A0A3Q0KSP3_SCHMA Loading...

Negative elongation factor D

AlphaFold DB , UniProt , Accession A0A3Q0KSP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.3Low78.7Confident87 Ų8789.5 Ų89.543%0.42943%0.429SS..  0-52.60-152.1-140.7-67.700111.4E3 A4 R5 N31M1-E3 PolarHBondContact O-N 3.25Å; M1-A4 PolarHBondContact O-N 3.01Å; M1-R5 PolarHBondContact O-N 2.81Å; M1-N31 HydrophobicContact CE-CB 4.1Å; M1-N31 HydrophobicContact CG-CB 4.18Å
2E76.7Confident78.5Confident166 Ų16683.4 Ų83.478%0.77640%0.4SS*.Hα-helixtrans-60.2-42.3176.7-70.8-176.7165.500113.1R5 A6E2-R5 PolarHBondContact O-N 3.24Å; E2-A6 WeakPolarHBondContact O-CB 3.39Å; E2-A6 PolarHBondContact O-N 3.44Å
3E79.7Confident78.4Confident165 Ų16577.1 Ų77.177%0.77137%0.37SS*.Hα-helixtrans-60.3-46.5174-69.2172.2175.800112.5M1 R5 A6 V7M1-E3 PolarHBondContact O-N 3.25Å; E3-R5 VanDerWaalsContact C-N 3.35Å; E3-R5 PolarHBondContact O-N 2.81Å; E3-A6 WeakPolarHBondContact O-CA 3.2Å; E3-A6 WeakPolarHBondContact O-CB 3.48Å; E3-A6 PolarHBondContact O-N 2.98Å; E3-A6 VanDerWaalsContact O-N 3.09Å; E3-V7 WeakPolarHBondContact O-CG2 3.29Å; E3-V7 PolarHBondContact O-N 2.88Å
4A77.9Confident78.6Confident9 Ų977.6 Ų77.67%0.07438%0.375CS..Hα-helixtrans-61.9-41.2177.100000112.2M1 A6 V7 L8 A24 C27 I28M1-A4 PolarHBondContact O-N 3.01Å; A4-A6 VanDerWaalsContact C-N 3.34Å; A4-V7 PolarHBondContact O-N 2.76Å; A4-L8 PolarHBondContact O-N 2.86Å; A4-L8 VanDerWaalsContact O-N 3.08Å; A4-A24 HydrophobicContact CB-CB 4.18Å; A4-C27 HydrophobicContact CB-CB 3.92Å; A4-I28 HydrophobicContact CB-CD1 4.44Å; A4-I28 HydrophobicContact CB-CG1 4.08Å
5R81.1Confident78.4Confident78 Ų7877.3 Ų77.329%0.29438%0.375SS..Hα-helixtrans-64-38.6172.1-74.4176.6170.9168.1-1.6111.8M1 E2 E3 V7 L8 K9 I28 E39 L43M1-R5 PolarHBondContact O-N 2.81Å; E2-R5 PolarHBondContact O-N 3.24Å; E3-R5 VanDerWaalsContact C-N 3.35Å; E3-R5 PolarHBondContact O-N 2.81Å; R5-V7 VanDerWaalsContact C-N 3.35Å; R5-L8 PolarHBondContact O-N 3.29Å; R5-K9 VanDerWaalsContact O-CB 3.31Å; R5-K9 WeakPolarHBondContact O-CB 3.13Å; R5-K9 VanDerWaalsContact O-CG 3.3Å; R5-K9 WeakPolarHBondContact O-CG 3.24Å; R5-K9 PolarHBondContact O-N 3.32Å; R5-I28 HydrophobicContact CG-CD1 4.11Å; R5-I28 HydrophobicContact CG-CG1 4.46Å; R5-E39 IonicContact CZ-OE1 3.03Å; R5-E39 IonicContact NE-OE1 2.7Å; R5-E39 PolarHBondContact NE-OE1 3.44Å; R5-E39 IonicContact NH2-OE1 2.69Å; R5-E39 PolarHBondContact NH2-OE1 2.84Å; R5-E39 IonicContact NH2-OE2 3.44Å; R5-E39 PolarHBondContact NH2-OE2 2.84Å; R5-L43 HydrophobicContact CG-CD1 4.27Å
6A80.5Confident78.2Confident56 Ų5679.2 Ų79.246%0.46338%0.383SS..Hα-helixtrans-65-39.3176.600000111.5E2 E3 A4 K9 K10E2-A6 WeakPolarHBondContact O-CB 3.39Å; E2-A6 PolarHBondContact O-N 3.44Å; E3-A6 WeakPolarHBondContact O-CA 3.2Å; E3-A6 WeakPolarHBondContact O-CB 3.48Å; E3-A6 PolarHBondContact O-N 2.98Å; E3-A6 VanDerWaalsContact O-N 3.09Å; A4-A6 VanDerWaalsContact C-N 3.34Å; A6-K9 PolarHBondContact O-N 2.81Å; A6-K10 WeakPolarHBondContact O-CG 3.25Å; A6-K10 PolarHBondContact O-N 3.24Å
7V81.5Confident78Confident40 Ų4081.9 Ų81.924%0.24240%0.395CS..Hα-helixtrans-61.2-50.3173.9172.80000111E3 A4 R5 K9 K10 A13 A24E3-V7 WeakPolarHBondContact O-CG2 3.29Å; E3-V7 PolarHBondContact O-N 2.88Å; A4-V7 PolarHBondContact O-N 2.76Å; R5-V7 VanDerWaalsContact C-N 3.35Å; V7-K9 VanDerWaalsContact C-N 3.29Å; V7-K9 PolarHBondContact O-N 3.39Å; V7-K10 WeakPolarHBondContact O-CB 3.39Å; V7-K10 PolarHBondContact O-N 3.44Å; V7-A13 WeakPolarHBondContact O-CB 3.47Å; V7-A24 HydrophobicContact CB-CB 4.39Å; V7-A24 HydrophobicContact CG1-CB 4.19Å
8L81.1Confident78.1Confident0 Ų082.8 Ų82.80%041%0.408CS..Hα-helixtrans-69.2-24.1179.6-61.3-170.5000113.8A4 R5 K10 L21 A24 I25 I28 A40 L43 L44 S47A4-L8 PolarHBondContact O-N 2.86Å; A4-L8 VanDerWaalsContact O-N 3.08Å; R5-L8 PolarHBondContact O-N 3.29Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-L21 HydrophobicContact CD2-CD2 3.66Å; L8-A24 HydrophobicContact CD2-CB 3.95Å; L8-A24 HydrophobicContact CG-CB 4.2Å; L8-I25 HydrophobicContact CD1-CG1 4.35Å; L8-I25 HydrophobicContact CD2-CG1 4.31Å; L8-I28 HydrophobicContact CD1-CD1 3.38Å; L8-I28 HydrophobicContact CG-CD1 4.2Å; L8-A40 HydrophobicContact CD1-CB 3.67Å; L8-L43 HydrophobicContact CB-CB 4.19Å; L8-L44 HydrophobicContact CB-CD2 4.46Å; L8-L44 HydrophobicContact CD2-CD1 4.42Å; L8-L44 HydrophobicContact CD2-CD2 3.87Å; L8-L44 HydrophobicContact CD2-CG 4.15Å; L8-S47 WeakPolarHBondContact O-CB 3.46Å; L8-S47 PolarHBondContact O-OG 2.74Å
9K83.1Confident78.2Confident136 Ų13681.5 Ų81.559%0.59141%0.408SS*.THydrogen-bonded Turntrans-81.8-8.8174.3-77.9-175.9177.7-171.80113.7R5 A6 V7 K11 L43R5-K9 VanDerWaalsContact O-CB 3.31Å; R5-K9 WeakPolarHBondContact O-CB 3.13Å; R5-K9 VanDerWaalsContact O-CG 3.3Å; R5-K9 WeakPolarHBondContact O-CG 3.24Å; R5-K9 PolarHBondContact O-N 3.32Å; A6-K9 PolarHBondContact O-N 2.81Å; V7-K9 VanDerWaalsContact C-N 3.29Å; V7-K9 PolarHBondContact O-N 3.39Å; K9-K11 PolarHBondContact O-N 3.16Å; K9-L43 HydrophobicContact CD-CD2 4.18Å; K9-L43 HydrophobicContact CG-CD2 3.77Å
10K79.1Confident78.4Confident124 Ų12482.5 Ų82.554%0.53941%0.413SS..SBendtrans-60140.4173.4-74.2-175.4177.2-176.20108.6A6 V7 L8 D12 A13 S47A6-K10 WeakPolarHBondContact O-CG 3.25Å; A6-K10 PolarHBondContact O-N 3.24Å; V7-K10 WeakPolarHBondContact O-CB 3.39Å; V7-K10 PolarHBondContact O-N 3.44Å; L8-K10 VanDerWaalsContact C-N 3.34Å; K10-D12 PolarHBondContact O-N 2.69Å; K10-A13 HydrophobicContact CB-CB 4.29Å; K10-A13 WeakPolarHBondContact O-CB 3.44Å; K10-A13 PolarHBondContact O-N 3.26Å; K10-S47 WeakPolarHBondContact O-CB 3.26Å
11K76.5Confident78.5Confident124 Ų12479.4 Ų79.454%0.53940%0.398SS..THydrogen-bonded Turntrans-56.5132.3177.9176176.4161.4168.20109.7K9 A13 Q49K9-K11 PolarHBondContact O-N 3.16Å; K11-A13 PolarHBondContact O-N 2.99Å; K11-Q49 HydrophobicContact CD-CG 4.41Å; K11-Q49 HydrophobicContact CG-CG 4.27Å
12D76.2Confident79.2Confident16 Ų1677.5 Ų77.59%0.08640%0.395CS..THydrogen-bonded Turntrans56.128.1-178-61.3-48.2000114K10 I14 L15 S47 Q49 G50K10-D12 PolarHBondContact O-N 2.69Å; D12-I14 PolarHBondContact O-N 3.31Å; D12-L15 HydrophobicContact CB-CD1 4.1Å; D12-L15 HydrophobicContact CB-CG 4.43Å; D12-L15 WeakPolarHBondContact O-CB 3.27Å; D12-L15 PolarHBondContact O-N 2.7Å; D12-S47 PolarHBondContact N-O 2.96Å; D12-Q49 WeakPolarHBondContact OD1-CA 3.21Å; D12-Q49 PolarHBondContact OD1-N 3.34Å; D12-G50 PolarHBondContact OD1-N 3.16Å
13A77.9Confident79.6Confident1 Ų175.9 Ų75.91%0.00839%0.388CS..G310 helixtrans-52.5-31.2-17900000113.3V7 K10 K11 L15 E16 L21 L44V7-A13 WeakPolarHBondContact O-CB 3.47Å; K10-A13 HydrophobicContact CB-CB 4.29Å; K10-A13 WeakPolarHBondContact O-CB 3.44Å; K10-A13 PolarHBondContact O-N 3.26Å; K11-A13 PolarHBondContact O-N 2.99Å; A13-L15 PolarHBondContact O-N 2.95Å; A13-L15 VanDerWaalsContact O-N 3.09Å; A13-E16 VanDerWaalsContact O-CB 3.26Å; A13-E16 WeakPolarHBondContact O-CB 3.41Å; A13-E16 PolarHBondContact O-N 2.97Å; A13-L21 WeakPolarHBondContact O-CD1 3.29Å; A13-L21 WeakPolarHBondContact O-CD2 3.29Å; A13-L44 HydrophobicContact CB-CD2 4.02Å
14I80Confident79.8Confident85 Ų8568.4 Ų68.444%0.43635%0.354SS..G310 helixtrans-58-21.8176.6-161.7167.8000113.8D12 L44 Y48D12-I14 PolarHBondContact O-N 3.31Å; I14-L44 HydrophobicContact CB-CD2 4.18Å; I14-Y48 HydrophobicContact CG2-CD2 3.37Å; I14-Y48 HydrophobicContact CG2-CE2 3.86Å; I14-Y48 HydrophobicContact CG2-CG 4.22Å
15L75.7Confident80.1Confident72 Ų7270.1 Ų70.138%0.37736%0.361SS..G310 helixtrans-90.3-3.6178.5-55.7-179.1000113.2D12 A13 Y48 I52 E53D12-L15 HydrophobicContact CB-CD1 4.1Å; D12-L15 HydrophobicContact CB-CG 4.43Å; D12-L15 WeakPolarHBondContact O-CB 3.27Å; D12-L15 PolarHBondContact O-N 2.7Å; A13-L15 PolarHBondContact O-N 2.95Å; A13-L15 VanDerWaalsContact O-N 3.09Å; L15-Y48 HydrophobicContact CD1-CE2 4.49Å; L15-Y48 HydrophobicContact CD2-CE2 4.44Å; L15-Y48 HydrophobicContact CG-CE2 4.47Å; L15-I52 HydrophobicContact CD1-CB 4.33Å; L15-I52 HydrophobicContact CD1-CD1 4.48Å; L15-E53 HydrophobicContact CD1-CG 4.44Å; L15-E53 HydrophobicContact CD2-CG 4.37Å
16E75.1Confident80.3Confident108 Ų10870.3 Ų70.351%0.50537%0.368SS..SBendtrans-72.1170.8176.7-71.8-75.4-177.700112.5A13A13-E16 VanDerWaalsContact O-CB 3.26Å; A13-E16 WeakPolarHBondContact O-CB 3.41Å; A13-E16 PolarHBondContact O-N 2.97Å
17H76.1Confident80.5Confident125 Ų12569.9 Ų69.958%0.57936%0.361SS*.  trans-54.6127.9-176.8-161.4-88.8000111.8S19 M20 L21H17-S19 PolarHBondContact ND1-OG 3.03Å; H17-S19 PolarHBondContact O-N 3.48Å; H17-M20 HydrophobicContact CB-CG 4.41Å; H17-M20 PolarHBondContact O-N 3.19Å; H17-L21 PolarHBondContact O-N 3.37Å
18P78.7Confident80.6Confident99 Ų9968 Ų6864%0.64335%0.35SS*.Hα-helixtrans-55.9-29.8-171.6-28.533.8000114.8A22P18-A22 WeakPolarHBondContact O-CB 3.35Å; P18-A22 PolarHBondContact O-N 3.42Å
19S81.4Confident80.7Confident58 Ų5872.7 Ų72.741%0.40637%0.368SS..Hα-helixtrans-68.3-40.6177.862.80000113H17 L21 A22 E23H17-S19 PolarHBondContact ND1-OG 3.03Å; H17-S19 PolarHBondContact O-N 3.48Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-A22 PolarHBondContact O-N 3.46Å; S19-E23 WeakPolarHBondContact O-CG 3.43Å; S19-E23 PolarHBondContact O-N 2.83Å
20M81.2Confident80.6Confident101 Ų10175.6 Ų75.650%0.49838%0.376SS..Hα-helixtrans-66.3-40.3179.3-69.3-70-72.600110.7H17 E23 A24H17-M20 HydrophobicContact CB-CG 4.41Å; H17-M20 PolarHBondContact O-N 3.19Å; M20-E23 PolarHBondContact O-N 3.47Å; M20-A24 WeakPolarHBondContact O-CB 3.34Å; M20-A24 PolarHBondContact O-N 3.27Å
21L81.3Confident80.7Confident18 Ų1873 Ų739%0.09437%0.368CS..Hα-helixtrans-64.1-46.7174-75.2172.3000111.6L8 A13 H17 S19 E23 A24 I25 L44L8-L21 HydrophobicContact CD2-CD2 3.66Å; A13-L21 WeakPolarHBondContact O-CD1 3.29Å; A13-L21 WeakPolarHBondContact O-CD2 3.29Å; H17-L21 PolarHBondContact O-N 3.37Å; S19-L21 VanDerWaalsContact C-N 3.33Å; L21-E23 VanDerWaalsContact C-N 3.31Å; L21-E23 PolarHBondContact O-N 2.84Å; L21-A24 PolarHBondContact O-N 2.98Å; L21-I25 HydrophobicContact CB-CD1 4.49Å; L21-I25 VanDerWaalsContact O-CB 3.29Å; L21-I25 WeakPolarHBondContact O-CB 3.33Å; L21-I25 WeakPolarHBondContact O-CD1 3.33Å; L21-I25 WeakPolarHBondContact O-CG1 3.1Å; L21-I25 PolarHBondContact O-N 3.47Å; L21-L44 HydrophobicContact CD2-CD2 3.98Å
22A83Confident80.9Confident46 Ų4669.3 Ų69.338%0.3836%0.355SS..Hα-helixtrans-57.8-44.8176.800000111.4P18 S19 I25 D26P18-A22 WeakPolarHBondContact O-CB 3.35Å; P18-A22 PolarHBondContact O-N 3.42Å; S19-A22 PolarHBondContact O-N 3.46Å; A22-I25 PolarHBondContact O-N 2.96Å; A22-D26 VanDerWaalsContact O-CB 3.24Å; A22-D26 WeakPolarHBondContact O-CB 3.43Å; A22-D26 VanDerWaalsContact O-CG 3.26Å; A22-D26 PolarHBondContact O-N 3.38Å
23E85.3Confident81Confident133 Ų13373.4 Ų73.462%0.62138%0.382SS*.Hα-helixtrans-63.3-44176.5-75.6-179.2-171.700112.8S19 M20 L21 D26 C27S19-E23 WeakPolarHBondContact O-CG 3.43Å; S19-E23 PolarHBondContact O-N 2.83Å; M20-E23 PolarHBondContact O-N 3.47Å; L21-E23 VanDerWaalsContact C-N 3.31Å; L21-E23 PolarHBondContact O-N 2.84Å; E23-D26 PolarHBondContact O-N 2.99Å; E23-C27 VanDerWaalsContact O-CB 3.29Å; E23-C27 WeakPolarHBondContact O-CB 3.32Å; E23-C27 PolarHBondContact O-N 3.41Å
24A83.3Confident80.8Confident7 Ų782.1 Ų82.16%0.05842%0.423CS..Hα-helixtrans-65.4-43.9177.900000111.9A4 V7 L8 M20 L21 C27 I28A4-A24 HydrophobicContact CB-CB 4.18Å; V7-A24 HydrophobicContact CB-CB 4.39Å; V7-A24 HydrophobicContact CG1-CB 4.19Å; L8-A24 HydrophobicContact CD2-CB 3.95Å; L8-A24 HydrophobicContact CG-CB 4.2Å; M20-A24 WeakPolarHBondContact O-CB 3.34Å; M20-A24 PolarHBondContact O-N 3.27Å; L21-A24 PolarHBondContact O-N 2.98Å; A24-C27 PolarHBondContact O-N 3.41Å; A24-I28 WeakPolarHBondContact O-CG1 3.38Å; A24-I28 PolarHBondContact O-N 2.89Å
25I84.2Confident80.8Confident45 Ų4581.7 Ų81.723%0.23142%0.424CS..Hα-helixtrans-62.3-47175.9-68.7165.1000109.9L8 L21 A22 C27 I28 R29 A40 L44L8-I25 HydrophobicContact CD1-CG1 4.35Å; L8-I25 HydrophobicContact CD2-CG1 4.31Å; L21-I25 HydrophobicContact CB-CD1 4.49Å; L21-I25 VanDerWaalsContact O-CB 3.29Å; L21-I25 WeakPolarHBondContact O-CB 3.33Å; L21-I25 WeakPolarHBondContact O-CD1 3.33Å; L21-I25 WeakPolarHBondContact O-CG1 3.1Å; L21-I25 PolarHBondContact O-N 3.47Å; A22-I25 PolarHBondContact O-N 2.96Å; I25-C27 VanDerWaalsContact C-N 3.32Å; I25-C27 PolarHBondContact O-N 2.82Å; I25-I28 PolarHBondContact O-N 3.23Å; I25-R29 HydrophobicContact CG2-CG 4.17Å; I25-R29 WeakPolarHBondContact O-CB 3.39Å; I25-R29 WeakPolarHBondContact O-CG 3.5Å; I25-R29 PolarHBondContact O-N 3.02Å; I25-A40 HydrophobicContact CG1-CB 4.27Å; I25-L44 HydrophobicContact CD1-CD1 4.29Å
26D85.3Confident80.9Confident82 Ų8278.3 Ų78.344%0.43941%0.406SS..Hα-helixtrans-65.2-36.1179.1-76.7-18000112A22 E23 R29 Y30A22-D26 VanDerWaalsContact O-CB 3.24Å; A22-D26 WeakPolarHBondContact O-CB 3.43Å; A22-D26 VanDerWaalsContact O-CG 3.26Å; A22-D26 PolarHBondContact O-N 3.38Å; E23-D26 PolarHBondContact O-N 2.99Å; D26-R29 PolarHBondContact O-N 2.83Å; D26-R29 IonicContact OD1-CZ 3.81Å; D26-R29 IonicContact OD1-NH1 2.81Å; D26-R29 PolarHBondContact OD1-NH1 3.09Å; D26-Y30 VanDerWaalsContact O-CB 3.25Å; D26-Y30 WeakPolarHBondContact O-CB 3.31Å; D26-Y30 PolarHBondContact O-N 2.96Å
27C84.6Confident81.1Confident47 Ų4777.8 Ų77.832%0.31840%0.404SS..Hα-helixtrans-62.8-41.9172.7-171.30000112.2A4 E23 A24 I25 N31A4-C27 HydrophobicContact CB-CB 3.92Å; E23-C27 VanDerWaalsContact O-CB 3.29Å; E23-C27 WeakPolarHBondContact O-CB 3.32Å; E23-C27 PolarHBondContact O-N 3.41Å; A24-C27 PolarHBondContact O-N 3.41Å; I25-C27 VanDerWaalsContact C-N 3.32Å; I25-C27 PolarHBondContact O-N 2.82Å; C27-N31 PolarHBondContact O-N 3.47Å; C27-N31 PolarHBondContact O-ND2 3.08Å
