G152-C155 VanDerWaalsContact O-O 3.06Å; C155-E157 PolarHBondContact O-N 3.29Å
156G88.5Confident95.2Very high60 Ų6035 Ų3562%0.61919%0.188SC*.  trans-74.71.9-177.700000116
157E95.2Very high95.3Very high105 Ų10532.4 Ų32.449%0.49117%0.171SC..  trans-61.3139.3173.3-164.8-168-167.100109.6K150 A151 C155 R161 F162K150-E157 CarbonylContact C-O 3.57Å; K150-E157 VanDerWaalsContact CA-O 3.26Å; K150-E157 WeakPolarHBondContact CA-O 3.11Å; A151-E157 HydrophobicContact CB-CB 4.37Å; A151-E157 PolarHBondContact N-O 3.44Å; C155-E157 PolarHBondContact O-N 3.29Å; E157-R161 IonicContact OE1-CZ 2.71Å; E157-R161 IonicContact OE1-NH2 2.92Å; E157-R161 PolarHBondContact OE1-NH2 2.8Å; E157-R161 IonicContact OE2-NH2 3.25Å; E157-F162 HydrophobicContact CB-CE2 3.95Å; E157-F162 HydrophobicContact CB-CZ 4.39Å; E157-F162 HydrophobicContact CG-CE2 3.78Å; E157-F162 HydrophobicContact CG-CZ 4.25Å; E157-F162 WeakPolarHBondContact O-CE2 3.33Å; E157-F162 VanDerWaalsContact OE2-CZ 3.25Å; E157-F162 WeakPolarHBondContact OE2-CZ 3.42Å
158R97.3Very high95.4Very high95 Ų9532.4 Ų32.436%0.35817%0.171SC..BIsolated β-bridgetrans-146.1125.8-175.558-173.9-173.8-179.51.3110.5D144 L148 F149 K150D144-R158 IonicContact OD1-NH1 3.28Å; D144-R158 PolarHBondContact OD1-NH1 3.48Å; D144-R158 IonicContact OD2-CZ 2.67Å; D144-R158 VanDerWaalsContact OD2-CZ 3.24Å; D144-R158 IonicContact OD2-NH1 2.73Å; D144-R158 PolarHBondContact OD2-NH1 3.35Å; D144-R158 IonicContact OD2-NH2 3.68Å; D144-R158 PolarHBondContact OD2-NH2 3.22Å; L148-R158 HydrophobicContact CD1-CB 4.2Å; L148-R158 HydrophobicContact CD2-CB 3.97Å; L148-R158 HydrophobicContact CD2-CG 3.81Å; L148-R158 HydrophobicContact CG-CB 4.02Å; L148-R158 HydrophobicContact CG-CG 4.43Å; F149-R158 WeakPolarHBondContact O-CA 3.38Å; F149-R158 VanDerWaalsContact O-CB 3.31Å; F149-R158 WeakPolarHBondContact O-CB 3.28Å; K150-R158 HydrophobicContact CB-CB 4.5Å
159D98.2Very high95.4Very high10 Ų1032.3 Ų32.35%0.05317%0.17CC..SBendtrans-166.9-177.5174.165.834.6000112.2R161 F162 V163 N200D159-R161 PolarHBondContact O-N 3.33Å; D159-R161 VanDerWaalsContact O-N 3.16Å; D159-R161 WeakPolarHBondContact OD1-CA 3.36Å; D159-R161 WeakPolarHBondContact OD1-CB 3.38Å; D159-R161 WeakPolarHBondContact OD1-CG 3.45Å; D159-R161 IonicContact OD1-CZ 2.65Å; D159-R161 PolarHBondContact OD1-N 3.11Å; D159-R161 IonicContact OD1-NE 3.6Å; D159-R161 PolarHBondContact OD1-NE 2.84Å; D159-R161 VanDerWaalsContact OD1-NE 3.09Å; D159-R161 IonicContact OD1-NH2 3.8Å; D159-R161 IonicContact OD2-CZ 2.66Å; D159-R161 IonicContact OD2-NE 3.76Å; D159-R161 PolarHBondContact OD2-NE 2.68Å; D159-R161 IonicContact OD2-NH2 3.98Å; D159-R161 PolarHBondContact OD2-NH2 3.41Å; D159-F162 PolarHBondContact O-N 2.87Å; D159-F162 VanDerWaalsContact O-N 3.09Å; D159-V163 PolarHBondContact O-N 3.11Å; D159-N200 HydrophobicContact CB-CB 3.92Å
160M98.6Very high95.4Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-54.4-27.8179.5-163.558.970.100115F162 V163 F164 F187 I188 C191 N200 A210 C213 A214M160-F162 VanDerWaalsContact C-N 3.3Å; M160-F162 PolarHBondContact O-N 3.27Å; M160-V163 WeakPolarHBondContact O-CB 3.42Å; M160-V163 PolarHBondContact O-N 3.44Å; M160-V163 HydrophobicContact SD-CB 4.23Å; M160-V163 HydrophobicContact SD-CG1 4.44Å; M160-V163 HydrophobicContact SD-CG2 4.42Å; M160-F164 PolarHBondContact O-N 2.87Å; M160-F164 VanDerWaalsContact O-N 3.09Å; M160-F187 HydrophobicContact CE-CD1 4.33Å; M160-F187 HydrophobicContact CE-CE1 3.81Å; M160-I188 HydrophobicContact CE-CB 4.47Å; M160-I188 HydrophobicContact CE-CG1 4.02Å; M160-I188 HydrophobicContact SD-CD1 4.48Å; M160-I188 HydrophobicContact SD-CG1 3.82Å; M160-C191 HydrophobicContact CE-CB 3.51Å; M160-C191 VanDerWaalsContact CE-SG 3.55Å; M160-N200 PolarHBondContact N-O 2.8Å; M160-A210 HydrophobicContact CB-CB 4.28Å; M160-A210 HydrophobicContact CG-CB 4.39Å; M160-A210 WeakPolarHBondContact CG-O 3.42Å; M160-C213 HydrophobicContact CB-CB 4.45Å; M160-C213 HydrophobicContact CG-CB 3.66Å; M160-C213 WeakPolarHBondContact O-CB 3.28Å; M160-A214 HydrophobicContact CE-CB 4.3Å; M160-A214 HydrophobicContact CG-CB 4.31Å; M160-A214 HydrophobicContact SD-CB 3.98Å
161R98.6Very high95.5Very high101 Ų10132.2 Ų32.238%0.38117%0.169SC..Hα-helixtrans-66.9-36178.2-57.4172.9-69.6158.4-1.1111.3E157 D159 S165E157-R161 IonicContact OE1-CZ 2.71Å; E157-R161 IonicContact OE1-NH2 2.92Å; E157-R161 PolarHBondContact OE1-NH2 2.8Å; E157-R161 IonicContact OE2-NH2 3.25Å; D159-R161 PolarHBondContact O-N 3.33Å; D159-R161 VanDerWaalsContact O-N 3.16Å; D159-R161 WeakPolarHBondContact OD1-CA 3.36Å; D159-R161 WeakPolarHBondContact OD1-CB 3.38Å; D159-R161 WeakPolarHBondContact OD1-CG 3.45Å; D159-R161 IonicContact OD1-CZ 2.65Å; D159-R161 PolarHBondContact OD1-N 3.11Å; D159-R161 IonicContact OD1-NE 3.6Å; D159-R161 PolarHBondContact OD1-NE 2.84Å; D159-R161 VanDerWaalsContact OD1-NE 3.09Å; D159-R161 IonicContact OD1-NH2 3.8Å; D159-R161 IonicContact OD2-CZ 2.66Å; D159-R161 IonicContact OD2-NE 3.76Å; D159-R161 PolarHBondContact OD2-NE 2.68Å; D159-R161 IonicContact OD2-NH2 3.98Å; D159-R161 PolarHBondContact OD2-NH2 3.41Å; R161-S165 WeakPolarHBondContact O-CB 3.27Å; R161-S165 PolarHBondContact O-N 3.42Å; R161-S165 PolarHBondContact O-OG 2.84Å
162F98.6Very high95.6Very high4 Ų432.2 Ų32.22%0.01817%0.169CC..Hα-helixtrans-78-32.5179.2-55.7-41000111.9H107 V108 F149 A151 E157 D159 M160 S165 A166H107-F162 AromaticContact CE1-CE1 3.85Å; V108-F162 HydrophobicContact CG2-CB 3.72Å; V108-F162 HydrophobicContact CG2-CD1 3.45Å; V108-F162 VanDerWaalsContact CG2-CD1 3.45Å; V108-F162 HydrophobicContact CG2-CE1 4.46Å; V108-F162 HydrophobicContact CG2-CG 3.9Å; F149-F162 HydrophobicContact CB-CB 4.03Å; A151-F162 HydrophobicContact CB-CD1 4.04Å; A151-F162 HydrophobicContact CB-CD2 4Å; A151-F162 HydrophobicContact CB-CE1 3.68Å; A151-F162 HydrophobicContact CB-CE2 3.65Å; A151-F162 HydrophobicContact CB-CG 4.2Å; A151-F162 HydrophobicContact CB-CZ 3.48Å; A151-F162 VanDerWaalsContact CB-CZ 3.48Å; E157-F162 HydrophobicContact CB-CE2 3.95Å; E157-F162 HydrophobicContact CB-CZ 4.39Å; E157-F162 HydrophobicContact CG-CE2 3.78Å; E157-F162 HydrophobicContact CG-CZ 4.25Å; E157-F162 WeakPolarHBondContact O-CE2 3.33Å; E157-F162 VanDerWaalsContact OE2-CZ 3.25Å; E157-F162 WeakPolarHBondContact OE2-CZ 3.42Å; D159-F162 PolarHBondContact O-N 2.87Å; D159-F162 VanDerWaalsContact O-N 3.09Å; M160-F162 VanDerWaalsContact C-N 3.3Å; M160-F162 PolarHBondContact O-N 3.27Å; F162-S165 PolarHBondContact O-N 3.3Å; F162-A166 VanDerWaalsContact O-CB 3.3Å; F162-A166 WeakPolarHBondContact O-CB 3.36Å; F162-A166 PolarHBondContact O-N 3.3Å
163V98.8Very high95.8Very high0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-56.1-52.9167.9-179.70000109.7L148 F149 D159 M160 S165 A166 V167 V184 F187 I188L148-V163 HydrophobicContact CD1-CG2 4.18Å; F149-V163 HydrophobicContact CD2-CB 4.42Å; F149-V163 HydrophobicContact CD2-CG2 4.19Å; D159-V163 PolarHBondContact O-N 3.11Å; M160-V163 WeakPolarHBondContact O-CB 3.42Å; M160-V163 PolarHBondContact O-N 3.44Å; M160-V163 HydrophobicContact SD-CB 4.23Å; M160-V163 HydrophobicContact SD-CG1 4.44Å; M160-V163 HydrophobicContact SD-CG2 4.42Å; V163-S165 PolarHBondContact O-N 2.62Å; V163-A166 PolarHBondContact O-N 2.82Å; V163-V167 HydrophobicContact CG1-CG2 4.38Å; V163-V167 WeakPolarHBondContact O-CB 3.42Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.5Å; V163-V167 PolarHBondContact O-N 3.46Å; V163-V184 HydrophobicContact CG1-CG1 3.76Å; V163-F187 HydrophobicContact CG2-CD1 4.12Å; V163-F187 HydrophobicContact CG2-CE1 3.97Å; V163-I188 HydrophobicContact CG1-CD1 4.17Å; V163-I188 HydrophobicContact CG1-CG1 4.42Å
164F98.9Very high96.6Very high11 Ų1131.8 Ų31.85%0.04817%0.166CC..Hα-helixtrans-58.5-49.6177171-100.8000112.7Y112 M160 A166 V167 A168 Y212 C213 A216 S217 L220 E364Y112-F164 HydrophobicContact CE1-CE1 4.16Å; Y112-F164 HydrophobicContact CE2-CE1 4.21Å; Y112-F164 HydrophobicContact CE2-CZ 4.26Å; Y112-F164 AromaticContact CZ-CE1 3.95Å; M160-F164 PolarHBondContact O-N 2.87Å; M160-F164 VanDerWaalsContact O-N 3.09Å; F164-A166 VanDerWaalsContact C-N 3.29Å; F164-A166 PolarHBondContact O-N 2.9Å; F164-V167 PolarHBondContact O-N 3.32Å; F164-A168 HydrophobicContact CE1-CB 4.46Å; F164-A168 HydrophobicContact CE2-CB 4.19Å; F164-A168 HydrophobicContact CZ-CB 4.1Å; F164-A168 VanDerWaalsContact O-CB 3.23Å; F164-A168 WeakPolarHBondContact O-CB 3.32Å; F164-A168 PolarHBondContact O-N 3.39Å; F164-Y212 HydrophobicContact CD1-CE1 4.44Å; F164-Y212 HydrophobicContact CD2-CE1 4.2Å; F164-Y212 HydrophobicContact CE1-CE1 4.11Å; F164-Y212 AromaticContact CE2-CE1 3.85Å; F164-Y212 HydrophobicContact CE2-CE1 3.85Å; F164-Y212 HydrophobicContact CG-CE1 4.49Å; F164-Y212 AromaticContact CZ-CE1 3.81Å; F164-Y212 HydrophobicContact CZ-CE1 3.81Å; F164-Y212 WeakPolarHBondContact CZ-OH 3.33Å; F164-C213 HydrophobicContact CB-CB 3.63Å; F164-C213 HydrophobicContact CG-CB 4.32Å; F164-A216 HydrophobicContact CD2-CB 3.9Å; F164-A216 HydrophobicContact CE2-CB 3.72Å; F164-S217 VanDerWaalsContact CA-OG 3.25Å; F164-S217 WeakPolarHBondContact CA-OG 3.47Å; F164-L220 HydrophobicContact CE2-CD1 4.47Å; F164-E364 VanDerWaalsContact CE2-O 3.26Å; F164-E364 WeakPolarHBondContact CE2-O 3.49Å
165S98.8Very high97.3Very high5 Ų527.8 Ų27.84%0.03515%0.147CC..Hα-helixtrans-59.8-40.6-178.3-58.60000111.8T109 R161 F162 V163 S169T109-S165 PolarHBondContact OG1-OG 2.66Å; R161-S165 WeakPolarHBondContact O-CB 3.27Å; R161-S165 PolarHBondContact O-N 3.42Å; R161-S165 PolarHBondContact O-OG 2.84Å; F162-S165 PolarHBondContact O-N 3.3Å; V163-S165 PolarHBondContact O-N 2.62Å; S165-S169 VanDerWaalsContact O-CB 3.28Å; S165-S169 WeakPolarHBondContact O-CB 3.38Å; S165-S169 PolarHBondContact O-N 2.96Å; S165-S169 VanDerWaalsContact O-N 3.08Å; S165-S169 PolarHBondContact O-OG 3.39Å
166A98.7Very high97.9Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-68.9-49.1177.700000111.8V108 F149 F162 V163 F164 A168 S169 C170V108-A166 HydrophobicContact CG1-CB 4.39Å; F149-A166 HydrophobicContact CB-CB 4.49Å; F149-A166 HydrophobicContact CD1-CB 3.42Å; F149-A166 VanDerWaalsContact CD1-CB 3.42Å; F149-A166 HydrophobicContact CD2-CB 4.14Å; F149-A166 HydrophobicContact CE1-CB 3.51Å; F149-A166 HydrophobicContact CE2-CB 4.21Å; F149-A166 HydrophobicContact CG-CB 3.76Å; F149-A166 HydrophobicContact CZ-CB 3.92Å; F162-A166 VanDerWaalsContact O-CB 3.3Å; F162-A166 WeakPolarHBondContact O-CB 3.36Å; F162-A166 PolarHBondContact O-N 3.3Å; V163-A166 PolarHBondContact O-N 2.82Å; F164-A166 VanDerWaalsContact C-N 3.29Å; F164-A166 PolarHBondContact O-N 2.9Å; A166-A168 PolarHBondContact O-N 3.1Å; A166-S169 PolarHBondContact O-N 3.37Å; A166-C170 WeakPolarHBondContact O-CB 3.36Å; A166-C170 PolarHBondContact O-N 2.86Å; A166-C170 PolarHBondContact O-SG 3.27Å; A166-C170 VanDerWaalsContact O-SG 3.36Å
167V98.9Very high98.3Very high0 Ų031.6 Ų31.60%015%0.149CC..Hα-helixtrans-59.8-48.4178.6168.40000111.3V163 F164 S169 C170 Y171 L176 I179 V184 L220 I221V163-V167 HydrophobicContact CG1-CG2 4.38Å; V163-V167 WeakPolarHBondContact O-CB 3.42Å; V163-V167 VanDerWaalsContact O-CG2 3.31Å; V163-V167 WeakPolarHBondContact O-CG2 3.5Å; V163-V167 PolarHBondContact O-N 3.46Å; F164-V167 PolarHBondContact O-N 3.32Å; V167-S169 VanDerWaalsContact C-N 3.32Å; V167-S169 PolarHBondContact O-N 2.98Å; V167-C170 PolarHBondContact O-N 3.39Å; V167-Y171 WeakPolarHBondContact O-CB 3.43Å; V167-Y171 PolarHBondContact O-N 3.42Å; V167-L176 HydrophobicContact CG1-CD2 4.4Å; V167-I179 HydrophobicContact CG2-CD1 4.03Å; V167-V184 HydrophobicContact CG2-CG1 4.08Å; V167-L220 HydrophobicContact CG1-CB 3.79Å; V167-L220 HydrophobicContact CG1-CD1 4.1Å; V167-I221 HydrophobicContact CG1-CG2 3.52Å; V167-I221 HydrophobicContact CG2-CG2 4.24Å
168A98.9Very high98.4Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-61.8-40.3178.200000111.9Y112 F164 A166 Y171 I172 L220 L365Y112-A168 HydrophobicContact CD2-CB 3.67Å; Y112-A168 HydrophobicContact CE2-CB 3.96Å; F164-A168 HydrophobicContact CE1-CB 4.46Å; F164-A168 HydrophobicContact CE2-CB 4.19Å; F164-A168 HydrophobicContact CZ-CB 4.1Å; F164-A168 VanDerWaalsContact O-CB 3.23Å; F164-A168 WeakPolarHBondContact O-CB 3.32Å; F164-A168 PolarHBondContact O-N 3.39Å; A166-A168 PolarHBondContact O-N 3.1Å; A168-Y171 PolarHBondContact O-N 3.33Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.41Å; A168-I172 PolarHBondContact O-N 2.89Å; A168-L220 HydrophobicContact CB-CD1 4.11Å; A168-L365 HydrophobicContact CB-CD2 3.8Å
169S98.8Very high98.4Very high0 Ų024.6 Ų24.60%012%0.124CC..Hα-helixtrans-65.5-45.9176.2-59.60000112Y112 S165 A166 V167 Y171 I172 L173Y112-S169 VanDerWaalsContact CA-OG 3.28Å; Y112-S169 WeakPolarHBondContact CA-OG 3.43Å; Y112-S169 WeakPolarHBondContact CB-OG 3.26Å; Y112-S169 PolarHBondContact N-OG 3.02Å; Y112-S169 VanDerWaalsContact N-OG 3.17Å; S165-S169 VanDerWaalsContact O-CB 3.28Å; S165-S169 WeakPolarHBondContact O-CB 3.38Å; S165-S169 PolarHBondContact O-N 2.96Å; S165-S169 VanDerWaalsContact O-N 3.08Å; S165-S169 PolarHBondContact O-OG 3.39Å; A166-S169 PolarHBondContact O-N 3.37Å; V167-S169 VanDerWaalsContact C-N 3.32Å; V167-S169 PolarHBondContact O-N 2.98Å; S169-Y171 VanDerWaalsContact C-N 3.3Å; S169-Y171 PolarHBondContact O-N 2.73Å; S169-I172 PolarHBondContact O-N 3.45Å; S169-L173 WeakPolarHBondContact O-CB 3.26Å; S169-L173 WeakPolarHBondContact O-CG 3.33Å; S169-L173 PolarHBondContact O-N 3.06Å
170C98.7Very high98.4Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-61.8-38.5175.5-70.40000111.6L134 A166 V167 L173 D174 G175 L176 I179L134-C170 HydrophobicContact CD2-CB 4.38Å; A166-C170 WeakPolarHBondContact O-CB 3.36Å; A166-C170 PolarHBondContact O-N 2.86Å; A166-C170 PolarHBondContact O-SG 3.27Å; A166-C170 VanDerWaalsContact O-SG 3.36Å; V167-C170 PolarHBondContact O-N 3.39Å; C170-L173 CarbonylContact O-C 3.47Å; C170-L173 PolarHBondContact O-N 3.5Å; C170-D174 PolarHBondContact O-N 2.94Å; C170-D174 VanDerWaalsContact O-N 3.14Å; C170-G175 PolarHBondContact O-N 2.61Å; C170-L176 HydrophobicContact CB-CD2 3.85Å; C170-I179 HydrophobicContact CB-CD1 4.38Å
171Y98.7Very high98.4Very high47 Ų4728.7 Ų28.718%0.18415%0.148CC..Hα-helixtrans-63.7-47.7174-178.4-85.5000111.8V167 A168 S169 L173 D174 L176 L220 L365 H372 L375 H379V167-Y171 WeakPolarHBondContact O-CB 3.43Å; V167-Y171 PolarHBondContact O-N 3.42Å; A168-Y171 PolarHBondContact O-N 3.33Å; S169-Y171 VanDerWaalsContact C-N 3.3Å; S169-Y171 PolarHBondContact O-N 2.73Å; Y171-L173 PolarHBondContact O-N 3.5Å; Y171-D174 PolarHBondContact O-N 3.29Å; Y171-L176 HydrophobicContact CD2-CD1 4.13Å; Y171-L220 HydrophobicContact CD1-CD2 3.92Å; Y171-L220 HydrophobicContact CD2-CB 4.24Å; Y171-L220 HydrophobicContact CD2-CD2 3.75Å; Y171-L220 HydrophobicContact CE1-CD2 4.11Å; Y171-L220 HydrophobicContact CE2-CD2 3.94Å; Y171-L220 HydrophobicContact CG-CD2 3.74Å; Y171-L365 HydrophobicContact CD1-CD1 3.89Å; Y171-L365 HydrophobicContact CD1-CD2 4.19Å; Y171-L365 HydrophobicContact CD1-CG 4.46Å; Y171-L365 HydrophobicContact CE1-CD1 3.88Å; Y171-H372 AromaticContact CE1-NE2 3.77Å; Y171-H372 AromaticContact CZ-NE2 3.85Å; Y171-H372 PolarHBondContact OH-NE2 2.81Å; Y171-H372 VanDerWaalsContact OH-NE2 3.08Å; Y171-L375 HydrophobicContact CD1-CD2 4.3Å; Y171-L375 HydrophobicContact CE1-CD2 4.1Å; Y171-H379 PolarHBondContact O-CE1 3.33Å; Y171-H379 PolarHBondContact O-NE2 3.42Å
172I98.7Very high98.4Very high0 Ų028.6 Ų28.60%015%0.152CC..Hα-helixtrans-59.8-35.8177.3-68163.5000111.1Y112 L115 L125 A168 S169 D174 L365 L375 H379Y112-I172 HydrophobicContact CD2-CD1 4.38Å; L115-I172 HydrophobicContact CB-CD1 4.29Å; L115-I172 HydrophobicContact CB-CG2 3.99Å; L115-I172 HydrophobicContact CD1-CB 4.48Å; L115-I172 HydrophobicContact CD1-CG2 4.36Å; L125-I172 HydrophobicContact CD1-CG2 3.78Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.41Å; A168-I172 PolarHBondContact O-N 2.89Å; S169-I172 PolarHBondContact O-N 3.45Å; I172-D174 VanDerWaalsContact C-N 3.31Å; I172-D174 PolarHBondContact O-N 3.08Å; I172-L365 HydrophobicContact CD1-CD2 4.44Å; I172-L365 HydrophobicContact CG1-CD1 4.27Å; I172-L365 HydrophobicContact CG1-CD2 4.31Å; I172-L375 HydrophobicContact CB-CD2 4.43Å; I172-L375 HydrophobicContact CG1-CD2 4.04Å; I172-L375 HydrophobicContact CG2-CD1 3.99Å; I172-L375 WeakPolarHBondContact O-CD1 3.29Å; I172-H379 PolarHBondContact O-NE2 2.99Å
173L98.4Very high98.4Very high1 Ų130.8 Ų30.81%0.00516%0.164CC..THydrogen-bonded Turntrans-86.89.5177.7-65.7-179.7000114.3L115 V128 R130 T133 L134 S169 C170 Y171 G175 W382L115-L173 HydrophobicContact CD1-CD1 3.96Å; L115-L173 HydrophobicContact CD1-CD2 4.16Å; L115-L173 HydrophobicContact CD1-CG 3.79Å; L115-L173 HydrophobicContact CD2-CD2 3.86Å; L115-L173 HydrophobicContact CD2-CG 4.41Å; V128-L173 HydrophobicContact CG1-CD2 4.13Å; R130-L173 HydrophobicContact CG-CB 4.35Å; R130-L173 HydrophobicContact CG-CD2 4.4Å; R130-L173 PolarHBondContact NE-O 2.84Å; R130-L173 PolarHBondContact NH2-O 2.94Å; T133-L173 HydrophobicContact CG2-CD1 3.61Å; L134-L173 HydrophobicContact CD2-CB 4.01Å; L134-L173 HydrophobicContact CD2-CD1 4.16Å; L134-L173 HydrophobicContact CG-CB 4.35Å; L134-L173 HydrophobicContact CG-CD1 4.18Å; S169-L173 WeakPolarHBondContact O-CB 3.26Å; S169-L173 WeakPolarHBondContact O-CG 3.33Å; S169-L173 PolarHBondContact O-N 3.06Å; C170-L173 CarbonylContact O-C 3.47Å; C170-L173 PolarHBondContact O-N 3.5Å; Y171-L173 PolarHBondContact O-N 3.5Å; L173-G175 PolarHBondContact O-N 3.47Å; L173-W382 HydrophobicContact CD2-CH2 4.36Å
174D97.8Very high98.4Very high77 Ų7730.8 Ų30.841%0.41216%0.164SC..THydrogen-bonded Turntrans48.547-177.4-166.632.4000111.7R130 C170 Y171 I172 W382R130-D174 PolarHBondContact NH2-O 3.2Å; C170-D174 PolarHBondContact O-N 2.94Å; C170-D174 VanDerWaalsContact O-N 3.14Å; Y171-D174 PolarHBondContact O-N 3.29Å; I172-D174 VanDerWaalsContact C-N 3.31Å; I172-D174 PolarHBondContact O-N 3.08Å; D174-W382 HydrophobicContact CB-CE3 3.94Å; D174-W382 HydrophobicContact CB-CZ3 4.05Å
175G97.8Very high98.4Very high5 Ų530.4 Ų30.45%0.05216%0.163CC..  trans-140.427-166.400000113.4C170 L173 D177 S178C170-G175 PolarHBondContact O-N 2.61Å; L173-G175 PolarHBondContact O-N 3.47Å; G175-D177 PolarHBondContact O-N 3.03Å; G175-S178 WeakPolarHBondContact O-CB 3.5Å; G175-S178 PolarHBondContact O-N 3.34Å; G175-S178 PolarHBondContact O-OG 3.47Å
176L98.3Very high98.3Very high35 Ų3534.7 Ų34.718%0.18319%0.185CC..G310 helixtrans-55.2-30.6176.2-73.1177.4000112.8V167 C170 Y171 S178 I179 L220 I221V167-L176 HydrophobicContact CG1-CD2 4.4Å; C170-L176 HydrophobicContact CB-CD2 3.85Å; Y171-L176 HydrophobicContact CD2-CD1 4.13Å; L176-S178 PolarHBondContact O-N 2.99Å; L176-I179 HydrophobicContact CD2-CD1 4.46Å; L176-I179 WeakPolarHBondContact O-CG1 3.25Å; L176-I179 PolarHBondContact O-N 2.85Å; L176-I179 VanDerWaalsContact O-N 3.1Å; L176-L220 WeakPolarHBondContact CD1-O 3.17Å; L176-I221 HydrophobicContact CD1-CG2 4.49Å; L176-I221 HydrophobicContact CD2-CG2 3.99Å
177D97.4Very high98.4Very high168 Ų16834.7 Ų34.790%0.89819%0.185SC*.G310 helixtrans-62.4-11.8174.4-62-23.7000113.9G175 I179G175-D177 PolarHBondContact O-N 3.03Å; D177-I179 VanDerWaalsContact C-N 3.28Å
178S96.9Very high98.3Very high40 Ų4034.7 Ų34.728%0.2819%0.185SC..G310 helixtrans-78.9-10.8176.7-50.70000113.2S138 G175 L176S138-S178 VanDerWaalsContact CB-O 3.23Å; S138-S178 WeakPolarHBondContact CB-O 3.22Å; S138-S178 PolarHBondContact OG-O 3.4Å; G175-S178 WeakPolarHBondContact O-CB 3.5Å; G175-S178 PolarHBondContact O-N 3.34Å; G175-S178 PolarHBondContact O-OG 3.47Å; L176-S178 PolarHBondContact O-N 2.99Å
179I97.9Very high98.3Very high12 Ų1236.8 Ų36.86%0.06220%0.203CC..SBendtrans-125.9156.2179.458.9168.2000110.2F149 V167 C170 L176 D177 C181F149-I179 HydrophobicContact CE1-CG2 4.04Å; F149-I179 HydrophobicContact CZ-CB 4.11Å; F149-I179 HydrophobicContact CZ-CD1 4.16Å; F149-I179 HydrophobicContact CZ-CG2 3.78Å; V167-I179 HydrophobicContact CG2-CD1 4.03Å; C170-I179 HydrophobicContact CB-CD1 4.38Å; L176-I179 HydrophobicContact CD2-CD1 4.46Å; L176-I179 WeakPolarHBondContact O-CG1 3.25Å; L176-I179 PolarHBondContact O-N 2.85Å; L176-I179 VanDerWaalsContact O-N 3.1Å; D177-I179 VanDerWaalsContact C-N 3.28Å; I179-C181 PolarHBondContact O-N 3.2Å; I179-C181 VanDerWaalsContact O-N 3.15Å