28I82.7Confident81.3Confident1 Ų176.5 Ų76.51%0.00540%0.401CS..Hα-helixtrans-70-42.5177.1-68.4172.2000110.6A4 R5 L8 A24 I25 N31 N32 G36A4-I28 HydrophobicContact CB-CD1 4.44Å; A4-I28 HydrophobicContact CB-CG1 4.08Å; R5-I28 HydrophobicContact CG-CD1 4.11Å; R5-I28 HydrophobicContact CG-CG1 4.46Å; L8-I28 HydrophobicContact CD1-CD1 3.38Å; L8-I28 HydrophobicContact CG-CD1 4.2Å; A24-I28 WeakPolarHBondContact O-CG1 3.38Å; A24-I28 PolarHBondContact O-N 2.89Å; I25-I28 PolarHBondContact O-N 3.23Å; I28-N31 PolarHBondContact O-N 3.33Å; I28-N32 PolarHBondContact O-N 3.35Å; I28-G36 WeakPolarHBondContact CG2-O 3.43Å
29R83.1Confident81.5Confident98 Ų9873.6 Ų73.637%0.3738%0.379SS..Hα-helixtrans-63.4-41.1177.1-72.2170.865-161.58.8112.8I25 D26 N31 N32 P33 H37I25-R29 HydrophobicContact CG2-CG 4.17Å; I25-R29 WeakPolarHBondContact O-CB 3.39Å; I25-R29 WeakPolarHBondContact O-CG 3.5Å; I25-R29 PolarHBondContact O-N 3.02Å; D26-R29 PolarHBondContact O-N 2.83Å; D26-R29 IonicContact OD1-CZ 3.81Å; D26-R29 IonicContact OD1-NH1 2.81Å; D26-R29 PolarHBondContact OD1-NH1 3.09Å; R29-N31 VanDerWaalsContact C-N 3.28Å; R29-N31 PolarHBondContact O-N 3.43Å; R29-N32 CarbonylContact O-C 3.52Å; R29-N32 VanDerWaalsContact O-C 3.24Å; R29-P33 VanDerWaalsContact O-CA 3.29Å; R29-P33 WeakPolarHBondContact O-CA 3.39Å; R29-H37 VanDerWaalsContact CD-CE1 3.48Å; R29-H37 WeakPolarHBondContact CD-CE1 3.34Å; R29-H37 VanDerWaalsContact CZ-CE1 3.43Å; R29-H37 PolarHBondContact NE-CE1 2.99Å; R29-H37 PolarHBondContact NE-NE2 2.86Å
30Y83Confident81.6Confident197 Ų19771 Ų7177%0.77336%0.361SS*.Hα-helixtrans-62-39.8177.4-177-95.8000111.3D26D26-Y30 VanDerWaalsContact O-CB 3.25Å; D26-Y30 WeakPolarHBondContact O-CB 3.31Å; D26-Y30 PolarHBondContact O-N 2.96Å
31N80.8Confident81.6Confident69 Ų6972.3 Ų72.337%0.36937%0.366SS..Hα-helixtrans-82.2-31.2-179.1-69.9-50.4000113.4M1 C27 I28 R29M1-N31 HydrophobicContact CE-CB 4.1Å; M1-N31 HydrophobicContact CG-CB 4.18Å; C27-N31 PolarHBondContact O-N 3.47Å; C27-N31 PolarHBondContact O-ND2 3.08Å; I28-N31 PolarHBondContact O-N 3.33Å; R29-N31 VanDerWaalsContact C-N 3.28Å; R29-N31 PolarHBondContact O-N 3.43Å
32N80.4Confident81.8Confident48 Ų4877.4 Ų77.426%0.25739%0.389SS..  trans-127.881.2176.2-84.5-24.7000110.6I28 R29 Q34 G36 E39I28-N32 PolarHBondContact O-N 3.35Å; R29-N32 CarbonylContact O-C 3.52Å; R29-N32 VanDerWaalsContact O-C 3.24Å; N32-Q34 VanDerWaalsContact C-N 3.28Å; N32-Q34 PolarHBondContact O-N 3.34Å; N32-G36 WeakPolarHBondContact O-CA 3.39Å; N32-G36 PolarHBondContact O-N 2.98Å; N32-E39 PolarHBondContact ND2-OE2 2.87Å
33P77.8Confident81.8Confident101 Ų10176 Ų7666%0.65638%0.375SS*.THydrogen-bonded Turntrans-64.9-29.5-175.6-22.833000114.3R29R29-P33 VanDerWaalsContact O-CA 3.29Å; R29-P33 WeakPolarHBondContact O-CA 3.39Å
34Q74Confident81.8Confident185 Ų18570.7 Ų70.786%0.86435%0.351SS*.THydrogen-bonded Turntrans-86.6-39.6-175.6-67.2-174-7.200113.1N32N32-Q34 VanDerWaalsContact C-N 3.28Å; N32-Q34 PolarHBondContact O-N 3.34Å
35T80.3Confident81.8Confident76 Ų7675.1 Ų75.147%0.46638%0.377SS..THydrogen-bonded Turntrans-116.6-11-173.956.10000113.6H37 N38 E39T35-H37 PolarHBondContact O-N 2.97Å; T35-N38 PolarHBondContact O-N 3.38Å; T35-N38 VanDerWaalsContact O-N 3.16Å; T35-E39 WeakPolarHBondContact O-CB 3.13Å; T35-E39 PolarHBondContact O-N 3.44Å
36G76.6Confident81.8Confident0 Ų080.5 Ų80.50%040%0.401CS..Hα-helixtrans-65.7-25.5-171.900000114I28 N32 A40I28-G36 WeakPolarHBondContact CG2-O 3.43Å; N32-G36 WeakPolarHBondContact O-CA 3.39Å; N32-G36 PolarHBondContact O-N 2.98Å; G36-A40 VanDerWaalsContact O-CB 3.27Å; G36-A40 WeakPolarHBondContact O-CB 3.27Å; G36-A40 PolarHBondContact O-N 3.27Å
37H80Confident81.7Confident98 Ų9877.2 Ų77.245%0.45439%0.385SS..Hα-helixtrans-64.7-55.5169.9-80-70.5000111.4R29 T35 E39 A40 E41R29-H37 VanDerWaalsContact CD-CE1 3.48Å; R29-H37 WeakPolarHBondContact CD-CE1 3.34Å; R29-H37 VanDerWaalsContact CZ-CE1 3.43Å; R29-H37 PolarHBondContact NE-CE1 2.99Å; R29-H37 PolarHBondContact NE-NE2 2.86Å; T35-H37 PolarHBondContact O-N 2.97Å; H37-E39 VanDerWaalsContact C-N 3.28Å; H37-E39 PolarHBondContact O-N 3.26Å; H37-A40 PolarHBondContact O-N 2.84Å; H37-E41 WeakPolarHBondContact O-CB 3.31Å; H37-E41 PolarHBondContact O-N 2.81Å
38N81.4Confident81.6Confident97 Ų9779.9 Ų79.952%0.51939%0.389SS..Hα-helixtrans-62.1-39.8179.2-62.95.8000111T35 E41 E42T35-N38 PolarHBondContact O-N 3.38Å; T35-N38 VanDerWaalsContact O-N 3.16Å; N38-E41 PolarHBondContact O-N 3.35Å; N38-E42 WeakPolarHBondContact O-CB 3.24Å; N38-E42 WeakPolarHBondContact O-CG 3.37Å; N38-E42 PolarHBondContact O-N 3.11Å
39E81.7Confident81.4Confident38 Ų3886 Ų8618%0.17842%0.418CS..Hα-helixtrans-62.6-45.7177.5-170.5-174.3164.500111.2R5 N32 T35 H37 L43R5-E39 IonicContact CZ-OE1 3.03Å; R5-E39 IonicContact NE-OE1 2.7Å; R5-E39 PolarHBondContact NE-OE1 3.44Å; R5-E39 IonicContact NH2-OE1 2.69Å; R5-E39 PolarHBondContact NH2-OE1 2.84Å; R5-E39 IonicContact NH2-OE2 3.44Å; R5-E39 PolarHBondContact NH2-OE2 2.84Å; N32-E39 PolarHBondContact ND2-OE2 2.87Å; T35-E39 WeakPolarHBondContact O-CB 3.13Å; T35-E39 PolarHBondContact O-N 3.44Å; H37-E39 VanDerWaalsContact C-N 3.28Å; H37-E39 PolarHBondContact O-N 3.26Å; E39-L43 HydrophobicContact CG-CD1 4.2Å; E39-L43 WeakPolarHBondContact O-CB 3.5Å; E39-L43 WeakPolarHBondContact O-CG 3.49Å; E39-L43 PolarHBondContact O-N 3.48Å
40A82.8Confident81.1Confident4 Ų481.7 Ų81.73%0.03340%0.403CS..Hα-helixtrans-65.9-39.2177.300000112.3L8 I25 G36 H37 L44L8-A40 HydrophobicContact CD1-CB 3.67Å; I25-A40 HydrophobicContact CG1-CB 4.27Å; G36-A40 VanDerWaalsContact O-CB 3.27Å; G36-A40 WeakPolarHBondContact O-CB 3.27Å; G36-A40 PolarHBondContact O-N 3.27Å; H37-A40 PolarHBondContact O-N 2.84Å; A40-L44 WeakPolarHBondContact O-CB 3.46Å; A40-L44 WeakPolarHBondContact O-CG 3.3Å; A40-L44 PolarHBondContact O-N 3.04Å
41E82.8Confident80.6Confident128 Ų12874.6 Ų74.660%0.59839%0.386SS*.Hα-helixtrans-64.3-50.4175.9-174.2179.6175.500111.7H37 N38 L43 L44 V45H37-E41 WeakPolarHBondContact O-CB 3.31Å; H37-E41 PolarHBondContact O-N 2.81Å; N38-E41 PolarHBondContact O-N 3.35Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.4Å; E41-L44 PolarHBondContact O-N 3.45Å; E41-V45 HydrophobicContact CG-CG2 4.42Å; E41-V45 WeakPolarHBondContact O-CB 3.36Å; E41-V45 VanDerWaalsContact O-CG2 3.27Å; E41-V45 WeakPolarHBondContact O-CG2 3.21Å; E41-V45 PolarHBondContact O-N 3.27Å
42E83.8Confident80.2Confident125 Ų12575.6 Ų75.658%0.58439%0.39SS*.Hα-helixtrans-57.5-46.2176.4-78.2176.518000111N38 L44 V45 E46N38-E42 WeakPolarHBondContact O-CB 3.24Å; N38-E42 WeakPolarHBondContact O-CG 3.37Å; N38-E42 PolarHBondContact O-N 3.11Å; E42-L44 PolarHBondContact O-N 3.21Å; E42-V45 PolarHBondContact O-N 3.17Å; E42-E46 WeakPolarHBondContact O-CB 3.37Å; E42-E46 VanDerWaalsContact O-CG 3.31Å; E42-E46 WeakPolarHBondContact O-CG 3.38Å; E42-E46 PolarHBondContact O-N 3.01Å
43L84.9Confident80.1Confident17 Ų1777.7 Ų77.79%0.08940%0.398CS..Hα-helixtrans-61-43.4178.1-71.7175.1000112.3R5 L8 K9 E39 E41 S47R5-L43 HydrophobicContact CG-CD1 4.27Å; L8-L43 HydrophobicContact CB-CB 4.19Å; K9-L43 HydrophobicContact CD-CD2 4.18Å; K9-L43 HydrophobicContact CG-CD2 3.77Å; E39-L43 HydrophobicContact CG-CD1 4.2Å; E39-L43 WeakPolarHBondContact O-CB 3.5Å; E39-L43 WeakPolarHBondContact O-CG 3.49Å; E39-L43 PolarHBondContact O-N 3.48Å; E41-L43 VanDerWaalsContact C-N 3.33Å; E41-L43 PolarHBondContact O-N 3.4Å; L43-S47 VanDerWaalsContact O-CB 3.24Å; L43-S47 WeakPolarHBondContact O-CB 3.44Å; L43-S47 PolarHBondContact O-N 3Å; L43-S47 PolarHBondContact O-OG 3.44Å
44L83.8Confident80.2Confident21 Ų2179 Ų7911%0.1139%0.394CS..Hα-helixtrans-65.9-44.9177.6-77.7172.3000111.8L8 A13 I14 L21 I25 A40 E41 E42 S47 Y48L8-L44 HydrophobicContact CB-CD2 4.46Å; L8-L44 HydrophobicContact CD2-CD1 4.42Å; L8-L44 HydrophobicContact CD2-CD2 3.87Å; L8-L44 HydrophobicContact CD2-CG 4.15Å; A13-L44 HydrophobicContact CB-CD2 4.02Å; I14-L44 HydrophobicContact CB-CD2 4.18Å; L21-L44 HydrophobicContact CD2-CD2 3.98Å; I25-L44 HydrophobicContact CD1-CD1 4.29Å; A40-L44 WeakPolarHBondContact O-CB 3.46Å; A40-L44 WeakPolarHBondContact O-CG 3.3Å; A40-L44 PolarHBondContact O-N 3.04Å; E41-L44 PolarHBondContact O-N 3.45Å; E42-L44 PolarHBondContact O-N 3.21Å; L44-S47 PolarHBondContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 3.23Å; L44-Y48 PolarHBondContact O-N 3.37Å; L44-Y48 VanDerWaalsContact O-N 3.11Å
45V83.6Confident80.1Confident101 Ų10173.8 Ų73.861%0.61237%0.371SS*.Hα-helixtrans-64.6-42.8179.11720000111.3E41 E42 S47 Y48E41-V45 HydrophobicContact CG-CG2 4.42Å; E41-V45 WeakPolarHBondContact O-CB 3.36Å; E41-V45 VanDerWaalsContact O-CG2 3.27Å; E41-V45 WeakPolarHBondContact O-CG2 3.21Å; E41-V45 PolarHBondContact O-N 3.27Å; E42-V45 PolarHBondContact O-N 3.17Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.03Å; V45-Y48 PolarHBondContact O-N 3.07Å
46E83.7Confident80Confident157 Ų15776.3 Ų76.373%0.73438%0.376SS*.Hα-helixtrans-66.5-31.8176.5-74.4-176.1168.900112.6E42E42-E46 WeakPolarHBondContact O-CB 3.37Å; E42-E46 VanDerWaalsContact O-CG 3.31Å; E42-E46 WeakPolarHBondContact O-CG 3.38Å; E42-E46 PolarHBondContact O-N 3.01Å
47S83Confident80.3Confident13 Ų1380.9 Ų80.99%0.09140%0.397CS..Hα-helixtrans-81.4-17.5-179.476.90000114.3L8 K10 D12 L43 L44 V45 Q49L8-S47 WeakPolarHBondContact O-CB 3.46Å; L8-S47 PolarHBondContact O-OG 2.74Å; K10-S47 WeakPolarHBondContact O-CB 3.26Å; D12-S47 PolarHBondContact N-O 2.96Å; L43-S47 VanDerWaalsContact O-CB 3.24Å; L43-S47 WeakPolarHBondContact O-CB 3.44Å; L43-S47 PolarHBondContact O-N 3Å; L43-S47 PolarHBondContact O-OG 3.44Å; L44-S47 PolarHBondContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 3.23Å; V45-S47 VanDerWaalsContact C-N 3.3Å; V45-S47 PolarHBondContact O-N 3.03Å; S47-Q49 PolarHBondContact O-N 3.49Å
48Y83.3Confident80.2Confident104 Ų10479.3 Ų79.341%0.40839%0.392SS..  trans-78.4120.4-175.7-177.6-112000111.7I14 L15 L44 V45 G50I14-Y48 HydrophobicContact CG2-CD2 3.37Å; I14-Y48 HydrophobicContact CG2-CE2 3.86Å; I14-Y48 HydrophobicContact CG2-CG 4.22Å; L15-Y48 HydrophobicContact CD1-CE2 4.49Å; L15-Y48 HydrophobicContact CD2-CE2 4.44Å; L15-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 PolarHBondContact O-N 3.37Å; L44-Y48 VanDerWaalsContact O-N 3.11Å; V45-Y48 PolarHBondContact O-N 3.07Å; Y48-G50 VanDerWaalsContact CE2-CA 3.45Å; Y48-G50 WeakPolarHBondContact OH-CA 3.41Å
49Q78.5Confident80Confident130 Ų13075.1 Ų75.161%0.60737%0.372SS*.  trans-108.8-19.8171.7-63.7-166.3-5.100112.1K11 D12 S47 A51K11-Q49 HydrophobicContact CD-CG 4.41Å; K11-Q49 HydrophobicContact CG-CG 4.27Å; D12-Q49 WeakPolarHBondContact OD1-CA 3.21Å; D12-Q49 PolarHBondContact OD1-N 3.34Å; S47-Q49 PolarHBondContact O-N 3.49Å; Q49-A51 PolarHBondContact O-N 2.89Å; Q49-A51 VanDerWaalsContact O-N 3.13Å
50G76.4Confident80Confident7 Ų776.1 Ų76.17%0.07238%0.38CS..  trans6419172.800000114.4D12 Y48 I52 E53 F54D12-G50 PolarHBondContact OD1-N 3.16Å; Y48-G50 VanDerWaalsContact CE2-CA 3.45Å; Y48-G50 WeakPolarHBondContact OH-CA 3.41Å; G50-I52 VanDerWaalsContact C-N 3.29Å; G50-I52 PolarHBondContact O-N 2.92Å; G50-E53 PolarHBondContact O-N 3.12Å; G50-F54 WeakPolarHBondContact O-CB 3.39Å; G50-F54 PolarHBondContact O-N 3.46Å
51A73.7Confident79.9Confident48 Ų4882.2 Ų82.240%0.39740%0.403SS..Hα-helixtrans-63.6-36.2-173.300000112.3Q49 L55Q49-A51 PolarHBondContact O-N 2.89Å; Q49-A51 VanDerWaalsContact O-N 3.13Å; A51-L55 WeakPolarHBondContact O-CB 3.02Å; A51-L55 PolarHBondContact O-N 2.88Å; A51-L55 VanDerWaalsContact O-N 3.08Å
52I71.6Confident79.6Confident89 Ų8978.9 Ų78.946%0.45639%0.389SS..Hα-helixtrans-67.8-48.3178.6-65.3173.4000110.6L15 G50 F54 L55 F56L15-I52 HydrophobicContact CD1-CB 4.33Å; L15-I52 HydrophobicContact CD1-CD1 4.48Å; G50-I52 VanDerWaalsContact C-N 3.29Å; G50-I52 PolarHBondContact O-N 2.92Å; I52-F54 VanDerWaalsContact C-N 3.35Å; I52-F54 PolarHBondContact O-N 3.5Å; I52-L55 WeakPolarHBondContact O-CB 3.28Å; I52-L55 PolarHBondContact O-N 2.76Å; I52-L55 VanDerWaalsContact O-N 3.14Å; I52-F56 HydrophobicContact CG2-CD2 3.66Å; I52-F56 HydrophobicContact CG2-CE2 3.37Å; I52-F56 HydrophobicContact CG2-CZ 4.48Å; I52-F56 VanDerWaalsContact O-CD2 3.27Å; I52-F56 WeakPolarHBondContact O-CD2 3.46Å; I52-F56 PolarHBondContact O-N 3.12Å
53E79.1Confident79.4Confident92 Ų9275 Ų7543%0.4337%0.374SS..Hα-helixtrans-62.6-41.7177.4-64.1-55.9140.500111.8L15 G50 L55 F56 E57L15-E53 HydrophobicContact CD1-CG 4.44Å; L15-E53 HydrophobicContact CD2-CG 4.37Å; G50-E53 PolarHBondContact O-N 3.12Å; E53-L55 PolarHBondContact O-N 2.92Å; E53-F56 PolarHBondContact O-N 2.84Å; E53-E57 WeakPolarHBondContact O-CB 3.47Å; E53-E57 PolarHBondContact O-N 3.35Å
54F79.3Confident79.2Confident130 Ų13083 Ų8357%0.5740%0.404SS*.Hα-helixtrans-60-38.3174.7-173.8-108.6000111.9G50 I52 L58G50-F54 WeakPolarHBondContact O-CB 3.39Å; G50-F54 PolarHBondContact O-N 3.46Å; I52-F54 VanDerWaalsContact C-N 3.35Å; I52-F54 PolarHBondContact O-N 3.5Å; F54-L58 HydrophobicContact CD1-CD1 3.67Å; F54-L58 HydrophobicContact CD1-CG 4.32Å; F54-L58 HydrophobicContact CE1-CD1 3.3Å; F54-L58 HydrophobicContact CE1-CG 4.03Å; F54-L58 HydrophobicContact CG-CD1 4.49Å; F54-L58 HydrophobicContact CZ-CD1 3.85Å; F54-L58 HydrophobicContact CZ-CD2 4.38Å; F54-L58 HydrophobicContact CZ-CG 4.13Å; F54-L58 WeakPolarHBondContact O-CB 3.37Å; F54-L58 VanDerWaalsContact O-CG 3.28Å; F54-L58 WeakPolarHBondContact O-CG 3.31Å; F54-L58 PolarHBondContact O-N 2.95Å
55L72.9Confident78.8Confident75 Ų7588.3 Ų88.339%0.39343%0.431SS..Hα-helixtrans-71.3-35.6177.6-164.6142.1000112A51 I52 E53 G59 I76A51-L55 WeakPolarHBondContact O-CB 3.02Å; A51-L55 PolarHBondContact O-N 2.88Å; A51-L55 VanDerWaalsContact O-N 3.08Å; I52-L55 WeakPolarHBondContact O-CB 3.28Å; I52-L55 PolarHBondContact O-N 2.76Å; I52-L55 VanDerWaalsContact O-N 3.14Å; E53-L55 PolarHBondContact O-N 2.92Å; L55-G59 PolarHBondContact O-N 2.75Å; L55-I76 HydrophobicContact CD2-CD1 4.26Å; L55-I76 HydrophobicContact CD2-CG2 3.75Å; L55-I76 HydrophobicContact CG-CG2 4.43Å
56F76.9Confident78Confident129 Ų12987.7 Ų87.757%0.56642%0.424SS*.Hα-helixtrans-66.7-42.9171.5-80.8-60.6000112.7I52 E53 G59 T60I52-F56 HydrophobicContact CG2-CD2 3.66Å; I52-F56 HydrophobicContact CG2-CE2 3.37Å; I52-F56 HydrophobicContact CG2-CZ 4.48Å; I52-F56 VanDerWaalsContact O-CD2 3.27Å; I52-F56 WeakPolarHBondContact O-CD2 3.46Å; I52-F56 PolarHBondContact O-N 3.12Å; E53-F56 PolarHBondContact O-N 2.84Å; F56-G59 PolarHBondContact O-N 3.04Å; F56-T60 PolarHBondContact O-N 3.21Å; F56-T60 PolarHBondContact O-OG1 3.13Å
57E83.1Confident77.3Confident95 Ų9589.1 Ų89.144%0.44443%0.431SS..Hα-helixtrans-66.1-45178-17164.4-152.400110.8E53 G59 T60 W61E53-E57 WeakPolarHBondContact O-CB 3.47Å; E53-E57 PolarHBondContact O-N 3.35Å; E57-G59 VanDerWaalsContact C-N 3.3Å; E57-G59 PolarHBondContact O-N 3.36Å; E57-T60 WeakPolarHBondContact O-CB 3.4Å; E57-T60 PolarHBondContact O-N 3.45Å; E57-T60 VanDerWaalsContact O-N 3.11Å; E57-W61 HydrophobicContact CG-CD2 4.5Å; E57-W61 HydrophobicContact CG-CH2 4.45Å; E57-W61 HydrophobicContact CG-CZ2 3.67Å; E57-W61 PolarHBondContact O-N 3.02Å; E57-W61 PolarHBondContact OE1-NE1 3.33Å
58L78.8Confident77Confident66 Ų6692.2 Ų92.235%0.34645%0.447SS..Hα-helixtrans-58.3-42.3171.5-79.1176.3000112F54 T60 W61 L62F54-L58 HydrophobicContact CD1-CD1 3.67Å; F54-L58 HydrophobicContact CD1-CG 4.32Å; F54-L58 HydrophobicContact CE1-CD1 3.3Å; F54-L58 HydrophobicContact CE1-CG 4.03Å; F54-L58 HydrophobicContact CG-CD1 4.49Å; F54-L58 HydrophobicContact CZ-CD1 3.85Å; F54-L58 HydrophobicContact CZ-CD2 4.38Å; F54-L58 HydrophobicContact CZ-CG 4.13Å; F54-L58 WeakPolarHBondContact O-CB 3.37Å; F54-L58 VanDerWaalsContact O-CG 3.28Å; F54-L58 WeakPolarHBondContact O-CG 3.31Å; F54-L58 PolarHBondContact O-N 2.95Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 2.95Å; L58-W61 HydrophobicContact CD2-CE3 3.9Å; L58-W61 HydrophobicContact CD2-CZ3 4.08Å; L58-W61 PolarHBondContact O-N 3.14Å; L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 3.35Å
59G76.3Confident76.8Confident9 Ų990.6 Ų90.69%0.09346%0.455CS..Hα-helixtrans-59.1-44.1173.700000111.8L55 F56 E57 W61 L62 T63 T72L55-G59 PolarHBondContact O-N 2.75Å; F56-G59 PolarHBondContact O-N 3.04Å; E57-G59 VanDerWaalsContact C-N 3.3Å; E57-G59 PolarHBondContact O-N 3.36Å; G59-W61 VanDerWaalsContact C-N 3.32Å; G59-W61 PolarHBondContact O-N 3.46Å; G59-L62 PolarHBondContact O-N 3.15Å; G59-T63 PolarHBondContact O-N 2.67Å; G59-T63 PolarHBondContact O-OG1 3.37Å; G59-T63 VanDerWaalsContact O-OG1 3.12Å; G59-T72 WeakPolarHBondContact O-CG2 3.34Å
60T82Confident76.8Confident58 Ų5889.1 Ų89.136%0.35645%0.448SS..Hα-helixtrans-61.9-41.2177.1-54.90000111.3F56 E57 L58 T63 Y64F56-T60 PolarHBondContact O-N 3.21Å; F56-T60 PolarHBondContact O-OG1 3.13Å; E57-T60 WeakPolarHBondContact O-CB 3.4Å; E57-T60 PolarHBondContact O-N 3.45Å; E57-T60 VanDerWaalsContact O-N 3.11Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 2.95Å; T60-T63 VanDerWaalsContact C-OG1 3.29Å; T60-T63 VanDerWaalsContact CA-OG1 3.32Å; T60-T63 WeakPolarHBondContact CA-OG1 3.43Å; T60-T63 PolarHBondContact O-N 2.97Å; T60-T63 PolarHBondContact O-OG1 3.2Å; T60-Y64 HydrophobicContact CG2-CD2 4.41Å; T60-Y64 HydrophobicContact CG2-CE2 3.81Å; T60-Y64 WeakPolarHBondContact O-CD2 3.3Å; T60-Y64 PolarHBondContact O-N 3.21Å
61W81.5Confident77Confident133 Ų13390.3 Ų90.350%0.50446%0.455SS..Hα-helixtrans-65.7-41.9175.3-63.7-5.4000113.1E57 L58 G59 T63 Y64 I65E57-W61 HydrophobicContact CG-CD2 4.5Å; E57-W61 HydrophobicContact CG-CH2 4.45Å; E57-W61 HydrophobicContact CG-CZ2 3.67Å; E57-W61 PolarHBondContact O-N 3.02Å; E57-W61 PolarHBondContact OE1-NE1 3.33Å; L58-W61 HydrophobicContact CD2-CE3 3.9Å; L58-W61 HydrophobicContact CD2-CZ3 4.08Å; L58-W61 PolarHBondContact O-N 3.14Å; G59-W61 VanDerWaalsContact C-N 3.32Å; G59-W61 PolarHBondContact O-N 3.46Å; W61-T63 VanDerWaalsContact C-N 3.31Å; W61-T63 PolarHBondContact O-N 3.01Å; W61-Y64 WeakPolarHBondContact O-CB 3.33Å; W61-Y64 PolarHBondContact O-N 3.47Å; W61-I65 PolarHBondContact O-N 3.38Å
62L76.1Confident77.3Confident57 Ų5788.3 Ų88.330%0.29844%0.438SS..Hα-helixtrans-62.1-39.6175.9-74.6169.6000111.4L58 G59 Y64 I65 D66 T72L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 3.35Å; G59-L62 PolarHBondContact O-N 3.15Å; L62-Y64 VanDerWaalsContact C-N 3.26Å; L62-Y64 PolarHBondContact O-N 3.21Å; L62-I65 PolarHBondContact O-N 3.24Å; L62-D66 PolarHBondContact O-N 3.27Å; L62-D66 VanDerWaalsContact O-N 3.14Å; L62-T72 HydrophobicContact CB-CG2 3.56Å; L62-T72 HydrophobicContact CD1-CG2 4.08Å; L62-T72 HydrophobicContact CG-CG2 4.49Å
63T78.7Confident77.7Confident45 Ų4591 Ų9128%0.27644%0.442SS..Hα-helixtrans-64.2-28175.2410000114.1G59 T60 W61 I65 E67 A69 T72G59-T63 PolarHBondContact O-N 2.67Å; G59-T63 PolarHBondContact O-OG1 3.37Å; G59-T63 VanDerWaalsContact O-OG1 3.12Å; T60-T63 VanDerWaalsContact C-OG1 3.29Å; T60-T63 VanDerWaalsContact CA-OG1 3.32Å; T60-T63 WeakPolarHBondContact CA-OG1 3.43Å; T60-T63 PolarHBondContact O-N 2.97Å; T60-T63 PolarHBondContact O-OG1 3.2Å; W61-T63 VanDerWaalsContact C-N 3.31Å; W61-T63 PolarHBondContact O-N 3.01Å; T63-I65 VanDerWaalsContact C-N 3.27Å; T63-I65 PolarHBondContact O-N 2.62Å; T63-E67 WeakPolarHBondContact O-CA 3.5Å; T63-E67 PolarHBondContact O-N 3.04Å; T63-A69 HydrophobicContact CG2-CB 4.15Å; T63-T72 HydrophobicContact CG2-CG2 4.18Å; T63-T72 WeakPolarHBondContact CG2-OG1 3.44Å; T63-T72 PolarHBondContact N-OG1 3.4Å
64Y80.5Confident77.8Confident183 Ų18390.6 Ų90.672%0.71844%0.443SS*.Hα-helixtrans-71.4-22.8173.5-75.3-58.3000113.2T60 W61 L62T60-Y64 HydrophobicContact CG2-CD2 4.41Å; T60-Y64 HydrophobicContact CG2-CE2 3.81Å; T60-Y64 WeakPolarHBondContact O-CD2 3.3Å; T60-Y64 PolarHBondContact O-N 3.21Å; W61-Y64 WeakPolarHBondContact O-CB 3.33Å; W61-Y64 PolarHBondContact O-N 3.47Å; L62-Y64 VanDerWaalsContact C-N 3.26Å; L62-Y64 PolarHBondContact O-N 3.21Å
65I75.6Confident78Confident133 Ų13387.4 Ų87.468%0.68243%0.432SS*.Hα-helixtrans-89.7-46.9-176.4-63.6170.8000111.2W61 L62 T63W61-I65 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 3.24Å; T63-I65 VanDerWaalsContact C-N 3.27Å; T63-I65 PolarHBondContact O-N 2.62Å
66D67.3Low78.4Confident88 Ų8885.9 Ų85.947%0.47142%0.423SS..Hα-helixtrans-94.1-7-175-93.1-6.2000114.1L62 D68 S71L62-D66 PolarHBondContact O-N 3.27Å; L62-D66 VanDerWaalsContact O-N 3.14Å; D66-D68 PolarHBondContact O-N 2.89Å; D66-S71 PolarHBondContact OD2-OG 3.47Å
67E68.8Low78.7Confident187 Ų18781 Ų8187%0.87440%0.402SS*.SBendtrans53.76-173.6-66.3-170.7168.800116T63T63-E67 WeakPolarHBondContact O-CA 3.5Å; T63-E67 PolarHBondContact O-N 3.04Å
68D77.6Confident78.8Confident78 Ų7879.8 Ų79.842%0.41740%0.404SS..  trans-121.8115.8176.6-179.525.3000112.6D66 Q70 S71 T72D66-D68 PolarHBondContact O-N 2.89Å; D68-Q70 VanDerWaalsContact C-N 3.26Å; D68-Q70 PolarHBondContact O-N 3.08Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.27Å; D68-Q70 PolarHBondContact OD1-N 2.87Å; D68-S71 PolarHBondContact O-N 3.2Å; D68-S71 WeakPolarHBondContact OD2-CB 3.41Å; D68-S71 PolarHBondContact OD2-N 2.92Å; D68-T72 PolarHBondContact O-N 3.19Å; D68-T72 PolarHBondContact O-OG1 3.37Å
69A77.9Confident79.1Confident70 Ų7080.9 Ų80.958%0.57941%0.413SS*.Hα-helixtrans-62.7-31.7174.800000112.8T63 R73T63-A69 HydrophobicContact CG2-CB 4.15Å; A69-R73 PolarHBondContact O-N 2.9Å; A69-R73 VanDerWaalsContact O-N 3.12Å
70Q79.7Confident79.6Confident99 Ų9982.9 Ų82.946%0.46342%0.424SS..Hα-helixtrans-72.9-42.1179.5-170.960.942.200111.2D68 T72 R73 N74D68-Q70 VanDerWaalsContact C-N 3.26Å; D68-Q70 PolarHBondContact O-N 3.08Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.27Å; D68-Q70 PolarHBondContact OD1-N 2.87Å; Q70-T72 VanDerWaalsContact C-N 3.32Å; Q70-T72 PolarHBondContact O-N 3.42Å; Q70-R73 PolarHBondContact O-N 3.27Å; Q70-N74 PolarHBondContact NE2-OD1 3.27Å; Q70-N74 PolarHBondContact O-N 3.38Å; Q70-N74 PolarHBondContact O-ND2 3.05Å; Q70-N74 PolarHBondContact O-OD1 2.83Å
71S80.7Confident79.8Confident33 Ų3382.6 Ų82.623%0.23142%0.418CS..Hα-helixtrans-52.8-49.8171.4-175.60000111.4D66 D68 R73 N74 I75D66-S71 PolarHBondContact OD2-OG 3.47Å; D68-S71 PolarHBondContact O-N 3.2Å; D68-S71 WeakPolarHBondContact OD2-CB 3.41Å; D68-S71 PolarHBondContact OD2-N 2.92Å; S71-R73 PolarHBondContact O-N 3.34Å; S71-N74 WeakPolarHBondContact O-CB 3.16Å; S71-N74 PolarHBondContact O-N 3.14Å; S71-N74 VanDerWaalsContact O-N 3.14Å; S71-I75 WeakPolarHBondContact O-CG1 3.31Å; S71-I75 PolarHBondContact O-N 3.45Å
72T79.2Confident80.2Confident5 Ų581.4 Ų81.43%0.03142%0.418CS..Hα-helixtrans-60.1-45.6179.8-62.60000112.3G59 L62 T63 D68 Q70 N74 I75 I76G59-T72 WeakPolarHBondContact O-CG2 3.34Å; L62-T72 HydrophobicContact CB-CG2 3.56Å; L62-T72 HydrophobicContact CD1-CG2 4.08Å; L62-T72 HydrophobicContact CG-CG2 4.49Å; T63-T72 HydrophobicContact CG2-CG2 4.18Å; T63-T72 WeakPolarHBondContact CG2-OG1 3.44Å; T63-T72 PolarHBondContact N-OG1 3.4Å; D68-T72 PolarHBondContact O-N 3.19Å; D68-T72 PolarHBondContact O-OG1 3.37Å; Q70-T72 VanDerWaalsContact C-N 3.32Å; Q70-T72 PolarHBondContact O-N 3.42Å; T72-N74 VanDerWaalsContact C-N 3.32Å; T72-N74 PolarHBondContact O-N 3.03Å; T72-I75 PolarHBondContact O-N 3.21Å; T72-I76 HydrophobicContact CG2-CD1 4.03Å; T72-I76 WeakPolarHBondContact O-CG1 3.4Å; T72-I76 PolarHBondContact O-N 3.47Å
73R79.4Confident80.7Confident146 Ų14680.8 Ų80.855%0.55142%0.42SS*.Hα-helixtrans-59.8-43.1176.2-178177.4177.3162.96.5111.6A69 Q70 S71 I75 I76 E77A69-R73 PolarHBondContact O-N 2.9Å; A69-R73 VanDerWaalsContact O-N 3.12Å; Q70-R73 PolarHBondContact O-N 3.27Å; S71-R73 PolarHBondContact O-N 3.34Å; R73-I75 VanDerWaalsContact C-N 3.32Å; R73-I75 PolarHBondContact O-N 3.25Å; R73-I76 PolarHBondContact O-N 3.42Å; R73-E77 HydrophobicContact CG-CG 4.38Å; R73-E77 IonicContact CZ-OE1 2.66Å; R73-E77 IonicContact NE-OE1 3.42Å; R73-E77 PolarHBondContact NE-OE1 2.94Å; R73-E77 IonicContact NH2-OE1 3.68Å; R73-E77 WeakPolarHBondContact O-CB 3.24Å; R73-E77 WeakPolarHBondContact O-CG 3.26Å; R73-E77 PolarHBondContact O-N 3.42Å
74N82.6Confident81.1Confident83 Ų8381.1 Ų81.144%0.44442%0.42SS..Hα-helixtrans-62.7-38.7178-64.1-18.3000111.7Q70 S71 T72 S78Q70-N74 PolarHBondContact NE2-OD1 3.27Å; Q70-N74 PolarHBondContact O-N 3.38Å; Q70-N74 PolarHBondContact O-ND2 3.05Å; Q70-N74 PolarHBondContact O-OD1 2.83Å; S71-N74 WeakPolarHBondContact O-CB 3.16Å; S71-N74 PolarHBondContact O-N 3.14Å; S71-N74 VanDerWaalsContact O-N 3.14Å; T72-N74 VanDerWaalsContact C-N 3.32Å; T72-N74 PolarHBondContact O-N 3.03Å; N74-S78 VanDerWaalsContact O-CB 3.27Å; N74-S78 WeakPolarHBondContact O-CB 3.41Å; N74-S78 PolarHBondContact O-N 2.9Å
75I82.1Confident81.4Confident64 Ų6475.3 Ų75.333%0.32840%0.401SS..Hα-helixtrans-62.8-49.5175.2-66.4165.1000110.3S71 T72 R73 S78 V79S71-I75 WeakPolarHBondContact O-CG1 3.31Å; S71-I75 PolarHBondContact O-N 3.45Å; T72-I75 PolarHBondContact O-N 3.21Å; R73-I75 VanDerWaalsContact C-N 3.32Å; R73-I75 PolarHBondContact O-N 3.25Å; I75-S78 WeakPolarHBondContact O-CB 3.38Å; I75-S78 PolarHBondContact O-N 3.19Å; I75-V79 WeakPolarHBondContact O-CG2 3.36Å; I75-V79 PolarHBondContact O-N 2.91Å
76I81.2Confident82Confident42 Ų4275.3 Ų75.322%0.21540%0.398CS..Hα-helixtrans-60.2-49.5178.6-67.8171.6000110.6L55 T72 R73 S78 V79 V80L55-I76 HydrophobicContact CD2-CD1 4.26Å; L55-I76 HydrophobicContact CD2-CG2 3.75Å; L55-I76 HydrophobicContact CG-CG2 4.43Å; T72-I76 HydrophobicContact CG2-CD1 4.03Å; T72-I76 WeakPolarHBondContact O-CG1 3.4Å; T72-I76 PolarHBondContact O-N 3.47Å; R73-I76 PolarHBondContact O-N 3.42Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 2.91Å; I76-V79 PolarHBondContact O-N 3.41Å; I76-V80 HydrophobicContact CG2-CG2 4.39Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 2.94Å
77E83.8Confident82.9Confident26 Ų2677 Ų7712%0.12141%0.407CS..Hα-helixtrans-58.5-40.1177.5-75.7-174.9-166.800111.5R73 K81 T117 W118R73-E77 HydrophobicContact CG-CG 4.38Å; R73-E77 IonicContact CZ-OE1 2.66Å; R73-E77 IonicContact NE-OE1 3.42Å; R73-E77 PolarHBondContact NE-OE1 2.94Å; R73-E77 IonicContact NH2-OE1 3.68Å; R73-E77 WeakPolarHBondContact O-CB 3.24Å; R73-E77 WeakPolarHBondContact O-CG 3.26Å; R73-E77 PolarHBondContact O-N 3.42Å; E77-K81 WeakPolarHBondContact O-CB 3.29Å; E77-K81 PolarHBondContact O-N 2.92Å; E77-T117 HydrophobicContact CB-CG2 4.39Å; E77-T117 PolarHBondContact OE2-OG1 2.75Å; E77-W118 HydrophobicContact CG-CZ2 4.23Å
78S85.9Confident83.7Confident70 Ų7070.6 Ų70.649%0.4938%0.375SS..Hα-helixtrans-63.8-45.4176.4-172.60000112.5N74 I75 I76 K81 E82N74-S78 VanDerWaalsContact O-CB 3.27Å; N74-S78 WeakPolarHBondContact O-CB 3.41Å; N74-S78 PolarHBondContact O-N 2.9Å; I75-S78 WeakPolarHBondContact O-CB 3.38Å; I75-S78 PolarHBondContact O-N 3.19Å; I76-S78 VanDerWaalsContact C-N 3.27Å; I76-S78 PolarHBondContact O-N 2.91Å; S78-K81 PolarHBondContact O-N 3.41Å; S78-E82 WeakPolarHBondContact O-CB 3.33Å; S78-E82 PolarHBondContact O-N 3.28Å
79V85.2Confident84Confident89 Ų8969.6 Ų69.654%0.53937%0.37SS..Hα-helixtrans-65-43.5178.5172.40000110.8I75 I76 E82 A83I75-V79 WeakPolarHBondContact O-CG2 3.36Å; I75-V79 PolarHBondContact O-N 2.91Å; I76-V79 PolarHBondContact O-N 3.41Å; V79-E82 PolarHBondContact O-N 3.27Å; V79-A83 WeakPolarHBondContact O-CB 3.32Å; V79-A83 PolarHBondContact O-N 2.89Å