180N98.2Very high98.3Very high71 Ų7142 Ų4238%0.3823%0.225SC..  trans-82.794.6175-171.4-38.9000110.5Q141 E182 N183 V184Q141-N180 PolarHBondContact NE2-O 3.39Å; N180-E182 PolarHBondContact O-N 3.03Å; N180-E182 PolarHBondContact OD1-N 3.37Å; N180-N183 HydrophobicContact CB-CB 4.12Å; N180-N183 VanDerWaalsContact CG-CG 3.41Å; N180-N183 VanDerWaalsContact CG-ND2 3.27Å; N180-N183 PolarHBondContact ND2-ND2 3.14Å; N180-N183 VanDerWaalsContact ND2-ND2 3.13Å; N180-N183 PolarHBondContact O-N 3.41Å; N180-N183 PolarHBondContact OD1-N 3.32Å; N180-V184 WeakPolarHBondContact O-CG2 3.19Å; N180-V184 PolarHBondContact O-N 3.18Å; N180-V184 VanDerWaalsContact O-N 3.15Å
181C98.4Very high98.3Very high26 Ų2642 Ų4218%0.17623%0.226CC..Hα-helixtrans-64.8-31.5-179.5-68.50000114.1I179 V184 A185 I221I179-C181 PolarHBondContact O-N 3.2Å; I179-C181 VanDerWaalsContact O-N 3.15Å; C181-V184 WeakPolarHBondContact O-CB 3.49Å; C181-V184 PolarHBondContact O-N 2.84Å; C181-A185 PolarHBondContact O-N 3.37Å; C181-I221 HydrophobicContact CB-CB 4.29Å; C181-I221 HydrophobicContact CB-CD1 4.44Å
182E98.4Very high98.3Very high98 Ų9842.2 Ų42.246%0.45823%0.228SC..Hα-helixtrans-65.1-46.9175.6-60.3-58.4156.200110.6N180 V184 A185 D186 K223N180-E182 PolarHBondContact O-N 3.03Å; N180-E182 PolarHBondContact OD1-N 3.37Å; E182-V184 VanDerWaalsContact C-N 3.25Å; E182-V184 PolarHBondContact O-N 2.73Å; E182-A185 WeakPolarHBondContact O-CB 3.48Å; E182-A185 PolarHBondContact O-N 3.09Å; E182-A185 VanDerWaalsContact O-N 3.1Å; E182-D186 PolarHBondContact O-N 3.47Å; E182-K223 WeakPolarHBondContact OE1-CE 3.28Å; E182-K223 IonicContact OE1-NZ 2.69Å; E182-K223 PolarHBondContact OE1-NZ 2.92Å; E182-K223 WeakPolarHBondContact OE2-CE 3.29Å; E182-K223 IonicContact OE2-NZ 3.22Å; E182-K223 PolarHBondContact OE2-NZ 3.22Å
183N98.5Very high98.3Very high51 Ų5143.3 Ų43.327%0.27324%0.235SC..Hα-helixtrans-60.5-38175.8-71.2-12.3000111.4P146 G147 N180 D186 F187P146-N183 HydrophobicContact CB-CB 3.97Å; P146-N183 WeakPolarHBondContact CB-ND2 3.5Å; G147-N183 VanDerWaalsContact CA-C 3.44Å; G147-N183 WeakPolarHBondContact CA-O 3.24Å; N180-N183 HydrophobicContact CB-CB 4.12Å; N180-N183 VanDerWaalsContact CG-CG 3.41Å; N180-N183 VanDerWaalsContact CG-ND2 3.27Å; N180-N183 PolarHBondContact ND2-ND2 3.14Å; N180-N183 VanDerWaalsContact ND2-ND2 3.13Å; N180-N183 PolarHBondContact O-N 3.41Å; N180-N183 PolarHBondContact OD1-N 3.32Å; N183-D186 PolarHBondContact O-N 3.26Å; N183-F187 WeakPolarHBondContact O-CB 3.49Å; N183-F187 PolarHBondContact O-N 3.33Å
184V98.8Very high98.2Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-60.6-48174.11720000110.8F149 V163 V167 N180 C181 E182 D186 F187 I188 I221F149-V184 HydrophobicContact CE2-CG2 3.79Å; V163-V184 HydrophobicContact CG1-CG1 3.76Å; V167-V184 HydrophobicContact CG2-CG1 4.08Å; N180-V184 WeakPolarHBondContact O-CG2 3.19Å; N180-V184 PolarHBondContact O-N 3.18Å; N180-V184 VanDerWaalsContact O-N 3.15Å; C181-V184 WeakPolarHBondContact O-CB 3.49Å; C181-V184 PolarHBondContact O-N 2.84Å; E182-V184 VanDerWaalsContact C-N 3.25Å; E182-V184 PolarHBondContact O-N 2.73Å; V184-D186 PolarHBondContact O-N 2.76Å; V184-F187 PolarHBondContact O-N 3.47Å; V184-I188 HydrophobicContact CG1-CD1 3.73Å; V184-I188 HydrophobicContact CG1-CG1 4.42Å; V184-I188 WeakPolarHBondContact O-CB 3.23Å; V184-I188 VanDerWaalsContact O-CG1 3.25Å; V184-I188 WeakPolarHBondContact O-CG1 3.01Å; V184-I188 PolarHBondContact O-N 3.46Å; V184-I221 HydrophobicContact CB-CD1 4.12Å; V184-I221 HydrophobicContact CG1-CD1 3.75Å
185A98.8Very high98.2Very high3 Ų351.3 Ų51.33%0.02526%0.262CS..Hα-helixtrans-61-44.417800000111.9C181 E182 I188 A189 L218 I221 K223 V227C181-A185 PolarHBondContact O-N 3.37Å; E182-A185 WeakPolarHBondContact O-CB 3.48Å; E182-A185 PolarHBondContact O-N 3.09Å; E182-A185 VanDerWaalsContact O-N 3.1Å; A185-I188 PolarHBondContact O-N 3.09Å; A185-A189 WeakPolarHBondContact O-CB 3.31Å; A185-A189 PolarHBondContact O-N 3.16Å; A185-L218 HydrophobicContact CB-CD2 4.14Å; A185-I221 HydrophobicContact CB-CD1 4.42Å; A185-K223 HydrophobicContact CB-CB 3.89Å; A185-K223 HydrophobicContact CB-CD 4.35Å; A185-K223 HydrophobicContact CB-CG 3.95Å; A185-V227 HydrophobicContact CB-CG2 3.92Å
186D98.5Very high98.2Very high94 Ų9451.2 Ų51.250%0.50326%0.261SS..Hα-helixtrans-62.7-44.7177-74.8-17000111.9E182 N183 V184 A189 K190E182-D186 PolarHBondContact O-N 3.47Å; N183-D186 PolarHBondContact O-N 3.26Å; V184-D186 PolarHBondContact O-N 2.76Å; D186-A189 WeakPolarHBondContact O-CB 3.5Å; D186-A189 PolarHBondContact O-N 3.22Å; D186-K190 WeakPolarHBondContact O-CG 3.47Å; D186-K190 PolarHBondContact O-N 2.8Å; D186-K190 VanDerWaalsContact O-N 3.12Å
187F98.7Very high98.2Very high0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-61.5-45.1176.1174.4-98.6000111.7E145 L148 M160 V163 N183 V184 A189 K190 C191 L201 P202E145-F187 HydrophobicContact CG-CD2 3.77Å; E145-F187 HydrophobicContact CG-CE2 3.87Å; L148-F187 HydrophobicContact CB-CD1 4.44Å; L148-F187 HydrophobicContact CB-CD2 3.99Å; L148-F187 HydrophobicContact CB-CE1 4.31Å; L148-F187 HydrophobicContact CB-CE2 3.85Å; L148-F187 HydrophobicContact CB-CG 4.31Å; L148-F187 HydrophobicContact CB-CZ 4.04Å; L148-F187 HydrophobicContact CD1-CE1 3.81Å; L148-F187 HydrophobicContact CD1-CE2 4.19Å; L148-F187 HydrophobicContact CD1-CZ 3.57Å; L148-F187 HydrophobicContact CD2-CE2 4.15Å; L148-F187 HydrophobicContact CD2-CZ 4.26Å; L148-F187 HydrophobicContact CG-CE2 4.28Å; L148-F187 HydrophobicContact CG-CZ 4.15Å; M160-F187 HydrophobicContact CE-CD1 4.33Å; M160-F187 HydrophobicContact CE-CE1 3.81Å; V163-F187 HydrophobicContact CG2-CD1 4.12Å; V163-F187 HydrophobicContact CG2-CE1 3.97Å; N183-F187 WeakPolarHBondContact O-CB 3.49Å; N183-F187 PolarHBondContact O-N 3.33Å; V184-F187 PolarHBondContact O-N 3.47Å; F187-A189 VanDerWaalsContact C-N 3.33Å; F187-A189 PolarHBondContact O-N 3.12Å; F187-K190 WeakPolarHBondContact O-CB 3.25Å; F187-K190 PolarHBondContact O-N 2.95Å; F187-C191 WeakPolarHBondContact CZ-SG 3.5Å; F187-C191 PolarHBondContact O-N 3.33Å; F187-C191 PolarHBondContact O-SG 3.27Å; F187-L201 HydrophobicContact CZ-CD2 4.1Å; F187-P202 HydrophobicContact CE2-CG 4.29Å
188I98.8Very high98.2Very high0 Ų041.5 Ų41.50%021%0.209CC..Hα-helixtrans-61.9-43.1177.3-68.5169.6000110.5M160 V163 V184 A185 K190 C191 F198 A214 L218M160-I188 HydrophobicContact CE-CB 4.47Å; M160-I188 HydrophobicContact CE-CG1 4.02Å; M160-I188 HydrophobicContact SD-CD1 4.48Å; M160-I188 HydrophobicContact SD-CG1 3.82Å; V163-I188 HydrophobicContact CG1-CD1 4.17Å; V163-I188 HydrophobicContact CG1-CG1 4.42Å; V184-I188 HydrophobicContact CG1-CD1 3.73Å; V184-I188 HydrophobicContact CG1-CG1 4.42Å; V184-I188 WeakPolarHBondContact O-CB 3.23Å; V184-I188 VanDerWaalsContact O-CG1 3.25Å; V184-I188 WeakPolarHBondContact O-CG1 3.01Å; V184-I188 PolarHBondContact O-N 3.46Å; A185-I188 PolarHBondContact O-N 3.09Å; I188-K190 VanDerWaalsContact C-N 3.29Å; I188-K190 PolarHBondContact O-N 3.31Å; I188-C191 WeakPolarHBondContact O-CB 3.44Å; I188-C191 PolarHBondContact O-N 3.25Å; I188-F198 HydrophobicContact CG2-CD1 3.95Å; I188-F198 HydrophobicContact CG2-CE1 3.65Å; I188-F198 HydrophobicContact CG2-CZ 4.33Å; I188-F198 WeakPolarHBondContact O-CD1 3.39Å; I188-F198 VanDerWaalsContact O-CE1 3.31Å; I188-F198 WeakPolarHBondContact O-CE1 3.26Å; I188-A214 HydrophobicContact CG2-CB 3.63Å; I188-L218 HydrophobicContact CB-CD2 4.24Å; I188-L218 HydrophobicContact CB-CG 4.4Å; I188-L218 HydrophobicContact CD1-CD2 3.97Å; I188-L218 HydrophobicContact CD1-CG 3.93Å; I188-L218 HydrophobicContact CG2-CD1 3.65Å; I188-L218 HydrophobicContact CG2-CD2 4.16Å; I188-L218 HydrophobicContact CG2-CG 3.85Å
189A98.5Very high98.3Very high44 Ų4439.6 Ų39.636%0.36420%0.196SC..Hα-helixtrans-57-41.3176.900000112.1A185 D186 F187 C191 Q192 V227A185-A189 WeakPolarHBondContact O-CB 3.31Å; A185-A189 PolarHBondContact O-N 3.16Å; D186-A189 WeakPolarHBondContact O-CB 3.5Å; D186-A189 PolarHBondContact O-N 3.22Å; F187-A189 VanDerWaalsContact C-N 3.33Å; F187-A189 PolarHBondContact O-N 3.12Å; A189-C191 PolarHBondContact O-N 2.88Å; A189-Q192 PolarHBondContact O-N 3.08Å; A189-V227 HydrophobicContact CB-CG1 3.77Å
190K98.1Very high98.4Very high110 Ų11041.4 Ų41.448%0.47821%0.206SC..Hα-helixtrans-64.4-23.1175.1-64.3173.5-163.8176.90113.7E145 D186 F187 I188 P202E145-K190 IonicContact OE1-NZ 3.6Å; E145-K190 PolarHBondContact OE1-NZ 2.9Å; D186-K190 WeakPolarHBondContact O-CG 3.47Å; D186-K190 PolarHBondContact O-N 2.8Å; D186-K190 VanDerWaalsContact O-N 3.12Å; F187-K190 WeakPolarHBondContact O-CB 3.25Å; F187-K190 PolarHBondContact O-N 2.95Å; I188-K190 VanDerWaalsContact C-N 3.29Å; I188-K190 PolarHBondContact O-N 3.31Å; K190-P202 HydrophobicContact CB-CB 4.48Å; K190-P202 HydrophobicContact CB-CG 3.96Å
191C98.6Very high98.4Very high1 Ų140.7 Ų40.71%0.00720%0.202CC..THydrogen-bonded Turntrans-85.7-6.9-177.7-66.30000113.5M160 F187 I188 A189 T193 F198 A199M160-C191 HydrophobicContact CE-CB 3.51Å; M160-C191 VanDerWaalsContact CE-SG 3.55Å; F187-C191 WeakPolarHBondContact CZ-SG 3.5Å; F187-C191 PolarHBondContact O-N 3.33Å; F187-C191 PolarHBondContact O-SG 3.27Å; I188-C191 WeakPolarHBondContact O-CB 3.44Å; I188-C191 PolarHBondContact O-N 3.25Å; A189-C191 PolarHBondContact O-N 2.88Å; C191-T193 PolarHBondContact O-N 2.68Å; C191-F198 HydrophobicContact CB-CD1 4.32Å; C191-F198 WeakPolarHBondContact O-CA 3.48Å; C191-A199 PolarHBondContact O-N 3.17Å
192Q98.4Very high98.3Very high50 Ų5040.9 Ų40.923%0.23420%0.202CC..BIsolated β-bridgetrans-70.6130.1175.5-160.5176.116.600110.4A189 G196 F198 S234A189-Q192 PolarHBondContact O-N 3.08Å; Q192-G196 WeakPolarHBondContact CG-O 3.4Å; Q192-G196 PolarHBondContact NE2-O 3.31Å; Q192-F198 HydrophobicContact CB-CD1 3.83Å; Q192-F198 HydrophobicContact CB-CE1 3.62Å; Q192-F198 HydrophobicContact CB-CZ 4.23Å; Q192-F198 HydrophobicContact CG-CD1 4.28Å; Q192-F198 HydrophobicContact CG-CE1 4.01Å; Q192-F198 HydrophobicContact CG-CZ 4.14Å; Q192-S234 PolarHBondContact NE2-O 2.8Å; Q192-S234 PolarHBondContact NE2-OG 2.96Å; Q192-S234 PolarHBondContact OE1-OG 3.48Å
193T98.5Very high98.2Very high23 Ų2347.3 Ų47.314%0.14122%0.224CC..  trans-96.3169.4-176.4850000112C191 Q195 G196 G197 A199 L204 A206C191-T193 PolarHBondContact O-N 2.68Å; T193-Q195 PolarHBondContact O-N 2.94Å; T193-Q195 VanDerWaalsContact O-N 3.1Å; T193-Q195 WeakPolarHBondContact OG1-CB 3.35Å; T193-Q195 PolarHBondContact OG1-N 2.82Å; T193-Q195 VanDerWaalsContact OG1-N 3.11Å; T193-G196 PolarHBondContact O-N 3.49Å; T193-G197 PolarHBondContact N-O 3.02Å; T193-G197 PolarHBondContact OG1-O 3.24Å; T193-A199 HydrophobicContact CG2-CB 3.8Å; T193-L204 WeakPolarHBondContact CG2-O 3.31Å; T193-A206 HydrophobicContact CG2-CB 3.84Å; T193-A206 WeakPolarHBondContact OG1-CB 3.38Å
194Y97.2Very high98.2Very high206 Ų20649.4 Ų49.481%0.80824%0.235SC*.THydrogen-bonded Turntrans-60.3-18.5173.574.2-89.6000113.6G196Y194-G196 VanDerWaalsContact C-N 3.33Å
195Q97Very high98.2Very high41 Ų4153.4 Ų53.419%0.19225%0.254CS..THydrogen-bonded Turntrans-78.4-19.7178.4-58.7174.8-6200112.1T193 W241T193-Q195 PolarHBondContact O-N 2.94Å; T193-Q195 VanDerWaalsContact O-N 3.1Å; T193-Q195 WeakPolarHBondContact OG1-CB 3.35Å; T193-Q195 PolarHBondContact OG1-N 2.82Å; T193-Q195 VanDerWaalsContact OG1-N 3.11Å; Q195-W241 WeakPolarHBondContact O-CB 3.49Å
196G97.9Very high98.2Very high2 Ų253.3 Ų53.32%0.02125%0.252CS..SBendtrans110.1-35.9-177.400000113.8Q192 T193 Y194 L238Q192-G196 WeakPolarHBondContact CG-O 3.4Å; Q192-G196 PolarHBondContact NE2-O 3.31Å; T193-G196 PolarHBondContact O-N 3.49Å; Y194-G196 VanDerWaalsContact C-N 3.33Å; G196-L238 WeakPolarHBondContact O-CB 3.47Å
197G98.6Very high98.2Very high0 Ų051 Ų510%024%0.239CC..SBendtrans-72.9173.5174.800000113.9T193T193-G197 PolarHBondContact N-O 3.02Å; T193-G197 PolarHBondContact OG1-O 3.24Å
198F98.8Very high98.2Very high0 Ų051 Ų510%024%0.239CC..BIsolated β-bridgetrans-102.8148.4175.5-61.2-98000111.8I188 C191 Q192 A206 H207 T211 A214 V215 I228 L238I188-F198 HydrophobicContact CG2-CD1 3.95Å; I188-F198 HydrophobicContact CG2-CE1 3.65Å; I188-F198 HydrophobicContact CG2-CZ 4.33Å; I188-F198 WeakPolarHBondContact O-CD1 3.39Å; I188-F198 VanDerWaalsContact O-CE1 3.31Å; I188-F198 WeakPolarHBondContact O-CE1 3.26Å; C191-F198 HydrophobicContact CB-CD1 4.32Å; C191-F198 WeakPolarHBondContact O-CA 3.48Å; Q192-F198 HydrophobicContact CB-CD1 3.83Å; Q192-F198 HydrophobicContact CB-CE1 3.62Å; Q192-F198 HydrophobicContact CB-CZ 4.23Å; Q192-F198 HydrophobicContact CG-CD1 4.28Å; Q192-F198 HydrophobicContact CG-CE1 4.01Å; Q192-F198 HydrophobicContact CG-CZ 4.14Å; F198-A206 WeakPolarHBondContact O-CA 3.46Å; F198-H207 PolarHBondContact O-N 2.88Å; F198-T211 HydrophobicContact CD2-CG2 4.22Å; F198-T211 PolarHBondContact N-OG1 3.4Å; F198-T211 PolarHBondContact O-OG1 3.36Å; F198-A214 HydrophobicContact CB-CB 3.82Å; F198-A214 HydrophobicContact CD1-CB 3.82Å; F198-A214 HydrophobicContact CD2-CB 3.73Å; F198-A214 HydrophobicContact CE1-CB 4.31Å; F198-A214 HydrophobicContact CE2-CB 4.23Å; F198-A214 HydrophobicContact CG-CB 3.51Å; F198-V215 HydrophobicContact CE2-CG2 4.17Å; F198-I228 HydrophobicContact CE2-CD1 4.46Å; F198-I228 HydrophobicContact CZ-CD1 4.46Å; F198-I228 HydrophobicContact CZ-CG2 4.17Å; F198-L238 HydrophobicContact CD2-CD1 4.31Å; F198-L238 HydrophobicContact CE2-CD1 4.23Å; F198-L238 HydrophobicContact CE2-CD2 3.96Å
199A98.7Very high98.2Very high0 Ų051.5 Ų51.50%024%0.244CC..PPolyproline II helixtrans-103.3168.4174.200000112C191 T193 L201 L204 E205C191-A199 PolarHBondContact O-N 3.17Å; T193-A199 HydrophobicContact CG2-CB 3.8Å; A199-L201 VanDerWaalsContact C-N 3.29Å; A199-L201 WeakPolarHBondContact CB-O 3.38Å; A199-L201 PolarHBondContact O-N 2.72Å; A199-L204 HydrophobicContact CB-CB 3.84Å; A199-L204 WeakPolarHBondContact CB-O 3.26Å; A199-E205 WeakPolarHBondContact CB-O 3.33Å
200N98.3Very high98.2Very high50 Ų5049.5 Ų49.527%0.26723%0.227SC..SBendtrans-66.5-30.8179.4-87.9-21.8000113.4D159 M160 A210D159-N200 HydrophobicContact CB-CB 3.92Å; M160-N200 PolarHBondContact N-O 2.8Å; N200-A210 WeakPolarHBondContact OD1-CB 3.41Å
201L98.4Very high98.3Very high56 Ų5644.2 Ų44.229%0.29320%0.204SC..SBendtrans-144.8160.8175.3-64.6171.9000107.9L148 F187 A199 L204L148-L201 HydrophobicContact CD1-CD2 4.08Å; L148-L201 HydrophobicContact CD2-CD2 3.78Å; F187-L201 HydrophobicContact CZ-CD2 4.1Å; A199-L201 VanDerWaalsContact C-N 3.29Å; A199-L201 WeakPolarHBondContact CB-O 3.38Å; A199-L201 PolarHBondContact O-N 2.72Å; L201-L204 HydrophobicContact CB-CD1 3.78Å; L201-L204 HydrophobicContact CB-CG 4.14Å; L201-L204 HydrophobicContact CD1-CD1 4.32Å; L201-L204 HydrophobicContact CG-CD1 4.33Å; L201-L204 WeakPolarHBondContact O-CB 3.31Å; L201-L204 PolarHBondContact O-N 2.9Å
202P97.9Very high98.3Very high29 Ų2944.2 Ų44.219%0.18820%0.204CC..THydrogen-bonded Turntrans-53.2144.6175.8-27.136.4000112.6F187 K190 L204F187-P202 HydrophobicContact CE2-CG 4.29Å; K190-P202 HydrophobicContact CB-CB 4.48Å; K190-P202 HydrophobicContact CB-CG 3.96Å; P202-L204 PolarHBondContact O-N 3.3Å
203Y96.4Very high98.3Very high234 Ų23442.1 Ų42.192%0.91820%0.195SC*.THydrogen-bonded Turntrans665.4179.3-43.1-71000116.5
204L98.1Very high98.3Very high94 Ų9441 Ų4149%0.49219%0.188SC..SBendtrans-86.8173.7171.1-58-170.5000111.6T193 A199 L201 P202T193-L204 WeakPolarHBondContact CG2-O 3.31Å; A199-L204 HydrophobicContact CB-CB 3.84Å; A199-L204 WeakPolarHBondContact CB-O 3.26Å; L201-L204 HydrophobicContact CB-CD1 3.78Å; L201-L204 HydrophobicContact CB-CG 4.14Å; L201-L204 HydrophobicContact CD1-CD1 4.32Å; L201-L204 HydrophobicContact CG-CD1 4.33Å; L201-L204 WeakPolarHBondContact O-CB 3.31Å; L201-L204 PolarHBondContact O-N 2.9Å; P202-L204 PolarHBondContact O-N 3.3Å
205E98.4Very high98.4Very high85 Ų8531.2 Ų31.240%0.39715%0.15SC..PPolyproline II helixtrans-70.3141178.3-170.8-176.5-172.200111.6A199 R253A199-E205 WeakPolarHBondContact CB-O 3.33Å; E205-R253 VanDerWaalsContact OE1-CD 3.29Å; E205-R253 WeakPolarHBondContact OE1-CD 3.35Å; E205-R253 WeakPolarHBondContact OE2-CD 3.4Å; E205-R253 IonicContact OE2-CZ 2.89Å; E205-R253 IonicContact OE2-NE 3.09Å; E205-R253 IonicContact OE2-NH1 3.48Å; E205-R253 PolarHBondContact OE2-NH1 2.74Å
206A98.7Very high98.5Very high0 Ų029.2 Ų29.20%014%0.141CC..PPolyproline II helixtrans-64.4138.4174.500000110.5T193 F198 W241 R253T193-A206 HydrophobicContact CG2-CB 3.84Å; T193-A206 WeakPolarHBondContact OG1-CB 3.38Å; F198-A206 WeakPolarHBondContact O-CA 3.46Å; A206-W241 HydrophobicContact CB-CH2 4.07Å; A206-W241 HydrophobicContact CB-CZ2 3.49Å; A206-W241 VanDerWaalsContact CB-CZ2 3.49Å; A206-R253 WeakPolarHBondContact O-CB 3.39Å
207H98.8Very high98.6Very high46 Ų4629.1 Ų29.121%0.21314%0.14CC..  trans-140.8138.6-178.7-164.4-92.7000110.8F198 G209 A210 T211 G252 Y262F198-H207 PolarHBondContact O-N 2.88Å; H207-G209 VanDerWaalsContact C-N 3.29Å; H207-G209 PolarHBondContact ND1-N 2.88Å; H207-G209 PolarHBondContact O-N 3.49Å; H207-A210 HydrophobicContact CB-CB 4.31Å; H207-A210 PolarHBondContact O-N 3.01Å; H207-A210 VanDerWaalsContact O-N 3.08Å; H207-T211 WeakPolarHBondContact O-CB 3.26Å; H207-T211 PolarHBondContact O-N 3.5Å; H207-T211 PolarHBondContact O-OG1 3.19Å; H207-G252 CarbonylContact C-O 3.52Å; H207-G252 WeakPolarHBondContact CA-O 3.47Å; H207-Y262 AromaticContact CE1-CE1 3.68Å; H207-Y262 AromaticContact CE1-CZ 3.81Å; H207-Y262 PolarHBondContact CE1-OH 3.23Å; H207-Y262 PolarHBondContact NE2-OH 2.89Å
208A98.8Very high98.6Very high0 Ų029.1 Ų29.10%014%0.14CC..Hα-helixtrans-60.9-39.5-171.900000111.8T211 Y212 L245 G252 Y262 W265 V266A208-T211 PolarHBondContact O-N 3.46Å; A208-Y212 PolarHBondContact O-N 3.48Å; A208-L245 HydrophobicContact CB-CD1 3.92Å; A208-G252 PolarHBondContact N-O 3.31Å; A208-Y262 HydrophobicContact CB-CD1 3.67Å; A208-Y262 HydrophobicContact CB-CE1 4.09Å; A208-W265 HydrophobicContact CB-CB 4.25Å; A208-V266 HydrophobicContact CB-CG2 3.91Å
209G98.7Very high98.6Very high11 Ų1130.7 Ų30.711%0.11315%0.15CC..Hα-helixtrans-62.4-43.4174.600000113.3H207 T211 C213H207-G209 VanDerWaalsContact C-N 3.29Å; H207-G209 PolarHBondContact ND1-N 2.88Å; H207-G209 PolarHBondContact O-N 3.49Å; G209-T211 VanDerWaalsContact C-N 3.34Å; G209-C213 PolarHBondContact O-N 3.49Å; G209-C213 VanDerWaalsContact O-N 3.08Å; G209-C213 PolarHBondContact O-SG 3.3Å
210A98.8Very high98.6Very high1 Ų131.1 Ų31.11%0.00815%0.152CC..Hα-helixtrans-68.3-37.5176.500000111.4M160 N200 H207 C213 A214M160-A210 HydrophobicContact CB-CB 4.28Å; M160-A210 HydrophobicContact CG-CB 4.39Å; M160-A210 WeakPolarHBondContact CG-O 3.42Å; N200-A210 WeakPolarHBondContact OD1-CB 3.41Å; H207-A210 HydrophobicContact CB-CB 4.31Å; H207-A210 PolarHBondContact O-N 3.01Å; H207-A210 VanDerWaalsContact O-N 3.08Å; A210-C213 PolarHBondContact O-N 3.43Å; A210-A214 WeakPolarHBondContact O-CB 3.09Å; A210-A214 PolarHBondContact O-N 3.34Å
211T98.9Very high98.6Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-61.9-47175.6-62.40000112F198 H207 A208 G209 C213 A214 V215 L238 W241 L242F198-T211 HydrophobicContact CD2-CG2 4.22Å; F198-T211 PolarHBondContact N-OG1 3.4Å; F198-T211 PolarHBondContact O-OG1 3.36Å; H207-T211 WeakPolarHBondContact O-CB 3.26Å; H207-T211 PolarHBondContact O-N 3.5Å; H207-T211 PolarHBondContact O-OG1 3.19Å; A208-T211 PolarHBondContact O-N 3.46Å; G209-T211 VanDerWaalsContact C-N 3.34Å; T211-C213 PolarHBondContact O-N 3.33Å; T211-A214 PolarHBondContact O-N 2.92Å; T211-V215 HydrophobicContact CG2-CG2 4.39Å; T211-V215 WeakPolarHBondContact O-CB 3.32Å; T211-V215 VanDerWaalsContact O-CG2 3.32Å; T211-V215 WeakPolarHBondContact O-CG2 3.32Å; T211-V215 PolarHBondContact O-N 3.07Å; T211-L238 HydrophobicContact CG2-CD1 3.57Å; T211-W241 HydrophobicContact CG2-CZ3 3.99Å; T211-W241 VanDerWaalsContact OG1-CZ3 3.27Å; T211-W241 WeakPolarHBondContact OG1-CZ3 3.35Å; T211-L242 HydrophobicContact CG2-CD1 4.44Å; T211-L242 HydrophobicContact CG2-CD2 3.91Å; T211-L242 HydrophobicContact CG2-CG 4.37Å
212Y98.9Very high98.6Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-57.6-49.7171.9166.2-92000111.3F164 A208 A214 V215 A216 F264 W265 A268 S269 P363F164-Y212 HydrophobicContact CD1-CE1 4.44Å; F164-Y212 HydrophobicContact CD2-CE1 4.2Å; F164-Y212 HydrophobicContact CE1-CE1 4.11Å; F164-Y212 AromaticContact CE2-CE1 3.85Å; F164-Y212 HydrophobicContact CE2-CE1 3.85Å; F164-Y212 HydrophobicContact CG-CE1 4.49Å; F164-Y212 AromaticContact CZ-CE1 3.81Å; F164-Y212 HydrophobicContact CZ-CE1 3.81Å; F164-Y212 WeakPolarHBondContact CZ-OH 3.33Å; A208-Y212 PolarHBondContact O-N 3.48Å; Y212-A214 VanDerWaalsContact C-N 3.28Å; Y212-A214 PolarHBondContact O-N 3.11Å; Y212-V215 PolarHBondContact O-N 3.13Å; Y212-A216 HydrophobicContact CD2-CB 4.5Å; Y212-A216 HydrophobicContact CE1-CB 4.27Å; Y212-A216 HydrophobicContact CE2-CB 4.1Å; Y212-A216 WeakPolarHBondContact O-CB 3.49Å; Y212-A216 PolarHBondContact O-N 3.28Å; Y212-F264 HydrophobicContact CD1-CE1 4.39Å; Y212-F264 AromaticContact CD2-CE1 3.94Å; Y212-F264 HydrophobicContact CD2-CE1 3.94Å; Y212-F264 HydrophobicContact CD2-CZ 4.23Å; Y212-F264 HydrophobicContact CE1-CE1 4.01Å; Y212-F264 AromaticContact CE2-CE1 3.46Å; Y212-F264 HydrophobicContact CE2-CE1 3.46Å; Y212-F264 VanDerWaalsContact CE2-CE1 3.46Å; Y212-F264 AromaticContact CE2-CZ 3.42Å; Y212-F264 HydrophobicContact CE2-CZ 3.42Å; Y212-F264 VanDerWaalsContact CE2-CZ 3.42Å; Y212-F264 HydrophobicContact CG-CE1 4.36Å; Y212-F264 AromaticContact CZ-CE1 3.51Å; Y212-F264 AromaticContact CZ-CZ 3.61Å; Y212-W265 AromaticContact CD1-CE3 3.36Å; Y212-W265 HydrophobicContact CD1-CE3 3.36Å; Y212-W265 AromaticContact CD1-CZ3 3.29Å; Y212-W265 HydrophobicContact CD1-CZ3 3.29Å; Y212-W265 HydrophobicContact CD2-CE3 4.29Å; Y212-W265 HydrophobicContact CE1-CE3 4.02Å; Y212-W265 AromaticContact CE1-CZ3 3.56Å; Y212-W265 HydrophobicContact CE1-CZ3 3.56Å; Y212-W265 AromaticContact CG-CE3 3.53Å; Y212-W265 HydrophobicContact CG-CE3 3.53Å; Y212-W265 AromaticContact CG-CZ3 3.96Å; Y212-W265 HydrophobicContact CG-CZ3 3.96Å; Y212-A268 HydrophobicContact CD2-CB 3.81Å; Y212-A268 HydrophobicContact CE2-CB 3.76Å; Y212-S269 VanDerWaalsContact CA-OG 3.23Å; Y212-S269 WeakPolarHBondContact CA-OG 3.21Å; Y212-S269 PolarHBondContact N-OG 3.17Å; Y212-P363 WeakPolarHBondContact CE2-O 3.46Å; Y212-P363 PolarHBondContact OH-O 3.3Å
213C98.9Very high98.6Very high6 Ų634.2 Ų34.24%0.04117%0.166CC..Hα-helixtrans-58.4-42.5-178.2-70.20000111.4M160 F164 G209 A210 T211 S217M160-C213 HydrophobicContact CB-CB 4.45Å; M160-C213 HydrophobicContact CG-CB 3.66Å; M160-C213 WeakPolarHBondContact O-CB 3.28Å; F164-C213 HydrophobicContact CB-CB 3.63Å; F164-C213 HydrophobicContact CG-CB 4.32Å; G209-C213 PolarHBondContact O-N 3.49Å; G209-C213 VanDerWaalsContact O-N 3.08Å; G209-C213 PolarHBondContact O-SG 3.3Å; A210-C213 PolarHBondContact O-N 3.43Å; T211-C213 PolarHBondContact O-N 3.33Å; C213-S217 WeakPolarHBondContact O-CB 3.15Å; C213-S217 PolarHBondContact O-N 3.46Å; C213-S217 PolarHBondContact O-OG 3.44Å
214A98.9Very high98.7Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-63-54.7175.400000112.4M160 I188 F198 A210 T211 Y212 A216 S217 L218M160-A214 HydrophobicContact CE-CB 4.3Å; M160-A214 HydrophobicContact CG-CB 4.31Å; M160-A214 HydrophobicContact SD-CB 3.98Å; I188-A214 HydrophobicContact CG2-CB 3.63Å; F198-A214 HydrophobicContact CB-CB 3.82Å; F198-A214 HydrophobicContact CD1-CB 3.82Å; F198-A214 HydrophobicContact CD2-CB 3.73Å; F198-A214 HydrophobicContact CE1-CB 4.31Å; F198-A214 HydrophobicContact CE2-CB 4.23Å; F198-A214 HydrophobicContact CG-CB 3.51Å; A210-A214 WeakPolarHBondContact O-CB 3.09Å; A210-A214 PolarHBondContact O-N 3.34Å; T211-A214 PolarHBondContact O-N 2.92Å; Y212-A214 VanDerWaalsContact C-N 3.28Å; Y212-A214 PolarHBondContact O-N 3.11Å; A214-A216 PolarHBondContact O-N 2.93Å; A214-S217 PolarHBondContact O-N 2.83Å; A214-L218 WeakPolarHBondContact O-CB 3.39Å; A214-L218 VanDerWaalsContact O-CG 3.31Å; A214-L218 WeakPolarHBondContact O-CG 3.44Å; A214-L218 PolarHBondContact O-N 3.4Å
215V98.9Very high98.7Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-63.9-44.5-176.3171.60000111.5F198 T211 Y212 L218 S219 L224 I228 L238 I272 L273F198-V215 HydrophobicContact CE2-CG2 4.17Å; T211-V215 HydrophobicContact CG2-CG2 4.39Å; T211-V215 WeakPolarHBondContact O-CB 3.32Å; T211-V215 VanDerWaalsContact O-CG2 3.32Å; T211-V215 WeakPolarHBondContact O-CG2 3.32Å; T211-V215 PolarHBondContact O-N 3.07Å; Y212-V215 PolarHBondContact O-N 3.13Å; V215-L218 PolarHBondContact O-N 3.23Å; V215-S219 PolarHBondContact O-N 3.49Å; V215-L224 HydrophobicContact CG1-CD1 4.1Å; V215-I228 HydrophobicContact CG2-CD1 4.38Å; V215-L238 HydrophobicContact CG2-CD2 4Å; V215-I272 HydrophobicContact CG1-CB 3.87Å; V215-I272 HydrophobicContact CG1-CD1 4.15Å; V215-I272 HydrophobicContact CG1-CG2 3.59Å; V215-L273 HydrophobicContact CG1-CD2 4.35Å; V215-L273 HydrophobicContact CG1-CG 4.23Å
216A98.9Very high98.7Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-65.3-42.617700000111.9F164 Y212 A214 L218 S219 L220 I272F164-A216 HydrophobicContact CD2-CB 3.9Å; F164-A216 HydrophobicContact CE2-CB 3.72Å; Y212-A216 HydrophobicContact CD2-CB 4.5Å; Y212-A216 HydrophobicContact CE1-CB 4.27Å; Y212-A216 HydrophobicContact CE2-CB 4.1Å; Y212-A216 WeakPolarHBondContact O-CB 3.49Å; Y212-A216 PolarHBondContact O-N 3.28Å; A214-A216 PolarHBondContact O-N 2.93Å; A216-L218 PolarHBondContact O-N 2.85Å; A216-S219 PolarHBondContact O-N 3.36Å; A216-L220 VanDerWaalsContact O-CG 3.3Å; A216-L220 WeakPolarHBondContact O-CG 3.5Å; A216-L220 PolarHBondContact O-N 3.02Å; A216-I272 HydrophobicContact CB-CD1 3.94Å
217S98.9Very high98.7Very high0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-61.4-46.4176.5-59.80000111.7F164 C213 A214 S219 L220 I221F164-S217 VanDerWaalsContact CA-OG 3.25Å; F164-S217 WeakPolarHBondContact CA-OG 3.47Å; C213-S217 WeakPolarHBondContact O-CB 3.15Å; C213-S217 PolarHBondContact O-N 3.46Å; C213-S217 PolarHBondContact O-OG 3.44Å; A214-S217 PolarHBondContact O-N 2.83Å; S217-S219 VanDerWaalsContact C-N 3.31Å; S217-S219 PolarHBondContact O-N 3.28Å; S217-L220 PolarHBondContact O-N 3Å; S217-I221 WeakPolarHBondContact O-CG1 3.45Å; S217-I221 PolarHBondContact O-N 3.24Å; S217-I221 VanDerWaalsContact O-N 3.11Å
218L98.9Very high98.6Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-61.7-37.5177.2-72.3174.8000112.4A185 I188 A214 V215 A216 D222 K223 L224 V227 I228A185-L218 HydrophobicContact CB-CD2 4.14Å; I188-L218 HydrophobicContact CB-CD2 4.24Å; I188-L218 HydrophobicContact CB-CG 4.4Å; I188-L218 HydrophobicContact CD1-CD2 3.97Å; I188-L218 HydrophobicContact CD1-CG 3.93Å; I188-L218 HydrophobicContact CG2-CD1 3.65Å; I188-L218 HydrophobicContact CG2-CD2 4.16Å; I188-L218 HydrophobicContact CG2-CG 3.85Å; A214-L218 WeakPolarHBondContact O-CB 3.39Å; A214-L218 VanDerWaalsContact O-CG 3.31Å; A214-L218 WeakPolarHBondContact O-CG 3.44Å; A214-L218 PolarHBondContact O-N 3.4Å; V215-L218 PolarHBondContact O-N 3.23Å; A216-L218 PolarHBondContact O-N 2.85Å; L218-D222 PolarHBondContact O-N 3.24Å; L218-K223 HydrophobicContact CD2-CB 4Å; L218-K223 PolarHBondContact O-N 2.98Å; L218-L224 HydrophobicContact CB-CB 4.19Å; L218-L224 HydrophobicContact CB-CD1 3.97Å; L218-L224 HydrophobicContact CD1-CD1 4.37Å; L218-L224 PolarHBondContact O-N 3.28Å; L218-L224 VanDerWaalsContact O-N 3.08Å; L218-V227 HydrophobicContact CD1-CB 3.93Å; L218-V227 HydrophobicContact CD1-CG1 3.89Å; L218-V227 HydrophobicContact CD1-CG2 4.48Å; L218-V227 HydrophobicContact CD2-CB 4.05Å; L218-V227 HydrophobicContact CD2-CG1 4.43Å; L218-V227 HydrophobicContact CD2-CG2 3.68Å; L218-I228 HydrophobicContact CD1-CG1 4.47Å
219S98.8Very high98.6Very high32 Ų3225.4 Ų25.422%0.22415%0.147CC..Hα-helixtrans-64.8-47.7175-170.60000111.2V215 A216 S217 I221 D222 E364V215-S219 PolarHBondContact O-N 3.49Å; A216-S219 PolarHBondContact O-N 3.36Å; S217-S219 VanDerWaalsContact C-N 3.31Å; S217-S219 PolarHBondContact O-N 3.28Å; S219-I221 VanDerWaalsContact C-N 3.31Å; S219-I221 PolarHBondContact O-N 3.47Å; S219-D222 PolarHBondContact O-N 3.11Å; S219-D222 VanDerWaalsContact O-N 3.16Å; S219-E364 WeakPolarHBondContact OG-CG 3.43Å; S219-E364 PolarHBondContact OG-OE1 2.66Å; S219-E364 VanDerWaalsContact OG-OE1 3.11Å
220L98.8Very high98.5Very high9 Ų928.1 Ų28.15%0.04717%0.168CC..Hα-helixtrans-63.9-31-178.3-70.5169.5000114F164 V167 A168 Y171 L176 A216 S217 E364 L365F164-L220 HydrophobicContact CE2-CD1 4.47Å; V167-L220 HydrophobicContact CG1-CB 3.79Å; V167-L220 HydrophobicContact CG1-CD1 4.1Å; A168-L220 HydrophobicContact CB-CD1 4.11Å; Y171-L220 HydrophobicContact CD1-CD2 3.92Å; Y171-L220 HydrophobicContact CD2-CB 4.24Å; Y171-L220 HydrophobicContact CD2-CD2 3.75Å; Y171-L220 HydrophobicContact CE1-CD2 4.11Å; Y171-L220 HydrophobicContact CE2-CD2 3.94Å; Y171-L220 HydrophobicContact CG-CD2 3.74Å; L176-L220 WeakPolarHBondContact CD1-O 3.17Å; A216-L220 VanDerWaalsContact O-CG 3.3Å; A216-L220 WeakPolarHBondContact O-CG 3.5Å; A216-L220 PolarHBondContact O-N 3.02Å; S217-L220 PolarHBondContact O-N 3Å; L220-E364 HydrophobicContact CD1-CB 4.48Å; L220-E364 HydrophobicContact CD2-CB 3.75Å; L220-E364 HydrophobicContact CD2-CG 4.49Å; L220-E364 HydrophobicContact CG-CB 3.93Å; L220-L365 HydrophobicContact CD1-CD2 3.86Å; L220-L365 HydrophobicContact CD2-CD2 3.92Å; L220-L365 HydrophobicContact CD2-CG 4.12Å
221I98.6Very high98.4Very high13 Ų1331.4 Ų31.47%0.06720%0.202CC..THydrogen-bonded Turntrans-96.49.8178.371.6-174.8000113.6V167 L176 C181 V184 A185 S217 S219 K223V167-I221 HydrophobicContact CG1-CG2 3.52Å; V167-I221 HydrophobicContact CG2-CG2 4.24Å; L176-I221 HydrophobicContact CD1-CG2 4.49Å; L176-I221 HydrophobicContact CD2-CG2 3.99Å; C181-I221 HydrophobicContact CB-CB 4.29Å; C181-I221 HydrophobicContact CB-CD1 4.44Å; V184-I221 HydrophobicContact CB-CD1 4.12Å; V184-I221 HydrophobicContact CG1-CD1 3.75Å; A185-I221 HydrophobicContact CB-CD1 4.42Å; S217-I221 WeakPolarHBondContact O-CG1 3.45Å; S217-I221 PolarHBondContact O-N 3.24Å; S217-I221 VanDerWaalsContact O-N 3.11Å; S219-I221 VanDerWaalsContact C-N 3.31Å; S219-I221 PolarHBondContact O-N 3.47Å; I221-K223 VanDerWaalsContact C-N 3.33Å; I221-K223 HydrophobicContact CD1-CB 4.15Å; I221-K223 HydrophobicContact CD1-CG 4.09Å; I221-K223 HydrophobicContact CG1-CB 3.82Å; I221-K223 HydrophobicContact CG1-CG 3.78Å; I221-K223 PolarHBondContact O-N 2.89Å
222D98.5Very high98.3Very high149 Ų14932.8 Ų32.880%0.79721%0.212SC*.THydrogen-bonded Turntrans56.341.6-179-162.333.3000114L218 S219L218-D222 PolarHBondContact O-N 3.24Å; S219-D222 PolarHBondContact O-N 3.11Å; S219-D222 VanDerWaalsContact O-N 3.16Å
223K98.6Very high98.2Very high39 Ų3940.6 Ų40.617%0.1725%0.245CC..  trans-122.12.6179-66.4-72.4175.2168.30114.2E182 A185 L218 I221 E225 S226 V227E182-K223 WeakPolarHBondContact OE1-CE 3.28Å; E182-K223 IonicContact OE1-NZ 2.69Å; E182-K223 PolarHBondContact OE1-NZ 2.92Å; E182-K223 WeakPolarHBondContact OE2-CE 3.29Å; E182-K223 IonicContact OE2-NZ 3.22Å; E182-K223 PolarHBondContact OE2-NZ 3.22Å; A185-K223 HydrophobicContact CB-CB 3.89Å; A185-K223 HydrophobicContact CB-CD 4.35Å; A185-K223 HydrophobicContact CB-CG 3.95Å; L218-K223 HydrophobicContact CD2-CB 4Å; L218-K223 PolarHBondContact O-N 2.98Å; I221-K223 VanDerWaalsContact C-N 3.33Å; I221-K223 HydrophobicContact CD1-CB 4.15Å; I221-K223 HydrophobicContact CD1-CG 4.09Å; I221-K223 HydrophobicContact CG1-CB 3.82Å; I221-K223 HydrophobicContact CG1-CG 3.78Å; I221-K223 PolarHBondContact O-N 2.89Å; K223-E225 PolarHBondContact O-N 3.28Å; K223-S226 WeakPolarHBondContact O-CB 3.4Å; K223-S226 PolarHBondContact O-N 2.74Å; K223-S226 VanDerWaalsContact O-N 3.15Å; K223-V227 PolarHBondContact O-N 3.41Å
224L98.5Very high98.2Very high14 Ų1441.9 Ų41.97%0.07326%0.255CS..Hα-helixtrans-56-52.8179.5-172.469.2000112V215 L218 S226 V227 I228 I272 L273V215-L224 HydrophobicContact CG1-CD1 4.1Å; L218-L224 HydrophobicContact CB-CB 4.19Å; L218-L224 HydrophobicContact CB-CD1 3.97Å; L218-L224 HydrophobicContact CD1-CD1 4.37Å; L218-L224 PolarHBondContact O-N 3.28Å; L218-L224 VanDerWaalsContact O-N 3.08Å; L224-S226 PolarHBondContact O-N 3.18Å; L224-V227 PolarHBondContact O-N 3.29Å; L224-I228 HydrophobicContact CD1-CD1 3.61Å; L224-I228 HydrophobicContact CD1-CG1 3.76Å; L224-I228 HydrophobicContact CG-CG1 4.34Å; L224-I228 CarbonylContact O-C 3.58Å; L224-I228 WeakPolarHBondContact O-CG1 3.14Å; L224-I228 PolarHBondContact O-N 3.2Å; L224-I272 HydrophobicContact CD2-CG2 3.87Å; L224-L273 HydrophobicContact CD1-CD2 4.4Å; L224-L273 HydrophobicContact CD2-CD2 4.5Å
225E98.1Very high98.1Very high96 Ų9642.8 Ų42.845%0.44926%0.258SS..Hα-helixtrans-72.1-17.4-179.7-61.7-56.114700113.2K223 P229 A230 R235K223-E225 PolarHBondContact O-N 3.28Å; E225-P229 VanDerWaalsContact O-CA 3.32Å; E225-P229 WeakPolarHBondContact O-CA 3.38Å; E225-P229 WeakPolarHBondContact O-CB 3.49Å; E225-P229 VanDerWaalsContact O-CG 3.24Å; E225-P229 WeakPolarHBondContact O-CG 3.26Å; E225-A230 WeakPolarHBondContact OE2-CB 3.43Å; E225-A230 PolarHBondContact OE2-N 3.19Å; E225-R235 VanDerWaalsContact CD-NH1 3.27Å; E225-R235 IonicContact OE1-CZ 2.99Å; E225-R235 IonicContact OE1-NH1 3.16Å; E225-R235 PolarHBondContact OE1-NH1 3.23Å; E225-R235 IonicContact OE1-NH2 2.79Å; E225-R235 IonicContact OE2-NH1 3.38Å; E225-R235 PolarHBondContact OE2-NH1 3.28Å
226S97.8Very high98.1Very high85 Ų8547.1 Ų47.159%0.59428%0.282SS*.Hα-helixtrans-79-40.3173.7-172.80000112K223 L224K223-S226 WeakPolarHBondContact O-CB 3.4Å; K223-S226 PolarHBondContact O-N 2.74Å; K223-S226 VanDerWaalsContact O-N 3.15Å; L224-S226 PolarHBondContact O-N 3.18Å
227V98.1Very high98.1Very high27 Ų2750.4 Ų50.416%0.16430%0.299CS..Hα-helixtrans-89.8-40.8-174.5175.30000111.9A185 A189 L218 K223 L224A185-V227 HydrophobicContact CB-CG2 3.92Å; A189-V227 HydrophobicContact CB-CG1 3.77Å; L218-V227 HydrophobicContact CD1-CB 3.93Å; L218-V227 HydrophobicContact CD1-CG1 3.89Å; L218-V227 HydrophobicContact CD1-CG2 4.48Å; L218-V227 HydrophobicContact CD2-CB 4.05Å; L218-V227 HydrophobicContact CD2-CG1 4.43Å; L218-V227 HydrophobicContact CD2-CG2 3.68Å; K223-V227 PolarHBondContact O-N 3.41Å; L224-V227 PolarHBondContact O-N 3.29Å
228I97.7Very high98.1Very high0 Ų050.4 Ų50.40%030%0.299CS..SBendtrans-131.269.7178.149.7171.8000111.4F198 V215 L218 L224 S234 L238 L273F198-I228 HydrophobicContact CE2-CD1 4.46Å; F198-I228 HydrophobicContact CZ-CD1 4.46Å; F198-I228 HydrophobicContact CZ-CG2 4.17Å; V215-I228 HydrophobicContact CG2-CD1 4.38Å; L218-I228 HydrophobicContact CD1-CG1 4.47Å; L224-I228 HydrophobicContact CD1-CD1 3.61Å; L224-I228 HydrophobicContact CD1-CG1 3.76Å; L224-I228 HydrophobicContact CG-CG1 4.34Å; L224-I228 CarbonylContact O-C 3.58Å; L224-I228 WeakPolarHBondContact O-CG1 3.14Å; L224-I228 PolarHBondContact O-N 3.2Å; I228-S234 WeakPolarHBondContact CG2-OG 3.13Å; I228-L238 HydrophobicContact CD1-CD2 3.5Å; I228-L238 VanDerWaalsContact CD1-CD2 3.5Å; I228-L273 HydrophobicContact CD1-CD2 4.07Å
229P97.9Very high98.1Very high52 Ų5251.5 Ų51.534%0.33830%0.304SS..  trans-55.2145-174.3-1824.6000113.4E225 G231 S232 R235E225-P229 VanDerWaalsContact O-CA 3.32Å; E225-P229 WeakPolarHBondContact O-CA 3.38Å; E225-P229 WeakPolarHBondContact O-CB 3.49Å; E225-P229 VanDerWaalsContact O-CG 3.24Å; E225-P229 WeakPolarHBondContact O-CG 3.26Å; P229-G231 PolarHBondContact O-N 3.09Å; P229-S232 VanDerWaalsContact O-CB 3.23Å; P229-S232 WeakPolarHBondContact O-CB 3.48Å; P229-S232 PolarHBondContact O-N 3.42Å; P229-S232 PolarHBondContact O-OG 3.48Å; P229-R235 WeakPolarHBondContact O-CB 3.39Å; P229-R235 WeakPolarHBondContact O-CD 3.09Å
230A97.1Very high98.1Very high68 Ų6856.1 Ų56.156%0.56232%0.32SS*.THydrogen-bonded Turntrans-49.8130.4167.700000111.8E225 S232E225-A230 WeakPolarHBondContact OE2-CB 3.43Å; E225-A230 PolarHBondContact OE2-N 3.19Å; A230-S232 VanDerWaalsContact C-N 3.26Å; A230-S232 PolarHBondContact O-N 2.94Å
231G95.9Very high98.1Very high70 Ų7056.2 Ų56.272%0.72232%0.32SS*.THydrogen-bonded Turntrans76.12.8-178.100000115.5P229P229-G231 PolarHBondContact O-N 3.09Å
232S97.7Very high98.1Very high28 Ų2855.6 Ų55.620%0.19632%0.317CS..  trans-76.4147.117371.60000111.6P229 A230 S234 R235 D236P229-S232 VanDerWaalsContact O-CB 3.23Å; P229-S232 WeakPolarHBondContact O-CB 3.48Å; P229-S232 PolarHBondContact O-N 3.42Å; P229-S232 PolarHBondContact O-OG 3.48Å; A230-S232 VanDerWaalsContact C-N 3.26Å; A230-S232 PolarHBondContact O-N 2.94Å; S232-S234 PolarHBondContact O-N 3.42Å; S232-S234 VanDerWaalsContact O-N 3.15Å; S232-R235 PolarHBondContact O-N 3.24Å; S232-R235 WeakPolarHBondContact OG-CB 3.46Å; S232-R235 PolarHBondContact OG-N 3.4Å; S232-D236 PolarHBondContact O-N 2.74Å
233K97.5Very high98.1Very high164 Ų16450.6 Ų50.671%0.71329%0.29SS*.Hα-helixtrans-54.9-34.3173.1-176.7-179.9179-176.70112.4D236 L237K233-D236 PolarHBondContact O-N 3.49Å; K233-L237 HydrophobicContact CG-CD1 4.27Å; K233-L237 WeakPolarHBondContact O-CB 3.37Å; K233-L237 VanDerWaalsContact O-CG 3.29Å; K233-L237 WeakPolarHBondContact O-CG 3.38Å; K233-L237 PolarHBondContact O-N 3.49Å
234S97.5Very high98Very high34 Ų3453.8 Ų53.824%0.23831%0.309CS..Hα-helixtrans-62.4-48.2176.8169.60000111.3Q192 I228 S232 D236 L237 L238Q192-S234 PolarHBondContact NE2-O 2.8Å; Q192-S234 PolarHBondContact NE2-OG 2.96Å; Q192-S234 PolarHBondContact OE1-OG 3.48Å; I228-S234 WeakPolarHBondContact CG2-OG 3.13Å; S232-S234 PolarHBondContact O-N 3.42Å; S232-S234 VanDerWaalsContact O-N 3.15Å; S234-D236 PolarHBondContact O-N 3.37Å; S234-L237 PolarHBondContact O-N 3.15Å; S234-L238 PolarHBondContact O-N 3.45Å
235R98.5Very high98.1Very high18 Ų1853.2 Ų53.27%0.06831%0.306CS..Hα-helixtrans-64.4-40.1177.3-168.2-179.2-176.9143.5-3.8112.1E225 P229 S232 L237 L238 I239 L273E225-R235 VanDerWaalsContact CD-NH1 3.27Å; E225-R235 IonicContact OE1-CZ 2.99Å; E225-R235 IonicContact OE1-NH1 3.16Å; E225-R235 PolarHBondContact OE1-NH1 3.23Å; E225-R235 IonicContact OE1-NH2 2.79Å; E225-R235 IonicContact OE2-NH1 3.38Å; E225-R235 PolarHBondContact OE2-NH1 3.28Å; P229-R235 WeakPolarHBondContact O-CB 3.39Å; P229-R235 WeakPolarHBondContact O-CD 3.09Å; S232-R235 PolarHBondContact O-N 3.24Å; S232-R235 WeakPolarHBondContact OG-CB 3.46Å; S232-R235 PolarHBondContact OG-N 3.4Å; R235-L237 PolarHBondContact O-N 2.83Å; R235-L238 WeakPolarHBondContact O-CB 3.33Å; R235-L238 PolarHBondContact O-N 3.26Å; R235-I239 HydrophobicContact CG-CD1 3.93Å; R235-I239 WeakPolarHBondContact O-CG1 3.14Å; R235-I239 PolarHBondContact O-N 2.91Å; R235-L273 HydrophobicContact CG-CD2 4.48Å; R235-L273 PolarHBondContact NH2-O 3.43Å; R235-L273 VanDerWaalsContact NH2-O 3.09Å
236D98.3Very high98.1Very high92 Ų9250.2 Ų50.249%0.49229%0.292SS..Hα-helixtrans-62.8-41.7177-68.6-15.2000112.1S232 K233 S234 I239 K240S232-D236 PolarHBondContact O-N 2.74Å; K233-D236 PolarHBondContact O-N 3.49Å; S234-D236 PolarHBondContact O-N 3.37Å; D236-I239 PolarHBondContact O-N 3.32Å; D236-K240 VanDerWaalsContact O-CB 3.28Å; D236-K240 WeakPolarHBondContact O-CB 3.44Å; D236-K240 PolarHBondContact O-N 3.02Å
237L98.2Very high98Very high69 Ų6952.8 Ų52.836%0.36129%0.294SS..Hα-helixtrans-64.4-41.5175.2-73.9173.3000111.7K233 S234 R235 K240 W241K233-L237 HydrophobicContact CG-CD1 4.27Å; K233-L237 WeakPolarHBondContact O-CB 3.37Å; K233-L237 VanDerWaalsContact O-CG 3.29Å; K233-L237 WeakPolarHBondContact O-CG 3.38Å; K233-L237 PolarHBondContact O-N 3.49Å; S234-L237 PolarHBondContact O-N 3.15Å; R235-L237 PolarHBondContact O-N 2.83Å; L237-K240 PolarHBondContact O-N 3.5Å; L237-W241 VanDerWaalsContact O-CB 3.27Å; L237-W241 WeakPolarHBondContact O-CB 3.5Å; L237-W241 PolarHBondContact O-N 3.08Å
238L98.8Very high97.8Very high0 Ų054 Ų540%030%0.298CS..Hα-helixtrans-60.2-49.8175.1172.262.1000111.9G196 F198 T211 V215 I228 S234 R235 W241 L242 L273G196-L238 WeakPolarHBondContact O-CB 3.47Å; F198-L238 HydrophobicContact CD2-CD1 4.31Å; F198-L238 HydrophobicContact CE2-CD1 4.23Å; F198-L238 HydrophobicContact CE2-CD2 3.96Å; T211-L238 HydrophobicContact CG2-CD1 3.57Å; V215-L238 HydrophobicContact CG2-CD2 4Å; I228-L238 HydrophobicContact CD1-CD2 3.5Å; I228-L238 VanDerWaalsContact CD1-CD2 3.5Å; S234-L238 PolarHBondContact O-N 3.45Å; R235-L238 WeakPolarHBondContact O-CB 3.33Å; R235-L238 PolarHBondContact O-N 3.26Å; L238-W241 PolarHBondContact O-N 3.26Å; L238-L242 HydrophobicContact CD1-CD1 4.01Å; L238-L242 HydrophobicContact CD1-CG 4.26Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 3.05Å; L238-L273 HydrophobicContact CD2-CD1 3.74Å; L238-L273 HydrophobicContact CD2-CD2 4.4Å; L238-L273 HydrophobicContact CG-CD1 4.06Å