80V85.7Confident84.2Confident52 Ų5272.5 Ų72.532%0.31537%0.366SS..Hα-helixtrans-64.5-44.2177.1173.80000110.7I76 E82 A83 I84 W118I76-V80 HydrophobicContact CG2-CG2 4.39Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 2.94Å; V80-E82 VanDerWaalsContact C-N 3.35Å; V80-E82 PolarHBondContact O-N 3.11Å; V80-A83 PolarHBondContact O-N 3.11Å; V80-I84 HydrophobicContact CG1-CD1 3.83Å; V80-I84 HydrophobicContact CG1-CG1 4.37Å; V80-I84 VanDerWaalsContact O-CG1 3.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.25Å; V80-I84 PolarHBondContact O-N 3.48Å; V80-W118 HydrophobicContact CB-CH2 4.04Å; V80-W118 HydrophobicContact CG1-CH2 3.64Å; V80-W118 HydrophobicContact CG1-CZ3 4.08Å
81K87.4Confident84.3Confident52 Ų5271.1 Ų71.123%0.22637%0.367CS..Hα-helixtrans-56.5-48.3174.5171.9176.2179.2-174.60111.5E77 S78 I84 L85 W118 T121E77-K81 WeakPolarHBondContact O-CB 3.29Å; E77-K81 PolarHBondContact O-N 2.92Å; S78-K81 PolarHBondContact O-N 3.41Å; K81-I84 PolarHBondContact O-N 3.01Å; K81-L85 HydrophobicContact CG-CD1 4.03Å; K81-L85 VanDerWaalsContact O-CG 3.28Å; K81-L85 WeakPolarHBondContact O-CG 3.28Å; K81-L85 PolarHBondContact O-N 3.19Å; K81-W118 HydrophobicContact CB-CZ3 4.46Å; K81-T121 HydrophobicContact CG-CG2 4.22Å; K81-T121 WeakPolarHBondContact CG-OG1 3.41Å
82E88.5Confident84.3Confident108 Ų10876.3 Ų76.351%0.50539%0.386SS..Hα-helixtrans-62.6-44178.1-175.3172.4-168.200111.7S78 V79 V80 I84 L85 Q86S78-E82 WeakPolarHBondContact O-CB 3.33Å; S78-E82 PolarHBondContact O-N 3.28Å; V79-E82 PolarHBondContact O-N 3.27Å; V80-E82 VanDerWaalsContact C-N 3.35Å; V80-E82 PolarHBondContact O-N 3.11Å; E82-I84 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 2.86Å; E82-L85 PolarHBondContact O-N 3.49Å; E82-Q86 HydrophobicContact CG-CG 4.44Å; E82-Q86 WeakPolarHBondContact O-CB 3.34Å; E82-Q86 WeakPolarHBondContact O-CG 3.42Å; E82-Q86 PolarHBondContact O-N 2.93Å; E82-Q86 PolarHBondContact OE1-NE2 3.39Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.11Å
83A86.6Confident84.3Confident43 Ų4376.6 Ų76.636%0.35539%0.389SS..Hα-helixtrans-61.4-40.1176.800000112.4V79 V80 N87V79-A83 WeakPolarHBondContact O-CB 3.32Å; V79-A83 PolarHBondContact O-N 2.89Å; V80-A83 PolarHBondContact O-N 3.11Å; A83-N87 VanDerWaalsContact O-CB 3.29Å; A83-N87 WeakPolarHBondContact O-CB 3.19Å; A83-N87 PolarHBondContact O-N 2.65Å; A83-N87 PolarHBondContact O-ND2 3.23Å
84I86.9Confident84.1Confident53 Ų5373.6 Ų73.627%0.27238%0.383SS..Hα-helixtrans-63.6-50.3174.1-70167.7000109.9V80 K81 E82 Q86 N87 Y88 W118 T121 L125V80-I84 HydrophobicContact CG1-CD1 3.83Å; V80-I84 HydrophobicContact CG1-CG1 4.37Å; V80-I84 VanDerWaalsContact O-CG1 3.28Å; V80-I84 WeakPolarHBondContact O-CG1 3.25Å; V80-I84 PolarHBondContact O-N 3.48Å; K81-I84 PolarHBondContact O-N 3.01Å; E82-I84 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 2.86Å; I84-Q86 VanDerWaalsContact C-N 3.26Å; I84-Q86 PolarHBondContact O-N 2.98Å; I84-N87 PolarHBondContact O-N 3.35Å; I84-Y88 VanDerWaalsContact O-CB 3.25Å; I84-Y88 WeakPolarHBondContact O-CB 3.46Å; I84-Y88 PolarHBondContact O-N 3.19Å; I84-W118 HydrophobicContact CD1-CZ3 4.07Å; I84-T121 HydrophobicContact CB-CG2 4.44Å; I84-T121 HydrophobicContact CG2-CG2 3.98Å; I84-L125 HydrophobicContact CG2-CD1 3.88Å
85L87.8Confident83.8Confident61 Ų6174.1 Ų74.132%0.31939%0.389SS..Hα-helixtrans-60.4-35.4-178.4-69.5173.1000112.6K81 E82 T121 N124 L125K81-L85 HydrophobicContact CG-CD1 4.03Å; K81-L85 VanDerWaalsContact O-CG 3.28Å; K81-L85 WeakPolarHBondContact O-CG 3.28Å; K81-L85 PolarHBondContact O-N 3.19Å; E82-L85 PolarHBondContact O-N 3.49Å; L85-T121 HydrophobicContact CD2-CG2 4.32Å; L85-T121 HydrophobicContact CG-CG2 4.45Å; L85-N124 HydrophobicContact CD2-CB 3.65Å; L85-L125 HydrophobicContact CD2-CD2 3.85Å; L85-L125 HydrophobicContact CD2-CG 3.92Å
86Q87.1Confident83.2Confident132 Ų13273.1 Ų73.162%0.61739%0.387SS*.Hα-helixtrans-79-36.4178.9-69.7179.86.500113.5E82 I84E82-Q86 HydrophobicContact CG-CG 4.44Å; E82-Q86 WeakPolarHBondContact O-CB 3.34Å; E82-Q86 WeakPolarHBondContact O-CG 3.42Å; E82-Q86 PolarHBondContact O-N 2.93Å; E82-Q86 PolarHBondContact OE1-NE2 3.39Å; E82-Q86 VanDerWaalsContact OE1-NE2 3.11Å; I84-Q86 VanDerWaalsContact C-N 3.26Å; I84-Q86 PolarHBondContact O-N 2.98Å
87N86.1Confident82.7Confident123 Ų12373.3 Ų73.366%0.65839%0.389SS*.Hα-helixtrans-109.75.5-169.6-59.9-68000114.5A83 I84 D89A83-N87 VanDerWaalsContact O-CB 3.29Å; A83-N87 WeakPolarHBondContact O-CB 3.19Å; A83-N87 PolarHBondContact O-N 2.65Å; A83-N87 PolarHBondContact O-ND2 3.23Å; I84-N87 PolarHBondContact O-N 3.35Å; N87-D89 PolarHBondContact O-N 3.15Å
88Y86.4Confident82.3Confident53 Ų5375.6 Ų75.621%0.20840%0.404CS..  trans-58.7121.8-179.8-173.8-98.2000111.5I84 R90 A93 L125 C134 L137I84-Y88 VanDerWaalsContact O-CB 3.25Å; I84-Y88 WeakPolarHBondContact O-CB 3.46Å; I84-Y88 PolarHBondContact O-N 3.19Å; Y88-R90 HydrophobicContact CE1-CB 4.36Å; Y88-A93 HydrophobicContact CE2-CB 4.3Å; Y88-A93 WeakPolarHBondContact OH-CB 3.38Å; Y88-L125 HydrophobicContact CD1-CD2 4.08Å; Y88-L125 HydrophobicContact CD2-CD1 3.7Å; Y88-L125 HydrophobicContact CD2-CD2 4.09Å; Y88-L125 HydrophobicContact CE2-CD1 3.97Å; Y88-L125 HydrophobicContact CG-CD1 4.11Å; Y88-L125 HydrophobicContact CG-CD2 3.64Å; Y88-L125 HydrophobicContact CG-CG 4.48Å; Y88-C134 PolarHBondContact OH-SG 3.41Å; Y88-L137 HydrophobicContact CE1-CD1 4.35Å
89D84.1Confident81.4Confident57 Ų5779.6 Ų79.631%0.30542%0.421SS..  trans-115.9107.9178.3-175.2-14000110.1N87 S91 K92 A93N87-D89 PolarHBondContact O-N 3.15Å; D89-S91 VanDerWaalsContact CG-OG 3.31Å; D89-S91 PolarHBondContact O-N 3.42Å; D89-S91 WeakPolarHBondContact OD1-CB 3.39Å; D89-S91 PolarHBondContact OD1-N 2.95Å; D89-S91 PolarHBondContact OD1-OG 3.07Å; D89-S91 PolarHBondContact OD2-OG 3.45Å; D89-K92 HydrophobicContact CB-CB 4.25Å; D89-K92 HydrophobicContact CB-CD 4.07Å; D89-K92 HydrophobicContact CB-CG 4.19Å; D89-K92 PolarHBondContact O-N 3.19Å; D89-K92 VanDerWaalsContact OD2-CE 3.3Å; D89-K92 WeakPolarHBondContact OD2-CE 3.48Å; D89-K92 IonicContact OD2-NZ 3.95Å; D89-A93 PolarHBondContact O-N 2.88Å
90R81.6Confident80.5Confident131 Ų13184.4 Ų84.449%0.49444%0.437SS..Hα-helixtrans-57.1-31.1178.970.5-175.2-172.1170.48113.5Y88 I94 R130Y88-R90 HydrophobicContact CE1-CB 4.36Å; R90-I94 WeakPolarHBondContact O-CG1 3.41Å; R90-I94 PolarHBondContact O-N 3.3Å; R90-R130 PolarHBondContact NH1-O 3.39Å; R90-R130 VanDerWaalsContact NH1-O 3.11Å
91S81.5Confident79.7Confident70 Ų7083.3 Ų83.349%0.4943%0.434SS..Hα-helixtrans-73.9-35.7-177.368.40000111.7D89D89-S91 VanDerWaalsContact CG-OG 3.31Å; D89-S91 PolarHBondContact O-N 3.42Å; D89-S91 WeakPolarHBondContact OD1-CB 3.39Å; D89-S91 PolarHBondContact OD1-N 2.95Å; D89-S91 PolarHBondContact OD1-OG 3.07Å; D89-S91 PolarHBondContact OD2-OG 3.45Å
92K81.4Confident78.9Confident142 Ų14283.3 Ų83.362%0.61744%0.44SS*.Hα-helixtrans-74.4-35.8173.2-64.9178.8-172.6171.60111.7D89 I94 T95D89-K92 HydrophobicContact CB-CB 4.25Å; D89-K92 HydrophobicContact CB-CD 4.07Å; D89-K92 HydrophobicContact CB-CG 4.19Å; D89-K92 PolarHBondContact O-N 3.19Å; D89-K92 VanDerWaalsContact OD2-CE 3.3Å; D89-K92 WeakPolarHBondContact OD2-CE 3.48Å; D89-K92 IonicContact OD2-NZ 3.95Å; K92-I94 PolarHBondContact O-N 3.19Å; K92-T95 PolarHBondContact O-N 3.38Å; K92-T95 PolarHBondContact O-OG1 3.09Å
93A78.9Confident78.4Confident12 Ų1281.4 Ų81.410%0.09944%0.443CS..Hα-helixtrans-61.1-29.7177.600000113.1Y88 D89 T95 C96 F136Y88-A93 HydrophobicContact CE2-CB 4.3Å; Y88-A93 WeakPolarHBondContact OH-CB 3.38Å; D89-A93 PolarHBondContact O-N 2.88Å; A93-T95 PolarHBondContact O-N 3.43Å; A93-C96 WeakPolarHBondContact O-CB 3.09Å; A93-C96 PolarHBondContact O-N 3.24Å; A93-F136 HydrophobicContact CB-CB 4.03Å; A93-F136 HydrophobicContact CB-CG 4.32Å
94I75.6Confident78.1Confident82 Ų8284.3 Ų84.342%0.42145%0.452SS..G310 helixtrans-64.3-29.6176.1-67.6165000111.6R90 K92 C96 L97 P135R90-I94 WeakPolarHBondContact O-CG1 3.41Å; R90-I94 PolarHBondContact O-N 3.3Å; K92-I94 PolarHBondContact O-N 3.19Å; I94-C96 PolarHBondContact O-N 3.24Å; I94-L97 WeakPolarHBondContact O-CB 3.47Å; I94-L97 PolarHBondContact O-N 2.8Å; I94-P135 HydrophobicContact CD1-CG 4.29Å; I94-P135 HydrophobicContact CG1-CG 4.06Å
95T76.5Confident77.8Confident94 Ų9482.1 Ų82.158%0.57744%0.442SS*.G310 helixtrans-67.3-18.8178.967.40000112.5K92 A93 L97 T98K92-T95 PolarHBondContact O-N 3.38Å; K92-T95 PolarHBondContact O-OG1 3.09Å; A93-T95 PolarHBondContact O-N 3.43Å; T95-L97 PolarHBondContact O-N 2.82Å; T95-T98 PolarHBondContact O-OG1 2.99Å
96C69.9Low77.6Confident43 Ų4382.6 Ų82.629%0.29144%0.443SS..G310 helixtrans-72.2-17.6172-56.40000112.7A93 I94 T105A93-C96 WeakPolarHBondContact O-CB 3.09Å; A93-C96 PolarHBondContact O-N 3.24Å; I94-C96 PolarHBondContact O-N 3.24Å; C96-T105 HydrophobicContact CB-CG2 4.32Å; C96-T105 PolarHBondContact O-OG1 3.34Å
97L70.6Confident77.5Confident46 Ų4682.2 Ų82.224%0.24144%0.441CS..G310 helixtrans-96.79.7-177.3-58.5-179.9000113.5I94 T95 P135 F136 L139I94-L97 WeakPolarHBondContact O-CB 3.47Å; I94-L97 PolarHBondContact O-N 2.8Å; T95-L97 PolarHBondContact O-N 2.82Å; L97-P135 HydrophobicContact CD1-CB 3.75Å; L97-F136 HydrophobicContact CD1-CB 4.32Å; L97-F136 HydrophobicContact CD2-CD2 4.31Å; L97-L139 HydrophobicContact CD2-CD2 3.41Å; L97-L139 VanDerWaalsContact CD2-CD2 3.41Å
98T74.6Confident77.5Confident74 Ų7481.4 Ų81.445%0.45443%0.429SS..SBendtrans-64.6146.4173.352.90000110.6T95 E100 A101 S102T95-T98 PolarHBondContact O-OG1 2.99Å; T98-E100 PolarHBondContact O-N 2.95Å; T98-A101 PolarHBondContact O-N 3.31Å; T98-S102 PolarHBondContact O-N 3.41Å; T98-S102 VanDerWaalsContact O-N 3.12Å
99D66Low77.5Confident155 Ų15578.9 Ų78.983%0.82942%0.419SS*.THydrogen-bonded Turntrans-48.6-40.5-172.9-69-24000113.6A101 S102D99-A101 PolarHBondContact O-N 3.28Å; D99-S102 PolarHBondContact O-OG 3.23Å
100E66.9Low77.6Confident190 Ų19079 Ų7989%0.88843%0.425SS*.THydrogen-bonded Turntrans-66.8-31.2179.4-64.2178.8-177.900114.1T98T98-E100 PolarHBondContact O-N 2.95Å
101A68.8Low77.9Confident29 Ų2978.6 Ų78.624%0.2443%0.428CS..THydrogen-bonded Turntrans-103.4-4.2-17400000113.5T98 D99 A103 T105T98-A101 PolarHBondContact O-N 3.31Å; D99-A101 PolarHBondContact O-N 3.28Å; A101-A103 PolarHBondContact O-N 3.36Å; A101-T105 WeakPolarHBondContact O-CB 3.34Å; A101-T105 PolarHBondContact O-N 3.28Å; A101-T105 PolarHBondContact O-OG1 2.9Å
102S72.1Confident78.2Confident51 Ų5177.4 Ų77.436%0.35742%0.416SS..Hα-helixtrans-63.8-43.2-172.663.20000113T98 D99 T105 M106T98-S102 PolarHBondContact O-N 3.41Å; T98-S102 VanDerWaalsContact O-N 3.12Å; D99-S102 PolarHBondContact O-OG 3.23Å; S102-T105 PolarHBondContact O-N 3.03Å; S102-M106 VanDerWaalsContact O-CG 3.28Å; S102-M106 WeakPolarHBondContact O-CG 3.34Å; S102-M106 PolarHBondContact O-N 3.45Å
103A77.4Confident78.5Confident69 Ų6971 Ų7157%0.5739%0.388SS*.Hα-helixtrans-64.6-50.8179.500000111.8A101 T105 M106 E107A101-A103 PolarHBondContact O-N 3.36Å; A103-T105 PolarHBondContact O-N 3.31Å; A103-M106 PolarHBondContact O-N 3.17Å; A103-M106 VanDerWaalsContact O-N 3.14Å; A103-E107 PolarHBondContact O-N 2.9Å; A103-E107 VanDerWaalsContact O-N 3.12Å
104D80.4Confident79Confident104 Ų10476.1 Ų76.156%0.55641%0.41SS*.Hα-helixtrans-59.3-39.5176.7-63.4-4.1000110.7M106 E107 W108D104-M106 PolarHBondContact O-N 2.68Å; D104-E107 PolarHBondContact O-N 3.14Å; D104-W108 PolarHBondContact O-N 2.86Å; D104-W108 VanDerWaalsContact O-N 3.15Å
105T80.4Confident79.6Confident7 Ų773.6 Ų73.64%0.04340%0.399CS..Hα-helixtrans-61.8-42.2177.1-63.20000112.8C96 A101 S102 A103 E107 W108 L109 F136C96-T105 HydrophobicContact CB-CG2 4.32Å; C96-T105 PolarHBondContact O-OG1 3.34Å; A101-T105 WeakPolarHBondContact O-CB 3.34Å; A101-T105 PolarHBondContact O-N 3.28Å; A101-T105 PolarHBondContact O-OG1 2.9Å; S102-T105 PolarHBondContact O-N 3.03Å; A103-T105 PolarHBondContact O-N 3.31Å; T105-E107 VanDerWaalsContact C-N 3.31Å; T105-E107 PolarHBondContact O-N 3.25Å; T105-W108 VanDerWaalsContact CA-NE1 3.34Å; T105-W108 HydrophobicContact CG2-CZ2 3.81Å; T105-L109 WeakPolarHBondContact O-CB 3.13Å; T105-L109 PolarHBondContact O-N 3.46Å; T105-F136 HydrophobicContact CG2-CE2 4.05Å
106M82.9Confident80.2Confident70 Ų7073.1 Ų73.135%0.34540%0.398SS..Hα-helixtrans-67.6-32.8177.1-68.5-61.6-64.200112.3S102 A103 D104 S110 L139 C143S102-M106 VanDerWaalsContact O-CG 3.28Å; S102-M106 WeakPolarHBondContact O-CG 3.34Å; S102-M106 PolarHBondContact O-N 3.45Å; A103-M106 PolarHBondContact O-N 3.17Å; A103-M106 VanDerWaalsContact O-N 3.14Å; D104-M106 PolarHBondContact O-N 2.68Å; M106-S110 VanDerWaalsContact O-CB 3.31Å; M106-S110 WeakPolarHBondContact O-CB 3.1Å; M106-S110 PolarHBondContact O-N 3.39Å; M106-S110 PolarHBondContact O-OG 3.27Å; M106-L139 HydrophobicContact SD-CD1 4.4Å; M106-L139 HydrophobicContact SD-CD2 3.8Å; M106-L139 HydrophobicContact SD-CG 4.09Å; M106-C143 WeakPolarHBondContact CE-SG 3.45Å
107E84.5Confident81Confident125 Ų12573.1 Ų73.158%0.58440%0.397SS*.Hα-helixtrans-67.3-55.5178.8-174.9172.7-174.900111.8A103 D104 T105 L109 S110 Q111A103-E107 PolarHBondContact O-N 2.9Å; A103-E107 VanDerWaalsContact O-N 3.12Å; D104-E107 PolarHBondContact O-N 3.14Å; T105-E107 VanDerWaalsContact C-N 3.31Å; T105-E107 PolarHBondContact O-N 3.25Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.94Å; E107-S110 WeakPolarHBondContact O-CB 3.49Å; E107-S110 PolarHBondContact O-N 3.48Å; E107-Q111 PolarHBondContact O-N 2.94Å