239I98.7Very high97.8Very high22 Ų2254 Ų5411%0.11330%0.298CS..Hα-helixtrans-61.3-47.4179.1-68.2160.8000110R235 D236 W241 L242 L243 L270 L273 C275 L278R235-I239 HydrophobicContact CG-CD1 3.93Å; R235-I239 WeakPolarHBondContact O-CG1 3.14Å; R235-I239 PolarHBondContact O-N 2.91Å; D236-I239 PolarHBondContact O-N 3.32Å; I239-W241 VanDerWaalsContact C-N 3.31Å; I239-W241 PolarHBondContact O-N 2.89Å; I239-L242 PolarHBondContact O-N 3.15Å; I239-L243 HydrophobicContact CG2-CD1 3.82Å; I239-L243 HydrophobicContact CG2-CG 4.38Å; I239-L243 WeakPolarHBondContact O-CG 3.28Å; I239-L243 PolarHBondContact O-N 3.5Å; I239-L270 HydrophobicContact CG2-CD2 4.38Å; I239-L273 HydrophobicContact CG1-CD1 4.12Å; I239-C275 VanDerWaalsContact CD1-SG 3.52Å; I239-C275 HydrophobicContact CG2-CB 4.26Å; I239-L278 HydrophobicContact CG2-CD1 4.4Å
240K98.6Very high97.9Very high129 Ų12951.5 Ų51.556%0.56128%0.282SS*.Hα-helixtrans-58.8-43177.1-178.3177.2180177.80111.8D236 L237 L243 N244D236-K240 VanDerWaalsContact O-CB 3.28Å; D236-K240 WeakPolarHBondContact O-CB 3.44Å; D236-K240 PolarHBondContact O-N 3.02Å; L237-K240 PolarHBondContact O-N 3.5Å; K240-L243 PolarHBondContact O-N 2.93Å; K240-N244 WeakPolarHBondContact O-CB 3.45Å; K240-N244 VanDerWaalsContact O-CG 3.22Å; K240-N244 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-ND2 3.26Å
241W98.7Very high97.9Very high11 Ų1148.8 Ų48.84%0.04226%0.258CS..Hα-helixtrans-62.9-47.5177.9-178.982000111.6Q195 A206 T211 L237 L238 I239 L243 N244 L245Q195-W241 WeakPolarHBondContact O-CB 3.49Å; A206-W241 HydrophobicContact CB-CH2 4.07Å; A206-W241 HydrophobicContact CB-CZ2 3.49Å; A206-W241 VanDerWaalsContact CB-CZ2 3.49Å; T211-W241 HydrophobicContact CG2-CZ3 3.99Å; T211-W241 VanDerWaalsContact OG1-CZ3 3.27Å; T211-W241 WeakPolarHBondContact OG1-CZ3 3.35Å; L237-W241 VanDerWaalsContact O-CB 3.27Å; L237-W241 WeakPolarHBondContact O-CB 3.5Å; L237-W241 PolarHBondContact O-N 3.08Å; L238-W241 PolarHBondContact O-N 3.26Å; I239-W241 VanDerWaalsContact C-N 3.31Å; I239-W241 PolarHBondContact O-N 2.89Å; W241-L243 PolarHBondContact O-N 3.2Å; W241-N244 PolarHBondContact O-N 3.35Å; W241-L245 HydrophobicContact CD2-CD1 4.5Å; W241-L245 HydrophobicContact CE3-CD1 4.12Å; W241-L245 HydrophobicContact CH2-CD1 3.7Å; W241-L245 HydrophobicContact CZ2-CD1 4.09Å; W241-L245 HydrophobicContact CZ2-CD2 4.2Å; W241-L245 HydrophobicContact CZ3-CD1 3.71Å; W241-L245 WeakPolarHBondContact O-CG 2.95Å; W241-L245 PolarHBondContact O-N 3.02Å
242L98.8Very high98.1Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-58.9-43.9176.6-76.4166.6000112.4T211 L238 I239 L245 V266 L270 L273T211-L242 HydrophobicContact CG2-CD1 4.44Å; T211-L242 HydrophobicContact CG2-CD2 3.91Å; T211-L242 HydrophobicContact CG2-CG 4.37Å; L238-L242 HydrophobicContact CD1-CD1 4.01Å; L238-L242 HydrophobicContact CD1-CG 4.26Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 3.05Å; I239-L242 PolarHBondContact O-N 3.15Å; L242-L245 WeakPolarHBondContact O-CB 3.45Å; L242-L245 PolarHBondContact O-N 3.49Å; L242-V266 HydrophobicContact CB-CG1 4.3Å; L242-V266 HydrophobicContact CD2-CG1 4.11Å; L242-V266 WeakPolarHBondContact O-CG1 3.47Å; L242-L270 HydrophobicContact CB-CD1 4.38Å; L242-L270 HydrophobicContact CB-CD2 3.79Å; L242-L270 HydrophobicContact CB-CG 4.04Å; L242-L270 HydrophobicContact CD1-CD2 3.91Å; L242-L270 HydrophobicContact CD1-CG 4.14Å; L242-L273 HydrophobicContact CD1-CD1 3.91Å
243L98.5Very high98.1Very high45 Ų4548.3 Ų48.324%0.23623%0.231CC..Hα-helixtrans-67.1-36.1178.3-67.6170.8000112.3I239 K240 W241 L245 Q246 L270 L278 V279I239-L243 HydrophobicContact CG2-CD1 3.82Å; I239-L243 HydrophobicContact CG2-CG 4.38Å; I239-L243 WeakPolarHBondContact O-CG 3.28Å; I239-L243 PolarHBondContact O-N 3.5Å; K240-L243 PolarHBondContact O-N 2.93Å; W241-L243 PolarHBondContact O-N 3.2Å; L243-L245 PolarHBondContact O-N 3.15Å; L243-Q246 WeakPolarHBondContact O-CB 3.32Å; L243-Q246 PolarHBondContact O-N 2.87Å; L243-Q246 VanDerWaalsContact O-N 3.11Å; L243-L270 HydrophobicContact CD2-CD1 3.85Å; L243-L270 HydrophobicContact CD2-CD2 4.31Å; L243-L270 HydrophobicContact CG-CD2 4.36Å; L243-L278 HydrophobicContact CD1-CB 4.1Å; L243-L278 HydrophobicContact CD1-CD1 3.87Å; L243-L278 HydrophobicContact CD2-CB 3.76Å; L243-V279 HydrophobicContact CD2-CG2 4.45Å
244N98.3Very high98.1Very high106 Ų10644.6 Ų44.657%0.56722%0.221SC*.THydrogen-bonded Turntrans-71.2-6.8176-75.6-13.4000113.9K240 W241K240-N244 WeakPolarHBondContact O-CB 3.45Å; K240-N244 VanDerWaalsContact O-CG 3.22Å; K240-N244 PolarHBondContact O-N 3.48Å; K240-N244 PolarHBondContact O-ND2 3.26Å; W241-N244 PolarHBondContact O-N 3.35Å
245L98.6Very high98Very high1 Ų146.7 Ų46.71%0.00525%0.248CC..THydrogen-bonded Turntrans-80.5-6.9169.9-62.8176000112.7A208 W241 L242 L243 F250 H251 V266A208-L245 HydrophobicContact CB-CD1 3.92Å; W241-L245 HydrophobicContact CD2-CD1 4.5Å; W241-L245 HydrophobicContact CE3-CD1 4.12Å; W241-L245 HydrophobicContact CH2-CD1 3.7Å; W241-L245 HydrophobicContact CZ2-CD1 4.09Å; W241-L245 HydrophobicContact CZ2-CD2 4.2Å; W241-L245 HydrophobicContact CZ3-CD1 3.71Å; W241-L245 WeakPolarHBondContact O-CG 2.95Å; W241-L245 PolarHBondContact O-N 3.02Å; L242-L245 WeakPolarHBondContact O-CB 3.45Å; L242-L245 PolarHBondContact O-N 3.49Å; L243-L245 PolarHBondContact O-N 3.15Å; L245-F250 VanDerWaalsContact O-CA 3.32Å; L245-F250 WeakPolarHBondContact O-CA 3.16Å; L245-H251 PolarHBondContact O-CE1 2.71Å; L245-H251 PolarHBondContact O-N 3.09Å; L245-H251 VanDerWaalsContact O-N 3.1Å; L245-H251 PolarHBondContact O-ND1 2.64Å; L245-H251 VanDerWaalsContact O-ND1 3.08Å; L245-V266 HydrophobicContact CB-CG2 4.35Å; L245-V266 HydrophobicContact CD1-CG2 3.84Å
246Q98.4Very high98Very high34 Ų3450.9 Ų50.916%0.15927%0.267CS..BIsolated β-bridgetrans-86.9121177.4-167.3170.619.600111L243 G249 F250 D280L243-Q246 WeakPolarHBondContact O-CB 3.32Å; L243-Q246 PolarHBondContact O-N 2.87Å; L243-Q246 VanDerWaalsContact O-N 3.11Å; Q246-G249 WeakPolarHBondContact CA-O 3.23Å; Q246-G249 WeakPolarHBondContact CG-O 3.45Å; Q246-F250 HydrophobicContact CB-CD1 3.86Å; Q246-F250 HydrophobicContact CB-CE1 3.58Å; Q246-F250 HydrophobicContact CB-CZ 4.35Å; Q246-F250 HydrophobicContact CG-CD1 4.21Å; Q246-F250 HydrophobicContact CG-CE1 3.81Å; Q246-F250 HydrophobicContact CG-CZ 4.09Å; Q246-D280 PolarHBondContact NE2-O 2.93Å
247E95.9Very high98Very high138 Ų13851 Ų5165%0.64527%0.273SS*.SBendtrans-109.6-93.9164.3-66.5-75177.100108G249E247-G249 PolarHBondContact N-O 2.82Å; E247-G249 VanDerWaalsContact N-O 3.14Å
248E95.4Very high98Very high53 Ų5348.8 Ų48.825%0.24826%0.261CS..SBendtrans-92.7-54.5163.3-165.9-169.9151.200110.1D258 S283 A284 F287 R290E248-D258 PolarHBondContact N-OD2 3.28Å; E248-S283 WeakPolarHBondContact CA-OG 3.4Å; E248-S283 CarbonylContact O-C 3Å; E248-S283 VanDerWaalsContact O-CB 3.29Å; E248-S283 WeakPolarHBondContact O-CB 3.31Å; E248-S283 VanDerWaalsContact O-O 3.11Å; E248-S283 PolarHBondContact O-OG 3.32Å; E248-A284 PolarHBondContact O-N 2.89Å; E248-F287 HydrophobicContact CB-CB 4.38Å; E248-F287 HydrophobicContact CB-CD2 4.49Å; E248-F287 HydrophobicContact CG-CB 4.02Å; E248-F287 WeakPolarHBondContact OE1-CA 3.45Å; E248-F287 PolarHBondContact OE1-N 3.39Å; E248-R290 VanDerWaalsContact CD-NH2 3.3Å; E248-R290 IonicContact OE1-CZ 2.62Å; E248-R290 IonicContact OE1-NE 3.51Å; E248-R290 PolarHBondContact OE1-NE 2.93Å; E248-R290 IonicContact OE1-NH2 3.78Å; E248-R290 PolarHBondContact OE1-NH2 2.87Å; E248-R290 IonicContact OE2-CZ 3.81Å; E248-R290 VanDerWaalsContact OE2-CZ 3.23Å; E248-R290 IonicContact OE2-NE 2.64Å; E248-R290 PolarHBondContact OE2-NE 3.48Å; E248-R290 IonicContact OE2-NH2 3.18Å; E248-R290 PolarHBondContact OE2-NH2 3.02Å
249G97.6Very high98Very high0 Ų049 Ų490%026%0.262CS..SBendtrans-95-141166.400000110.3Q246 E247 D258 F287Q246-G249 WeakPolarHBondContact CA-O 3.23Å; Q246-G249 WeakPolarHBondContact CG-O 3.45Å; E247-G249 PolarHBondContact N-O 2.82Å; E247-G249 VanDerWaalsContact N-O 3.14Å; G249-D258 WeakPolarHBondContact CA-OD2 3.42Å; G249-D258 PolarHBondContact N-OD2 3.07Å; G249-F287 VanDerWaalsContact CA-CG 3.44Å
250F98.7Very high97.9Very high0 Ų048 Ų480%026%0.257CS..BIsolated β-bridgetrans-130.6144.9175.8-63.2-87.9000110.8L245 Q246 D258 D259 V266 C267 V279 A284L245-F250 VanDerWaalsContact O-CA 3.32Å; L245-F250 WeakPolarHBondContact O-CA 3.16Å; Q246-F250 HydrophobicContact CB-CD1 3.86Å; Q246-F250 HydrophobicContact CB-CE1 3.58Å; Q246-F250 HydrophobicContact CB-CZ 4.35Å; Q246-F250 HydrophobicContact CG-CD1 4.21Å; Q246-F250 HydrophobicContact CG-CE1 3.81Å; Q246-F250 HydrophobicContact CG-CZ 4.09Å; F250-D258 CarbonylContact O-C 3.55Å; F250-D258 VanDerWaalsContact O-CA 3.26Å; F250-D258 WeakPolarHBondContact O-CA 3.25Å; F250-D259 PolarHBondContact O-N 3.44Å; F250-V266 HydrophobicContact CB-CB 4.47Å; F250-V266 HydrophobicContact CB-CG2 4.07Å; F250-V266 HydrophobicContact CD1-CB 3.75Å; F250-V266 HydrophobicContact CD1-CG1 3.55Å; F250-V266 HydrophobicContact CD1-CG2 3.97Å; F250-V266 HydrophobicContact CE1-CB 4.08Å; F250-V266 HydrophobicContact CE1-CG1 3.54Å; F250-V266 HydrophobicContact CG-CB 4.09Å; F250-V266 HydrophobicContact CG-CG1 4.38Å; F250-V266 HydrophobicContact CG-CG2 4.2Å; F250-V266 HydrophobicContact CZ-CG1 4.39Å; F250-C267 VanDerWaalsContact CE2-SG 3.54Å; F250-V279 HydrophobicContact CE2-CG1 4.42Å; F250-V279 HydrophobicContact CZ-CG1 3.65Å; F250-V279 HydrophobicContact CZ-CG2 4.26Å; F250-A284 HydrophobicContact CE2-CB 3.92Å
251H98.5Very high98Very high10 Ų1042.2 Ų42.25%0.04623%0.233CC..  trans-111.2159.9171.250.4-96000111.8L245 R253 K256 P257 D258L245-H251 PolarHBondContact O-CE1 2.71Å; L245-H251 PolarHBondContact O-N 3.09Å; L245-H251 VanDerWaalsContact O-N 3.1Å; L245-H251 PolarHBondContact O-ND1 2.64Å; L245-H251 VanDerWaalsContact O-ND1 3.08Å; H251-R253 PolarHBondContact CD2-O 2.89Å; H251-K256 WeakPolarHBondContact CB-O 3.45Å; H251-K256 VanDerWaalsContact CG-O 3.32Å; H251-P257 VanDerWaalsContact CB-O 3.28Å; H251-P257 WeakPolarHBondContact CB-O 3.47Å; H251-D258 IonicContact CG-OD1 2.63Å; H251-D258 PolarHBondContact N-OD1 3.49Å; H251-D258 IonicContact ND1-OD1 3.57Å; H251-D258 PolarHBondContact ND1-OD1 2.92Å; H251-D258 VanDerWaalsContact ND1-OD1 3.16Å
252G98.4Very high98Very high2 Ų243.2 Ų43.22%0.02124%0.237CC..SBendtrans-77.6-23.2-172.200000114.9H207 A208 Y262H207-G252 CarbonylContact C-O 3.52Å; H207-G252 WeakPolarHBondContact CA-O 3.47Å; A208-G252 PolarHBondContact N-O 3.31Å; G252-Y262 VanDerWaalsContact CA-CE2 3.43Å
253R98.3Very high97.9Very high87 Ų8743.2 Ų43.233%0.32824%0.237SC..SBendtrans-167.4157.5-17651.5172161.81640.3109.8E205 A206 H251 G255 K256E205-R253 VanDerWaalsContact OE1-CD 3.29Å; E205-R253 WeakPolarHBondContact OE1-CD 3.35Å; E205-R253 WeakPolarHBondContact OE2-CD 3.4Å; E205-R253 IonicContact OE2-CZ 2.89Å; E205-R253 IonicContact OE2-NE 3.09Å; E205-R253 IonicContact OE2-NH1 3.48Å; E205-R253 PolarHBondContact OE2-NH1 2.74Å; A206-R253 WeakPolarHBondContact O-CB 3.39Å; H251-R253 PolarHBondContact CD2-O 2.89Å; R253-G255 PolarHBondContact O-N 3.34Å; R253-K256 HydrophobicContact CG-CB 4.31Å; R253-K256 HydrophobicContact CG-CG 3.55Å; R253-K256 WeakPolarHBondContact O-CB 3.47Å; R253-K256 PolarHBondContact O-N 2.84Å
254V97.4Very high98Very high86 Ų8641 Ų4152%0.52123%0.225SC..THydrogen-bonded Turntrans-52.7131.8-173-177.10000111.7
255G96.6Very high98Very high77 Ų7738.4 Ų38.479%0.79421%0.208SC*.THydrogen-bonded Turntrans77.514.8176.700000115.1R253R253-G255 PolarHBondContact O-N 3.34Å
256K97.8Very high98Very high106 Ų10638.3 Ų38.346%0.46121%0.207SC..  trans-107.9156172.6-63.2-61.9-67179.60110.8H251 R253H251-K256 WeakPolarHBondContact CB-O 3.45Å; H251-K256 VanDerWaalsContact CG-O 3.32Å; R253-K256 HydrophobicContact CG-CB 4.31Å; R253-K256 HydrophobicContact CG-CG 3.55Å; R253-K256 WeakPolarHBondContact O-CB 3.47Å; R253-K256 PolarHBondContact O-N 2.84Å
257P97.4Very high98Very high95 Ų9536.7 Ų36.762%0.61720%0.2SC*.  trans-72.5157178.931-36.6000111.9H251H251-P257 VanDerWaalsContact CB-O 3.28Å; H251-P257 WeakPolarHBondContact CB-O 3.47Å
258D98.2Very high98.1Very high23 Ų2330.1 Ų30.112%0.12317%0.169CC..  trans-61.6146.7174-68.6-12.4000112E248 G249 F250 H251 F287E248-D258 PolarHBondContact N-OD2 3.28Å; G249-D258 WeakPolarHBondContact CA-OD2 3.42Å; G249-D258 PolarHBondContact N-OD2 3.07Å; F250-D258 CarbonylContact O-C 3.55Å; F250-D258 VanDerWaalsContact O-CA 3.26Å; F250-D258 WeakPolarHBondContact O-CA 3.25Å; H251-D258 IonicContact CG-OD1 2.63Å; H251-D258 PolarHBondContact N-OD1 3.49Å; H251-D258 IonicContact ND1-OD1 3.57Å; H251-D258 PolarHBondContact ND1-OD1 2.92Å; H251-D258 VanDerWaalsContact ND1-OD1 3.16Å; D258-F287 HydrophobicContact CB-CD2 4.17Å; D258-F287 HydrophobicContact CB-CE1 4.15Å; D258-F287 HydrophobicContact CB-CE2 3.48Å; D258-F287 VanDerWaalsContact CB-CE2 3.48Å; D258-F287 HydrophobicContact CB-CZ 3.47Å; D258-F287 VanDerWaalsContact CB-CZ 3.47Å
259D98.5Very high98.3Very high4 Ų427.6 Ų27.62%0.02116%0.157CC..  trans-147.3131.8-180161.5-3.9000108.9F250 C261 Y262 K301 H313F250-D259 PolarHBondContact O-N 3.44Å; D259-C261 PolarHBondContact O-N 2.78Å; D259-C261 VanDerWaalsContact O-N 3.12Å; D259-C261 PolarHBondContact OD1-N 2.86Å; D259-C261 PolarHBondContact OD1-SG 3.21Å; D259-C261 PolarHBondContact OD2-SG 3.42Å; D259-Y262 HydrophobicContact CB-CD2 3.6Å; D259-Y262 HydrophobicContact CB-CE2 3.66Å; D259-Y262 PolarHBondContact O-N 2.77Å; D259-K301 WeakPolarHBondContact CA-O 3.41Å; D259-K301 HydrophobicContact CB-CG 3.94Å; D259-K301 WeakPolarHBondContact OD1-CG 3.48Å; D259-K301 WeakPolarHBondContact OD2-CE 3.42Å; D259-K301 WeakPolarHBondContact OD2-CG 3.35Å; D259-K301 IonicContact OD2-NZ 3.8Å; D259-K301 PolarHBondContact OD2-NZ 3.06Å; D259-H313 IonicContact OD1-CD2 3.06Å; D259-H313 PolarHBondContact OD1-CD2 3.27Å; D259-H313 IonicContact OD1-NE2 2.68Å; D259-H313 PolarHBondContact OD1-NE2 2.81Å; D259-H313 IonicContact OD2-NE2 2.94Å
260T98.5Very high98.3Very high0 Ų027.6 Ų27.60%016%0.157CC..THydrogen-bonded Turntrans-58.3-28.7-171.953.10000114Y262 T263 F287 C291 T300 K301 H313 S317T260-Y262 VanDerWaalsContact C-N 3.26Å; T260-Y262 PolarHBondContact O-N 3.47Å; T260-T263 WeakPolarHBondContact O-CB 3.38Å; T260-T263 PolarHBondContact O-N 3.35Å; T260-T263 VanDerWaalsContact O-N 3.12Å; T260-T263 PolarHBondContact O-OG1 3.35Å; T260-F287 HydrophobicContact CG2-CD1 4.13Å; T260-F287 HydrophobicContact CG2-CE1 3.58Å; T260-F287 HydrophobicContact CG2-CZ 4.39Å; T260-C291 HydrophobicContact CG2-CB 3.44Å; T260-C291 VanDerWaalsContact CG2-CB 3.44Å; T260-C291 WeakPolarHBondContact CG2-SG 3.31Å; T260-T300 WeakPolarHBondContact CB-O 3.29Å; T260-T300 WeakPolarHBondContact CG2-O 3.49Å; T260-T300 PolarHBondContact OG1-O 2.64Å; T260-K301 PolarHBondContact N-O 2.99Å; T260-K301 PolarHBondContact OG1-O 2.74Å; T260-H313 PolarHBondContact OG1-CD2 3.12Å; T260-S317 WeakPolarHBondContact CB-OG 3.49Å
261C98.7Very high98.3Very high8 Ų829.2 Ų29.25%0.05416%0.164CC..THydrogen-bonded Turntrans-67.3-27.4179.172.20000112.7D259 T263 F264 W265 L312 L316D259-C261 PolarHBondContact O-N 2.78Å; D259-C261 VanDerWaalsContact O-N 3.12Å; D259-C261 PolarHBondContact OD1-N 2.86Å; D259-C261 PolarHBondContact OD1-SG 3.21Å; D259-C261 PolarHBondContact OD2-SG 3.42Å; C261-T263 PolarHBondContact O-N 3.09Å; C261-F264 PolarHBondContact O-N 3.32Å; C261-W265 PolarHBondContact O-N 3.46Å; C261-L312 HydrophobicContact CB-CD2 3.76Å; C261-L316 HydrophobicContact CB-CB 4.14Å; C261-L316 HydrophobicContact CB-CD1 3.86Å
262Y98.8Very high98.3Very high32 Ų3229.3 Ų29.313%0.12517%0.165CC..Hα-helixtrans-70.4-13.7176.2-61.3-57.9000113.1H207 A208 G252 D259 T260 F264 W265 V266H207-Y262 AromaticContact CE1-CE1 3.68Å; H207-Y262 AromaticContact CE1-CZ 3.81Å; H207-Y262 PolarHBondContact CE1-OH 3.23Å; H207-Y262 PolarHBondContact NE2-OH 2.89Å; A208-Y262 HydrophobicContact CB-CD1 3.67Å; A208-Y262 HydrophobicContact CB-CE1 4.09Å; G252-Y262 VanDerWaalsContact CA-CE2 3.43Å; D259-Y262 HydrophobicContact CB-CD2 3.6Å; D259-Y262 HydrophobicContact CB-CE2 3.66Å; D259-Y262 PolarHBondContact O-N 2.77Å; T260-Y262 VanDerWaalsContact C-N 3.26Å; T260-Y262 PolarHBondContact O-N 3.47Å; Y262-F264 PolarHBondContact O-N 3.01Å; Y262-W265 HydrophobicContact CD1-CB 4.15Å; Y262-W265 AromaticContact CD1-CD1 3.5Å; Y262-W265 HydrophobicContact CD1-CG 4.19Å; Y262-W265 AromaticContact CE1-CD1 3.91Å; Y262-W265 PolarHBondContact O-N 3.11Å; Y262-V266 WeakPolarHBondContact O-CB 3.49Å; Y262-V266 WeakPolarHBondContact O-CG2 3.39Å; Y262-V266 PolarHBondContact O-N 3.38Å
263T98.7Very high98.3Very high0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-53.1-43.7165.3-45.10000110.2T260 C261 C267 V288 G320 L321T260-T263 WeakPolarHBondContact O-CB 3.38Å; T260-T263 PolarHBondContact O-N 3.35Å; T260-T263 VanDerWaalsContact O-N 3.12Å; T260-T263 PolarHBondContact O-OG1 3.35Å; C261-T263 PolarHBondContact O-N 3.09Å; T263-C267 WeakPolarHBondContact O-CB 3.3Å; T263-C267 PolarHBondContact O-N 3.29Å; T263-C267 PolarHBondContact O-SG 3.32Å; T263-V288 HydrophobicContact CG2-CG2 4.38Å; T263-G320 WeakPolarHBondContact O-CA 3.24Å; T263-L321 HydrophobicContact CG2-CD2 3.91Å; T263-L321 HydrophobicContact CG2-CG 4.11Å
264F98.8Very high98.2Very high0 Ų030.8 Ų30.80%018%0.179CC..Hα-helixtrans-73.8-56.6173.7177.7-102.8000112.1Y212 C261 Y262 V266 C267 A268 L316 S319 G320 V361 N366Y212-F264 HydrophobicContact CD1-CE1 4.39Å; Y212-F264 AromaticContact CD2-CE1 3.94Å; Y212-F264 HydrophobicContact CD2-CE1 3.94Å; Y212-F264 HydrophobicContact CD2-CZ 4.23Å; Y212-F264 HydrophobicContact CE1-CE1 4.01Å; Y212-F264 AromaticContact CE2-CE1 3.46Å; Y212-F264 HydrophobicContact CE2-CE1 3.46Å; Y212-F264 VanDerWaalsContact CE2-CE1 3.46Å; Y212-F264 AromaticContact CE2-CZ 3.42Å; Y212-F264 HydrophobicContact CE2-CZ 3.42Å; Y212-F264 VanDerWaalsContact CE2-CZ 3.42Å; Y212-F264 HydrophobicContact CG-CE1 4.36Å; Y212-F264 AromaticContact CZ-CE1 3.51Å; Y212-F264 AromaticContact CZ-CZ 3.61Å; C261-F264 PolarHBondContact O-N 3.32Å; Y262-F264 PolarHBondContact O-N 3.01Å; F264-V266 PolarHBondContact O-N 2.88Å; F264-V266 VanDerWaalsContact O-N 3.13Å; F264-C267 PolarHBondContact O-N 3.19Å; F264-A268 HydrophobicContact CD2-CB 3.93Å; F264-A268 HydrophobicContact CE1-CB 4.23Å; F264-A268 HydrophobicContact CE2-CB 3.53Å; F264-A268 HydrophobicContact CG-CB 4.42Å; F264-A268 HydrophobicContact CZ-CB 3.67Å; F264-A268 WeakPolarHBondContact O-CB 3.39Å; F264-A268 PolarHBondContact O-N 3.41Å; F264-L316 HydrophobicContact CB-CB 3.88Å; F264-L316 HydrophobicContact CB-CD2 3.98Å; F264-L316 HydrophobicContact CB-CG 4.43Å; F264-L316 VanDerWaalsContact CB-O 3.28Å; F264-L316 WeakPolarHBondContact CB-O 3.38Å; F264-L316 HydrophobicContact CD1-CD2 3.71Å; F264-L316 HydrophobicContact CE1-CD2 4.43Å; F264-L316 HydrophobicContact CG-CD2 3.83Å; F264-S319 WeakPolarHBondContact CD2-OG 3.27Å; F264-S319 VanDerWaalsContact CE2-OG 3.26Å; F264-S319 WeakPolarHBondContact CE2-OG 3.33Å; F264-G320 VanDerWaalsContact CA-CA 3.46Å; F264-V361 HydrophobicContact CE2-CG1 4.35Å; F264-N366 HydrophobicContact CE1-CB 4.03Å; F264-N366 WeakPolarHBondContact CE1-ND2 3.4Å; F264-N366 HydrophobicContact CE2-CB 3.99Å; F264-N366 VanDerWaalsContact CE2-CG 3.42Å; F264-N366 WeakPolarHBondContact CE2-OD1 3.47Å; F264-N366 HydrophobicContact CZ-CB 3.39Å; F264-N366 WeakPolarHBondContact CZ-ND2 3.41Å; F264-N366 WeakPolarHBondContact CZ-OD1 3.39Å
265W98.7Very high98.2Very high50 Ų5027.5 Ų27.519%0.18916%0.16CC..Hα-helixtrans-56.2-38.8-170.8-56.1122.6000112.7A208 Y212 C261 Y262 S269 L316A208-W265 HydrophobicContact CB-CB 4.25Å; Y212-W265 AromaticContact CD1-CE3 3.36Å; Y212-W265 HydrophobicContact CD1-CE3 3.36Å; Y212-W265 AromaticContact CD1-CZ3 3.29Å; Y212-W265 HydrophobicContact CD1-CZ3 3.29Å; Y212-W265 HydrophobicContact CD2-CE3 4.29Å; Y212-W265 HydrophobicContact CE1-CE3 4.02Å; Y212-W265 AromaticContact CE1-CZ3 3.56Å; Y212-W265 HydrophobicContact CE1-CZ3 3.56Å; Y212-W265 AromaticContact CG-CE3 3.53Å; Y212-W265 HydrophobicContact CG-CE3 3.53Å; Y212-W265 AromaticContact CG-CZ3 3.96Å; Y212-W265 HydrophobicContact CG-CZ3 3.96Å; C261-W265 PolarHBondContact O-N 3.46Å; Y262-W265 HydrophobicContact CD1-CB 4.15Å; Y262-W265 AromaticContact CD1-CD1 3.5Å; Y262-W265 HydrophobicContact CD1-CG 4.19Å; Y262-W265 AromaticContact CE1-CD1 3.91Å; Y262-W265 PolarHBondContact O-N 3.11Å; W265-S269 WeakPolarHBondContact O-CB 3.12Å; W265-S269 PolarHBondContact O-OG 3.37Å; W265-L316 HydrophobicContact CH2-CD1 4.28Å; W265-L316 HydrophobicContact CZ2-CD1 3.46Å; W265-L316 VanDerWaalsContact CZ2-CD1 3.46Å
266V98.8Very high98.1Very high0 Ų025.6 Ų25.60%013%0.13CC..Hα-helixtrans-79.9-51.8177.8-179.30000111.6A208 L242 L245 F250 Y262 F264 A268 S269 L270A208-V266 HydrophobicContact CB-CG2 3.91Å; L242-V266 HydrophobicContact CB-CG1 4.3Å; L242-V266 HydrophobicContact CD2-CG1 4.11Å; L242-V266 WeakPolarHBondContact O-CG1 3.47Å; L245-V266 HydrophobicContact CB-CG2 4.35Å; L245-V266 HydrophobicContact CD1-CG2 3.84Å; F250-V266 HydrophobicContact CB-CB 4.47Å; F250-V266 HydrophobicContact CB-CG2 4.07Å; F250-V266 HydrophobicContact CD1-CB 3.75Å; F250-V266 HydrophobicContact CD1-CG1 3.55Å; F250-V266 HydrophobicContact CD1-CG2 3.97Å; F250-V266 HydrophobicContact CE1-CB 4.08Å; F250-V266 HydrophobicContact CE1-CG1 3.54Å; F250-V266 HydrophobicContact CG-CB 4.09Å; F250-V266 HydrophobicContact CG-CG1 4.38Å; F250-V266 HydrophobicContact CG-CG2 4.2Å; F250-V266 HydrophobicContact CZ-CG1 4.39Å; Y262-V266 WeakPolarHBondContact O-CB 3.49Å; Y262-V266 WeakPolarHBondContact O-CG2 3.39Å; Y262-V266 PolarHBondContact O-N 3.38Å; F264-V266 PolarHBondContact O-N 2.88Å; F264-V266 VanDerWaalsContact O-N 3.13Å; V266-A268 PolarHBondContact O-N 3.04Å; V266-S269 WeakPolarHBondContact O-CB 3.22Å; V266-S269 PolarHBondContact O-N 3.03Å; V266-L270 HydrophobicContact CG1-CD1 3.9Å; V266-L270 HydrophobicContact CG1-CG 4.49Å; V266-L270 PolarHBondContact O-N 2.89Å
267C98.6Very high98Very high0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-67.2-35.4-174.6-590000112.6F250 T263 F264 L270 K271 C323 L324F250-C267 VanDerWaalsContact CE2-SG 3.54Å; T263-C267 WeakPolarHBondContact O-CB 3.3Å; T263-C267 PolarHBondContact O-N 3.29Å; T263-C267 PolarHBondContact O-SG 3.32Å; F264-C267 PolarHBondContact O-N 3.19Å; C267-L270 PolarHBondContact O-N 3.14Å; C267-K271 VanDerWaalsContact O-CB 3.28Å; C267-K271 WeakPolarHBondContact O-CB 3.27Å; C267-K271 PolarHBondContact O-N 3.16Å; C267-C323 HydrophobicContact CB-CB 3.98Å; C267-L324 HydrophobicContact CB-CD2 3.93Å; C267-L324 HydrophobicContact CB-CG 4.18Å
268A98.6Very high97.9Very high0 Ų026.7 Ų26.70%013%0.13CC..Hα-helixtrans-66.6-42.217500000111.4Y212 F264 V266 L270 K271 I272 P363Y212-A268 HydrophobicContact CD2-CB 3.81Å; Y212-A268 HydrophobicContact CE2-CB 3.76Å; F264-A268 HydrophobicContact CD2-CB 3.93Å; F264-A268 HydrophobicContact CE1-CB 4.23Å; F264-A268 HydrophobicContact CE2-CB 3.53Å; F264-A268 HydrophobicContact CG-CB 4.42Å; F264-A268 HydrophobicContact CZ-CB 3.67Å; F264-A268 WeakPolarHBondContact O-CB 3.39Å; F264-A268 PolarHBondContact O-N 3.41Å; V266-A268 PolarHBondContact O-N 3.04Å; A268-L270 PolarHBondContact O-N 3.3Å; A268-K271 PolarHBondContact O-N 2.95Å; A268-K271 VanDerWaalsContact O-N 3.15Å; A268-I272 VanDerWaalsContact O-CG1 3.32Å; A268-I272 WeakPolarHBondContact O-CG1 3.36Å; A268-I272 PolarHBondContact O-N 3.09Å; A268-P363 HydrophobicContact CB-CB 3.93Å
269S98.8Very high97.9Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-59.1-47.7173.8-59.40000111.3Y212 W265 V266 K271 I272 L273Y212-S269 VanDerWaalsContact CA-OG 3.23Å; Y212-S269 WeakPolarHBondContact CA-OG 3.21Å; Y212-S269 PolarHBondContact N-OG 3.17Å; W265-S269 WeakPolarHBondContact O-CB 3.12Å; W265-S269 PolarHBondContact O-OG 3.37Å; V266-S269 WeakPolarHBondContact O-CB 3.22Å; V266-S269 PolarHBondContact O-N 3.03Å; S269-K271 VanDerWaalsContact C-N 3.29Å; S269-K271 PolarHBondContact O-N 3.35Å; S269-I272 PolarHBondContact O-N 3.38Å; S269-L273 VanDerWaalsContact O-CG 3.28Å; S269-L273 WeakPolarHBondContact O-CG 3.48Å; S269-L273 PolarHBondContact O-N 3.34Å; S269-L273 VanDerWaalsContact O-N 3.1Å
270L98.5Very high97.8Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-64.5-33.8176-71.3170.7000112I239 L242 L243 V266 C267 A268 L273 N274 C275 H276 V279I239-L270 HydrophobicContact CG2-CD2 4.38Å; L242-L270 HydrophobicContact CB-CD1 4.38Å; L242-L270 HydrophobicContact CB-CD2 3.79Å; L242-L270 HydrophobicContact CB-CG 4.04Å; L242-L270 HydrophobicContact CD1-CD2 3.91Å; L242-L270 HydrophobicContact CD1-CG 4.14Å; L243-L270 HydrophobicContact CD2-CD1 3.85Å; L243-L270 HydrophobicContact CD2-CD2 4.31Å; L243-L270 HydrophobicContact CG-CD2 4.36Å; V266-L270 HydrophobicContact CG1-CD1 3.9Å; V266-L270 HydrophobicContact CG1-CG 4.49Å; V266-L270 PolarHBondContact O-N 2.89Å; C267-L270 PolarHBondContact O-N 3.14Å; A268-L270 PolarHBondContact O-N 3.3Å; L270-L273 CarbonylContact O-C 3.37Å; L270-L273 PolarHBondContact O-N 3.48Å; L270-N274 PolarHBondContact O-N 2.88Å; L270-C275 HydrophobicContact CD2-CB 3.99Å; L270-C275 CarbonylContact O-C 3.6Å; L270-C275 WeakPolarHBondContact O-CA 3.49Å; L270-C275 PolarHBondContact O-N 3.33Å; L270-H276 HydrophobicContact CB-CB 4.41Å; L270-H276 PolarHBondContact O-N 3Å; L270-V279 HydrophobicContact CD1-CG2 3.45Å; L270-V279 VanDerWaalsContact CD1-CG2 3.45Å
271K97.7Very high97.7Very high34 Ų3431.9 Ų31.915%0.14816%0.157CC..Hα-helixtrans-66.2-47.2176.7-171175.1-178.4-178.60111.6C267 A268 S269 L273 N274 H276 C323 V361 P363C267-K271 VanDerWaalsContact O-CB 3.28Å; C267-K271 WeakPolarHBondContact O-CB 3.27Å; C267-K271 PolarHBondContact O-N 3.16Å; A268-K271 PolarHBondContact O-N 2.95Å; A268-K271 VanDerWaalsContact O-N 3.15Å; S269-K271 VanDerWaalsContact C-N 3.29Å; S269-K271 PolarHBondContact O-N 3.35Å; K271-L273 PolarHBondContact O-N 2.97Å; K271-N274 WeakPolarHBondContact O-CA 3.48Å; K271-N274 PolarHBondContact O-N 2.9Å; K271-H276 HydrophobicContact CB-CB 4.08Å; K271-C323 HydrophobicContact CB-CB 4.4Å; K271-C323 HydrophobicContact CD-CB 3.87Å; K271-V361 PolarHBondContact NZ-O 3.03Å; K271-P363 HydrophobicContact CB-CB 4.4Å; K271-P363 HydrophobicContact CB-CG 4.27Å; K271-P363 HydrophobicContact CD-CB 4.29Å; K271-P363 HydrophobicContact CD-CG 3.94Å; K271-P363 HydrophobicContact CG-CG 4.03Å
272I98.2Very high97.4Very high11 Ų1133.9 Ų33.96%0.05617%0.167CC..Hα-helixtrans-58.3-38.1175.2-64.2162.9000110.7V215 A216 L224 A268 S269 N274 P363 E364V215-I272 HydrophobicContact CG1-CB 3.87Å; V215-I272 HydrophobicContact CG1-CD1 4.15Å; V215-I272 HydrophobicContact CG1-CG2 3.59Å; A216-I272 HydrophobicContact CB-CD1 3.94Å; L224-I272 HydrophobicContact CD2-CG2 3.87Å; A268-I272 VanDerWaalsContact O-CG1 3.32Å; A268-I272 WeakPolarHBondContact O-CG1 3.36Å; A268-I272 PolarHBondContact O-N 3.09Å; S269-I272 PolarHBondContact O-N 3.38Å; I272-N274 PolarHBondContact O-N 3Å; I272-P363 HydrophobicContact CD1-CB 4.21Å; I272-P363 HydrophobicContact CD1-CG 4.49Å; I272-P363 HydrophobicContact CG1-CB 3.84Å; I272-P363 HydrophobicContact CG1-CG 3.66Å; I272-E364 HydrophobicContact CD1-CG 4.12Å; I272-E364 HydrophobicContact CG1-CG 4.11Å
273L98Very high97.3Very high3 Ų332.9 Ų32.92%0.01617%0.165CC..THydrogen-bonded Turntrans-78.4-0.8177.5-64.4170.2000114.3V215 L224 I228 R235 L238 I239 L242 S269 L270 K271 C275V215-L273 HydrophobicContact CG1-CD2 4.35Å; V215-L273 HydrophobicContact CG1-CG 4.23Å; L224-L273 HydrophobicContact CD1-CD2 4.4Å; L224-L273 HydrophobicContact CD2-CD2 4.5Å; I228-L273 HydrophobicContact CD1-CD2 4.07Å; R235-L273 HydrophobicContact CG-CD2 4.48Å; R235-L273 PolarHBondContact NH2-O 3.43Å; R235-L273 VanDerWaalsContact NH2-O 3.09Å; L238-L273 HydrophobicContact CD2-CD1 3.74Å; L238-L273 HydrophobicContact CD2-CD2 4.4Å; L238-L273 HydrophobicContact CG-CD1 4.06Å; I239-L273 HydrophobicContact CG1-CD1 4.12Å; L242-L273 HydrophobicContact CD1-CD1 3.91Å; S269-L273 VanDerWaalsContact O-CG 3.28Å; S269-L273 WeakPolarHBondContact O-CG 3.48Å; S269-L273 PolarHBondContact O-N 3.34Å; S269-L273 VanDerWaalsContact O-N 3.1Å; L270-L273 CarbonylContact O-C 3.37Å; L270-L273 PolarHBondContact O-N 3.48Å; K271-L273 PolarHBondContact O-N 2.97Å; L273-C275 VanDerWaalsContact C-N 3.32Å; L273-C275 PolarHBondContact O-SG 3.36Å
274N96.6Very high97.2Very high118 Ų11832.9 Ų32.963%0.63117%0.165SC*.THydrogen-bonded Turntrans62.429.2-173.4-62.9-56000115.1L270 K271 I272 H277L270-N274 PolarHBondContact O-N 2.88Å; K271-N274 WeakPolarHBondContact O-CA 3.48Å; K271-N274 PolarHBondContact O-N 2.9Å; I272-N274 PolarHBondContact O-N 3Å; N274-H277 PolarHBondContact O-CE1 3.44Å; N274-H277 VanDerWaalsContact O-CE1 3.23Å; N274-H277 PolarHBondContact O-ND1 3.15Å
275C97Very high97.1Very high17 Ų1732.9 Ų32.912%0.11517%0.165CC..  trans-118.88.5-176.6-63.80000114.6I239 L270 L273 H277 L278I239-C275 VanDerWaalsContact CD1-SG 3.52Å; I239-C275 HydrophobicContact CG2-CB 4.26Å; L270-C275 HydrophobicContact CD2-CB 3.99Å; L270-C275 CarbonylContact O-C 3.6Å; L270-C275 WeakPolarHBondContact O-CA 3.49Å; L270-C275 PolarHBondContact O-N 3.33Å; L273-C275 VanDerWaalsContact C-N 3.32Å; L273-C275 PolarHBondContact O-SG 3.36Å; C275-H277 PolarHBondContact O-N 3.45Å; C275-L278 HydrophobicContact CB-CD1 4.14Å; C275-L278 WeakPolarHBondContact O-CB 3.44Å; C275-L278 PolarHBondContact O-N 3.5Å; C275-L278 VanDerWaalsContact O-N 3.12Å
276H95.5Very high97Very high37 Ų3733.1 Ų33.117%0.17117%0.165CC..G310 helixtrans-61.4-24.5-179.563.4-81.5000114L270 K271 L278 V279 L324L270-H276 HydrophobicContact CB-CB 4.41Å; L270-H276 PolarHBondContact O-N 3Å; K271-H276 HydrophobicContact CB-CB 4.08Å; H276-L278 PolarHBondContact O-N 3.36Å; H276-V279 WeakPolarHBondContact O-CB 3.44Å; H276-V279 PolarHBondContact O-N 2.84Å; H276-L324 HydrophobicContact CB-CD2 4.34Å
277H95Very high96.9Very high132 Ų13233.3 Ų33.361%0.61117%0.166SC*.G310 helixtrans-66-13.217663.6-89.5000113.9N274 C275 V279N274-H277 PolarHBondContact O-CE1 3.44Å; N274-H277 VanDerWaalsContact O-CE1 3.23Å; N274-H277 PolarHBondContact O-ND1 3.15Å; C275-H277 PolarHBondContact O-N 3.45Å; H277-V279 VanDerWaalsContact C-N 3.35Å
278L96.8Very high96.9Very high91 Ų9133.3 Ų33.348%0.47617%0.166SC..G310 helixtrans-84.4-9.1177.6-60176.9000113.3I239 L243 C275 H276I239-L278 HydrophobicContact CG2-CD1 4.4Å; L243-L278 HydrophobicContact CD1-CB 4.1Å; L243-L278 HydrophobicContact CD1-CD1 3.87Å; L243-L278 HydrophobicContact CD2-CB 3.76Å; C275-L278 HydrophobicContact CB-CD1 4.14Å; C275-L278 WeakPolarHBondContact O-CB 3.44Å; C275-L278 PolarHBondContact O-N 3.5Å; C275-L278 VanDerWaalsContact O-N 3.12Å; H276-L278 PolarHBondContact O-N 3.36Å
279V97.3Very high96.8Very high15 Ų1534 Ų349%0.09117%0.171CC..SBendtrans-75.5138.6-179.6168.50000110.9L243 F250 L270 H276 H277 K281 L324L243-V279 HydrophobicContact CD2-CG2 4.45Å; F250-V279 HydrophobicContact CE2-CG1 4.42Å; F250-V279 HydrophobicContact CZ-CG1 3.65Å; F250-V279 HydrophobicContact CZ-CG2 4.26Å; L270-V279 HydrophobicContact CD1-CG2 3.45Å; L270-V279 VanDerWaalsContact CD1-CG2 3.45Å; H276-V279 WeakPolarHBondContact O-CB 3.44Å; H276-V279 PolarHBondContact O-N 2.84Å; H277-V279 VanDerWaalsContact C-N 3.35Å; V279-K281 VanDerWaalsContact C-N 3.26Å; V279-K281 PolarHBondContact O-N 3.37Å; V279-L324 HydrophobicContact CB-CD2 3.84Å; V279-L324 HydrophobicContact CG1-CD1 3.81Å; V279-L324 HydrophobicContact CG1-CD2 3.85Å; V279-L324 HydrophobicContact CG2-CD2 4.07Å
280D96.8Very high96.7Very high76 Ų7639.3 Ų39.341%0.40619%0.191SC..  trans-7286.6164-176.1-14000109.5Q246 N282 S283 A284 R286Q246-D280 PolarHBondContact NE2-O 2.93Å; D280-N282 PolarHBondContact O-N 3.06Å; D280-N282 PolarHBondContact OD1-N 3.27Å; D280-S283 PolarHBondContact O-N 2.94Å; D280-S283 PolarHBondContact OD1-N 3.07Å; D280-A284 PolarHBondContact O-N 3.2Å; D280-A284 VanDerWaalsContact O-N 3.16Å; D280-R286 IonicContact OD2-NH2 3.19Å
281K95.1Very high96.6Very high46 Ų4639.4 Ų39.420%0.219%0.191CC..Hα-helixtrans-55.6-38.3178.8178.6-180179.3173.20112V279 A284 V285 L324V279-K281 VanDerWaalsContact C-N 3.26Å; V279-K281 PolarHBondContact O-N 3.37Å; K281-A284 PolarHBondContact O-N 3.12Å; K281-V285 HydrophobicContact CG-CG2 4.36Å; K281-V285 VanDerWaalsContact O-CG2 3.27Å; K281-V285 WeakPolarHBondContact O-CG2 3.21Å; K281-V285 PolarHBondContact O-N 3.19Å; K281-L324 HydrophobicContact CB-CD1 4.26Å; K281-L324 HydrophobicContact CD-CB 4.15Å; K281-L324 HydrophobicContact CG-CB 4.09Å; K281-L324 HydrophobicContact CG-CD1 4.17Å; K281-L324 PolarHBondContact NZ-O 3.24Å; K281-L324 VanDerWaalsContact NZ-O 3.16Å
282N93.9Very high96.6Very high49 Ų4939 Ų3926%0.26219%0.189SC..Hα-helixtrans-69.9-37-175.8-73.5-38.8000111.4D280 R286 Q350D280-N282 PolarHBondContact O-N 3.06Å; D280-N282 PolarHBondContact OD1-N 3.27Å; N282-R286 WeakPolarHBondContact O-CG 3.5Å; N282-R286 PolarHBondContact O-N 2.98Å; N282-Q350 PolarHBondContact OD1-NE2 3.18Å; N282-Q350 VanDerWaalsContact OD1-NE2 3.15Å
283S95.3Very high96.6Very high12 Ų1240.8 Ų40.88%0.08420%0.198CC..Hα-helixtrans-64.2-46.9172.8-136.40000111.8E248 D280 V285 R286 F287E248-S283 WeakPolarHBondContact CA-OG 3.4Å; E248-S283 CarbonylContact O-C 3Å; E248-S283 VanDerWaalsContact O-CB 3.29Å; E248-S283 WeakPolarHBondContact O-CB 3.31Å; E248-S283 VanDerWaalsContact O-O 3.11Å; E248-S283 PolarHBondContact O-OG 3.32Å; D280-S283 PolarHBondContact O-N 2.94Å; D280-S283 PolarHBondContact OD1-N 3.07Å; S283-V285 VanDerWaalsContact C-N 3.33Å; S283-V285 PolarHBondContact O-N 3.05Å; S283-R286 WeakPolarHBondContact O-CB 3.35Å; S283-R286 PolarHBondContact O-N 3.13Å; S283-R286 PolarHBondContact OG-NH2 3.37Å; S283-R286 VanDerWaalsContact OG-NH2 3.14Å; S283-F287 PolarHBondContact O-N 3.27Å
284A97.1Very high96.4Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-58.5-43.9177.900000112.1E248 F250 D280 K281 F287 V288 L321 L324E248-A284 PolarHBondContact O-N 2.89Å; F250-A284 HydrophobicContact CE2-CB 3.92Å; D280-A284 PolarHBondContact O-N 3.2Å; D280-A284 VanDerWaalsContact O-N 3.16Å; K281-A284 PolarHBondContact O-N 3.12Å; A284-F287 PolarHBondContact O-N 3.19Å; A284-V288 WeakPolarHBondContact O-CG2 3.07Å; A284-V288 PolarHBondContact O-N 3.39Å; A284-L321 HydrophobicContact CB-CD2 4.36Å; A284-L324 HydrophobicContact CB-CD1 4.23Å
285V96.5Very high96.4Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-64.7-39.3175.9177.50000111.5K281 S283 T289 L321 Y346 L349 Q350 L353K281-V285 HydrophobicContact CG-CG2 4.36Å; K281-V285 VanDerWaalsContact O-CG2 3.27Å; K281-V285 WeakPolarHBondContact O-CG2 3.21Å; K281-V285 PolarHBondContact O-N 3.19Å; S283-V285 VanDerWaalsContact C-N 3.33Å; S283-V285 PolarHBondContact O-N 3.05Å; V285-T289 VanDerWaalsContact O-CB 3.31Å; V285-T289 WeakPolarHBondContact O-CB 3.28Å; V285-T289 PolarHBondContact O-N 3.28Å; V285-T289 PolarHBondContact O-OG1 3.49Å; V285-L321 HydrophobicContact CG2-CD1 4.49Å; V285-L321 HydrophobicContact CG2-CD2 3.75Å; V285-Y346 HydrophobicContact CB-CE2 4.1Å; V285-Y346 HydrophobicContact CG1-CD2 3.81Å; V285-Y346 HydrophobicContact CG1-CE2 3.62Å; V285-L349 HydrophobicContact CG1-CB 4.16Å; V285-Q350 HydrophobicContact CG1-CG 4.3Å; V285-L353 HydrophobicContact CG2-CD1 3.65Å
286R96.5Very high96.3Very high54 Ų5446.9 Ų46.920%0.20423%0.234CC..Hα-helixtrans-62-47.5175-77.8-174.1-61.2-960.2111.3D280 N282 S283 V288 T289 R290 D340 Y346D280-R286 IonicContact OD2-NH2 3.19Å; N282-R286 WeakPolarHBondContact O-CG 3.5Å; N282-R286 PolarHBondContact O-N 2.98Å; S283-R286 WeakPolarHBondContact O-CB 3.35Å; S283-R286 PolarHBondContact O-N 3.13Å; S283-R286 PolarHBondContact OG-NH2 3.37Å; S283-R286 VanDerWaalsContact OG-NH2 3.14Å; R286-V288 PolarHBondContact O-N 3.29Å; R286-T289 VanDerWaalsContact O-CB 3.28Å; R286-T289 WeakPolarHBondContact O-CB 3.27Å; R286-T289 PolarHBondContact O-N 2.92Å; R286-R290 WeakPolarHBondContact O-CG 3.42Å; R286-R290 PolarHBondContact O-N 2.68Å; R286-R290 VanDerWaalsContact O-N 3.09Å; R286-D340 WeakPolarHBondContact CD-OD2 3.46Å; R286-D340 HydrophobicContact CG-CB 4.38Å; R286-Y346 HydrophobicContact CB-CE2 4.44Å; R286-Y346 HydrophobicContact CG-CD2 4.08Å; R286-Y346 HydrophobicContact CG-CE2 3.55Å
287F97.5Very high96.3Very high4 Ų445.2 Ų45.22%0.01823%0.226CC..Hα-helixtrans-59.1-51178177.8-100.1000111.7E248 G249 D258 T260 S283 A284 T289 R290 C291E248-F287 HydrophobicContact CB-CB 4.38Å; E248-F287 HydrophobicContact CB-CD2 4.49Å; E248-F287 HydrophobicContact CG-CB 4.02Å; E248-F287 WeakPolarHBondContact OE1-CA 3.45Å; E248-F287 PolarHBondContact OE1-N 3.39Å; G249-F287 VanDerWaalsContact CA-CG 3.44Å; D258-F287 HydrophobicContact CB-CD2 4.17Å; D258-F287 HydrophobicContact CB-CE1 4.15Å; D258-F287 HydrophobicContact CB-CE2 3.48Å; D258-F287 VanDerWaalsContact CB-CE2 3.48Å; D258-F287 HydrophobicContact CB-CZ 3.47Å; D258-F287 VanDerWaalsContact CB-CZ 3.47Å; T260-F287 HydrophobicContact CG2-CD1 4.13Å; T260-F287 HydrophobicContact CG2-CE1 3.58Å; T260-F287 HydrophobicContact CG2-CZ 4.39Å; S283-F287 PolarHBondContact O-N 3.27Å; A284-F287 PolarHBondContact O-N 3.19Å; F287-T289 VanDerWaalsContact C-N 3.26Å; F287-T289 PolarHBondContact O-N 3.28Å; F287-R290 PolarHBondContact O-N 3.05Å; F287-C291 PolarHBondContact O-N 3.11Å; F287-C291 PolarHBondContact O-SG 2.97Å
288V97.8Very high96.5Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-59.5-37.8177.41720000111.4T263 A284 R286 R290 C291 F299 L321 L349T263-V288 HydrophobicContact CG2-CG2 4.38Å; A284-V288 WeakPolarHBondContact O-CG2 3.07Å; A284-V288 PolarHBondContact O-N 3.39Å; R286-V288 PolarHBondContact O-N 3.29Å; V288-R290 VanDerWaalsContact C-N 3.32Å; V288-R290 PolarHBondContact O-N 2.94Å; V288-C291 PolarHBondContact O-N 3.42Å; V288-F299 HydrophobicContact CG1-CD1 3.67Å; V288-F299 HydrophobicContact CG1-CE1 3.38Å; V288-F299 HydrophobicContact CG1-CE2 4.3Å; V288-F299 HydrophobicContact CG1-CG 4.24Å; V288-F299 HydrophobicContact CG1-CZ 3.75Å; V288-F299 WeakPolarHBondContact O-CD1 3.27Å; V288-F299 WeakPolarHBondContact O-CE1 3.28Å; V288-L321 HydrophobicContact CB-CD1 4.21Å; V288-L321 HydrophobicContact CG1-CD1 3.93Å; V288-L321 HydrophobicContact CG2-CD1 4.31Å; V288-L321 HydrophobicContact CG2-CD2 4.48Å; V288-L321 HydrophobicContact CG2-CG 4.47Å; V288-L349 HydrophobicContact CG1-CD1 4.24Å
289T97.2Very high96.6Very high16 Ų1634.6 Ų34.610%0.09817%0.174CC..Hα-helixtrans-58.4-41.8174.4-630000111.9V285 R286 F287 C291 W292 V345V285-T289 VanDerWaalsContact O-CB 3.31Å; V285-T289 WeakPolarHBondContact O-CB 3.28Å; V285-T289 PolarHBondContact O-N 3.28Å; V285-T289 PolarHBondContact O-OG1 3.49Å; R286-T289 VanDerWaalsContact O-CB 3.28Å; R286-T289 WeakPolarHBondContact O-CB 3.27Å; R286-T289 PolarHBondContact O-N 2.92Å; F287-T289 VanDerWaalsContact C-N 3.26Å; F287-T289 PolarHBondContact O-N 3.28Å; T289-C291 PolarHBondContact O-N 3.34Å; T289-W292 VanDerWaalsContact O-CB 3.26Å; T289-W292 WeakPolarHBondContact O-CB 3.4Å; T289-W292 PolarHBondContact O-N 2.79Å; T289-V345 HydrophobicContact CG2-CB 3.9Å; T289-V345 HydrophobicContact CG2-CG1 3.87Å
290R96.4Very high96.6Very high111 Ų11134.2 Ų34.242%0.41917%0.172SC..Hα-helixtrans-70.6-21.3-179.8-63.5-172.5-55.1105.8-1.1112.9E248 R286 F287 V288 W292 P303E248-R290 VanDerWaalsContact CD-NH2 3.3Å; E248-R290 IonicContact OE1-CZ 2.62Å; E248-R290 IonicContact OE1-NE 3.51Å; E248-R290 PolarHBondContact OE1-NE 2.93Å; E248-R290 IonicContact OE1-NH2 3.78Å; E248-R290 PolarHBondContact OE1-NH2 2.87Å; E248-R290 IonicContact OE2-CZ 3.81Å; E248-R290 VanDerWaalsContact OE2-CZ 3.23Å; E248-R290 IonicContact OE2-NE 2.64Å; E248-R290 PolarHBondContact OE2-NE 3.48Å; E248-R290 IonicContact OE2-NH2 3.18Å; E248-R290 PolarHBondContact OE2-NH2 3.02Å; R286-R290 WeakPolarHBondContact O-CG 3.42Å; R286-R290 PolarHBondContact O-N 2.68Å; R286-R290 VanDerWaalsContact O-N 3.09Å; F287-R290 PolarHBondContact O-N 3.05Å; V288-R290 VanDerWaalsContact C-N 3.32Å; V288-R290 PolarHBondContact O-N 2.94Å; R290-W292 VanDerWaalsContact C-N 3.29Å; R290-P303 HydrophobicContact CB-CB 4.03Å; R290-P303 WeakPolarHBondContact O-CB 3.31Å
291C97.5Very high96.7Very high1 Ų134.6 Ų34.61%0.00717%0.17CC..THydrogen-bonded Turntrans-88.27.8175.7-600000113.2T260 F287 V288 T289 F299 T300 T302 P303T260-C291 HydrophobicContact CG2-CB 3.44Å; T260-C291 VanDerWaalsContact CG2-CB 3.44Å; T260-C291 WeakPolarHBondContact CG2-SG 3.31Å; F287-C291 PolarHBondContact O-N 3.11Å; F287-C291 PolarHBondContact O-SG 2.97Å; V288-C291 PolarHBondContact O-N 3.42Å; T289-C291 PolarHBondContact O-N 3.34Å; C291-F299 WeakPolarHBondContact O-CA 3.34Å; C291-T300 WeakPolarHBondContact CA-OG1 3.34Å; C291-T300 WeakPolarHBondContact CB-OG1 3.47Å; C291-T300 PolarHBondContact O-N 3.08Å; C291-T300 PolarHBondContact O-OG1 2.97Å; C291-T302 VanDerWaalsContact SG-C 3.55Å; C291-P303 VanDerWaalsContact SG-CD 3.58Å