108W87.4Confident82Confident105 Ų10573.5 Ų73.540%0.39840%0.395SS..Hα-helixtrans-70-31.818069.3-108.6000112.2D104 T105 S110 Q111 M112 F136D104-W108 PolarHBondContact O-N 2.86Å; D104-W108 VanDerWaalsContact O-N 3.15Å; T105-W108 VanDerWaalsContact CA-NE1 3.34Å; T105-W108 HydrophobicContact CG2-CZ2 3.81Å; W108-S110 VanDerWaalsContact C-N 3.31Å; W108-S110 PolarHBondContact O-N 3.46Å; W108-Q111 PolarHBondContact O-N 2.88Å; W108-M112 HydrophobicContact CE3-CB 4.43Å; W108-M112 HydrophobicContact CE3-SD 4.34Å; W108-M112 HydrophobicContact CZ3-SD 3.78Å; W108-M112 WeakPolarHBondContact O-CB 3.36Å; W108-M112 PolarHBondContact O-N 3.45Å; W108-F136 AromaticContact CH2-CE2 3.68Å; W108-F136 HydrophobicContact CH2-CE2 3.68Å; W108-F136 AromaticContact CH2-CZ 3.46Å; W108-F136 HydrophobicContact CH2-CZ 3.46Å; W108-F136 VanDerWaalsContact CH2-CZ 3.46Å; W108-F136 HydrophobicContact CZ2-CE2 4.05Å; W108-F136 HydrophobicContact CZ2-CZ 4.29Å; W108-F136 HydrophobicContact CZ3-CZ 4.17Å
109L86.8Confident82.8Confident0 Ų070.9 Ų70.90%038%0.377CS..Hα-helixtrans-63.9-39.7174.8-179.562000111T105 E107 Q111 M112 V113 I122 F136 C143T105-L109 WeakPolarHBondContact O-CB 3.13Å; T105-L109 PolarHBondContact O-N 3.46Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.94Å; L109-Q111 VanDerWaalsContact C-N 3.29Å; L109-Q111 PolarHBondContact O-N 2.87Å; L109-M112 PolarHBondContact O-N 2.92Å; L109-V113 HydrophobicContact CD1-CG2 4.17Å; L109-V113 HydrophobicContact CG-CG2 4.41Å; L109-V113 WeakPolarHBondContact O-CB 3.34Å; L109-V113 VanDerWaalsContact O-CG2 3.26Å; L109-V113 WeakPolarHBondContact O-CG2 3.38Å; L109-V113 PolarHBondContact O-N 3.34Å; L109-I122 HydrophobicContact CD1-CD1 4.41Å; L109-F136 HydrophobicContact CD1-CZ 4.12Å; L109-C143 HydrophobicContact CD2-CB 4.49Å
110S86.3Confident84Confident61 Ų6167.4 Ų67.443%0.42736%0.356SS..Hα-helixtrans-61.3-39.8175.8-62.80000111.6M106 E107 W108 E114M106-S110 VanDerWaalsContact O-CB 3.31Å; M106-S110 WeakPolarHBondContact O-CB 3.1Å; M106-S110 PolarHBondContact O-N 3.39Å; M106-S110 PolarHBondContact O-OG 3.27Å; E107-S110 WeakPolarHBondContact O-CB 3.49Å; E107-S110 PolarHBondContact O-N 3.48Å; W108-S110 VanDerWaalsContact C-N 3.31Å; W108-S110 PolarHBondContact O-N 3.46Å; S110-E114 VanDerWaalsContact O-CG 3.24Å; S110-E114 WeakPolarHBondContact O-CG 3.33Å
111Q87.6Confident85.1Confident122 Ų12258.4 Ų58.457%0.5731%0.314SS*.Hα-helixtrans-69.5-42174.8-64177.716.900112.1E107 W108 L109 V113 E114E107-Q111 PolarHBondContact O-N 2.94Å; W108-Q111 PolarHBondContact O-N 2.88Å; L109-Q111 VanDerWaalsContact C-N 3.29Å; L109-Q111 PolarHBondContact O-N 2.87Å; Q111-V113 VanDerWaalsContact C-N 3.34Å; Q111-V113 PolarHBondContact O-N 2.93Å; Q111-E114 WeakPolarHBondContact O-CB 3.15Å; Q111-E114 PolarHBondContact O-N 2.91Å
112M87.5Confident86.2Confident45 Ų4557.2 Ų57.222%0.22230%0.303CS..Hα-helixtrans-61.7-42.1179.1-177.8179.2175.800111.7W108 L109 E114 S115 W118 I122W108-M112 HydrophobicContact CE3-CB 4.43Å; W108-M112 HydrophobicContact CE3-SD 4.34Å; W108-M112 HydrophobicContact CZ3-SD 3.78Å; W108-M112 WeakPolarHBondContact O-CB 3.36Å; W108-M112 PolarHBondContact O-N 3.45Å; L109-M112 PolarHBondContact O-N 2.92Å; M112-E114 PolarHBondContact O-N 2.85Å; M112-S115 PolarHBondContact O-N 3.41Å; M112-W118 HydrophobicContact CE-CB 3.77Å; M112-W118 HydrophobicContact CE-CD2 4.38Å; M112-W118 HydrophobicContact CE-CE3 4.31Å; M112-W118 HydrophobicContact CE-CG 4.18Å; M112-W118 HydrophobicContact CG-CB 3.59Å; M112-W118 HydrophobicContact CG-CG 3.95Å; M112-W118 WeakPolarHBondContact O-CB 3.16Å; M112-I122 HydrophobicContact CE-CD1 4.35Å; M112-I122 HydrophobicContact CE-CG1 4.25Å
113V88.2Confident87.1Confident6 Ų654.8 Ų54.84%0.03629%0.286CS..Hα-helixtrans-64.4-19.8179164.70000112.7L109 Q111 S115 R119 I122 I144L109-V113 HydrophobicContact CD1-CG2 4.17Å; L109-V113 HydrophobicContact CG-CG2 4.41Å; L109-V113 WeakPolarHBondContact O-CB 3.34Å; L109-V113 VanDerWaalsContact O-CG2 3.26Å; L109-V113 WeakPolarHBondContact O-CG2 3.38Å; L109-V113 PolarHBondContact O-N 3.34Å; Q111-V113 VanDerWaalsContact C-N 3.34Å; Q111-V113 PolarHBondContact O-N 2.93Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 3.23Å; V113-R119 HydrophobicContact CG1-CG 4.31Å; V113-R119 WeakPolarHBondContact O-CD 3.48Å; V113-R119 WeakPolarHBondContact O-CG 3.5Å; V113-R119 PolarHBondContact O-NH1 2.95Å; V113-I122 HydrophobicContact CG2-CD1 4.15Å; V113-I144 HydrophobicContact CB-CG1 4.32Å; V113-I144 HydrophobicContact CG1-CB 4.21Å; V113-I144 HydrophobicContact CG1-CG1 3.6Å; V113-I144 HydrophobicContact CG2-CD1 4.42Å; V113-I144 HydrophobicContact CG2-CG1 3.7Å
114E87.8Confident87.7Confident121 Ų12154 Ų5457%0.56527%0.273SS*.Hα-helixtrans-67.8-28.9176.4-50.5-151.3121.300112.5S110 Q111 M112 R119 K147S110-E114 VanDerWaalsContact O-CG 3.24Å; S110-E114 WeakPolarHBondContact O-CG 3.33Å; Q111-E114 WeakPolarHBondContact O-CB 3.15Å; Q111-E114 PolarHBondContact O-N 2.91Å; M112-E114 PolarHBondContact O-N 2.85Å; E114-R119 PolarHBondContact O-NH1 3.39Å; E114-K147 IonicContact OE1-NZ 2.8Å; E114-K147 PolarHBondContact OE1-NZ 3.36Å
115S89Confident88.2Confident28 Ų2849.7 Ų49.720%0.19625%0.249CC..SBendtrans-81125.7179177.80000112.4M112 V113 T117 W118 R119M112-S115 PolarHBondContact O-N 3.41Å; V113-S115 VanDerWaalsContact C-N 3.25Å; V113-S115 PolarHBondContact O-N 3.23Å; S115-T117 VanDerWaalsContact C-N 3.31Å; S115-T117 PolarHBondContact O-N 3.24Å; S115-T117 PolarHBondContact OG-N 2.87Å; S115-W118 VanDerWaalsContact CB-CD1 3.4Å; S115-W118 PolarHBondContact O-N 3.31Å; S115-R119 WeakPolarHBondContact O-CG 3.28Å; S115-R119 PolarHBondContact O-N 3Å
116P88.4Confident88.5Confident84 Ų8449.8 Ų49.855%0.54525%0.251SS..Hα-helixtrans-57.4-39.7173.8-23.132.9000113.6W118 R119 Q120P116-W118 VanDerWaalsContact C-N 3.32Å; P116-W118 PolarHBondContact O-N 3.35Å; P116-R119 PolarHBondContact O-N 3.43Å; P116-Q120 PolarHBondContact O-N 2.96Å
117T87.9Confident88.7Confident44 Ų4450.9 Ų50.927%0.2726%0.255SS..Hα-helixtrans-60-43.5-179.8-50.30000111.4E77 S115 T121E77-T117 HydrophobicContact CB-CG2 4.39Å; E77-T117 PolarHBondContact OE2-OG1 2.75Å; S115-T117 VanDerWaalsContact C-N 3.31Å; S115-T117 PolarHBondContact O-N 3.24Å; S115-T117 PolarHBondContact OG-N 2.87Å; T117-T121 PolarHBondContact O-N 3.26Å; T117-T121 VanDerWaalsContact O-N 3.14Å; T117-T121 PolarHBondContact O-OG1 2.97Å
118W90.8Very high88.8Confident54 Ų5449.1 Ų49.121%0.20525%0.247CC..Hα-helixtrans-77.2-37.5-178.2-60.9135.9000112.3E77 V80 K81 I84 M112 S115 P116 Q120 T121 I122E77-W118 HydrophobicContact CG-CZ2 4.23Å; V80-W118 HydrophobicContact CB-CH2 4.04Å; V80-W118 HydrophobicContact CG1-CH2 3.64Å; V80-W118 HydrophobicContact CG1-CZ3 4.08Å; K81-W118 HydrophobicContact CB-CZ3 4.46Å; I84-W118 HydrophobicContact CD1-CZ3 4.07Å; M112-W118 HydrophobicContact CE-CB 3.77Å; M112-W118 HydrophobicContact CE-CD2 4.38Å; M112-W118 HydrophobicContact CE-CE3 4.31Å; M112-W118 HydrophobicContact CE-CG 4.18Å; M112-W118 HydrophobicContact CG-CB 3.59Å; M112-W118 HydrophobicContact CG-CG 3.95Å; M112-W118 WeakPolarHBondContact O-CB 3.16Å; S115-W118 VanDerWaalsContact CB-CD1 3.4Å; S115-W118 PolarHBondContact O-N 3.31Å; P116-W118 VanDerWaalsContact C-N 3.32Å; P116-W118 PolarHBondContact O-N 3.35Å; W118-Q120 VanDerWaalsContact C-N 3.34Å; W118-Q120 PolarHBondContact O-N 3.2Å; W118-T121 WeakPolarHBondContact O-CB 3.47Å; W118-T121 PolarHBondContact O-N 3.5Å; W118-T121 VanDerWaalsContact O-N 3.09Å; W118-I122 WeakPolarHBondContact O-CG1 3.43Å; W118-I122 PolarHBondContact O-N 3.33Å
119R92.8Very high88.5Confident18 Ų1849.2 Ų49.27%0.06826%0.261CS..Hα-helixtrans-55.9-48.2169.2-71.4-161.7-55.8-82.64.3111.8V113 E114 S115 P116 T121 I122 Y123 E153V113-R119 HydrophobicContact CG1-CG 4.31Å; V113-R119 WeakPolarHBondContact O-CD 3.48Å; V113-R119 WeakPolarHBondContact O-CG 3.5Å; V113-R119 PolarHBondContact O-NH1 2.95Å; E114-R119 PolarHBondContact O-NH1 3.39Å; S115-R119 WeakPolarHBondContact O-CG 3.28Å; S115-R119 PolarHBondContact O-N 3Å; P116-R119 PolarHBondContact O-N 3.43Å; R119-T121 PolarHBondContact O-N 3.11Å; R119-I122 WeakPolarHBondContact O-CB 3.34Å; R119-I122 PolarHBondContact O-N 3.35Å; R119-Y123 HydrophobicContact CB-CE2 3.97Å; R119-Y123 WeakPolarHBondContact O-CD2 3.42Å; R119-Y123 VanDerWaalsContact O-CG 3.23Å; R119-Y123 PolarHBondContact O-N 3.38Å; R119-E153 IonicContact CZ-OE1 3.59Å; R119-E153 IonicContact CZ-OE2 3.68Å; R119-E153 IonicContact NE-OE1 3.78Å; R119-E153 PolarHBondContact NE-OE1 3.22Å; R119-E153 IonicContact NE-OE2 3.57Å; R119-E153 PolarHBondContact NE-OE2 3.33Å; R119-E153 IonicContact NH2-OE1 3.76Å; R119-E153 PolarHBondContact NH2-OE1 3.12Å; R119-E153 IonicContact NH2-OE2 2.9Å
120Q90Very high88.2Confident83 Ų8358 Ų5839%0.38829%0.294SS..Hα-helixtrans-59.6-35.6176.7-170.861.344.200112.3P116 W118 Y123 N124P116-Q120 PolarHBondContact O-N 2.96Å; W118-Q120 VanDerWaalsContact C-N 3.34Å; W118-Q120 PolarHBondContact O-N 3.2Å; Q120-Y123 PolarHBondContact O-N 3.48Å; Q120-N124 PolarHBondContact NE2-OD1 3.25Å; Q120-N124 WeakPolarHBondContact O-CB 3.32Å; Q120-N124 PolarHBondContact O-N 3.09Å; Q120-N124 PolarHBondContact O-OD1 3.14Å
121T90.5Very high88.1Confident1 Ų155.6 Ų55.61%0.00628%0.276CS..Hα-helixtrans-66.3-42.8175.8-53.70000111.2K81 I84 L85 T117 W118 R119 Y123 N124 L125K81-T121 HydrophobicContact CG-CG2 4.22Å; K81-T121 WeakPolarHBondContact CG-OG1 3.41Å; I84-T121 HydrophobicContact CB-CG2 4.44Å; I84-T121 HydrophobicContact CG2-CG2 3.98Å; L85-T121 HydrophobicContact CD2-CG2 4.32Å; L85-T121 HydrophobicContact CG-CG2 4.45Å; T117-T121 PolarHBondContact O-N 3.26Å; T117-T121 VanDerWaalsContact O-N 3.14Å; T117-T121 PolarHBondContact O-OG1 2.97Å; W118-T121 WeakPolarHBondContact O-CB 3.47Å; W118-T121 PolarHBondContact O-N 3.5Å; W118-T121 VanDerWaalsContact O-N 3.09Å; R119-T121 PolarHBondContact O-N 3.11Å; T121-Y123 VanDerWaalsContact C-N 3.34Å; T121-Y123 PolarHBondContact O-N 2.9Å; T121-N124 PolarHBondContact O-N 3.29Å; T121-L125 HydrophobicContact CG2-CD1 4.5Å; T121-L125 VanDerWaalsContact O-CG 3.32Å; T121-L125 WeakPolarHBondContact O-CG 3.4Å; T121-L125 PolarHBondContact O-N 3.19Å
122I90.9Very high87.6Confident3 Ų355.5 Ų55.52%0.01528%0.276CS..Hα-helixtrans-60-44.1174.1-65.2168.6000110.7L109 M112 V113 W118 R119 L125 A126 L137 S140 M141 I144L109-I122 HydrophobicContact CD1-CD1 4.41Å; M112-I122 HydrophobicContact CE-CD1 4.35Å; M112-I122 HydrophobicContact CE-CG1 4.25Å; V113-I122 HydrophobicContact CG2-CD1 4.15Å; W118-I122 WeakPolarHBondContact O-CG1 3.43Å; W118-I122 PolarHBondContact O-N 3.33Å; R119-I122 WeakPolarHBondContact O-CB 3.34Å; R119-I122 PolarHBondContact O-N 3.35Å; I122-L125 PolarHBondContact O-N 2.9Å; I122-A126 WeakPolarHBondContact O-CB 3.36Å; I122-A126 PolarHBondContact O-N 3.29Å; I122-L137 HydrophobicContact CG2-CD2 4.25Å; I122-S140 WeakPolarHBondContact CG2-OG 3.44Å; I122-M141 HydrophobicContact CG2-CE 3.83Å; I122-I144 HydrophobicContact CG2-CD1 4.2Å
123Y91Very high87.2Confident1 Ų159.8 Ų59.80%0.00430%0.3CS..Hα-helixtrans-63-47177.6-55.1-30.1000112.2R119 Q120 T121 L125 A126 Q127 I144 E153 L154 V157R119-Y123 HydrophobicContact CB-CE2 3.97Å; R119-Y123 WeakPolarHBondContact O-CD2 3.42Å; R119-Y123 VanDerWaalsContact O-CG 3.23Å; R119-Y123 PolarHBondContact O-N 3.38Å; Q120-Y123 PolarHBondContact O-N 3.48Å; T121-Y123 VanDerWaalsContact C-N 3.34Å; T121-Y123 PolarHBondContact O-N 2.9Å; Y123-L125 VanDerWaalsContact C-N 3.27Å; Y123-L125 PolarHBondContact O-N 2.97Å; Y123-A126 PolarHBondContact O-N 2.96Å; Y123-A126 VanDerWaalsContact O-N 3.11Å; Y123-Q127 WeakPolarHBondContact O-CG 3.42Å; Y123-Q127 PolarHBondContact O-N 2.92Å; Y123-I144 HydrophobicContact CE1-CD1 3.7Å; Y123-I144 WeakPolarHBondContact OH-CG2 3.27Å; Y123-E153 HydrophobicContact CE2-CB 3.67Å; Y123-E153 HydrophobicContact CE2-CG 4.36Å; Y123-E153 WeakPolarHBondContact CE2-OE2 3.27Å; Y123-E153 VanDerWaalsContact CZ-OE2 3.32Å; Y123-E153 WeakPolarHBondContact OH-CB 3.31Å; Y123-E153 PolarHBondContact OH-OE2 2.84Å; Y123-L154 HydrophobicContact CE1-CD2 3.75Å; Y123-V157 HydrophobicContact CD1-CG2 3.6Å; Y123-V157 HydrophobicContact CE1-CG2 4.23Å; Y123-V157 HydrophobicContact CG-CG2 3.8Å
124N90.2Very high87.1Confident53 Ų5359.6 Ų59.628%0.28330%0.298SS..Hα-helixtrans-60.5-38.4177.6-71.72.2000111.7L85 Q120 T121L85-N124 HydrophobicContact CD2-CB 3.65Å; Q120-N124 PolarHBondContact NE2-OD1 3.25Å; Q120-N124 WeakPolarHBondContact O-CB 3.32Å; Q120-N124 PolarHBondContact O-N 3.09Å; Q120-N124 PolarHBondContact O-OD1 3.14Å; T121-N124 PolarHBondContact O-N 3.29Å
125L90.6Very high86.9Confident12 Ų1256.5 Ų56.56%0.06329%0.289CS..Hα-helixtrans-66.3-43.3173.6-72.6173.7000111.9I84 L85 Y88 T121 I122 Y123 H128 N131 L137I84-L125 HydrophobicContact CG2-CD1 3.88Å; L85-L125 HydrophobicContact CD2-CD2 3.85Å; L85-L125 HydrophobicContact CD2-CG 3.92Å; Y88-L125 HydrophobicContact CD1-CD2 4.08Å; Y88-L125 HydrophobicContact CD2-CD1 3.7Å; Y88-L125 HydrophobicContact CD2-CD2 4.09Å; Y88-L125 HydrophobicContact CE2-CD1 3.97Å; Y88-L125 HydrophobicContact CG-CD1 4.11Å; Y88-L125 HydrophobicContact CG-CD2 3.64Å; Y88-L125 HydrophobicContact CG-CG 4.48Å; T121-L125 HydrophobicContact CG2-CD1 4.5Å; T121-L125 VanDerWaalsContact O-CG 3.32Å; T121-L125 WeakPolarHBondContact O-CG 3.4Å; T121-L125 PolarHBondContact O-N 3.19Å; I122-L125 PolarHBondContact O-N 2.9Å; Y123-L125 VanDerWaalsContact C-N 3.27Å; Y123-L125 PolarHBondContact O-N 2.97Å; L125-H128 WeakPolarHBondContact O-CB 3.45Å; L125-H128 PolarHBondContact O-N 3.12Å; L125-N131 VanDerWaalsContact O-CB 3.31Å; L125-N131 WeakPolarHBondContact O-CB 3.4Å; L125-N131 PolarHBondContact O-ND2 3.42Å; L125-L137 HydrophobicContact CB-CD1 4.02Å; L125-L137 HydrophobicContact CB-CD2 4.16Å; L125-L137 HydrophobicContact CD1-CD2 4.47Å
126A88.3Confident86.8Confident9 Ų956 Ų567%0.07428%0.284CS..Hα-helixtrans-68.2-32.9-178.100000113.3I122 Y123 H128 L137 M141 V157 L159I122-A126 WeakPolarHBondContact O-CB 3.36Å; I122-A126 PolarHBondContact O-N 3.29Å; Y123-A126 PolarHBondContact O-N 2.96Å; Y123-A126 VanDerWaalsContact O-N 3.11Å; A126-H128 VanDerWaalsContact C-N 3.28Å; A126-H128 PolarHBondContact O-N 3.39Å; A126-L137 HydrophobicContact CB-CD1 4.37Å; A126-M141 HydrophobicContact CB-CE 4.09Å; A126-V157 HydrophobicContact CB-CG1 4.02Å; A126-L159 HydrophobicContact CB-CB 4.29Å; A126-L159 HydrophobicContact CB-CD2 3.83Å