292W97.6Very high96.8Very high27 Ų2734 Ų3410%0.10217%0.17CC..EExtended strand (participates in β ladder)trans-77123.6177.6178.3-101.7000112V9 K12 L13 T289 R290 D294 G297 F299 V345V9-W292 HydrophobicContact CB-CH2 4.29Å; V9-W292 HydrophobicContact CB-CZ2 4.44Å; V9-W292 HydrophobicContact CG1-CE3 4.45Å; V9-W292 HydrophobicContact CG1-CH2 3.79Å; V9-W292 HydrophobicContact CG1-CZ2 4.35Å; V9-W292 HydrophobicContact CG1-CZ3 3.86Å; V9-W292 HydrophobicContact CG2-CH2 4.47Å; V9-W292 HydrophobicContact CG2-CZ2 4.2Å; K12-W292 HydrophobicContact CB-CH2 3.81Å; K12-W292 HydrophobicContact CB-CZ2 3.79Å; K12-W292 HydrophobicContact CD-CZ2 3.71Å; K12-W292 HydrophobicContact CG-CZ2 4.39Å; L13-W292 HydrophobicContact CD1-CZ3 4.38Å; L13-W292 HydrophobicContact CD2-CH2 4.29Å; L13-W292 HydrophobicContact CD2-CZ3 3.8Å; L13-W292 HydrophobicContact CG-CH2 3.96Å; L13-W292 HydrophobicContact CG-CZ3 3.85Å; T289-W292 VanDerWaalsContact O-CB 3.26Å; T289-W292 WeakPolarHBondContact O-CB 3.4Å; T289-W292 PolarHBondContact O-N 2.79Å; R290-W292 VanDerWaalsContact C-N 3.29Å; W292-D294 PolarHBondContact NE1-OD1 3.28Å; W292-G297 VanDerWaalsContact CH2-C 3.44Å; W292-G297 WeakPolarHBondContact CH2-O 3.33Å; W292-F299 HydrophobicContact CB-CD1 4.37Å; W292-F299 HydrophobicContact CB-CE1 4.21Å; W292-F299 HydrophobicContact CD2-CE1 4.37Å; W292-F299 AromaticContact CE3-CD1 3.88Å; W292-F299 HydrophobicContact CE3-CD1 3.88Å; W292-F299 AromaticContact CE3-CE1 3.46Å; W292-F299 HydrophobicContact CE3-CE1 3.46Å; W292-F299 VanDerWaalsContact CE3-CE1 3.46Å; W292-F299 HydrophobicContact CE3-CE2 4.25Å; W292-F299 HydrophobicContact CE3-CG 4.43Å; W292-F299 AromaticContact CE3-CZ 3.65Å; W292-F299 HydrophobicContact CE3-CZ 3.65Å; W292-F299 HydrophobicContact CZ3-CE1 4.21Å; W292-F299 HydrophobicContact CZ3-CE2 4.21Å; W292-F299 AromaticContact CZ3-CZ 3.93Å; W292-F299 HydrophobicContact CZ3-CZ 3.93Å; W292-V345 HydrophobicContact CB-CG1 3.77Å; W292-V345 HydrophobicContact CB-CG2 4.46Å; W292-V345 VanDerWaalsContact CD1-CG2 3.42Å; W292-V345 HydrophobicContact CD2-CG1 4.13Å; W292-V345 HydrophobicContact CG-CB 4.48Å; W292-V345 HydrophobicContact CG-CG1 3.71Å; W292-V345 HydrophobicContact CG-CG2 3.92Å
293N97.1Very high96.9Very high48 Ų4834.4 Ų34.426%0.25718%0.176SC..EExtended strand (participates in β ladder)trans-92.7111.2169.7-173.3-65.1000110.4V295 I296 G297 A298 T300 P309N293-V295 VanDerWaalsContact C-N 3.34Å; N293-V295 PolarHBondContact O-N 2.98Å; N293-V295 PolarHBondContact OD1-N 2.97Å; N293-V295 VanDerWaalsContact OD1-N 3.11Å; N293-I296 HydrophobicContact CB-CB 4.41Å; N293-I296 WeakPolarHBondContact OD1-CG1 3.49Å; N293-I296 PolarHBondContact OD1-N 2.83Å; N293-G297 WeakPolarHBondContact O-CA 3.47Å; N293-G297 PolarHBondContact O-N 2.93Å; N293-A298 PolarHBondContact N-O 3.27Å; N293-T300 HydrophobicContact CB-CG2 4.46Å; N293-P309 HydrophobicContact CB-CG 3.42Å; N293-P309 VanDerWaalsContact CB-CG 3.42Å
294D94.9Very high96.8Very high71 Ų7137.9 Ų37.938%0.3819%0.193SC..THydrogen-bonded Turntrans-66.3-34.2-175.3-160.259.8000113.5K12 W292 Y344K12-D294 PolarHBondContact NZ-O 3.12Å; K12-D294 IonicContact NZ-OD1 3.88Å; K12-D294 PolarHBondContact NZ-OD1 3.23Å; K12-D294 IonicContact NZ-OD2 3.61Å; K12-D294 PolarHBondContact NZ-OD2 3.27Å; W292-D294 PolarHBondContact NE1-OD1 3.28Å; D294-Y344 PolarHBondContact OD1-OH 3.27Å
295V94.8Very high96.5Very high131 Ų13145.5 Ų45.579%0.79423%0.229SC*.THydrogen-bonded Turntrans-72.6-47.9-176.31780000110.8N293N293-V295 VanDerWaalsContact C-N 3.34Å; N293-V295 PolarHBondContact O-N 2.98Å; N293-V295 PolarHBondContact OD1-N 2.97Å; N293-V295 VanDerWaalsContact OD1-N 3.11Å
296I95.1Very high96.3Very high64 Ų6453.2 Ų53.233%0.32826%0.263SS..THydrogen-bonded Turntrans-76.6-39.2-179-59.7-59.3000111Y16 R19 N293 A298 P309Y16-I296 HydrophobicContact CD2-CG2 3.61Å; Y16-I296 HydrophobicContact CE2-CG2 3.59Å; R19-I296 PolarHBondContact NH2-O 3.14Å; N293-I296 HydrophobicContact CB-CB 4.41Å; N293-I296 WeakPolarHBondContact OD1-CG1 3.49Å; N293-I296 PolarHBondContact OD1-N 2.83Å; I296-A298 HydrophobicContact CG2-CB 3.94Å; I296-P309 HydrophobicContact CB-CG 4.09Å; I296-P309 HydrophobicContact CG1-CG 4.3Å; I296-P309 HydrophobicContact CG2-CB 4.27Å; I296-P309 HydrophobicContact CG2-CG 4.14Å
297G97.2Very high96.2Very high1 Ų152 Ų521%0.0126%0.263CS..THydrogen-bonded Turntrans85.342.1-176.300000113.6K12 W292 N293K12-G297 CarbonylContact C-O 3.51Å; W292-G297 VanDerWaalsContact CH2-C 3.44Å; W292-G297 WeakPolarHBondContact CH2-O 3.33Å; N293-G297 WeakPolarHBondContact O-CA 3.47Å; N293-G297 PolarHBondContact O-N 2.93Å
298A97.9Very high96.1Very high0 Ų056.8 Ų56.80%029%0.292CS..EExtended strand (participates in β ladder)trans-153.5168.6-170.600000111.5Y16 N293 I296 P309 T314Y16-A298 HydrophobicContact CD1-CB 3.71Å; Y16-A298 HydrophobicContact CD2-CB 3.6Å; Y16-A298 HydrophobicContact CE1-CB 3.72Å; Y16-A298 HydrophobicContact CE2-CB 3.61Å; Y16-A298 HydrophobicContact CG-CB 3.63Å; N293-A298 PolarHBondContact N-O 3.27Å; I296-A298 HydrophobicContact CG2-CB 3.94Å; A298-P309 HydrophobicContact CB-CB 3.49Å; A298-P309 VanDerWaalsContact CB-CB 3.49Å; A298-P309 HydrophobicContact CB-CG 4.19Å; A298-T314 HydrophobicContact CB-CG2 4.11Å; A298-T314 WeakPolarHBondContact CB-OG1 3.45Å
299F98.3Very high96Very high0 Ų057.4 Ų57.40%030%0.296CS..EExtended strand (participates in β ladder)trans-96.7137.7-179.5-59.7-72.5000112L13 V288 C291 W292 P309 T314 L318 L349L13-F299 HydrophobicContact CD1-CE2 4.39Å; L13-F299 HydrophobicContact CD2-CD2 4.35Å; L13-F299 HydrophobicContact CD2-CE2 4.01Å; V288-F299 HydrophobicContact CG1-CD1 3.67Å; V288-F299 HydrophobicContact CG1-CE1 3.38Å; V288-F299 HydrophobicContact CG1-CE2 4.3Å; V288-F299 HydrophobicContact CG1-CG 4.24Å; V288-F299 HydrophobicContact CG1-CZ 3.75Å; V288-F299 WeakPolarHBondContact O-CD1 3.27Å; V288-F299 WeakPolarHBondContact O-CE1 3.28Å; C291-F299 WeakPolarHBondContact O-CA 3.34Å; W292-F299 HydrophobicContact CB-CD1 4.37Å; W292-F299 HydrophobicContact CB-CE1 4.21Å; W292-F299 HydrophobicContact CD2-CE1 4.37Å; W292-F299 AromaticContact CE3-CD1 3.88Å; W292-F299 HydrophobicContact CE3-CD1 3.88Å; W292-F299 AromaticContact CE3-CE1 3.46Å; W292-F299 HydrophobicContact CE3-CE1 3.46Å; W292-F299 VanDerWaalsContact CE3-CE1 3.46Å; W292-F299 HydrophobicContact CE3-CE2 4.25Å; W292-F299 HydrophobicContact CE3-CG 4.43Å; W292-F299 AromaticContact CE3-CZ 3.65Å; W292-F299 HydrophobicContact CE3-CZ 3.65Å; W292-F299 HydrophobicContact CZ3-CE1 4.21Å; W292-F299 HydrophobicContact CZ3-CE2 4.21Å; W292-F299 AromaticContact CZ3-CZ 3.93Å; W292-F299 HydrophobicContact CZ3-CZ 3.93Å; F299-P309 WeakPolarHBondContact O-CA 3.33Å; F299-P309 WeakPolarHBondContact O-CB 3.46Å; F299-T314 HydrophobicContact CD2-CG2 3.96Å; F299-T314 PolarHBondContact N-OG1 2.86Å; F299-T314 VanDerWaalsContact N-OG1 3.14Å; F299-T314 PolarHBondContact O-OG1 2.82Å; F299-L318 HydrophobicContact CE2-CD2 3.88Å; F299-L318 HydrophobicContact CE2-CG 4.06Å; F299-L349 HydrophobicContact CE1-CD1 4.14Å; F299-L349 HydrophobicContact CZ-CD1 4.04Å; F299-L349 HydrophobicContact CZ-CD2 3.94Å
300T98.2Very high95.9Very high7 Ų758.7 Ų58.74%0.04330%0.302CS..  trans-86.6168.7169.359.70000110.7T260 C291 N293 T302 C307 P309T260-T300 WeakPolarHBondContact CB-O 3.29Å; T260-T300 WeakPolarHBondContact CG2-O 3.49Å; T260-T300 PolarHBondContact OG1-O 2.64Å; C291-T300 WeakPolarHBondContact CA-OG1 3.34Å; C291-T300 WeakPolarHBondContact CB-OG1 3.47Å; C291-T300 PolarHBondContact O-N 3.08Å; C291-T300 PolarHBondContact O-OG1 2.97Å; N293-T300 HydrophobicContact CB-CG2 4.46Å; T300-T302 WeakPolarHBondContact CB-O 3.49Å; T300-T302 PolarHBondContact OG1-O 2.62Å; T300-C307 HydrophobicContact CG2-CB 4.36Å; T300-C307 WeakPolarHBondContact CG2-O 3.27Å; T300-P309 HydrophobicContact CG2-CB 4.46Å; T300-P309 HydrophobicContact CG2-CG 3.79Å
301K97.9Very high95.9Very high85 Ų8553.6 Ų53.637%0.3728%0.284SS..SBendtrans-62.3-46170-178.8-167.4167.788.40112D259 T260 H313D259-K301 WeakPolarHBondContact CA-O 3.41Å; D259-K301 HydrophobicContact CB-CG 3.94Å; D259-K301 WeakPolarHBondContact OD1-CG 3.48Å; D259-K301 WeakPolarHBondContact OD2-CE 3.42Å; D259-K301 WeakPolarHBondContact OD2-CG 3.35Å; D259-K301 IonicContact OD2-NZ 3.8Å; D259-K301 PolarHBondContact OD2-NZ 3.06Å; T260-K301 PolarHBondContact N-O 2.99Å; T260-K301 PolarHBondContact OG1-O 2.74Å; K301-H313 VanDerWaalsContact CA-CD2 3.46Å; K301-H313 WeakPolarHBondContact CA-CD2 3.37Å; K301-H313 WeakPolarHBondContact CB-NE2 3.42Å; K301-H313 WeakPolarHBondContact CG-NE2 3.29Å
302T97.5Very high95.9Very high32 Ų3256.2 Ų56.220%0.19630%0.297CS..SBendtrans-137.1161.2-175.967.20000109.6C291 T300 D304C291-T302 VanDerWaalsContact SG-C 3.55Å; T300-T302 WeakPolarHBondContact CB-O 3.49Å; T300-T302 PolarHBondContact OG1-O 2.62Å; T302-D304 PolarHBondContact O-N 3.1Å; T302-D304 WeakPolarHBondContact OG1-CB 3.49Å
303P95.9Very high96Very high59 Ų5956 Ų5638%0.38330%0.297SS..SBendtrans-739.9177.733.5-39.8000113.4R290 C291R290-P303 HydrophobicContact CB-CB 4.03Å; R290-P303 WeakPolarHBondContact O-CB 3.31Å; C291-P303 VanDerWaalsContact SG-CD 3.58Å
304D94.8Very high96Very high84 Ų8453.7 Ų53.745%0.44929%0.285SS..  trans-65.6136178.5-176.7-86.9000110.8T302 F306 C307T302-D304 PolarHBondContact O-N 3.1Å; T302-D304 WeakPolarHBondContact OG1-CB 3.49Å; D304-F306 PolarHBondContact O-N 3.47Å; D304-F306 VanDerWaalsContact O-N 3.17Å; D304-F306 WeakPolarHBondContact OD1-CA 3.35Å; D304-F306 WeakPolarHBondContact OD1-CB 3.16Å; D304-F306 WeakPolarHBondContact OD1-CD2 3.32Å; D304-F306 PolarHBondContact OD1-N 3.11Å; D304-C307 HydrophobicContact CB-CB 4.25Å; D304-C307 VanDerWaalsContact O-CB 3.3Å; D304-C307 WeakPolarHBondContact O-CB 3.46Å; D304-C307 PolarHBondContact O-N 2.87Å
305Q90.6Very high96.2Very high161 Ų16150.3 Ų50.375%0.75227%0.267SS*.THydrogen-bonded Turntrans-63.4-22.1-175.167.2-176-200114.4
306F92.3Very high96.4Very high161 Ų16144 Ų4471%0.70623%0.229SC*.THydrogen-bonded Turntrans-94.7-5.4177.9-54-69.6000112.5D304D304-F306 PolarHBondContact O-N 3.47Å; D304-F306 VanDerWaalsContact O-N 3.17Å; D304-F306 WeakPolarHBondContact OD1-CA 3.35Å; D304-F306 WeakPolarHBondContact OD1-CB 3.16Å; D304-F306 WeakPolarHBondContact OD1-CD2 3.32Å; D304-F306 PolarHBondContact OD1-N 3.11Å
307C94.6Very high96.6Very high30 Ų3041 Ų4120%0.20321%0.213CC..PPolyproline II helixtrans-75.7125.4176.4-164.20000110.1T300 D304T300-C307 HydrophobicContact CG2-CB 4.36Å; T300-C307 WeakPolarHBondContact CG2-O 3.27Å; D304-C307 HydrophobicContact CB-CB 4.25Å; D304-C307 VanDerWaalsContact O-CB 3.3Å; D304-C307 WeakPolarHBondContact O-CB 3.46Å; D304-C307 PolarHBondContact O-N 2.87Å
308T94.2Very high96.6Very high104 Ų10441 Ų4164%0.63821%0.213SC*.PPolyproline II helixtrans-96.7142178.855.20000111.2
309P95.9Very high96.6Very high13 Ų1341 Ų418%0.08421%0.213CC..PPolyproline II helixtrans-65.9147.6174.9-19.531.6000112.6N293 I296 A298 F299 T300N293-P309 HydrophobicContact CB-CG 3.42Å; N293-P309 VanDerWaalsContact CB-CG 3.42Å; I296-P309 HydrophobicContact CB-CG 4.09Å; I296-P309 HydrophobicContact CG1-CG 4.3Å; I296-P309 HydrophobicContact CG2-CB 4.27Å; I296-P309 HydrophobicContact CG2-CG 4.14Å; A298-P309 HydrophobicContact CB-CB 3.49Å; A298-P309 VanDerWaalsContact CB-CB 3.49Å; A298-P309 HydrophobicContact CB-CG 4.19Å; F299-P309 WeakPolarHBondContact O-CA 3.33Å; F299-P309 WeakPolarHBondContact O-CB 3.46Å; T300-P309 HydrophobicContact CG2-CB 4.46Å; T300-P309 HydrophobicContact CG2-CG 3.79Å
310D95.5Very high96.6Very high43 Ų4341 Ų4123%0.2321%0.213CC..  trans-141.1163.1173.564.565.6000111.6Y16 L312 H313 T314Y16-D310 WeakPolarHBondContact OH-CA 3.45Å; Y16-D310 PolarHBondContact OH-N 3.18Å; Y16-D310 PolarHBondContact OH-O 3.32Å; D310-L312 VanDerWaalsContact C-N 3.26Å; D310-L312 PolarHBondContact O-N 3.38Å; D310-L312 WeakPolarHBondContact OD1-CA 3.44Å; D310-L312 WeakPolarHBondContact OD1-CB 3.32Å; D310-L312 PolarHBondContact OD1-N 3.12Å; D310-H313 IonicContact OD1-CE1 3.23Å; D310-H313 IonicContact OD1-CG 3.24Å; D310-H313 PolarHBondContact OD1-N 3.19Å; D310-H313 IonicContact OD1-ND1 2.88Å; D310-H313 PolarHBondContact OD1-ND1 3.47Å; D310-H313 IonicContact OD2-CE1 2.84Å; D310-H313 PolarHBondContact OD2-CE1 2.94Å; D310-H313 IonicContact OD2-CG 2.8Å; D310-H313 IonicContact OD2-ND1 2.9Å; D310-H313 PolarHBondContact OD2-ND1 2.87Å; D310-T314 WeakPolarHBondContact O-CB 3.41Å; D310-T314 PolarHBondContact O-N 3.36Å; D310-T314 PolarHBondContact O-OG1 3.38Å
311P96.3Very high96.5Very high4 Ų440.8 Ų40.83%0.02621%0.212CC..Hα-helixtrans-62.4-31.8-176.5-27.638.9000113.4Y16 C20 V38 F41 Y315Y16-P311 WeakPolarHBondContact OH-CD 3.47Å; Y16-P311 VanDerWaalsContact OH-N 3.15Å; C20-P311 HydrophobicContact CB-CG 4.12Å; V38-P311 HydrophobicContact CG1-CB 4.46Å; V38-P311 HydrophobicContact CG1-CG 4.06Å; F41-P311 HydrophobicContact CB-CB 3.91Å; P311-Y315 WeakPolarHBondContact O-CB 3.4Å; P311-Y315 PolarHBondContact O-N 2.92Å
312L97.9Very high96.4Very high56 Ų5636.7 Ų36.729%0.29319%0.194SC..Hα-helixtrans-66.2-56.9-179.7178.8158.5000110.3F41 C261 D310 T314 Y315 L316F41-L312 HydrophobicContact CD2-CB 3.85Å; F41-L312 HydrophobicContact CE2-CB 3.55Å; F41-L312 HydrophobicContact CE2-CD1 3.82Å; F41-L312 HydrophobicContact CE2-CG 3.79Å; F41-L312 HydrophobicContact CZ-CB 4.07Å; F41-L312 HydrophobicContact CZ-CD1 3.9Å; F41-L312 HydrophobicContact CZ-CG 3.82Å; C261-L312 HydrophobicContact CB-CD2 3.76Å; D310-L312 VanDerWaalsContact C-N 3.26Å; D310-L312 PolarHBondContact O-N 3.38Å; D310-L312 WeakPolarHBondContact OD1-CA 3.44Å; D310-L312 WeakPolarHBondContact OD1-CB 3.32Å; D310-L312 PolarHBondContact OD1-N 3.12Å; L312-T314 VanDerWaalsContact C-N 3.27Å; L312-T314 PolarHBondContact O-N 3.33Å; L312-Y315 PolarHBondContact O-N 3.34Å; L312-L316 HydrophobicContact CD2-CD1 3.71Å; L312-L316 HydrophobicContact CD2-CG 4.49Å; L312-L316 HydrophobicContact CG-CD1 3.91Å; L312-L316 VanDerWaalsContact O-CB 3.31Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 VanDerWaalsContact O-CG 3.27Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.94Å
313H98.5Very high96.4Very high21 Ų2135.2 Ų35.210%0.09719%0.185CC..Hα-helixtrans-65.4-36-178.2-67.790.5000110.9D259 T260 K301 D310 S317D259-H313 IonicContact OD1-CD2 3.06Å; D259-H313 PolarHBondContact OD1-CD2 3.27Å; D259-H313 IonicContact OD1-NE2 2.68Å; D259-H313 PolarHBondContact OD1-NE2 2.81Å; D259-H313 IonicContact OD2-NE2 2.94Å; T260-H313 PolarHBondContact OG1-CD2 3.12Å; K301-H313 VanDerWaalsContact CA-CD2 3.46Å; K301-H313 WeakPolarHBondContact CA-CD2 3.37Å; K301-H313 WeakPolarHBondContact CB-NE2 3.42Å; K301-H313 WeakPolarHBondContact CG-NE2 3.29Å; D310-H313 IonicContact OD1-CE1 3.23Å; D310-H313 IonicContact OD1-CG 3.24Å; D310-H313 PolarHBondContact OD1-N 3.19Å; D310-H313 IonicContact OD1-ND1 2.88Å; D310-H313 PolarHBondContact OD1-ND1 3.47Å; D310-H313 IonicContact OD2-CE1 2.84Å; D310-H313 PolarHBondContact OD2-CE1 2.94Å; D310-H313 IonicContact OD2-CG 2.8Å; D310-H313 IonicContact OD2-ND1 2.9Å; D310-H313 PolarHBondContact OD2-ND1 2.87Å; H313-S317 VanDerWaalsContact O-CB 3.24Å; H313-S317 WeakPolarHBondContact O-CB 3.46Å; H313-S317 PolarHBondContact O-N 3.23Å; H313-S317 PolarHBondContact O-OG 3.19Å
314T98.5Very high96.3Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-65.1-47.9177.6-52.70000111.9L13 Y16 F17 A298 F299 D310 L312 L318L13-T314 HydrophobicContact CD2-CG2 3.43Å; L13-T314 VanDerWaalsContact CD2-CG2 3.43Å; Y16-T314 HydrophobicContact CD1-CG2 4Å; Y16-T314 HydrophobicContact CE1-CG2 4.04Å; F17-T314 HydrophobicContact CE1-CG2 3.84Å; F17-T314 HydrophobicContact CE2-CG2 4.13Å; F17-T314 HydrophobicContact CZ-CG2 3.46Å; F17-T314 VanDerWaalsContact CZ-CG2 3.46Å; A298-T314 HydrophobicContact CB-CG2 4.11Å; A298-T314 WeakPolarHBondContact CB-OG1 3.45Å; F299-T314 HydrophobicContact CD2-CG2 3.96Å; F299-T314 PolarHBondContact N-OG1 2.86Å; F299-T314 VanDerWaalsContact N-OG1 3.14Å; F299-T314 PolarHBondContact O-OG1 2.82Å; D310-T314 WeakPolarHBondContact O-CB 3.41Å; D310-T314 PolarHBondContact O-N 3.36Å; D310-T314 PolarHBondContact O-OG1 3.38Å; L312-T314 VanDerWaalsContact C-N 3.27Å; L312-T314 PolarHBondContact O-N 3.33Å; T314-L318 PolarHBondContact O-N 2.91Å
315Y98.7Very high95.8Very high0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-66-49.5178.1175.1-118.8000112.1F40 F41 S44 P311 L312 S317 L318 S319 N366F40-Y315 HydrophobicContact CE1-CE1 4.22Å; F40-Y315 HydrophobicContact CZ-CE1 4.23Å; F41-Y315 AromaticContact CD1-CD1 3.47Å; F41-Y315 HydrophobicContact CD1-CD1 3.47Å; F41-Y315 VanDerWaalsContact CD1-CD1 3.47Å; F41-Y315 HydrophobicContact CD1-CE1 4.22Å; F41-Y315 HydrophobicContact CD1-CG 4.21Å; F41-Y315 HydrophobicContact CE1-CD1 4.09Å; F41-Y315 HydrophobicContact CG-CD1 4.42Å; S44-Y315 WeakPolarHBondContact CB-OH 3.34Å; P311-Y315 WeakPolarHBondContact O-CB 3.4Å; P311-Y315 PolarHBondContact O-N 2.92Å; L312-Y315 PolarHBondContact O-N 3.34Å; Y315-S317 VanDerWaalsContact C-N 3.3Å; Y315-S317 PolarHBondContact O-N 3.42Å; Y315-L318 PolarHBondContact O-N 3.02Å; Y315-L318 VanDerWaalsContact O-N 3.15Å; Y315-S319 WeakPolarHBondContact O-CB 3.34Å; Y315-S319 PolarHBondContact O-N 2.93Å; Y315-N366 WeakPolarHBondContact CE1-ND2 3.18Å; Y315-N366 WeakPolarHBondContact CE1-OD1 3.47Å; Y315-N366 PolarHBondContact OH-O 2.92Å; Y315-N366 PolarHBondContact OH-OD1 3.33Å
316L98.7Very high94.3Very high0 Ų025 Ų250%014%0.142CC..Hα-helixtrans-69.4-26.4-176.1-64-175.3000112.7C261 F264 W265 L312 G320 N366C261-L316 HydrophobicContact CB-CB 4.14Å; C261-L316 HydrophobicContact CB-CD1 3.86Å; F264-L316 HydrophobicContact CB-CB 3.88Å; F264-L316 HydrophobicContact CB-CD2 3.98Å; F264-L316 HydrophobicContact CB-CG 4.43Å; F264-L316 VanDerWaalsContact CB-O 3.28Å; F264-L316 WeakPolarHBondContact CB-O 3.38Å; F264-L316 HydrophobicContact CD1-CD2 3.71Å; F264-L316 HydrophobicContact CE1-CD2 4.43Å; F264-L316 HydrophobicContact CG-CD2 3.83Å; W265-L316 HydrophobicContact CH2-CD1 4.28Å; W265-L316 HydrophobicContact CZ2-CD1 3.46Å; W265-L316 VanDerWaalsContact CZ2-CD1 3.46Å; L312-L316 HydrophobicContact CD2-CD1 3.71Å; L312-L316 HydrophobicContact CD2-CG 4.49Å; L312-L316 HydrophobicContact CG-CD1 3.91Å; L312-L316 VanDerWaalsContact O-CB 3.31Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 VanDerWaalsContact O-CG 3.27Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.94Å; L316-G320 PolarHBondContact O-N 3.27Å; L316-N366 WeakPolarHBondContact CD2-ND2 3.38Å
317S98.5Very high92.5Very high0 Ų022.6 Ų22.60%015%0.145CC..Hα-helixtrans-60.4-52.5168-62.30000111.1T260 H313 Y315 G320 L321T260-S317 WeakPolarHBondContact CB-OG 3.49Å; H313-S317 VanDerWaalsContact O-CB 3.24Å; H313-S317 WeakPolarHBondContact O-CB 3.46Å; H313-S317 PolarHBondContact O-N 3.23Å; H313-S317 PolarHBondContact O-OG 3.19Å; Y315-S317 VanDerWaalsContact C-N 3.3Å; Y315-S317 PolarHBondContact O-N 3.42Å; S317-G320 PolarHBondContact O-N 3.04Å; S317-L321 VanDerWaalsContact O-CG 3.31Å; S317-L321 WeakPolarHBondContact O-CG 3.48Å; S317-L321 PolarHBondContact O-N 3.04Å
318L97.7Very high90Very high1 Ų127.1 Ų27.11%0.00517%0.167CC..Hα-helixtrans-68.5-44.3-177.4-66173.3000112.3L13 F17 L48 F299 T314 Y315 G320 L321 S322 L349 L352L13-L318 HydrophobicContact CD1-CD1 3.79Å; L13-L318 HydrophobicContact CD1-CD2 3.87Å; L13-L318 HydrophobicContact CD1-CG 4.36Å; L13-L318 HydrophobicContact CD2-CD1 4.06Å; L13-L318 HydrophobicContact CG-CD1 4.42Å; F17-L318 HydrophobicContact CE2-CD1 3.73Å; F17-L318 HydrophobicContact CZ-CD1 4.05Å; L48-L318 HydrophobicContact CD2-CB 3.66Å; F299-L318 HydrophobicContact CE2-CD2 3.88Å; F299-L318 HydrophobicContact CE2-CG 4.06Å; T314-L318 PolarHBondContact O-N 2.91Å; Y315-L318 PolarHBondContact O-N 3.02Å; Y315-L318 VanDerWaalsContact O-N 3.15Å; L318-G320 VanDerWaalsContact C-N 3.31Å; L318-G320 PolarHBondContact O-N 3.15Å; L318-L321 PolarHBondContact O-N 3.38Å; L318-S322 WeakPolarHBondContact O-CB 3.4Å; L318-S322 PolarHBondContact O-N 2.99Å; L318-L349 HydrophobicContact CD2-CD2 4.39Å; L318-L352 HydrophobicContact CD2-CD2 4.45Å
319S98Very high87.2Confident0 Ų030.1 Ų30.10%018%0.179CC..Hα-helixtrans-61.7-41.5178.5-177.20000111.1F264 Y315 S322 C323 V361 N366F264-S319 WeakPolarHBondContact CD2-OG 3.27Å; F264-S319 VanDerWaalsContact CE2-OG 3.26Å; F264-S319 WeakPolarHBondContact CE2-OG 3.33Å; Y315-S319 WeakPolarHBondContact O-CB 3.34Å; Y315-S319 PolarHBondContact O-N 2.93Å; S319-S322 WeakPolarHBondContact O-CB 3.38Å; S319-S322 PolarHBondContact O-N 2.63Å; S319-C323 PolarHBondContact O-N 3.38Å; S319-C323 VanDerWaalsContact O-N 3.13Å; S319-C323 PolarHBondContact O-SG 3.31Å; S319-V361 WeakPolarHBondContact OG-CG2 3.38Å; S319-N366 PolarHBondContact OG-OD1 3.3Å
320G98Very high84.3Confident0 Ų033.8 Ų33.80%021%0.206CC..Hα-helixtrans-64.8-4517500000113.6T263 F264 L316 S317 L318 S322 C323T263-G320 WeakPolarHBondContact O-CA 3.24Å; F264-G320 VanDerWaalsContact CA-CA 3.46Å; L316-G320 PolarHBondContact O-N 3.27Å; S317-G320 PolarHBondContact O-N 3.04Å; L318-G320 VanDerWaalsContact C-N 3.31Å; L318-G320 PolarHBondContact O-N 3.15Å; G320-S322 VanDerWaalsContact C-N 3.3Å; G320-S322 PolarHBondContact O-N 3.31Å; G320-C323 VanDerWaalsContact O-CB 3.29Å; G320-C323 WeakPolarHBondContact O-CB 3.33Å; G320-C323 PolarHBondContact O-N 3.06Å; G320-C323 VanDerWaalsContact O-N 3.07Å
321L97.1Very high81.4Confident2 Ų238.3 Ų38.31%0.0124%0.235CC..Hα-helixtrans-64.1-35.8175.3-67.8179.3000112.1T263 A284 V285 V288 S317 L318 C323 L324 C325 L353T263-L321 HydrophobicContact CG2-CD2 3.91Å; T263-L321 HydrophobicContact CG2-CG 4.11Å; A284-L321 HydrophobicContact CB-CD2 4.36Å; V285-L321 HydrophobicContact CG2-CD1 4.49Å; V285-L321 HydrophobicContact CG2-CD2 3.75Å; V288-L321 HydrophobicContact CB-CD1 4.21Å; V288-L321 HydrophobicContact CG1-CD1 3.93Å; V288-L321 HydrophobicContact CG2-CD1 4.31Å; V288-L321 HydrophobicContact CG2-CD2 4.48Å; V288-L321 HydrophobicContact CG2-CG 4.47Å; S317-L321 VanDerWaalsContact O-CG 3.31Å; S317-L321 WeakPolarHBondContact O-CG 3.48Å; S317-L321 PolarHBondContact O-N 3.04Å; L318-L321 PolarHBondContact O-N 3.38Å; L321-C323 PolarHBondContact O-N 3.48Å; L321-L324 WeakPolarHBondContact O-CA 3.49Å; L321-L324 WeakPolarHBondContact O-CB 3.39Å; L321-L324 PolarHBondContact O-N 3.49Å; L321-C325 PolarHBondContact O-N 2.92Å; L321-L353 HydrophobicContact CB-CD1 4.2Å; L321-L353 HydrophobicContact CB-CD2 3.68Å; L321-L353 HydrophobicContact CD1-CD1 4.38Å
322S96.3Very high78.7Confident0 Ų043.4 Ų43.40%027%0.266CS..Hα-helixtrans-62-29.2172.71780000112.4L318 S319 G320 L324 C325 L359 T360 V361L318-S322 WeakPolarHBondContact O-CB 3.4Å; L318-S322 PolarHBondContact O-N 2.99Å; S319-S322 WeakPolarHBondContact O-CB 3.38Å; S319-S322 PolarHBondContact O-N 2.63Å; G320-S322 VanDerWaalsContact C-N 3.3Å; G320-S322 PolarHBondContact O-N 3.31Å; S322-L324 PolarHBondContact O-N 3.14Å; S322-C325 WeakPolarHBondContact O-CB 3.11Å; S322-C325 PolarHBondContact O-N 2.74Å; S322-L359 PolarHBondContact OG-O 3.01Å; S322-T360 WeakPolarHBondContact OG-CA 3.44Å; S322-V361 PolarHBondContact OG-N 3.49Å; S322-V361 VanDerWaalsContact OG-N 3.11Å
323C96.3Very high75.8Confident0 Ų044.4 Ų44.40%029%0.289CS..THydrogen-bonded Turntrans-67.4-17.6172.4-64.80000113.5C267 K271 S319 G320 L321C267-C323 HydrophobicContact CB-CB 3.98Å; K271-C323 HydrophobicContact CB-CB 4.4Å; K271-C323 HydrophobicContact CD-CB 3.87Å; S319-C323 PolarHBondContact O-N 3.38Å; S319-C323 VanDerWaalsContact O-N 3.13Å; S319-C323 PolarHBondContact O-SG 3.31Å; G320-C323 VanDerWaalsContact O-CB 3.29Å; G320-C323 WeakPolarHBondContact O-CB 3.33Å; G320-C323 PolarHBondContact O-N 3.06Å; G320-C323 VanDerWaalsContact O-N 3.07Å; L321-C323 PolarHBondContact O-N 3.48Å
324L93.2Very high73.2Confident12 Ų1250.3 Ų50.36%0.06332%0.317CS..THydrogen-bonded Turntrans-99.84176.9-54.9178.6000113C267 H276 V279 K281 A284 L321 S322 A326C267-L324 HydrophobicContact CB-CD2 3.93Å; C267-L324 HydrophobicContact CB-CG 4.18Å; H276-L324 HydrophobicContact CB-CD2 4.34Å; V279-L324 HydrophobicContact CB-CD2 3.84Å; V279-L324 HydrophobicContact CG1-CD1 3.81Å; V279-L324 HydrophobicContact CG1-CD2 3.85Å; V279-L324 HydrophobicContact CG2-CD2 4.07Å; K281-L324 HydrophobicContact CB-CD1 4.26Å; K281-L324 HydrophobicContact CD-CB 4.15Å; K281-L324 HydrophobicContact CG-CB 4.09Å; K281-L324 HydrophobicContact CG-CD1 4.17Å; K281-L324 PolarHBondContact NZ-O 3.24Å; K281-L324 VanDerWaalsContact NZ-O 3.16Å; A284-L324 HydrophobicContact CB-CD1 4.23Å; L321-L324 WeakPolarHBondContact O-CA 3.49Å; L321-L324 WeakPolarHBondContact O-CB 3.39Å; L321-L324 PolarHBondContact O-N 3.49Å; S322-L324 PolarHBondContact O-N 3.14Å; L324-A326 PolarHBondContact O-N 3.05Å
325C84.4Confident70.5Confident15 Ų1557.1 Ų57.110%0.10135%0.353CS..SBendtrans-70.5124.8169.3-70.80000108.6L321 S322 S327 L353L321-C325 PolarHBondContact O-N 2.92Å; S322-C325 WeakPolarHBondContact O-CB 3.11Å; S322-C325 PolarHBondContact O-N 2.74Å; C325-S327 PolarHBondContact O-N 2.87Å; C325-L353 PolarHBondContact SG-O 3.43Å
326A60.4Low68Low63 Ų6359.2 Ų59.252%0.52137%0.366SS..  trans-68.7133.5178.200000109.1L324 D328L324-A326 PolarHBondContact O-N 3.05Å; A326-D328 WeakPolarHBondContact CB-O 3.49Å; A326-D328 PolarHBondContact O-N 3.16Å
327S53.2Low65.6Low111 Ų11168 Ų6878%0.77640%0.404SS*.SBendtrans-62-20.7163.5-370000111.4C325C325-S327 PolarHBondContact O-N 2.87Å
328D42.2Very low63.4Low124 Ų12469.7 Ų69.766%0.66342%0.416SS*.SBendtrans-122129.4-173.2-69.1-42.2000111.8A326 S330A326-D328 WeakPolarHBondContact CB-O 3.49Å; A326-D328 PolarHBondContact O-N 3.16Å; D328-S330 PolarHBondContact O-N 2.72Å
329N35.9Very low61.3Low167 Ų16776.6 Ų76.689%0.89345%0.451SS*.  trans-60.835.8178.6-74-40.3000115.3T331N329-T331 VanDerWaalsContact C-N 3.27Å; N329-T331 PolarHBondContact O-N 2.83Å
330S34.9Very low59.4Low91 Ų9179.2 Ų79.264%0.63647%0.465SS*.  trans-7584.4171.360.70000109.7D328 T332D328-S330 PolarHBondContact O-N 2.72Å; S330-T332 VanDerWaalsContact C-N 3.25Å; S330-T332 PolarHBondContact O-N 2.94Å
331T34.4Very low57.6Low137 Ų13781.6 Ų81.684%0.8448%0.482SS*.  trans-64.584.1165.646.10000109.4N329 G333N329-T331 VanDerWaalsContact C-N 3.27Å; N329-T331 PolarHBondContact O-N 2.83Å; T331-G333 VanDerWaalsContact C-N 3.26Å; T331-G333 PolarHBondContact O-N 3.12Å; T331-G333 VanDerWaalsContact O-N 3.14Å
332T40Very low56.4Low112 Ų11289.7 Ų89.769%0.68752%0.517SS*.  trans-80.386.4157.154.60000107.4S330 H334S330-T332 VanDerWaalsContact C-N 3.25Å; S330-T332 PolarHBondContact O-N 2.94Å; T332-H334 VanDerWaalsContact C-N 3.26Å; T332-H334 PolarHBondContact O-N 3.12Å
333G36.5Very low56.1Low76 Ų7691.7 Ų91.778%0.78453%0.531SS*.  trans-65.287167.800000109.5T331T331-G333 VanDerWaalsContact C-N 3.26Å; T331-G333 PolarHBondContact O-N 3.12Å; T331-G333 VanDerWaalsContact O-N 3.14Å
334H44.5Very low56Low145 Ų14594.5 Ų94.567%0.67154%0.542SS*.  trans-82.9117.2159.6-80.7-60.8000107.9T332 V336T332-H334 VanDerWaalsContact C-N 3.26Å; T332-H334 PolarHBondContact O-N 3.12Å; H334-V336 VanDerWaalsContact C-N 3.33Å; H334-V336 PolarHBondContact O-N 3.34Å
335D41.1Very low56.1Low143 Ų14394.3 Ų94.377%0.76554%0.541SS*.  trans-54.192.1171.4-104.7-17.2000109.8K337D335-K337 PolarHBondContact O-N 3.42Å
336V47Very low56.6Low44 Ų4494.1 Ų94.127%0.26754%0.539SS..  trans-7780.2169.8-175.60000107.4H334 S338H334-V336 VanDerWaalsContact C-N 3.33Å; H334-V336 PolarHBondContact O-N 3.34Å; V336-S338 VanDerWaalsContact CG1-OG 3.26Å; V336-S338 WeakPolarHBondContact CG1-OG 3.17Å; V336-S338 PolarHBondContact O-N 3.18Å; V336-S338 VanDerWaalsContact O-N 3.11Å
337K48.1Very low58.2Low184 Ų18497.7 Ų97.780%0.854%0.539SS*.  trans-73.723164.7-70.2-175.3-179.7175.10112.2D335D335-K337 PolarHBondContact O-N 3.42Å
338S53.1Low60.2Low37 Ų3793.1 Ų93.126%0.25951%0.506SS..SBendtrans-78151.9175.288.70000110.5V336 D340 S341V336-S338 VanDerWaalsContact CG1-OG 3.26Å; V336-S338 WeakPolarHBondContact CG1-OG 3.17Å; V336-S338 PolarHBondContact O-N 3.18Å; V336-S338 VanDerWaalsContact O-N 3.11Å; S338-D340 PolarHBondContact O-N 3.49Å; S338-D340 WeakPolarHBondContact OG-CB 3.5Å; S338-D340 PolarHBondContact OG-N 2.69Å; S338-D340 PolarHBondContact OG-OD2 2.86Å; S338-S341 WeakPolarHBondContact O-CB 3.26Å; S338-S341 PolarHBondContact O-N 2.72Å; S338-S341 PolarHBondContact O-OG 3.45Å
339I51.8Low62.8Low145 Ų14587.3 Ų87.374%0.74447%0.474SS*.G310 helixtrans-50.7-26.1176.8-72.2166000111.8S341 K342I339-S341 VanDerWaalsContact C-N 3.28Å; I339-S341 PolarHBondContact O-N 2.93Å; I339-K342 WeakPolarHBondContact O-CB 3.32Å; I339-K342 PolarHBondContact O-N 2.97Å; I339-K342 VanDerWaalsContact O-N 3.16Å
340D58.9Low65.5Low55 Ų5580.8 Ų80.829%0.29444%0.438SS..G310 helixtrans-68.4-22.7-178.4-47.6-53000113.8R286 S338 K342 S343R286-D340 WeakPolarHBondContact CD-OD2 3.46Å; R286-D340 HydrophobicContact CG-CB 4.38Å; S338-D340 PolarHBondContact O-N 3.49Å; S338-D340 WeakPolarHBondContact OG-CB 3.5Å; S338-D340 PolarHBondContact OG-N 2.69Å; S338-D340 PolarHBondContact OG-OD2 2.86Å; D340-K342 PolarHBondContact O-N 3.12Å; D340-S343 WeakPolarHBondContact O-CB 3.44Å; D340-S343 PolarHBondContact O-N 2.9Å
341S59.8Low68.3Low50 Ų5080.4 Ų80.435%0.3543%0.427SS..G310 helixtrans-58.2-19.5171.961.20000113S338 I339 R347S338-S341 WeakPolarHBondContact O-CB 3.26Å; S338-S341 PolarHBondContact O-N 2.72Å; S338-S341 PolarHBondContact O-OG 3.45Å; I339-S341 VanDerWaalsContact C-N 3.28Å; I339-S341 PolarHBondContact O-N 2.93Å; S341-R347 VanDerWaalsContact O-CD 3.26Å; S341-R347 WeakPolarHBondContact O-CD 3.41Å; S341-R347 WeakPolarHBondContact O-CG 3.42Å; S341-R347 PolarHBondContact O-NE 3.31Å
342K73.3Confident71Confident173 Ų17374 Ų7475%0.75239%0.387SS*.G310 helixtrans-79.6-23.9174-62.8-175.4178.7-179.50113.4I339 D340 Y344I339-K342 WeakPolarHBondContact O-CB 3.32Å; I339-K342 PolarHBondContact O-N 2.97Å; I339-K342 VanDerWaalsContact O-N 3.16Å; D340-K342 PolarHBondContact O-N 3.12Å; K342-Y344 PolarHBondContact O-N 3.04Å
343S89.4Confident73.5Confident41 Ų4169.2 Ų69.229%0.28736%0.357SS..  trans-66120.9177177.90000109.6D340 V345 Y346 R347D340-S343 WeakPolarHBondContact O-CB 3.44Å; D340-S343 PolarHBondContact O-N 2.9Å; S343-V345 PolarHBondContact O-N 3.12Å; S343-V345 PolarHBondContact OG-N 3.47Å; S343-Y346 PolarHBondContact O-N 3.04Å; S343-Y346 PolarHBondContact OG-N 3.46Å; S343-R347 PolarHBondContact O-N 3Å
344Y94.1Very high76.1Confident59 Ų5970.8 Ų70.823%0.23135%0.348CS..Hα-helixtrans-62.7-31175.489.3-94.1000110.9K8 V9 D294 K342 R347 N348K8-Y344 HydrophobicContact CB-CD2 4.39Å; K8-Y344 HydrophobicContact CB-CE2 3.93Å; K8-Y344 HydrophobicContact CD-CD2 4.4Å; K8-Y344 HydrophobicContact CD-CE2 3.74Å; K8-Y344 HydrophobicContact CG-CE2 3.96Å; V9-Y344 HydrophobicContact CG2-CE2 4.06Å; D294-Y344 PolarHBondContact OD1-OH 3.27Å; K342-Y344 PolarHBondContact O-N 3.04Å; Y344-R347 PolarHBondContact O-N 3.48Å; Y344-N348 VanDerWaalsContact O-CB 3.29Å; Y344-N348 WeakPolarHBondContact O-CB 3.4Å; Y344-N348 PolarHBondContact O-N 3.24Å
345V95.8Very high78.2Confident8 Ų866.8 Ų66.85%0.04834%0.336CS..Hα-helixtrans-65.5-46.5178.4-179.80000110.3V9 T289 W292 S343 R347 N348 L349V9-V345 HydrophobicContact CG2-CB 4.23Å; V9-V345 HydrophobicContact CG2-CG1 3.98Å; V9-V345 HydrophobicContact CG2-CG2 4.33Å; T289-V345 HydrophobicContact CG2-CB 3.9Å; T289-V345 HydrophobicContact CG2-CG1 3.87Å; W292-V345 HydrophobicContact CB-CG1 3.77Å; W292-V345 HydrophobicContact CB-CG2 4.46Å; W292-V345 VanDerWaalsContact CD1-CG2 3.42Å; W292-V345 HydrophobicContact CD2-CG1 4.13Å; W292-V345 HydrophobicContact CG-CB 4.48Å; W292-V345 HydrophobicContact CG-CG1 3.71Å; W292-V345 HydrophobicContact CG-CG2 3.92Å; S343-V345 PolarHBondContact O-N 3.12Å; S343-V345 PolarHBondContact OG-N 3.47Å; V345-R347 PolarHBondContact O-N 3.23Å; V345-N348 PolarHBondContact O-N 3.45Å; V345-L349 HydrophobicContact CG1-CD1 4.08Å; V345-L349 WeakPolarHBondContact O-CB 3.48Å; V345-L349 WeakPolarHBondContact O-CG 3.36Å; V345-L349 PolarHBondContact O-N 3.22Å
346Y95Very high80.3Confident11 Ų1163 Ų634%0.04333%0.33CS..Hα-helixtrans-59.9-47.4177.3-175.5-99.4000111.1V285 R286 S343 L349 Q350V285-Y346 HydrophobicContact CB-CE2 4.1Å; V285-Y346 HydrophobicContact CG1-CD2 3.81Å; V285-Y346 HydrophobicContact CG1-CE2 3.62Å; R286-Y346 HydrophobicContact CB-CE2 4.44Å; R286-Y346 HydrophobicContact CG-CD2 4.08Å; R286-Y346 HydrophobicContact CG-CE2 3.55Å; S343-Y346 PolarHBondContact O-N 3.04Å; S343-Y346 PolarHBondContact OG-N 3.46Å; Y346-L349 PolarHBondContact O-N 3.47Å; Y346-Q350 HydrophobicContact CD1-CG 4.19Å; Y346-Q350 HydrophobicContact CE1-CG 3.81Å; Y346-Q350 HydrophobicContact CE2-CG 4.48Å; Y346-Q350 WeakPolarHBondContact O-CG 3.4Å; Y346-Q350 PolarHBondContact O-N 2.87Å; Y346-Q350 PolarHBondContact OH-NE2 3.47Å
347R93.7Very high82.4Confident139 Ų13963.4 Ų63.453%0.52533%0.33SS..Hα-helixtrans-61.6-46.1178.2-71-172.2-70.3126.8-2.2112.1S341 S343 Y344 V345 Q350 E351S341-R347 VanDerWaalsContact O-CD 3.26Å; S341-R347 WeakPolarHBondContact O-CD 3.41Å; S341-R347 WeakPolarHBondContact O-CG 3.42Å; S341-R347 PolarHBondContact O-NE 3.31Å; S343-R347 PolarHBondContact O-N 3Å; Y344-R347 PolarHBondContact O-N 3.48Å; V345-R347 PolarHBondContact O-N 3.23Å; R347-Q350 PolarHBondContact O-N 3.23Å; R347-E351 WeakPolarHBondContact O-CB 3.41Å; R347-E351 PolarHBondContact O-N 3.32Å
348N95.6Very high84.5Confident15 Ų1555 Ų558%0.0829%0.294CS..Hα-helixtrans-66.4-34.8177.8-81173000112.6N7 K8 V9 Y344 V345 E351 L352N7-N348 PolarHBondContact ND2-O 3.13Å; N7-N348 WeakPolarHBondContact OD1-CB 3.36Å; K8-N348 PolarHBondContact N-OD1 3.1Å; K8-N348 VanDerWaalsContact N-OD1 3.12Å; V9-N348 HydrophobicContact CB-CB 3.85Å; V9-N348 HydrophobicContact CG2-CB 3.63Å; V9-N348 PolarHBondContact N-OD1 2.74Å; Y344-N348 VanDerWaalsContact O-CB 3.29Å; Y344-N348 WeakPolarHBondContact O-CB 3.4Å; Y344-N348 PolarHBondContact O-N 3.24Å; V345-N348 PolarHBondContact O-N 3.45Å; N348-E351 PolarHBondContact ND2-OE2 2.99Å; N348-L352 WeakPolarHBondContact O-CB 3.26Å; N348-L352 PolarHBondContact O-N 2.79Å
349L95.2Very high86.5Confident1 Ų155 Ų551%0.00529%0.29CS..Hα-helixtrans-68.7-43.9173.7-76172.7000111.8V9 V285 V288 F299 L318 V345 Y346 E351 L352 L353V9-L349 HydrophobicContact CG1-CD2 3.95Å; V9-L349 HydrophobicContact CG1-CG 4.29Å; V285-L349 HydrophobicContact CG1-CB 4.16Å; V288-L349 HydrophobicContact CG1-CD1 4.24Å; F299-L349 HydrophobicContact CE1-CD1 4.14Å; F299-L349 HydrophobicContact CZ-CD1 4.04Å; F299-L349 HydrophobicContact CZ-CD2 3.94Å; L318-L349 HydrophobicContact CD2-CD2 4.39Å; V345-L349 HydrophobicContact CG1-CD1 4.08Å; V345-L349 WeakPolarHBondContact O-CB 3.48Å; V345-L349 WeakPolarHBondContact O-CG 3.36Å; V345-L349 PolarHBondContact O-N 3.22Å; Y346-L349 PolarHBondContact O-N 3.47Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 3.35Å; L349-L352 PolarHBondContact O-N 2.67Å; L349-L353 WeakPolarHBondContact O-CB 3.28Å; L349-L353 WeakPolarHBondContact O-CG 3.31Å; L349-L353 PolarHBondContact O-N 2.83Å
350Q93.4Very high88.6Confident30 Ų3051.6 Ų51.614%0.1428%0.276CS..Hα-helixtrans-60-43.9173.7-73.7-72.44.200111.6N282 V285 Y346 R347 L353 N354N282-Q350 PolarHBondContact OD1-NE2 3.18Å; N282-Q350 VanDerWaalsContact OD1-NE2 3.15Å; V285-Q350 HydrophobicContact CG1-CG 4.3Å; Y346-Q350 HydrophobicContact CD1-CG 4.19Å; Y346-Q350 HydrophobicContact CE1-CG 3.81Å; Y346-Q350 HydrophobicContact CE2-CG 4.48Å; Y346-Q350 WeakPolarHBondContact O-CG 3.4Å; Y346-Q350 PolarHBondContact O-N 2.87Å; Y346-Q350 PolarHBondContact OH-NE2 3.47Å; R347-Q350 PolarHBondContact O-N 3.23Å; Q350-L353 PolarHBondContact O-N 3.36Å; Q350-N354 WeakPolarHBondContact O-CB 3.26Å; Q350-N354 VanDerWaalsContact O-CG 3.27Å; Q350-N354 PolarHBondContact O-N 2.69Å; Q350-N354 VanDerWaalsContact O-N 3.09Å; Q350-N354 PolarHBondContact O-ND2 3.45Å
351E92.8Very high90.4Very high84 Ų8449 Ų4939%0.39326%0.262SS..Hα-helixtrans-60.5-46.8174.8-178.5-179.5-166.100111.7R347 N348 L349 L353 N354 S355R347-E351 WeakPolarHBondContact O-CB 3.41Å; R347-E351 PolarHBondContact O-N 3.32Å; N348-E351 PolarHBondContact ND2-OE2 2.99Å; L349-E351 VanDerWaalsContact C-N 3.33Å; L349-E351 PolarHBondContact O-N 3.35Å; E351-L353 VanDerWaalsContact C-N 3.3Å; E351-L353 PolarHBondContact O-N 2.45Å; E351-N354 PolarHBondContact O-N 3.38Å; E351-S355 WeakPolarHBondContact O-CB 3.37Å; E351-S355 PolarHBondContact O-N 3.24Å; E351-S355 PolarHBondContact O-OG 2.85Å
352L92.7Very high92.2Very high2 Ų248.2 Ų48.21%0.0125%0.252CS..Hα-helixtrans-60.1-39178.2-178.357.8000112R10 L49 L318 N348 L349 S355 E357 L358R10-L352 HydrophobicContact CG-CD1 4.49Å; L49-L352 HydrophobicContact CD2-CD1 4.36Å; L49-L352 HydrophobicContact CD2-CD2 4.07Å; L318-L352 HydrophobicContact CD2-CD2 4.45Å; N348-L352 WeakPolarHBondContact O-CB 3.26Å; N348-L352 PolarHBondContact O-N 2.79Å; L349-L352 PolarHBondContact O-N 2.67Å; L352-S355 PolarHBondContact O-OG 2.91Å; L352-E357 HydrophobicContact CD1-CB 3.95Å; L352-L358 HydrophobicContact CD1-CB 3.92Å; L352-L358 HydrophobicContact CD1-CD1 4.39Å; L352-L358 HydrophobicContact CD2-CD1 4.2Å; L352-L358 HydrophobicContact CG-CB 3.95Å; L352-L358 HydrophobicContact CG-CD1 4.23Å; L352-L358 HydrophobicContact CG-CG 4.5Å; L352-L358 WeakPolarHBondContact O-CB 3.47Å
353L92.2Very high93.4Very high11 Ų1140.3 Ų40.36%0.05822%0.219CC..Hα-helixtrans-74.6-24.1178.9-67.4171000114.2V285 L321 C325 L349 Q350 E351 L358V285-L353 HydrophobicContact CG2-CD1 3.65Å; L321-L353 HydrophobicContact CB-CD1 4.2Å; L321-L353 HydrophobicContact CB-CD2 3.68Å; L321-L353 HydrophobicContact CD1-CD1 4.38Å; C325-L353 PolarHBondContact SG-O 3.43Å; L349-L353 WeakPolarHBondContact O-CB 3.28Å; L349-L353 WeakPolarHBondContact O-CG 3.31Å; L349-L353 PolarHBondContact O-N 2.83Å; Q350-L353 PolarHBondContact O-N 3.36Å; E351-L353 VanDerWaalsContact C-N 3.3Å; E351-L353 PolarHBondContact O-N 2.45Å; L353-L358 HydrophobicContact CD2-CD2 3.63Å
354N90.1Very high93.8Very high110 Ų11039.4 Ų39.459%0.58821%0.21SC*.Hα-helixtrans-108.3-14.2-174.2-63.1-44.2000113.7Q350 E351Q350-N354 WeakPolarHBondContact O-CB 3.26Å; Q350-N354 VanDerWaalsContact O-CG 3.27Å; Q350-N354 PolarHBondContact O-N 2.69Å; Q350-N354 VanDerWaalsContact O-N 3.09Å; Q350-N354 PolarHBondContact O-ND2 3.45Å; E351-N354 PolarHBondContact O-N 3.38Å
355S89Confident94Very high61 Ų6136.6 Ų36.643%0.42720%0.199SC..SBendtrans-82.9-15.8-17855.40000114.4E351 L352 E357E351-S355 WeakPolarHBondContact O-CB 3.37Å; E351-S355 PolarHBondContact O-N 3.24Å; E351-S355 PolarHBondContact O-OG 2.85Å; L352-S355 PolarHBondContact O-OG 2.91Å; S355-E357 PolarHBondContact O-N 3.39Å; S355-E357 WeakPolarHBondContact OG-CB 3.47Å; S355-E357 WeakPolarHBondContact OG-CG 3.35Å; S355-E357 PolarHBondContact OG-N 2.9Å
356G85.4Confident94.1Very high62 Ų6236.4 Ų36.464%0.63920%0.197SC*.SBendtrans77.53.8-169.100000114.1L358G356-L358 VanDerWaalsContact C-N 3.3Å
357E90.2Very high94.3Very high53 Ų5335.9 Ų35.925%0.24820%0.195CC..  trans-73.2-21.3175.4-67.7-175.6154.700113.2S5 L352 S355S5-E357 PolarHBondContact OG-OE1 3.11Å; S5-E357 PolarHBondContact OG-OE2 3.26Å; L352-E357 HydrophobicContact CD1-CB 3.95Å; S355-E357 PolarHBondContact O-N 3.39Å; S355-E357 WeakPolarHBondContact OG-CB 3.47Å; S355-E357 WeakPolarHBondContact OG-CG 3.35Å; S355-E357 PolarHBondContact OG-N 2.9Å
358L94.1Very high94.4Very high9 Ų929.2 Ų29.25%0.04717%0.17CC..SBendtrans-93.5119.8168.9-165.373.2000109L48 L49 L352 L353 G356L48-L358 HydrophobicContact CB-CD1 4.47Å; L48-L358 HydrophobicContact CD2-CD1 3.88Å; L48-L358 HydrophobicContact CD2-CG 4.35Å; L48-L358 HydrophobicContact CG-CD1 3.65Å; L48-L358 HydrophobicContact CG-CG 4.04Å; L49-L358 HydrophobicContact CD2-CD1 3.79Å; L352-L358 HydrophobicContact CD1-CB 3.92Å; L352-L358 HydrophobicContact CD1-CD1 4.39Å; L352-L358 HydrophobicContact CD2-CD1 4.2Å; L352-L358 HydrophobicContact CG-CB 3.95Å; L352-L358 HydrophobicContact CG-CD1 4.23Å; L352-L358 HydrophobicContact CG-CG 4.5Å; L352-L358 WeakPolarHBondContact O-CB 3.47Å; L353-L358 HydrophobicContact CD2-CD2 3.63Å; G356-L358 VanDerWaalsContact C-N 3.3Å
359L95.1Very high94.5Very high35 Ų3531 Ų3118%0.18318%0.178CC..PPolyproline II helixtrans-63.7149.4177.2-60.4-174000110.9A47 L48 D50 S322 P368 K370 Y371A47-L359 VanDerWaalsContact O-CD1 3.23Å; A47-L359 WeakPolarHBondContact O-CD1 3.36Å; L48-L359 HydrophobicContact CD1-CB 4.33Å; L48-L359 WeakPolarHBondContact CD1-O 3.47Å; L48-L359 PolarHBondContact O-N 2.95Å; D50-L359 HydrophobicContact CB-CD1 4.41Å; D50-L359 HydrophobicContact CB-CG 4.39Å; S322-L359 PolarHBondContact OG-O 3.01Å; L359-P368 HydrophobicContact CB-CB 3.84Å; L359-P368 HydrophobicContact CD1-CB 3.88Å; L359-P368 HydrophobicContact CD1-CG 4.39Å; L359-K370 HydrophobicContact CD1-CD 4.16Å; L359-Y371 HydrophobicContact CD1-CE2 4.45Å