127Q87Confident86.9Confident94 Ų9452.1 Ų52.144%0.43926%0.258SS..Hα-helixtrans-77.1-13.6176.7-69.3176.315.700113Y123 P129 S156Y123-Q127 WeakPolarHBondContact O-CG 3.42Å; Y123-Q127 PolarHBondContact O-N 2.92Å; Q127-P129 WeakPolarHBondContact O-CD 3.36Å; Q127-S156 PolarHBondContact NE2-O 3.42Å
128H86.1Confident86.8Confident87 Ų8752.1 Ų52.140%0.40326%0.26SS..SBendtrans-73.7127.1178.8-161.1-46.6000110.3L125 A126 R130 N131L125-H128 WeakPolarHBondContact O-CB 3.45Å; L125-H128 PolarHBondContact O-N 3.12Å; A126-H128 VanDerWaalsContact C-N 3.28Å; A126-H128 PolarHBondContact O-N 3.39Å; H128-R130 PolarHBondContact ND1-N 2.93Å; H128-R130 PolarHBondContact O-N 3.06Å; H128-N131 PolarHBondContact O-N 3.45Å
129P80.8Confident86.7Confident108 Ų10852.7 Ų52.770%0.70127%0.266SS*.G310 helixtrans-56.6-17.2-177.1-29.434.1000116.3Q127 N131Q127-P129 WeakPolarHBondContact O-CD 3.36Å; P129-N131 VanDerWaalsContact C-N 3.26Å; P129-N131 PolarHBondContact O-N 2.98Å
130R81.4Confident86.5Confident184 Ų18451.8 Ų51.869%0.69426%0.263SS*.G310 helixtrans-75.9-18.3178.9-66.5179.1-179.5179.31.7112.5R90 H128R90-R130 PolarHBondContact NH1-O 3.39Å; R90-R130 VanDerWaalsContact NH1-O 3.11Å; H128-R130 PolarHBondContact ND1-N 2.93Å; H128-R130 PolarHBondContact O-N 3.06Å
131N83.3Confident86.6Confident10 Ų1047.9 Ų47.95%0.05325%0.245CC..G310 helixtrans-114.39.3-168.5-63.6-25.1000113.6L125 H128 P129 D133 C134 L137L125-N131 VanDerWaalsContact O-CB 3.31Å; L125-N131 WeakPolarHBondContact O-CB 3.4Å; L125-N131 PolarHBondContact O-ND2 3.42Å; H128-N131 PolarHBondContact O-N 3.45Å; P129-N131 VanDerWaalsContact C-N 3.26Å; P129-N131 PolarHBondContact O-N 2.98Å; N131-D133 VanDerWaalsContact C-N 3.27Å; N131-D133 PolarHBondContact O-N 3.03Å; N131-C134 HydrophobicContact CB-CB 4.36Å; N131-C134 WeakPolarHBondContact O-CB 3.47Å; N131-C134 PolarHBondContact O-N 3.39Å; N131-L137 HydrophobicContact CB-CD1 3.76Å
132E77Confident86.5Confident121 Ų12150.5 Ų50.557%0.56526%0.262SS*.THydrogen-bonded Turntrans-53.5-43.2-177.6-171.7174.2-177.300112.4C134 L159E132-C134 PolarHBondContact O-N 3.31Å; E132-L159 VanDerWaalsContact O-CD1 3.27Å; E132-L159 WeakPolarHBondContact O-CD1 3.34Å
133D79.1Confident86.3Confident135 Ų13551.3 Ų51.372%0.72227%0.268SS*.THydrogen-bonded Turntrans-94.420.5179.4-60.7-42.9000113.6N131 P135N131-D133 VanDerWaalsContact C-N 3.27Å; N131-D133 PolarHBondContact O-N 3.03Å; D133-P135 WeakPolarHBondContact O-CD 3.22Å
134C85.6Confident86.2Confident1 Ų151.3 Ų51.31%0.00727%0.268CS..  trans-73.5116.7-177-174.10000111.3Y88 N131 E132 F136 L137 S138Y88-C134 PolarHBondContact OH-SG 3.41Å; N131-C134 HydrophobicContact CB-CB 4.36Å; N131-C134 WeakPolarHBondContact O-CB 3.47Å; N131-C134 PolarHBondContact O-N 3.39Å; E132-C134 PolarHBondContact O-N 3.31Å; C134-F136 VanDerWaalsContact C-N 3.33Å; C134-F136 PolarHBondContact O-N 3.41Å; C134-L137 HydrophobicContact CB-CB 4.06Å; C134-L137 HydrophobicContact CB-CD1 3.87Å; C134-L137 HydrophobicContact CB-CG 3.97Å; C134-L137 PolarHBondContact O-N 3.47Å; C134-S138 WeakPolarHBondContact O-CB 3.49Å; C134-S138 PolarHBondContact O-N 3.37Å; C134-S138 PolarHBondContact O-OG 2.98Å
135P84.1Confident86.2Confident57 Ų5749 Ų4937%0.3726%0.256SS..Hα-helixtrans-66.6-35.3-178.4-22.336000112.6I94 L97 D133 S138 L139I94-P135 HydrophobicContact CD1-CG 4.29Å; I94-P135 HydrophobicContact CG1-CG 4.06Å; L97-P135 HydrophobicContact CD1-CB 3.75Å; D133-P135 WeakPolarHBondContact O-CD 3.22Å; P135-S138 PolarHBondContact O-N 3.37Å; P135-L139 WeakPolarHBondContact O-CB 3.48Å; P135-L139 PolarHBondContact O-N 3.35Å
136F87.9Confident86Confident18 Ų1853.6 Ų53.68%0.07928%0.284CS..Hα-helixtrans-63.9-46.8178175.5-92.7000111.5A93 L97 T105 W108 L109 C134 S138 L139 S140A93-F136 HydrophobicContact CB-CB 4.03Å; A93-F136 HydrophobicContact CB-CG 4.32Å; L97-F136 HydrophobicContact CD1-CB 4.32Å; L97-F136 HydrophobicContact CD2-CD2 4.31Å; T105-F136 HydrophobicContact CG2-CE2 4.05Å; W108-F136 AromaticContact CH2-CE2 3.68Å; W108-F136 HydrophobicContact CH2-CE2 3.68Å; W108-F136 AromaticContact CH2-CZ 3.46Å; W108-F136 HydrophobicContact CH2-CZ 3.46Å; W108-F136 VanDerWaalsContact CH2-CZ 3.46Å; W108-F136 HydrophobicContact CZ2-CE2 4.05Å; W108-F136 HydrophobicContact CZ2-CZ 4.29Å; W108-F136 HydrophobicContact CZ3-CZ 4.17Å; L109-F136 HydrophobicContact CD1-CZ 4.12Å; C134-F136 VanDerWaalsContact C-N 3.33Å; C134-F136 PolarHBondContact O-N 3.41Å; F136-S138 VanDerWaalsContact C-N 3.34Å; F136-L139 PolarHBondContact O-N 2.61Å; F136-S140 PolarHBondContact O-N 3.36Å
137L89.4Confident85.9Confident1 Ų157.3 Ų57.31%0.00530%0.299CS..Hα-helixtrans-66.4-39.4176.8-61.4177.1000111.1Y88 I122 L125 A126 N131 C134 L139 S140 M141 L159Y88-L137 HydrophobicContact CE1-CD1 4.35Å; I122-L137 HydrophobicContact CG2-CD2 4.25Å; L125-L137 HydrophobicContact CB-CD1 4.02Å; L125-L137 HydrophobicContact CB-CD2 4.16Å; L125-L137 HydrophobicContact CD1-CD2 4.47Å; A126-L137 HydrophobicContact CB-CD1 4.37Å; N131-L137 HydrophobicContact CB-CD1 3.76Å; C134-L137 HydrophobicContact CB-CB 4.06Å; C134-L137 HydrophobicContact CB-CD1 3.87Å; C134-L137 HydrophobicContact CB-CG 3.97Å; C134-L137 PolarHBondContact O-N 3.47Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 2.88Å; L137-S140 PolarHBondContact O-N 3Å; L137-S140 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-OG 2.82Å; L137-M141 WeakPolarHBondContact O-CE 3.38Å; L137-M141 WeakPolarHBondContact O-CG 3.44Å; L137-M141 PolarHBondContact O-N 3.17Å; L137-L159 HydrophobicContact CB-CD2 3.68Å
138S87Confident85.7Confident45 Ų4560.5 Ų60.532%0.31531%0.313SS..Hα-helixtrans-58.6-40.6173.8-61.30000112.5C134 P135 F136 S140 M141 P142C134-S138 WeakPolarHBondContact O-CB 3.49Å; C134-S138 PolarHBondContact O-N 3.37Å; C134-S138 PolarHBondContact O-OG 2.98Å; P135-S138 PolarHBondContact O-N 3.37Å; F136-S138 VanDerWaalsContact C-N 3.34Å; S138-S140 VanDerWaalsContact C-N 3.35Å; S138-M141 PolarHBondContact O-N 3.37Å; S138-P142 WeakPolarHBondContact O-CD 3.46Å
139L87.1Confident85.7Confident65 Ų6561.4 Ų61.434%0.3433%0.33SS..Hα-helixtrans-69.3-31.6176.8-175.266.6000112.7L97 M106 P135 F136 L137 M141 P142L97-L139 HydrophobicContact CD2-CD2 3.41Å; L97-L139 VanDerWaalsContact CD2-CD2 3.41Å; M106-L139 HydrophobicContact SD-CD1 4.4Å; M106-L139 HydrophobicContact SD-CD2 3.8Å; M106-L139 HydrophobicContact SD-CG 4.09Å; P135-L139 WeakPolarHBondContact O-CB 3.48Å; P135-L139 PolarHBondContact O-N 3.35Å; F136-L139 PolarHBondContact O-N 2.61Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 2.88Å; L139-M141 VanDerWaalsContact C-N 3.29Å; L139-M141 PolarHBondContact O-N 2.93Å; L139-P142 VanDerWaalsContact O-CD 3.31Å; L139-P142 WeakPolarHBondContact O-CD 3.34Å
140S88.7Confident86.1Confident0 Ų056.9 Ų56.90%030%0.299CS..Hα-helixtrans-68.4-26.3177.273.50000113.4I122 F136 L137 S138 C143 I144I122-S140 WeakPolarHBondContact CG2-OG 3.44Å; F136-S140 PolarHBondContact O-N 3.36Å; L137-S140 PolarHBondContact O-N 3Å; L137-S140 VanDerWaalsContact O-N 3.15Å; L137-S140 PolarHBondContact O-OG 2.82Å; S138-S140 VanDerWaalsContact C-N 3.35Å; S140-C143 WeakPolarHBondContact O-CB 3.44Å; S140-C143 PolarHBondContact O-N 3.38Å; S140-I144 WeakPolarHBondContact O-CG1 3.49Å; S140-I144 PolarHBondContact O-N 3.24Å; S140-I144 VanDerWaalsContact O-N 3.07Å
141M91.7Very high86.5Confident1 Ų148.5 Ų48.51%0.00527%0.269CS..Hα-helixtrans-61.8-49.4-179.1-57.5-63.7125.500112I122 A126 L137 S138 L139 C143 I144 A145 L154 V157 L159 A160 I166I122-M141 HydrophobicContact CG2-CE 3.83Å; A126-M141 HydrophobicContact CB-CE 4.09Å; L137-M141 WeakPolarHBondContact O-CE 3.38Å; L137-M141 WeakPolarHBondContact O-CG 3.44Å; L137-M141 PolarHBondContact O-N 3.17Å; S138-M141 PolarHBondContact O-N 3.37Å; L139-M141 VanDerWaalsContact C-N 3.29Å; L139-M141 PolarHBondContact O-N 2.93Å; M141-C143 VanDerWaalsContact C-N 3.33Å; M141-C143 PolarHBondContact O-N 2.89Å; M141-I144 PolarHBondContact O-N 3.4Å; M141-A145 WeakPolarHBondContact O-CB 3.35Å; M141-A145 PolarHBondContact O-N 3.14Å; M141-L154 HydrophobicContact SD-CD2 3.94Å; M141-V157 HydrophobicContact CE-CG1 4.43Å; M141-V157 HydrophobicContact SD-CG1 3.99Å; M141-L159 HydrophobicContact CE-CD2 4.45Å; M141-L159 HydrophobicContact CG-CG 4.47Å; M141-A160 HydrophobicContact CB-CB 4.49Å; M141-A160 HydrophobicContact CG-CB 4.31Å; M141-A160 HydrophobicContact SD-CB 3.94Å; M141-I166 VanDerWaalsContact C-CD1 3.5Å; M141-I166 HydrophobicContact CB-CD1 3.71Å
142P88.5Confident86.7Confident55 Ų5549.2 Ų49.236%0.35728%0.278SS..Hα-helixtrans-55.5-40.8171-28.432.6000114.7S138 L139 I144 A145 V146 I166S138-P142 WeakPolarHBondContact O-CD 3.46Å; L139-P142 VanDerWaalsContact O-CD 3.31Å; L139-P142 WeakPolarHBondContact O-CD 3.34Å; P142-I144 VanDerWaalsContact C-N 3.33Å; P142-I144 PolarHBondContact O-N 2.91Å; P142-A145 PolarHBondContact O-N 3.41Å; P142-V146 WeakPolarHBondContact O-CG2 3.36Å; P142-V146 PolarHBondContact O-N 3.12Å; P142-I166 HydrophobicContact CG-CD1 4.09Å
143C87.9Confident87.3Confident21 Ų2146.3 Ų46.314%0.14227%0.265CS..Hα-helixtrans-60.5-42.5178.9-62.80000111.8M106 L109 S140 M141M106-C143 WeakPolarHBondContact CE-SG 3.45Å; L109-C143 HydrophobicContact CD2-CB 4.49Å; S140-C143 WeakPolarHBondContact O-CB 3.44Å; S140-C143 PolarHBondContact O-N 3.38Å; M141-C143 VanDerWaalsContact C-N 3.33Å; M141-C143 PolarHBondContact O-N 2.89Å
144I89.4Confident87.8Confident0 Ų039.9 Ų39.90%023%0.23CC..Hα-helixtrans-68.3-44176.3-60.9168.5000110.3V113 I122 Y123 S140 M141 P142 V146 K147 L150 L154V113-I144 HydrophobicContact CB-CG1 4.32Å; V113-I144 HydrophobicContact CG1-CB 4.21Å; V113-I144 HydrophobicContact CG1-CG1 3.6Å; V113-I144 HydrophobicContact CG2-CD1 4.42Å; V113-I144 HydrophobicContact CG2-CG1 3.7Å; I122-I144 HydrophobicContact CG2-CD1 4.2Å; Y123-I144 HydrophobicContact CE1-CD1 3.7Å; Y123-I144 WeakPolarHBondContact OH-CG2 3.27Å; S140-I144 WeakPolarHBondContact O-CG1 3.49Å; S140-I144 PolarHBondContact O-N 3.24Å; S140-I144 VanDerWaalsContact O-N 3.07Å; M141-I144 PolarHBondContact O-N 3.4Å; P142-I144 VanDerWaalsContact C-N 3.33Å; P142-I144 PolarHBondContact O-N 2.91Å; I144-V146 PolarHBondContact O-N 3.19Å; I144-V146 VanDerWaalsContact O-N 3.09Å; I144-K147 PolarHBondContact O-N 2.95Å; I144-L150 HydrophobicContact CG2-CB 4.06Å; I144-L150 HydrophobicContact CG2-CD1 4.11Å; I144-L154 HydrophobicContact CB-CD1 4.37Å; I144-L154 HydrophobicContact CB-CD2 4.34Å; I144-L154 HydrophobicContact CD1-CD2 4.49Å; I144-L154 HydrophobicContact CG2-CD1 4Å; I144-L154 HydrophobicContact CG2-CD2 3.93Å; I144-L154 HydrophobicContact CG2-CG 3.99Å
145A88.7Confident88Confident4 Ų440 Ų403%0.03323%0.231CC..THydrogen-bonded Turntrans-69.8-3.4-176.500000115M141 P142 K147 I151 L154 I166 K169M141-A145 WeakPolarHBondContact O-CB 3.35Å; M141-A145 PolarHBondContact O-N 3.14Å; P142-A145 PolarHBondContact O-N 3.41Å; A145-K147 VanDerWaalsContact C-N 3.35Å; A145-I151 HydrophobicContact CB-CD1 4.05Å; A145-L154 HydrophobicContact CB-CD1 3.75Å; A145-I166 HydrophobicContact CB-CD1 4.04Å; A145-I166 HydrophobicContact CB-CG1 3.84Å; A145-I166 HydrophobicContact CB-CG2 4.19Å; A145-K169 PolarHBondContact O-NZ 2.98Å
146V87.1Confident88.1Confident109 Ų10939.5 Ų39.566%0.66123%0.229SC*.THydrogen-bonded Turntrans-63.5-40.9171.6179.10000110.8P142 I144P142-V146 WeakPolarHBondContact O-CG2 3.36Å; P142-V146 PolarHBondContact O-N 3.12Å; I144-V146 PolarHBondContact O-N 3.19Å; I144-V146 VanDerWaalsContact O-N 3.09Å
147K85.4Confident88.2Confident88 Ų8838.6 Ų38.638%0.38323%0.225SC..SBendtrans-88.4114.4179.9-65179.2-179.2175.70109.6E114 I144 A145 S149 L150E114-K147 IonicContact OE1-NZ 2.8Å; E114-K147 PolarHBondContact OE1-NZ 3.36Å; I144-K147 PolarHBondContact O-N 2.95Å; A145-K147 VanDerWaalsContact C-N 3.35Å; K147-S149 PolarHBondContact O-N 3.04Å; K147-L150 HydrophobicContact CB-CD1 3.93Å; K147-L150 HydrophobicContact CB-CG 3.96Å; K147-L150 HydrophobicContact CD-CD1 4.09Å; K147-L150 HydrophobicContact CG-CD1 4.49Å; K147-L150 PolarHBondContact O-N 3.37Å
148E83.3Confident88.2Confident160 Ų16040.1 Ų40.175%0.74824%0.235SC*.G310 helixtrans-59.9-30.2-178.3-68.4-173.1168.500113.4L150 I151E148-L150 PolarHBondContact O-N 2.94Å; E148-I151 WeakPolarHBondContact O-CG1 3.45Å; E148-I151 PolarHBondContact O-N 3.2Å
149S86.6Confident88.3Confident106 Ų10638.5 Ų38.574%0.74122%0.223SC*.G310 helixtrans-64.1-18.7176.556.40000114.2K147K147-S149 PolarHBondContact O-N 3.04Å
150L88.9Confident88.4Confident13 Ų1335.4 Ų35.47%0.06821%0.206CC..G310 helixtrans-95.2-5.3-179.1-57.9-177.6000113.2I144 K147 E148 G152 E153 L154I144-L150 HydrophobicContact CG2-CB 4.06Å; I144-L150 HydrophobicContact CG2-CD1 4.11Å; K147-L150 HydrophobicContact CB-CD1 3.93Å; K147-L150 HydrophobicContact CB-CG 3.96Å; K147-L150 HydrophobicContact CD-CD1 4.09Å; K147-L150 HydrophobicContact CG-CD1 4.49Å; K147-L150 PolarHBondContact O-N 3.37Å; E148-L150 PolarHBondContact O-N 2.94Å; L150-G152 PolarHBondContact O-N 3.11Å; L150-E153 WeakPolarHBondContact O-CB 3.42Å; L150-E153 PolarHBondContact O-N 3.49Å; L150-L154 PolarHBondContact O-N 3.23Å
151I89Confident88.4Confident9 Ų936 Ų365%0.04621%0.209CC..Hα-helixtrans-60.8-35-178.6-62.1-59.9000111.4A145 E148 E153 L154 V155 K169 Y173A145-I151 HydrophobicContact CB-CD1 4.05Å; E148-I151 WeakPolarHBondContact O-CG1 3.45Å; E148-I151 PolarHBondContact O-N 3.2Å; I151-E153 PolarHBondContact O-N 3.44Å; I151-L154 HydrophobicContact CD1-CD1 4.28Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-L154 VanDerWaalsContact O-N 3.1Å; I151-V155 WeakPolarHBondContact O-CG2 3.49Å; I151-V155 PolarHBondContact O-N 2.91Å; I151-K169 HydrophobicContact CD1-CB 4.02Å; I151-K169 HydrophobicContact CD1-CD 3.81Å; I151-K169 HydrophobicContact CG1-CB 4.43Å; I151-K169 HydrophobicContact CG2-CB 4.24Å; I151-Y173 HydrophobicContact CB-CD2 4.46Å; I151-Y173 HydrophobicContact CG2-CD2 4.32Å; I151-Y173 HydrophobicContact CG2-CG 4.16Å
152G87.8Confident88.3Confident25 Ų2540.8 Ų40.826%0.25823%0.234SC..Hα-helixtrans-60.3-30.417600000114L150 Y173L150-G152 PolarHBondContact O-N 3.11Å; G152-Y173 VanDerWaalsContact CA-CE1 3.48Å
153E90Very high88.3Confident60 Ų6041 Ų4128%0.2823%0.234SC..Hα-helixtrans-71.5-40.4175.1-59178.8-167.600110.8R119 Y123 L150 I151 V155 S156R119-E153 IonicContact CZ-OE1 3.59Å; R119-E153 IonicContact CZ-OE2 3.68Å; R119-E153 IonicContact NE-OE1 3.78Å; R119-E153 PolarHBondContact NE-OE1 3.22Å; R119-E153 IonicContact NE-OE2 3.57Å; R119-E153 PolarHBondContact NE-OE2 3.33Å; R119-E153 IonicContact NH2-OE1 3.76Å; R119-E153 PolarHBondContact NH2-OE1 3.12Å; R119-E153 IonicContact NH2-OE2 2.9Å; Y123-E153 HydrophobicContact CE2-CB 3.67Å; Y123-E153 HydrophobicContact CE2-CG 4.36Å; Y123-E153 WeakPolarHBondContact CE2-OE2 3.27Å; Y123-E153 VanDerWaalsContact CZ-OE2 3.32Å; Y123-E153 WeakPolarHBondContact OH-CB 3.31Å; Y123-E153 PolarHBondContact OH-OE2 2.84Å; L150-E153 WeakPolarHBondContact O-CB 3.42Å; L150-E153 PolarHBondContact O-N 3.49Å; I151-E153 PolarHBondContact O-N 3.44Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 2.97Å; E153-S156 PolarHBondContact O-N 3.42Å; E153-S156 PolarHBondContact O-OG 3.26Å
154L89.9Confident88.4Confident0 Ų045 Ų450%025%0.254CS..Hα-helixtrans-70.4-19.9-178.7-67.2177.3000114.2Y123 M141 I144 A145 L150 I151 S156 V157 A160 I166Y123-L154 HydrophobicContact CE1-CD2 3.75Å; M141-L154 HydrophobicContact SD-CD2 3.94Å; I144-L154 HydrophobicContact CB-CD1 4.37Å; I144-L154 HydrophobicContact CB-CD2 4.34Å; I144-L154 HydrophobicContact CD1-CD2 4.49Å; I144-L154 HydrophobicContact CG2-CD1 4Å; I144-L154 HydrophobicContact CG2-CD2 3.93Å; I144-L154 HydrophobicContact CG2-CG 3.99Å; A145-L154 HydrophobicContact CB-CD1 3.75Å; L150-L154 PolarHBondContact O-N 3.23Å; I151-L154 HydrophobicContact CD1-CD1 4.28Å; I151-L154 PolarHBondContact O-N 3.14Å; I151-L154 VanDerWaalsContact O-N 3.1Å; L154-S156 PolarHBondContact O-N 3.4Å; L154-S156 VanDerWaalsContact O-N 3.15Å; L154-V157 PolarHBondContact O-N 2.91Å; L154-A160 HydrophobicContact CB-CB 4.26Å; L154-A160 HydrophobicContact CD2-CB 4.18Å; L154-I166 HydrophobicContact CD1-CG2 4.02Å
155V90Very high88.5Confident2 Ų247.2 Ų47.21%0.01228%0.277CS..THydrogen-bonded Turntrans-61.2-18.8173.21700000111.9I151 E153 W161 C170 Y173 V174 H264 M268I151-V155 WeakPolarHBondContact O-CG2 3.49Å; I151-V155 PolarHBondContact O-N 2.91Å; E153-V155 VanDerWaalsContact C-N 3.28Å; E153-V155 PolarHBondContact O-N 2.97Å; V155-W161 VanDerWaalsContact O-CZ2 3.27Å; V155-W161 WeakPolarHBondContact O-CZ2 3.34Å; V155-C170 HydrophobicContact CG2-CB 3.9Å; V155-Y173 HydrophobicContact CG2-CD1 3.78Å; V155-Y173 HydrophobicContact CG2-CE1 4.44Å; V155-Y173 HydrophobicContact CG2-CG 4.4Å; V155-V174 HydrophobicContact CB-CG1 4.43Å; V155-V174 HydrophobicContact CG1-CG1 3.48Å; V155-V174 VanDerWaalsContact CG1-CG1 3.48Å; V155-V174 HydrophobicContact CG2-CG1 3.97Å; V155-H264 HydrophobicContact CG1-CB 3.36Å; V155-M268 HydrophobicContact CG1-SD 4.39Å
156S86.8Confident88.6Confident47 Ų4747.3 Ų47.333%0.32928%0.277SS..THydrogen-bonded Turntrans-95.35.2174.9710000114.3Q127 E153 L154Q127-S156 PolarHBondContact NE2-O 3.42Å; E153-S156 PolarHBondContact O-N 3.42Å; E153-S156 PolarHBondContact O-OG 3.26Å; L154-S156 PolarHBondContact O-N 3.4Å; L154-S156 VanDerWaalsContact O-N 3.15Å
157V90.1Very high89Confident0 Ų042.6 Ų42.60%025%0.247CC..  trans-12199.6-170.2-174.20000110.5Y123 A126 M141 L154 L159 A160Y123-V157 HydrophobicContact CD1-CG2 3.6Å; Y123-V157 HydrophobicContact CE1-CG2 4.23Å; Y123-V157 HydrophobicContact CG-CG2 3.8Å; A126-V157 HydrophobicContact CB-CG1 4.02Å; M141-V157 HydrophobicContact CE-CG1 4.43Å; M141-V157 HydrophobicContact SD-CG1 3.99Å; L154-V157 PolarHBondContact O-N 2.91Å; V157-L159 VanDerWaalsContact C-N 3.27Å; V157-L159 HydrophobicContact CG1-CB 4.32Å; V157-L159 PolarHBondContact O-N 2.94Å; V157-A160 HydrophobicContact CB-CB 4.33Å; V157-A160 HydrophobicContact CG1-CB 4.48Å; V157-A160 WeakPolarHBondContact O-CB 3.47Å; V157-A160 PolarHBondContact O-N 3.25Å
158P88.5Confident89.3Confident33 Ų3341.5 Ų41.521%0.21425%0.245CC..G310 helixtrans-56.6-35.5-177.2-28.635.3000114.9A160 W161P158-A160 PolarHBondContact O-N 2.96Å; P158-A160 VanDerWaalsContact O-N 3.17Å; P158-W161 HydrophobicContact CB-CE3 3.95Å; P158-W161 HydrophobicContact CB-CH2 4.22Å; P158-W161 HydrophobicContact CB-CZ3 3.78Å; P158-W161 HydrophobicContact CG-CH2 3.89Å; P158-W161 HydrophobicContact CG-CZ2 4.47Å; P158-W161 HydrophobicContact CG-CZ3 3.9Å; P158-W161 WeakPolarHBondContact O-CB 3.35Å; P158-W161 PolarHBondContact O-N 3.05Å
159L89.1Confident89.8Confident11 Ų1137.7 Ų37.76%0.05823%0.226CC..G310 helixtrans-57.7-31176.9-174.660.1000112.8A126 E132 L137 M141 V157 W161 N162A126-L159 HydrophobicContact CB-CB 4.29Å; A126-L159 HydrophobicContact CB-CD2 3.83Å; E132-L159 VanDerWaalsContact O-CD1 3.27Å; E132-L159 WeakPolarHBondContact O-CD1 3.34Å; L137-L159 HydrophobicContact CB-CD2 3.68Å; M141-L159 HydrophobicContact CE-CD2 4.45Å; M141-L159 HydrophobicContact CG-CG 4.47Å; V157-L159 VanDerWaalsContact C-N 3.27Å; V157-L159 HydrophobicContact CG1-CB 4.32Å; V157-L159 PolarHBondContact O-N 2.94Å; L159-W161 PolarHBondContact O-N 3.38Å; L159-N162 PolarHBondContact O-N 3.33Å
160A88.3Confident90.2Very high0 Ų032.6 Ų32.60%019%0.191CC..G310 helixtrans-66.1-28.4178.400000112.2M141 L154 V157 P158 N162 T163 I166M141-A160 HydrophobicContact CB-CB 4.49Å; M141-A160 HydrophobicContact CG-CB 4.31Å; M141-A160 HydrophobicContact SD-CB 3.94Å; L154-A160 HydrophobicContact CB-CB 4.26Å; L154-A160 HydrophobicContact CD2-CB 4.18Å; V157-A160 HydrophobicContact CB-CB 4.33Å; V157-A160 HydrophobicContact CG1-CB 4.48Å; V157-A160 WeakPolarHBondContact O-CB 3.47Å; V157-A160 PolarHBondContact O-N 3.25Å; P158-A160 PolarHBondContact O-N 2.96Å; P158-A160 VanDerWaalsContact O-N 3.17Å; A160-N162 VanDerWaalsContact C-N 3.25Å; A160-N162 PolarHBondContact O-N 2.95Å; A160-T163 PolarHBondContact O-N 3.41Å; A160-I166 HydrophobicContact CB-CG2 4Å; A160-I166 WeakPolarHBondContact O-CB 3.39Å
161W90Very high90.4Very high13 Ų1332.2 Ų32.25%0.04919%0.189CC..G310 helixtrans-75.5-13.6-176.2-52.8-20000113.3V155 P158 L159 T163 F167 E267 M268 H271V155-W161 VanDerWaalsContact O-CZ2 3.27Å; V155-W161 WeakPolarHBondContact O-CZ2 3.34Å; P158-W161 HydrophobicContact CB-CE3 3.95Å; P158-W161 HydrophobicContact CB-CH2 4.22Å; P158-W161 HydrophobicContact CB-CZ3 3.78Å; P158-W161 HydrophobicContact CG-CH2 3.89Å; P158-W161 HydrophobicContact CG-CZ2 4.47Å; P158-W161 HydrophobicContact CG-CZ3 3.9Å; P158-W161 WeakPolarHBondContact O-CB 3.35Å; P158-W161 PolarHBondContact O-N 3.05Å; L159-W161 PolarHBondContact O-N 3.38Å; W161-T163 PolarHBondContact O-N 3.17Å; W161-F167 HydrophobicContact CB-CD2 3.77Å; W161-F167 HydrophobicContact CB-CE2 4.46Å; W161-F167 HydrophobicContact CG-CD2 4.14Å; W161-E267 HydrophobicContact CH2-CB 4.38Å; W161-E267 HydrophobicContact CH2-CG 3.87Å; W161-E267 HydrophobicContact CZ3-CG 4.17Å; W161-M268 HydrophobicContact CD2-CB 4.48Å; W161-M268 HydrophobicContact CD2-CG 3.76Å; W161-M268 HydrophobicContact CE3-CG 4.16Å; W161-M268 HydrophobicContact CG-CG 4.42Å; W161-M268 HydrophobicContact CH2-CG 3.85Å; W161-M268 HydrophobicContact CZ2-CG 3.42Å; W161-M268 VanDerWaalsContact CZ2-CG 3.42Å; W161-M268 HydrophobicContact CZ2-SD 4.49Å; W161-M268 HydrophobicContact CZ3-CG 4.21Å; W161-H271 HydrophobicContact CE3-CB 3.61Å; W161-H271 AromaticContact CE3-CD2 3.79Å; W161-H271 AromaticContact CE3-CG 3.48Å; W161-H271 VanDerWaalsContact CE3-CG 3.48Å; W161-H271 AromaticContact CE3-ND1 3.86Å; W161-H271 HydrophobicContact CZ3-CB 3.79Å; W161-H271 AromaticContact CZ3-CG 3.8Å; W161-H271 AromaticContact CZ3-ND1 3.86Å
162N88.2Confident90.5Very high100 Ų10036.2 Ų36.254%0.53521%0.209SC..G310 helixtrans-68.8-22.6175.4-70.8-21.2000112.7L159 A160L159-N162 PolarHBondContact O-N 3.33Å; A160-N162 VanDerWaalsContact C-N 3.25Å; A160-N162 PolarHBondContact O-N 2.95Å
163T89.1Confident90.7Very high59 Ų5939.5 Ų39.536%0.36221%0.214SC..SBendtrans-94.4113.4174-59.10000109.9A160 W161 G165 I166 F167A160-T163 PolarHBondContact O-N 3.41Å; W161-T163 PolarHBondContact O-N 3.17Å; T163-G165 VanDerWaalsContact C-N 3.27Å; T163-G165 PolarHBondContact O-N 2.96Å; T163-G165 VanDerWaalsContact O-N 3.12Å; T163-I166 HydrophobicContact CG2-CD1 4.09Å; T163-I166 HydrophobicContact CG2-CG1 3.96Å; T163-I166 PolarHBondContact O-N 3.03Å; T163-F167 PolarHBondContact O-N 3.15Å
164L90.5Very high90.7Very high107 Ų10736.6 Ų36.656%0.5620%0.201SC*.Hα-helixtrans-50.9-42.6-176.2179.262.3000113.6I166 F167 L168 L278L164-I166 VanDerWaalsContact C-N 3.32Å; L164-I166 PolarHBondContact O-N 3Å; L164-F167 PolarHBondContact O-N 3.1Å; L164-L168 HydrophobicContact CD1-CD1 4.15Å; L164-L168 HydrophobicContact CD1-CG 4.09Å; L164-L168 HydrophobicContact CG-CD1 4.16Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 2.75Å; L164-L278 HydrophobicContact CD1-CD2 3.53Å
165G91.3Very high90.7Very high46 Ų4637.1 Ų37.147%0.47420%0.204SC..Hα-helixtrans-63-36.3179.300000113.6T163 K169T163-G165 VanDerWaalsContact C-N 3.27Å; T163-G165 PolarHBondContact O-N 2.96Å; T163-G165 VanDerWaalsContact O-N 3.12Å; G165-K169 WeakPolarHBondContact O-CG 3.45Å; G165-K169 PolarHBondContact O-N 3.24Å
166I91.8Very high90.6Very high6 Ų642.6 Ų42.63%0.03123%0.229CC..Hα-helixtrans-78.2-42.2177.7-55.3176.9000110M141 P142 A145 L154 A160 T163 L164 L168 K169 C170M141-I166 VanDerWaalsContact C-CD1 3.5Å; M141-I166 HydrophobicContact CB-CD1 3.71Å; P142-I166 HydrophobicContact CG-CD1 4.09Å; A145-I166 HydrophobicContact CB-CD1 4.04Å; A145-I166 HydrophobicContact CB-CG1 3.84Å; A145-I166 HydrophobicContact CB-CG2 4.19Å; L154-I166 HydrophobicContact CD1-CG2 4.02Å; A160-I166 HydrophobicContact CB-CG2 4Å; A160-I166 WeakPolarHBondContact O-CB 3.39Å; T163-I166 HydrophobicContact CG2-CD1 4.09Å; T163-I166 HydrophobicContact CG2-CG1 3.96Å; T163-I166 PolarHBondContact O-N 3.03Å; L164-I166 VanDerWaalsContact C-N 3.32Å; L164-I166 PolarHBondContact O-N 3Å; I166-L168 VanDerWaalsContact C-N 3.32Å; I166-L168 PolarHBondContact O-N 3.31Å; I166-K169 WeakPolarHBondContact O-CB 3.18Å; I166-K169 PolarHBondContact O-N 3.44Å; I166-K169 VanDerWaalsContact O-N 3.14Å; I166-C170 PolarHBondContact O-N 3.43Å; I166-C170 PolarHBondContact O-SG 3Å
167F93.7Very high90.5Very high9 Ų940.7 Ų40.74%0.03922%0.215CC..Hα-helixtrans-52.7-50.8173.7-179.7-103.8000111.1W161 T163 L164 K169 C170 V171 M268 L278 L279W161-F167 HydrophobicContact CB-CD2 3.77Å; W161-F167 HydrophobicContact CB-CE2 4.46Å; W161-F167 HydrophobicContact CG-CD2 4.14Å; T163-F167 PolarHBondContact O-N 3.15Å; L164-F167 PolarHBondContact O-N 3.1Å; F167-K169 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.35Å; F167-C170 WeakPolarHBondContact O-CB 3.26Å; F167-C170 PolarHBondContact O-N 3.47Å; F167-C170 VanDerWaalsContact O-N 3.16Å; F167-V171 HydrophobicContact CD1-CG2 3.96Å; F167-V171 HydrophobicContact CD2-CG2 4.39Å; F167-V171 HydrophobicContact CE1-CG2 3.6Å; F167-V171 HydrophobicContact CE2-CG2 4.1Å; F167-V171 HydrophobicContact CG-CG2 4.36Å; F167-V171 HydrophobicContact CZ-CG2 3.7Å; F167-V171 WeakPolarHBondContact O-CB 3.45Å; F167-V171 VanDerWaalsContact O-CG2 3.28Å; F167-V171 WeakPolarHBondContact O-CG2 3.28Å; F167-V171 PolarHBondContact O-N 3.4Å; F167-M268 HydrophobicContact CD2-CE 3.88Å; F167-M268 HydrophobicContact CE2-CB 4.29Å; F167-M268 HydrophobicContact CE2-CE 3.78Å; F167-L278 HydrophobicContact CD1-CD2 3.8Å; F167-L278 HydrophobicContact CE1-CD2 3.69Å; F167-L278 HydrophobicContact CE1-CG 4.28Å; F167-L279 HydrophobicContact CZ-CD1 4.38Å; F167-L279 HydrophobicContact CZ-CG 4.07Å
168L93.5Very high90.2Very high65 Ų6541.1 Ų41.134%0.3422%0.218SC..Hα-helixtrans-61.5-38.2179-71.5175000112.9L164 I166 V171 I172 L278 I282L164-L168 HydrophobicContact CD1-CD1 4.15Å; L164-L168 HydrophobicContact CD1-CG 4.09Å; L164-L168 HydrophobicContact CG-CD1 4.16Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 2.75Å; I166-L168 VanDerWaalsContact C-N 3.32Å; I166-L168 PolarHBondContact O-N 3.31Å; L168-V171 PolarHBondContact O-N 2.92Å; L168-I172 VanDerWaalsContact O-CG1 3.28Å; L168-I172 WeakPolarHBondContact O-CG1 3.36Å; L168-I172 PolarHBondContact O-N 3.27Å; L168-L278 HydrophobicContact CD2-CD2 3.97Å; L168-I282 HydrophobicContact CD2-CD1 4.1Å
169K93.3Very high90Very high80 Ų8041.3 Ų41.335%0.34822%0.217SC..Hα-helixtrans-63-45173.4-74.3-179.9173.1-173.30111.8A145 I151 G165 I166 F167 V171 I172 Y173A145-K169 PolarHBondContact O-NZ 2.98Å; I151-K169 HydrophobicContact CD1-CB 4.02Å; I151-K169 HydrophobicContact CD1-CD 3.81Å; I151-K169 HydrophobicContact CG1-CB 4.43Å; I151-K169 HydrophobicContact CG2-CB 4.24Å; G165-K169 WeakPolarHBondContact O-CG 3.45Å; G165-K169 PolarHBondContact O-N 3.24Å; I166-K169 WeakPolarHBondContact O-CB 3.18Å; I166-K169 PolarHBondContact O-N 3.44Å; I166-K169 VanDerWaalsContact O-N 3.14Å; F167-K169 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.35Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-V171 PolarHBondContact O-N 3.08Å; K169-I172 PolarHBondContact O-N 3.04Å; K169-Y173 PolarHBondContact O-N 3.24Å