360T95Very high94.5Very high74 Ų7436.3 Ų36.345%0.45420%0.201SC..PPolyproline II helixtrans-75.3135.9174.550.80000110.5S322 P368 E369S322-T360 WeakPolarHBondContact OG-CA 3.44Å; T360-P368 CarbonylContact O-C 3.47Å; T360-P368 VanDerWaalsContact O-CA 3.32Å; T360-P368 WeakPolarHBondContact O-CA 3.46Å; T360-E369 PolarHBondContact O-N 3.29Å
361V96.7Very high94.7Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-84.3135.4176.7172.50000111L48 F264 K271 S319 S322 P363L48-V361 HydrophobicContact CD1-CG2 3.47Å; L48-V361 VanDerWaalsContact CD1-CG2 3.47Å; F264-V361 HydrophobicContact CE2-CG1 4.35Å; K271-V361 PolarHBondContact NZ-O 3.03Å; S319-V361 WeakPolarHBondContact OG-CG2 3.38Å; S322-V361 PolarHBondContact OG-N 3.49Å; S322-V361 VanDerWaalsContact OG-N 3.11Å; V361-P363 WeakPolarHBondContact O-CD 3.29Å
362Y97.7Very high94.9Very high34 Ų3431.7 Ų31.713%0.13318%0.179CC..EExtended strand (participates in β ladder)trans-79.9103.7159.5-177.3-111.3000108E364 L365 N366 I367 E369 H372Y362-E364 VanDerWaalsContact C-N 3.32Å; Y362-E364 HydrophobicContact CD1-CB 4.25Å; Y362-E364 HydrophobicContact CE1-CB 3.61Å; Y362-E364 HydrophobicContact CE1-CG 4.33Å; Y362-E364 WeakPolarHBondContact CE2-OE2 3.19Å; Y362-E364 PolarHBondContact O-N 3.02Å; Y362-L365 HydrophobicContact CD1-CB 3.97Å; Y362-L365 HydrophobicContact CD1-CD1 4.18Å; Y362-L365 HydrophobicContact CD1-CG 4.02Å; Y362-L365 HydrophobicContact CE1-CB 4.37Å; Y362-L365 HydrophobicContact CE1-CD1 4.12Å; Y362-L365 HydrophobicContact CE1-CG 3.93Å; Y362-L365 PolarHBondContact O-N 3.39Å; Y362-N366 PolarHBondContact O-N 3.18Å; Y362-N366 VanDerWaalsContact O-N 3.11Å; Y362-I367 PolarHBondContact N-O 3.4Å; Y362-E369 WeakPolarHBondContact CB-OE2 3.39Å; Y362-E369 WeakPolarHBondContact CD2-OE2 3.32Å; Y362-H372 HydrophobicContact CD1-CB 4.12Å; Y362-H372 AromaticContact CD1-CD2 3.75Å; Y362-H372 AromaticContact CD1-CE1 4Å; Y362-H372 AromaticContact CD1-CG 3.72Å; Y362-H372 AromaticContact CD1-ND1 3.98Å; Y362-H372 AromaticContact CD1-NE2 3.95Å; Y362-H372 AromaticContact CD2-CE1 3.85Å; Y362-H372 AromaticContact CD2-ND1 3.66Å; Y362-H372 AromaticContact CE1-CD2 3.64Å; Y362-H372 AromaticContact CE1-CE1 3.55Å; Y362-H372 AromaticContact CE1-CG 3.97Å; Y362-H372 AromaticContact CE1-NE2 3.38Å; Y362-H372 WeakPolarHBondContact CE1-NE2 3.28Å; Y362-H372 AromaticContact CE2-CE1 3.4Å; Y362-H372 VanDerWaalsContact CE2-CE1 3.4Å; Y362-H372 WeakPolarHBondContact CE2-CE1 3.17Å; Y362-H372 AromaticContact CE2-ND1 3.71Å; Y362-H372 HydrophobicContact CG-CB 4.04Å; Y362-H372 AromaticContact CG-CG 3.84Å; Y362-H372 AromaticContact CG-ND1 3.81Å; Y362-H372 AromaticContact CZ-CE1 3.25Å; Y362-H372 AromaticContact CZ-ND1 3.9Å; Y362-H372 AromaticContact CZ-NE2 3.5Å
363P98Very high95.2Very high8 Ų835.6 Ų35.65%0.05220%0.197CC..THydrogen-bonded Turntrans-66.9-29.6-163.327-34.3000113.4Y212 A268 K271 I272 V361 L365 N366Y212-P363 WeakPolarHBondContact CE2-O 3.46Å; Y212-P363 PolarHBondContact OH-O 3.3Å; A268-P363 HydrophobicContact CB-CB 3.93Å; K271-P363 HydrophobicContact CB-CB 4.4Å; K271-P363 HydrophobicContact CB-CG 4.27Å; K271-P363 HydrophobicContact CD-CB 4.29Å; K271-P363 HydrophobicContact CD-CG 3.94Å; K271-P363 HydrophobicContact CG-CG 4.03Å; I272-P363 HydrophobicContact CD1-CB 4.21Å; I272-P363 HydrophobicContact CD1-CG 4.49Å; I272-P363 HydrophobicContact CG1-CB 3.84Å; I272-P363 HydrophobicContact CG1-CG 3.66Å; V361-P363 WeakPolarHBondContact O-CD 3.29Å; P363-L365 VanDerWaalsContact C-N 3.31Å; P363-L365 PolarHBondContact O-N 2.88Å; P363-N366 PolarHBondContact O-N 3.06Å
364E98.5Very high95.4Very high21 Ų2137.9 Ų37.910%0.09821%0.205CC..THydrogen-bonded Turntrans-66.8-30.1-177-66.780.3175.600113.3F164 S219 L220 I272 Y362F164-E364 VanDerWaalsContact CE2-O 3.26Å; F164-E364 WeakPolarHBondContact CE2-O 3.49Å; S219-E364 WeakPolarHBondContact OG-CG 3.43Å; S219-E364 PolarHBondContact OG-OE1 2.66Å; S219-E364 VanDerWaalsContact OG-OE1 3.11Å; L220-E364 HydrophobicContact CD1-CB 4.48Å; L220-E364 HydrophobicContact CD2-CB 3.75Å; L220-E364 HydrophobicContact CD2-CG 4.49Å; L220-E364 HydrophobicContact CG-CB 3.93Å; I272-E364 HydrophobicContact CD1-CG 4.12Å; I272-E364 HydrophobicContact CG1-CG 4.11Å; Y362-E364 VanDerWaalsContact C-N 3.32Å; Y362-E364 HydrophobicContact CD1-CB 4.25Å; Y362-E364 HydrophobicContact CE1-CB 3.61Å; Y362-E364 HydrophobicContact CE1-CG 4.33Å; Y362-E364 WeakPolarHBondContact CE2-OE2 3.19Å; Y362-E364 PolarHBondContact O-N 3.02Å
365L98.4Very high95.8Very high0 Ų032.6 Ų32.60%018%0.177CC..THydrogen-bonded Turntrans-111.40177.9-65.7176.2000113.2Y112 A168 Y171 I172 L220 Y362 P363 I367 L375Y112-L365 PolarHBondContact OH-O 3.09Å; A168-L365 HydrophobicContact CB-CD2 3.8Å; Y171-L365 HydrophobicContact CD1-CD1 3.89Å; Y171-L365 HydrophobicContact CD1-CD2 4.19Å; Y171-L365 HydrophobicContact CD1-CG 4.46Å; Y171-L365 HydrophobicContact CE1-CD1 3.88Å; I172-L365 HydrophobicContact CD1-CD2 4.44Å; I172-L365 HydrophobicContact CG1-CD1 4.27Å; I172-L365 HydrophobicContact CG1-CD2 4.31Å; L220-L365 HydrophobicContact CD1-CD2 3.86Å; L220-L365 HydrophobicContact CD2-CD2 3.92Å; L220-L365 HydrophobicContact CD2-CG 4.12Å; Y362-L365 HydrophobicContact CD1-CB 3.97Å; Y362-L365 HydrophobicContact CD1-CD1 4.18Å; Y362-L365 HydrophobicContact CD1-CG 4.02Å; Y362-L365 HydrophobicContact CE1-CB 4.37Å; Y362-L365 HydrophobicContact CE1-CD1 4.12Å; Y362-L365 HydrophobicContact CE1-CG 3.93Å; Y362-L365 PolarHBondContact O-N 3.39Å; P363-L365 VanDerWaalsContact C-N 3.31Å; P363-L365 PolarHBondContact O-N 2.88Å; L365-I367 VanDerWaalsContact C-N 3.28Å; L365-I367 HydrophobicContact CB-CD1 4.16Å; L365-I367 HydrophobicContact CB-CG1 3.89Å; L365-I367 HydrophobicContact CD1-CD1 4.16Å; L365-I367 PolarHBondContact O-N 3.17Å; L365-L375 HydrophobicContact CD1-CD2 3.96Å
366N98.3Very high96.2Very high4 Ų433.5 Ų33.52%0.02117%0.173CC..THydrogen-bonded Turntrans47.849.4-175.9-1668.4000112.9F264 Y315 L316 S319 Y362 P363F264-N366 HydrophobicContact CE1-CB 4.03Å; F264-N366 WeakPolarHBondContact CE1-ND2 3.4Å; F264-N366 HydrophobicContact CE2-CB 3.99Å; F264-N366 VanDerWaalsContact CE2-CG 3.42Å; F264-N366 WeakPolarHBondContact CE2-OD1 3.47Å; F264-N366 HydrophobicContact CZ-CB 3.39Å; F264-N366 WeakPolarHBondContact CZ-ND2 3.41Å; F264-N366 WeakPolarHBondContact CZ-OD1 3.39Å; Y315-N366 WeakPolarHBondContact CE1-ND2 3.18Å; Y315-N366 WeakPolarHBondContact CE1-OD1 3.47Å; Y315-N366 PolarHBondContact OH-O 2.92Å; Y315-N366 PolarHBondContact OH-OD1 3.33Å; L316-N366 WeakPolarHBondContact CD2-ND2 3.38Å; S319-N366 PolarHBondContact OG-OD1 3.3Å; Y362-N366 PolarHBondContact O-N 3.18Å; Y362-N366 VanDerWaalsContact O-N 3.11Å; P363-N366 PolarHBondContact O-N 3.06Å
367I97.8Very high96.8Very high0 Ų036.2 Ų36.20%017%0.169CC..EExtended strand (participates in β ladder)trans-135.7158.4173.758.3174.6000109.3F40 L119 L120 Y362 L365 H372F40-I367 HydrophobicContact CE2-CG2 4.35Å; L119-I367 HydrophobicContact CD2-CD1 3.61Å; L120-I367 HydrophobicContact CD1-CG2 4.42Å; L120-I367 HydrophobicContact CD2-CB 4.14Å; L120-I367 HydrophobicContact CD2-CG2 4.14Å; L120-I367 HydrophobicContact CG-CG2 4.44Å; Y362-I367 PolarHBondContact N-O 3.4Å; L365-I367 VanDerWaalsContact C-N 3.28Å; L365-I367 HydrophobicContact CB-CD1 4.16Å; L365-I367 HydrophobicContact CB-CG1 3.89Å; L365-I367 HydrophobicContact CD1-CD1 4.16Å; L365-I367 PolarHBondContact O-N 3.17Å; I367-H372 HydrophobicContact CD1-CB 4.42Å
368P97Very high97.1Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-62.4140.9175.6-16.627.9000112.1A47 L48 L359 T360 K370 Y371 H372A47-P368 HydrophobicContact CB-CG 4.03Å; L48-P368 HydrophobicContact CB-CG 4.47Å; L48-P368 HydrophobicContact CD1-CB 4.49Å; L48-P368 HydrophobicContact CD1-CG 4.1Å; L359-P368 HydrophobicContact CB-CB 3.84Å; L359-P368 HydrophobicContact CD1-CB 3.88Å; L359-P368 HydrophobicContact CD1-CG 4.39Å; T360-P368 CarbonylContact O-C 3.47Å; T360-P368 VanDerWaalsContact O-CA 3.32Å; T360-P368 WeakPolarHBondContact O-CA 3.46Å; P368-K370 PolarHBondContact O-N 3Å; P368-K370 VanDerWaalsContact O-N 3.11Å; P368-Y371 HydrophobicContact CB-CD2 3.82Å; P368-Y371 HydrophobicContact CB-CE2 4.25Å; P368-Y371 HydrophobicContact CG-CD2 3.83Å; P368-Y371 HydrophobicContact CG-CE2 4.08Å; P368-Y371 PolarHBondContact O-N 3.26Å; P368-H372 PolarHBondContact O-N 3.37Å
369E96.3Very high97.3Very high52 Ų5234.7 Ų34.724%0.24316%0.162CC..Hα-helixtrans-51.6-38.8-176.7-177.164.1-144.700112.1T360 Y362 Y371 H372 Q373T360-E369 PolarHBondContact O-N 3.29Å; Y362-E369 WeakPolarHBondContact CB-OE2 3.39Å; Y362-E369 WeakPolarHBondContact CD2-OE2 3.32Å; E369-Y371 PolarHBondContact O-N 3.04Å; E369-Y371 VanDerWaalsContact O-N 3.16Å; E369-H372 WeakPolarHBondContact O-CB 3.39Å; E369-H372 PolarHBondContact O-N 3.44Å; E369-H372 IonicContact OE1-ND1 3.84Å; E369-Q373 HydrophobicContact CG-CG 4.42Å; E369-Q373 WeakPolarHBondContact O-CG 3.4Å; E369-Q373 PolarHBondContact O-N 2.98Å; E369-Q373 PolarHBondContact OE1-NE2 3.14Å
370K95.8Very high97.3Very high112 Ų11238 Ų3849%0.48718%0.179SC..Hα-helixtrans-49.9-40.1174178.7179.8174.2-179.30112.8D50 L359 P368 R374D50-K370 IonicContact OD1-NZ 2.78Å; D50-K370 PolarHBondContact OD1-NZ 2.88Å; D50-K370 IonicContact OD2-NZ 3.53Å; L359-K370 HydrophobicContact CD1-CD 4.16Å; P368-K370 PolarHBondContact O-N 3Å; P368-K370 VanDerWaalsContact O-N 3.11Å; K370-R374 PolarHBondContact O-N 2.61Å
371Y97.6Very high97.2Very high17 Ų1739.9 Ų39.97%0.06718%0.183CC..Hα-helixtrans-83-29.4-179.4-63.6-80.4000112.6A47 L52 L120 L359 P368 E369 R374 L375A47-Y371 HydrophobicContact CB-CE2 3.79Å; L52-Y371 WeakPolarHBondContact CD1-OH 3.37Å; L120-Y371 HydrophobicContact CD2-CD1 4.21Å; L120-Y371 HydrophobicContact CD2-CD2 3.59Å; L120-Y371 HydrophobicContact CD2-CE2 4.08Å; L120-Y371 HydrophobicContact CD2-CG 3.67Å; L120-Y371 WeakPolarHBondContact O-CE1 3.26Å; L359-Y371 HydrophobicContact CD1-CE2 4.45Å; P368-Y371 HydrophobicContact CB-CD2 3.82Å; P368-Y371 HydrophobicContact CB-CE2 4.25Å; P368-Y371 HydrophobicContact CG-CD2 3.83Å; P368-Y371 HydrophobicContact CG-CE2 4.08Å; P368-Y371 PolarHBondContact O-N 3.26Å; E369-Y371 PolarHBondContact O-N 3.04Å; E369-Y371 VanDerWaalsContact O-N 3.16Å; Y371-R374 WeakPolarHBondContact O-CB 3.15Å; Y371-R374 PolarHBondContact O-N 3.11Å; Y371-L375 PolarHBondContact O-N 2.65Å
372H97.7Very high97.1Very high1 Ų141.8 Ų41.81%0.00519%0.19CC..Hα-helixtrans-65.2-40.6168.2179.7-121.3000112Y171 Y362 I367 P368 E369 R374 L375 K376Y171-H372 AromaticContact CE1-NE2 3.77Å; Y171-H372 AromaticContact CZ-NE2 3.85Å; Y171-H372 PolarHBondContact OH-NE2 2.81Å; Y171-H372 VanDerWaalsContact OH-NE2 3.08Å; Y362-H372 HydrophobicContact CD1-CB 4.12Å; Y362-H372 AromaticContact CD1-CD2 3.75Å; Y362-H372 AromaticContact CD1-CE1 4Å; Y362-H372 AromaticContact CD1-CG 3.72Å; Y362-H372 AromaticContact CD1-ND1 3.98Å; Y362-H372 AromaticContact CD1-NE2 3.95Å; Y362-H372 AromaticContact CD2-CE1 3.85Å; Y362-H372 AromaticContact CD2-ND1 3.66Å; Y362-H372 AromaticContact CE1-CD2 3.64Å; Y362-H372 AromaticContact CE1-CE1 3.55Å; Y362-H372 AromaticContact CE1-CG 3.97Å; Y362-H372 AromaticContact CE1-NE2 3.38Å; Y362-H372 WeakPolarHBondContact CE1-NE2 3.28Å; Y362-H372 AromaticContact CE2-CE1 3.4Å; Y362-H372 VanDerWaalsContact CE2-CE1 3.4Å; Y362-H372 WeakPolarHBondContact CE2-CE1 3.17Å; Y362-H372 AromaticContact CE2-ND1 3.71Å; Y362-H372 HydrophobicContact CG-CB 4.04Å; Y362-H372 AromaticContact CG-CG 3.84Å; Y362-H372 AromaticContact CG-ND1 3.81Å; Y362-H372 AromaticContact CZ-CE1 3.25Å; Y362-H372 AromaticContact CZ-ND1 3.9Å; Y362-H372 AromaticContact CZ-NE2 3.5Å; I367-H372 HydrophobicContact CD1-CB 4.42Å; P368-H372 PolarHBondContact O-N 3.37Å; E369-H372 WeakPolarHBondContact O-CB 3.39Å; E369-H372 PolarHBondContact O-N 3.44Å; E369-H372 IonicContact OE1-ND1 3.84Å; H372-R374 VanDerWaalsContact C-N 3.3Å; H372-R374 PolarHBondContact O-N 3.26Å; H372-L375 VanDerWaalsContact O-CB 3.3Å; H372-L375 WeakPolarHBondContact O-CB 3.42Å; H372-L375 PolarHBondContact O-N 3.21Å; H372-L375 VanDerWaalsContact O-N 3.12Å; H372-K376 WeakPolarHBondContact CE1-CE 3.46Å; H372-K376 PolarHBondContact CE1-NZ 2.66Å; H372-K376 VanDerWaalsContact CE1-NZ 3.32Å; H372-K376 PolarHBondContact ND1-NZ 3.23Å; H372-K376 PolarHBondContact O-N 3.08Å
373Q97.6Very high96.5Very high84 Ų8444.1 Ų44.139%0.39321%0.211SC..Hα-helixtrans-62.9-38.2174.2-65.7-63.9-25.400111.8E369 K376 Q377E369-Q373 HydrophobicContact CG-CG 4.42Å; E369-Q373 WeakPolarHBondContact O-CG 3.4Å; E369-Q373 PolarHBondContact O-N 2.98Å; E369-Q373 PolarHBondContact OE1-NE2 3.14Å; Q373-K376 PolarHBondContact O-N 3.17Å; Q373-Q377 WeakPolarHBondContact O-CG 3.26Å; Q373-Q377 PolarHBondContact O-N 3.16Å
374R97.5Very high95.9Very high58 Ų5852.2 Ų52.222%0.21925%0.246CC..Hα-helixtrans-63.5-40.7171.4-176.2176.8177.2-94.6-21112.2L119 G122 D123 K370 Y371 H372 K376 Q377 I378L119-R374 PolarHBondContact O-NH1 3.39Å; G122-R374 VanDerWaalsContact C-CZ 3.43Å; G122-R374 VanDerWaalsContact C-NH1 3.33Å; G122-R374 VanDerWaalsContact CA-NH1 3.33Å; G122-R374 PolarHBondContact O-NH2 3.1Å; D123-R374 PolarHBondContact O-NH1 3.16Å; D123-R374 PolarHBondContact O-NH2 2.86Å; K370-R374 PolarHBondContact O-N 2.61Å; Y371-R374 WeakPolarHBondContact O-CB 3.15Å; Y371-R374 PolarHBondContact O-N 3.11Å; H372-R374 VanDerWaalsContact C-N 3.3Å; H372-R374 PolarHBondContact O-N 3.26Å; R374-K376 VanDerWaalsContact C-N 3.35Å; R374-K376 PolarHBondContact O-N 3.42Å; R374-Q377 WeakPolarHBondContact O-CB 3.36Å; R374-Q377 PolarHBondContact O-N 3.05Å; R374-Q377 VanDerWaalsContact O-N 3.12Å; R374-I378 WeakPolarHBondContact O-CG1 3.43Å; R374-I378 PolarHBondContact O-N 3.32Å
375L98.2Very high94.7Very high0 Ų061.9 Ų61.90%029%0.287CS..Hα-helixtrans-58.6-45.2174.9178.563.3000111.8L119 Y171 I172 L365 Y371 H372 Q377 I378 H379L119-L375 HydrophobicContact CD1-CB 4Å; L119-L375 HydrophobicContact CD1-CD1 4.37Å; L119-L375 HydrophobicContact CD2-CB 3.9Å; L119-L375 HydrophobicContact CD2-CD1 4.39Å; L119-L375 HydrophobicContact CD2-CD2 4.26Å; L119-L375 HydrophobicContact CD2-CG 4.42Å; Y171-L375 HydrophobicContact CD1-CD2 4.3Å; Y171-L375 HydrophobicContact CE1-CD2 4.1Å; I172-L375 HydrophobicContact CB-CD2 4.43Å; I172-L375 HydrophobicContact CG1-CD2 4.04Å; I172-L375 HydrophobicContact CG2-CD1 3.99Å; I172-L375 WeakPolarHBondContact O-CD1 3.29Å; L365-L375 HydrophobicContact CD1-CD2 3.96Å; Y371-L375 PolarHBondContact O-N 2.65Å; H372-L375 VanDerWaalsContact O-CB 3.3Å; H372-L375 WeakPolarHBondContact O-CB 3.42Å; H372-L375 PolarHBondContact O-N 3.21Å; H372-L375 VanDerWaalsContact O-N 3.12Å; L375-Q377 PolarHBondContact O-N 2.77Å; L375-I378 WeakPolarHBondContact O-CA 3.49Å; L375-I378 WeakPolarHBondContact O-CB 3.15Å; L375-I378 PolarHBondContact O-N 2.91Å; L375-H379 WeakPolarHBondContact CD1-NE2 3.45Å; L375-H379 PolarHBondContact O-N 3.38Å
376K97.6Very high94.6Very high79 Ų7965 Ų6534%0.34330%0.302SS..Hα-helixtrans-57-38.3174.4-68.7174.9179.7159.30112.2H372 Q373 R374 H379 L380H372-K376 WeakPolarHBondContact CE1-CE 3.46Å; H372-K376 PolarHBondContact CE1-NZ 2.66Å; H372-K376 VanDerWaalsContact CE1-NZ 3.32Å; H372-K376 PolarHBondContact ND1-NZ 3.23Å; H372-K376 PolarHBondContact O-N 3.08Å; Q373-K376 PolarHBondContact O-N 3.17Å; R374-K376 VanDerWaalsContact C-N 3.35Å; R374-K376 PolarHBondContact O-N 3.42Å; K376-H379 PolarHBondContact O-N 2.91Å; K376-L380 VanDerWaalsContact O-CG 3.31Å; K376-L380 WeakPolarHBondContact O-CG 3.3Å; K376-L380 PolarHBondContact O-N 2.88Å
377Q97.2Very high94.4Very high120 Ų12068.2 Ų68.256%0.56132%0.316SS*.Hα-helixtrans-66.5-37.6175.1-65.3172.7-1.500112.4Q373 R374 L375 L380 Q381Q373-Q377 WeakPolarHBondContact O-CG 3.26Å; Q373-Q377 PolarHBondContact O-N 3.16Å; R374-Q377 WeakPolarHBondContact O-CB 3.36Å; R374-Q377 PolarHBondContact O-N 3.05Å; R374-Q377 VanDerWaalsContact O-N 3.12Å; L375-Q377 PolarHBondContact O-N 2.77Å; Q377-L380 PolarHBondContact O-N 3.25Å; Q377-Q381 WeakPolarHBondContact O-CG 3.5Å; Q377-Q381 PolarHBondContact O-N 3.25Å; Q377-Q381 VanDerWaalsContact O-N 3.17Å
378I97.2Very high94.2Very high6 Ų671.9 Ų71.93%0.03133%0.334CS..Hα-helixtrans-63.7-46.9174.8-66.8168000110.2L119 R374 L375 L380 Q381 W382L119-I378 HydrophobicContact CD1-CD1 3.93Å; R374-I378 WeakPolarHBondContact O-CG1 3.43Å; R374-I378 PolarHBondContact O-N 3.32Å; L375-I378 WeakPolarHBondContact O-CA 3.49Å; L375-I378 WeakPolarHBondContact O-CB 3.15Å; L375-I378 PolarHBondContact O-N 2.91Å; I378-L380 VanDerWaalsContact C-N 3.33Å; I378-L380 PolarHBondContact O-N 3.14Å; I378-Q381 WeakPolarHBondContact O-CA 3.44Å; I378-Q381 WeakPolarHBondContact O-CB 3.4Å; I378-Q381 PolarHBondContact O-N 2.84Å; I378-W382 HydrophobicContact CG2-CD2 4.09Å; I378-W382 HydrophobicContact CG2-CH2 4.04Å; I378-W382 HydrophobicContact CG2-CZ2 3.51Å; I378-W382 PolarHBondContact O-N 3.48Å
379H97.2Very high94Very high24 Ų2476.2 Ų76.211%0.11135%0.354CS..Hα-helixtrans-58.1-44.1176.3-63.9168.7000112.2Y171 I172 L375 K376 Q381 W382 S383Y171-H379 PolarHBondContact O-CE1 3.33Å; Y171-H379 PolarHBondContact O-NE2 3.42Å; I172-H379 PolarHBondContact O-NE2 2.99Å; L375-H379 WeakPolarHBondContact CD1-NE2 3.45Å; L375-H379 PolarHBondContact O-N 3.38Å; K376-H379 PolarHBondContact O-N 2.91Å; H379-Q381 PolarHBondContact O-N 2.63Å; H379-W382 AromaticContact CD2-CE3 3.8Å; H379-W382 AromaticContact CD2-CZ3 3.65Å; H379-W382 PolarHBondContact O-N 3.11Å; H379-W382 VanDerWaalsContact O-N 3.1Å; H379-S383 PolarHBondContact O-N 3.05Å; H379-S383 PolarHBondContact O-OG 3.17Å
380L95.7Very high93.9Very high105 Ų10577.7 Ų77.755%0.5536%0.361SS..Hα-helixtrans-62.4-24.3174.5-72.9171.4000113.9K376 Q377 I378 S383 K384K376-L380 VanDerWaalsContact O-CG 3.31Å; K376-L380 WeakPolarHBondContact O-CG 3.3Å; K376-L380 PolarHBondContact O-N 2.88Å; Q377-L380 PolarHBondContact O-N 3.25Å; I378-L380 VanDerWaalsContact C-N 3.33Å; I378-L380 PolarHBondContact O-N 3.14Å; L380-S383 PolarHBondContact O-OG 3.01Å; L380-K384 WeakPolarHBondContact O-CD 3.45Å; L380-K384 WeakPolarHBondContact O-CG 3.34Å
381Q93.9Very high93.7Very high112 Ų11275.4 Ų75.452%0.52335%0.352SS..Hα-helixtrans-81.1-33.7174-70.8172.96.800111.7Q377 I378 H379Q377-Q381 WeakPolarHBondContact O-CG 3.5Å; Q377-Q381 PolarHBondContact O-N 3.25Å; Q377-Q381 VanDerWaalsContact O-N 3.17Å; I378-Q381 WeakPolarHBondContact O-CA 3.44Å; I378-Q381 WeakPolarHBondContact O-CB 3.4Å; I378-Q381 PolarHBondContact O-N 2.84Å; H379-Q381 PolarHBondContact O-N 2.63Å
382W92.9Very high93.5Very high41 Ų4179.6 Ų79.616%0.15537%0.372CS..Hα-helixtrans-69.3-39.4175.9-66.2-12.8000112.3L125 L173 D174 I378 H379 K384 K385L125-W382 HydrophobicContact CB-CH2 4.34Å; L125-W382 HydrophobicContact CB-CZ2 3.99Å; L125-W382 HydrophobicContact CD1-CH2 4.23Å; L173-W382 HydrophobicContact CD2-CH2 4.36Å; D174-W382 HydrophobicContact CB-CE3 3.94Å; D174-W382 HydrophobicContact CB-CZ3 4.05Å; I378-W382 HydrophobicContact CG2-CD2 4.09Å; I378-W382 HydrophobicContact CG2-CH2 4.04Å; I378-W382 HydrophobicContact CG2-CZ2 3.51Å; I378-W382 PolarHBondContact O-N 3.48Å; H379-W382 AromaticContact CD2-CE3 3.8Å; H379-W382 AromaticContact CD2-CZ3 3.65Å; H379-W382 PolarHBondContact O-N 3.11Å; H379-W382 VanDerWaalsContact O-N 3.1Å; W382-K384 PolarHBondContact O-N 3.01Å; W382-K385 PolarHBondContact O-N 2.83Å
383S86.5Confident93.1Very high83 Ų8385.6 Ų85.658%0.5840%0.401SS*.THydrogen-bonded Turntrans-69.6-13.3178.1630000114.7H379 L380H379-S383 PolarHBondContact O-N 3.05Å; H379-S383 PolarHBondContact O-OG 3.17Å; L380-S383 PolarHBondContact O-OG 3.01Å
384K85.2Confident92.8Very high177 Ų17785.8 Ų85.877%0.7740%0.401SS*.THydrogen-bonded Turntrans-89-12.2175-71.9176.6-176.1-178.80113.7L380 W382L380-K384 WeakPolarHBondContact O-CD 3.45Å; L380-K384 WeakPolarHBondContact O-CG 3.34Å; W382-K384 PolarHBondContact O-N 3.01Å
385K74Confident92.3Very high224 Ų22488.3 Ų88.397%0.97442%0.418SS*.  trans-93.30174.9-68-176.7179-177.20109.3W382W382-K385 PolarHBondContact O-N 2.83Å

Retrieved 385 of 385 residues in 533.3 ms (Link to these results)

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