170C93.6Very high89.6Confident0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-62.5-42.2176.3-63.50000111V155 I166 F167 I172 Y173 V174 M268V155-C170 HydrophobicContact CG2-CB 3.9Å; I166-C170 PolarHBondContact O-N 3.43Å; I166-C170 PolarHBondContact O-SG 3Å; F167-C170 WeakPolarHBondContact O-CB 3.26Å; F167-C170 PolarHBondContact O-N 3.47Å; F167-C170 VanDerWaalsContact O-N 3.16Å; C170-I172 PolarHBondContact O-N 3.26Å; C170-Y173 WeakPolarHBondContact O-CB 3.5Å; C170-Y173 PolarHBondContact O-N 3.36Å; C170-V174 WeakPolarHBondContact O-CG2 3.48Å; C170-V174 PolarHBondContact O-N 3.45Å; C170-M268 HydrophobicContact CB-CE 3.46Å; C170-M268 VanDerWaalsContact CB-CE 3.46Å; C170-M268 HydrophobicContact CB-SD 4.07Å
171V93.4Very high88.7Confident4 Ų445.3 Ų45.32%0.02425%0.251CS..Hα-helixtrans-59.8-45176.4167.40000111F167 L168 K169 Y173 V174 L175 M268 L279 I282F167-V171 HydrophobicContact CD1-CG2 3.96Å; F167-V171 HydrophobicContact CD2-CG2 4.39Å; F167-V171 HydrophobicContact CE1-CG2 3.6Å; F167-V171 HydrophobicContact CE2-CG2 4.1Å; F167-V171 HydrophobicContact CG-CG2 4.36Å; F167-V171 HydrophobicContact CZ-CG2 3.7Å; F167-V171 WeakPolarHBondContact O-CB 3.45Å; F167-V171 VanDerWaalsContact O-CG2 3.28Å; F167-V171 WeakPolarHBondContact O-CG2 3.28Å; F167-V171 PolarHBondContact O-N 3.4Å; L168-V171 PolarHBondContact O-N 2.92Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-V171 PolarHBondContact O-N 3.08Å; V171-Y173 VanDerWaalsContact C-N 3.34Å; V171-V174 WeakPolarHBondContact O-CG2 3.45Å; V171-V174 PolarHBondContact O-N 3.47Å; V171-L175 HydrophobicContact CG1-CD1 3.51Å; V171-L175 HydrophobicContact CG1-CG 4.08Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 VanDerWaalsContact O-CG 3.25Å; V171-L175 WeakPolarHBondContact O-CG 3.3Å; V171-L175 PolarHBondContact O-N 3.2Å; V171-M268 HydrophobicContact CG2-CE 3.6Å; V171-L279 HydrophobicContact CB-CD2 4.2Å; V171-L279 HydrophobicContact CG1-CD2 3.48Å; V171-L279 VanDerWaalsContact CG1-CD2 3.48Å; V171-L279 HydrophobicContact CG2-CD2 3.56Å; V171-L279 HydrophobicContact CG2-CG 4.4Å; V171-I282 HydrophobicContact CG1-CD1 4.35Å
172I92.6Very high87.5Confident94 Ų9445.8 Ų45.848%0.48226%0.26SS..Hα-helixtrans-61.6-45.2175.9-69.2164.3000110.5L168 K169 C170 V174 L175 Q176L168-I172 VanDerWaalsContact O-CG1 3.28Å; L168-I172 WeakPolarHBondContact O-CG1 3.36Å; L168-I172 PolarHBondContact O-N 3.27Å; K169-I172 PolarHBondContact O-N 3.04Å; C170-I172 PolarHBondContact O-N 3.26Å; I172-V174 PolarHBondContact O-N 2.89Å; I172-L175 PolarHBondContact O-N 3.41Å; I172-Q176 HydrophobicContact CG2-CG 4.31Å; I172-Q176 WeakPolarHBondContact O-CB 3.49Å; I172-Q176 WeakPolarHBondContact O-CG 3.21Å; I172-Q176 PolarHBondContact O-N 2.91Å
173Y91.4Very high86.1Confident93 Ų9343.5 Ų43.537%0.36525%0.248SC..Hα-helixtrans-59.9-44.6-179.9-176-87000112.4I151 G152 V155 K169 C170 V171 P177 M261I151-Y173 HydrophobicContact CB-CD2 4.46Å; I151-Y173 HydrophobicContact CG2-CD2 4.32Å; I151-Y173 HydrophobicContact CG2-CG 4.16Å; G152-Y173 VanDerWaalsContact CA-CE1 3.48Å; V155-Y173 HydrophobicContact CG2-CD1 3.78Å; V155-Y173 HydrophobicContact CG2-CE1 4.44Å; V155-Y173 HydrophobicContact CG2-CG 4.4Å; K169-Y173 PolarHBondContact O-N 3.24Å; C170-Y173 WeakPolarHBondContact O-CB 3.5Å; C170-Y173 PolarHBondContact O-N 3.36Å; V171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-P177 WeakPolarHBondContact O-CD 3.28Å; Y173-M261 HydrophobicContact CD1-SD 4.05Å; Y173-M261 HydrophobicContact CE1-CE 3.87Å; Y173-M261 HydrophobicContact CE1-SD 3.77Å
174V90.2Very high84.1Confident0 Ų045.9 Ų45.90%026%0.263CS..Hα-helixtrans-76.8-36.4178.1-60.10000112.6V155 C170 V171 I172 L178 M261 H264 F265 M268V155-V174 HydrophobicContact CB-CG1 4.43Å; V155-V174 HydrophobicContact CG1-CG1 3.48Å; V155-V174 VanDerWaalsContact CG1-CG1 3.48Å; V155-V174 HydrophobicContact CG2-CG1 3.97Å; C170-V174 WeakPolarHBondContact O-CG2 3.48Å; C170-V174 PolarHBondContact O-N 3.45Å; V171-V174 WeakPolarHBondContact O-CG2 3.45Å; V171-V174 PolarHBondContact O-N 3.47Å; I172-V174 PolarHBondContact O-N 2.89Å; V174-L178 WeakPolarHBondContact O-CD1 3.29Å; V174-L178 WeakPolarHBondContact O-CG 3.19Å; V174-L178 PolarHBondContact O-N 3.28Å; V174-M261 HydrophobicContact CB-CB 4.47Å; V174-M261 HydrophobicContact CB-SD 4.49Å; V174-M261 HydrophobicContact CG1-SD 4.02Å; V174-H264 HydrophobicContact CG1-CB 4.28Å; V174-F265 HydrophobicContact CB-CB 4.34Å; V174-F265 HydrophobicContact CG2-CB 4.01Å; V174-F265 HydrophobicContact CG2-CD2 4.1Å; V174-M268 HydrophobicContact CG1-SD 4.32Å; V174-M268 HydrophobicContact CG2-SD 4.4Å
175L89.7Confident82.1Confident10 Ų1041.7 Ų41.75%0.05224%0.241CC..Hα-helixtrans-71.3-32.9-177.9-77.6-179.7000112.5V171 I172 L178 L179 F265 I282 L283 L286 L298V171-L175 HydrophobicContact CG1-CD1 3.51Å; V171-L175 HydrophobicContact CG1-CG 4.08Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 VanDerWaalsContact O-CG 3.25Å; V171-L175 WeakPolarHBondContact O-CG 3.3Å; V171-L175 PolarHBondContact O-N 3.2Å; I172-L175 PolarHBondContact O-N 3.41Å; L175-L178 PolarHBondContact O-N 3.31Å; L175-L179 HydrophobicContact CB-CD1 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.44Å; L175-L179 WeakPolarHBondContact O-CG 3.43Å; L175-L179 PolarHBondContact O-N 2.81Å; L175-F265 HydrophobicContact CD2-CD2 3.87Å; L175-F265 HydrophobicContact CD2-CE2 3.6Å; L175-F265 HydrophobicContact CD2-CZ 4.42Å; L175-F265 HydrophobicContact CG-CD2 4.43Å; L175-F265 HydrophobicContact CG-CE2 4.37Å; L175-I282 HydrophobicContact CD1-CG2 4.19Å; L175-L283 HydrophobicContact CD2-CD2 4.05Å; L175-L286 HydrophobicContact CD1-CD1 4.32Å; L175-L298 HydrophobicContact CD2-CD1 3.77Å
176Q88.3Confident80.5Confident118 Ų11840.2 Ų40.255%0.55122%0.222SC*.Hα-helixtrans-59-54.9-178-84.3178.9-900112.9I172 L178 L179 A180I172-Q176 HydrophobicContact CG2-CG 4.31Å; I172-Q176 WeakPolarHBondContact O-CB 3.49Å; I172-Q176 WeakPolarHBondContact O-CG 3.21Å; I172-Q176 PolarHBondContact O-N 2.91Å; Q176-L178 VanDerWaalsContact C-N 3.31Å; Q176-L178 PolarHBondContact O-N 3.39Å; Q176-L179 PolarHBondContact O-N 3.49Å; Q176-A180 WeakPolarHBondContact O-CB 3.27Å; Q176-A180 PolarHBondContact O-N 2.71Å
177P83.4Confident79Confident6 Ų643 Ų434%0.03924%0.237CC..Hα-helixtrans-61.1-40.2174.9-22.633.3000112.2Y173 L179 A180 A181 F253 M261Y173-P177 WeakPolarHBondContact O-CD 3.28Å; P177-L179 PolarHBondContact O-N 3.16Å; P177-A180 PolarHBondContact O-N 2.96Å; P177-A181 WeakPolarHBondContact O-CB 3.1Å; P177-A181 PolarHBondContact O-N 3.46Å; P177-F253 HydrophobicContact CB-CD1 4.04Å; P177-F253 HydrophobicContact CB-CE1 4.31Å; P177-F253 HydrophobicContact CB-CG 4.19Å; P177-F253 HydrophobicContact CG-CD1 4.02Å; P177-F253 HydrophobicContact CG-CE1 3.79Å; P177-F253 HydrophobicContact CG-CZ 4.1Å; P177-M261 HydrophobicContact CB-CG 4.25Å; P177-M261 HydrophobicContact CG-CG 4.17Å
178L84.3Confident77.5Confident9 Ų944 Ų445%0.04724%0.242CC..Hα-helixtrans-61.6-43.5178.6-71.6173.9000111.6V174 L175 Q176 K186 A258 M261 L262 F265 L298V174-L178 WeakPolarHBondContact O-CD1 3.29Å; V174-L178 WeakPolarHBondContact O-CG 3.19Å; V174-L178 PolarHBondContact O-N 3.28Å; L175-L178 PolarHBondContact O-N 3.31Å; Q176-L178 VanDerWaalsContact C-N 3.31Å; Q176-L178 PolarHBondContact O-N 3.39Å; L178-K186 WeakPolarHBondContact O-CE 3.25Å; L178-K186 PolarHBondContact O-NZ 2.88Å; L178-A258 WeakPolarHBondContact CD2-O 3.37Å; L178-M261 HydrophobicContact CD2-CB 4.43Å; L178-M261 HydrophobicContact CG-CB 4.22Å; L178-L262 HydrophobicContact CD2-CB 3.89Å; L178-L262 HydrophobicContact CD2-CD1 4.45Å; L178-F265 HydrophobicContact CD1-CB 3.74Å; L178-F265 HydrophobicContact CD1-CD1 4.33Å; L178-F265 HydrophobicContact CD1-CD2 4.29Å; L178-F265 HydrophobicContact CD1-CG 3.86Å; L178-L298 HydrophobicContact CB-CD1 4.33Å; L178-L298 HydrophobicContact CD1-CD2 4.15Å
179L83.9Confident76.2Confident37 Ų3741.3 Ų41.319%0.19423%0.228CC..Hα-helixtrans-74-39.4178.3-64.6175.7000111.5L175 Q176 P177 A181 G182 L286 M290 L298L175-L179 HydrophobicContact CB-CD1 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.44Å; L175-L179 WeakPolarHBondContact O-CG 3.43Å; L175-L179 PolarHBondContact O-N 2.81Å; Q176-L179 PolarHBondContact O-N 3.49Å; P177-L179 PolarHBondContact O-N 3.16Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 2.98Å; L179-G182 PolarHBondContact O-N 3.19Å; L179-G182 VanDerWaalsContact O-N 3.15Å; L179-L286 HydrophobicContact CD1-CD1 4.04Å; L179-M290 HydrophobicContact CB-CE 4.39Å; L179-M290 HydrophobicContact CD1-SD 4.33Å; L179-M290 HydrophobicContact CD2-CE 4.04Å; L179-M290 HydrophobicContact CD2-SD 3.85Å; L179-L298 HydrophobicContact CD2-CD1 4.12Å
180A80.7Confident74.8Confident67 Ų6740.7 Ų40.755%0.55423%0.226SC*.Hα-helixtrans-62.8-31.6178.500000113Q176 P177 G182 F253Q176-A180 WeakPolarHBondContact O-CB 3.27Å; Q176-A180 PolarHBondContact O-N 2.71Å; P177-A180 PolarHBondContact O-N 2.96Å; A180-G182 PolarHBondContact O-N 2.94Å; A180-F253 HydrophobicContact CB-CD2 4.31Å
181A69.3Low73.9Confident28 Ų2842 Ų4223%0.23123%0.232CC..THydrogen-bonded Turntrans-61-5.9174.900000114.5P177 L179 A258P177-A181 WeakPolarHBondContact O-CB 3.1Å; P177-A181 PolarHBondContact O-N 3.46Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 2.98Å; A181-A258 HydrophobicContact CB-CB 4.17Å
182G65.6Low73Confident23 Ų2342 Ų4224%0.23723%0.232CC..THydrogen-bonded Turntrans64-169.3169.900000115.3L179 A180 K186L179-G182 PolarHBondContact O-N 3.19Å; L179-G182 VanDerWaalsContact O-N 3.15Å; A180-G182 PolarHBondContact O-N 2.94Å; G182-K186 VanDerWaalsContact N-NZ 3.18Å; G182-K186 WeakPolarHBondContact O-CD 3.36Å; G182-K186 WeakPolarHBondContact O-CE 3.17Å; G182-K186 VanDerWaalsContact O-CG 3.3Å; G182-K186 WeakPolarHBondContact O-CG 3.2Å; G182-K186 PolarHBondContact O-NZ 2.95Å
183D58.1Low72Confident52 Ų5237.8 Ų37.828%0.27821%0.21SC..THydrogen-bonded Turntrans-79.8-20.2-179.7-68.6-37.5000113.2V185 K186 N187 S292 H293 C294D183-V185 PolarHBondContact O-N 3.04Å; D183-K186 PolarHBondContact O-N 3.49Å; D183-N187 PolarHBondContact O-N 3.23Å; D183-S292 VanDerWaalsContact CG-OG 3.23Å; D183-S292 WeakPolarHBondContact OD1-CB 3.39Å; D183-S292 PolarHBondContact OD1-OG 2.77Å; D183-S292 WeakPolarHBondContact OD2-CA 3.46Å; D183-S292 VanDerWaalsContact OD2-CB 3.29Å; D183-S292 WeakPolarHBondContact OD2-CB 3.42Å; D183-S292 PolarHBondContact OD2-OG 2.88Å; D183-H293 PolarHBondContact OD1-N 2.8Å; D183-C294 PolarHBondContact OD1-N 3.35Å
184T47.8Very low71.3Confident110 Ų11033.7 Ų33.768%0.67520%0.195SC*.THydrogen-bonded Turntrans-66-32.5-169.145.60000114.1
185V47.2Very low70.9Confident18 Ų1833.7 Ų33.711%0.10920%0.195CC..THydrogen-bonded Turntrans-87.2-10.1174.61710000112.2D183 T189 V238 F255D183-V185 PolarHBondContact O-N 3.04Å; V185-T189 PolarHBondContact O-OG1 2.86Å; V185-V238 HydrophobicContact CG2-CG2 4.38Å; V185-F255 HydrophobicContact CB-CE2 4.3Å; V185-F255 HydrophobicContact CG1-CD2 3.99Å; V185-F255 HydrophobicContact CG1-CE2 3.41Å; V185-F255 VanDerWaalsContact CG1-CE2 3.41Å; V185-F255 HydrophobicContact CG1-CZ 4.31Å; V185-F255 HydrophobicContact CG2-CD2 3.86Å; V185-F255 HydrophobicContact CG2-CE2 3.92Å
186K59.5Low70.6Confident16 Ų1633.7 Ų33.77%0.0720%0.195CC..Hα-helixtrans-107.5-33.1-156.3-67-165.6-172.91110115.3L178 G182 D183 T189 F190 C294 H297L178-K186 WeakPolarHBondContact O-CE 3.25Å; L178-K186 PolarHBondContact O-NZ 2.88Å; G182-K186 VanDerWaalsContact N-NZ 3.18Å; G182-K186 WeakPolarHBondContact O-CD 3.36Å; G182-K186 WeakPolarHBondContact O-CE 3.17Å; G182-K186 VanDerWaalsContact O-CG 3.3Å; G182-K186 WeakPolarHBondContact O-CG 3.2Å; G182-K186 PolarHBondContact O-NZ 2.95Å; D183-K186 PolarHBondContact O-N 3.49Å; K186-T189 PolarHBondContact O-N 3.27Å; K186-F190 VanDerWaalsContact O-CB 3.3Å; K186-F190 WeakPolarHBondContact O-CB 3.07Å; K186-F190 PolarHBondContact O-N 3.2Å; K186-C294 HydrophobicContact CD-CB 3.82Å; K186-C294 WeakPolarHBondContact CD-SG 3.37Å; K186-C294 WeakPolarHBondContact CE-SG 3.47Å; K186-C294 PolarHBondContact NZ-SG 3.37Å; K186-H297 PolarHBondContact O-CE1 3.47Å; K186-H297 PolarHBondContact O-ND1 3.5Å; K186-H297 VanDerWaalsContact O-ND1 3.11Å
187N58.7Low70.2Confident63 Ų6328.7 Ų28.734%0.33717%0.172SC..Hα-helixtrans-68.3-40.4179.4-70.2-16.8000112D183 F190 M191 Y509D183-N187 PolarHBondContact O-N 3.23Å; N187-F190 PolarHBondContact O-N 3.41Å; N187-M191 VanDerWaalsContact O-CB 3.25Å; N187-M191 WeakPolarHBondContact O-CB 3.34Å; N187-M191 PolarHBondContact O-N 3.01Å; N187-Y509 HydrophobicContact CB-CD1 3.73Å; N187-Y509 HydrophobicContact CB-CE1 3.81Å
188Q63.7Low69.9Low30 Ų3030.7 Ų30.714%0.1418%0.18CC..Hα-helixtrans-63.9-44.4174.7-93.3-173.18.800112M191 Y192 E508 P512Q188-M191 PolarHBondContact O-N 3.46Å; Q188-Y192 WeakPolarHBondContact O-CB 3.48Å; Q188-Y192 PolarHBondContact O-N 2.94Å; Q188-E508 PolarHBondContact NE2-O 3.47Å; Q188-P512 HydrophobicContact CB-CG 3.49Å; Q188-P512 VanDerWaalsContact CB-CG 3.49Å; Q188-P512 HydrophobicContact CG-CG 3.51Å
189T64.5Low69.4Low9 Ų930.9 Ų30.96%0.05518%0.183CC..Hα-helixtrans-66.7-38.6176-55.90000112.3V185 K186 Y192 S193 V231V185-T189 PolarHBondContact O-OG1 2.86Å; K186-T189 PolarHBondContact O-N 3.27Å; T189-Y192 WeakPolarHBondContact O-CB 2.97Å; T189-S193 WeakPolarHBondContact O-CB 3.43Å; T189-S193 PolarHBondContact O-N 3.45Å; T189-S193 PolarHBondContact O-OG 2.87Å; T189-V231 HydrophobicContact CG2-CG1 4.23Å
190F65.7Low68.7Low68 Ų6834.6 Ų34.630%0.29820%0.197SC..Hα-helixtrans-63.9-53.4174.9177.4-104.1000110.2K186 N187 Y192 S193 V194 H297 W300 P368K186-F190 VanDerWaalsContact O-CB 3.3Å; K186-F190 WeakPolarHBondContact O-CB 3.07Å; K186-F190 PolarHBondContact O-N 3.2Å; N187-F190 PolarHBondContact O-N 3.41Å; F190-Y192 VanDerWaalsContact C-N 3.28Å; F190-Y192 PolarHBondContact O-N 3.4Å; F190-S193 PolarHBondContact O-N 3.17Å; F190-V194 HydrophobicContact CD1-CG2 4.19Å; F190-V194 HydrophobicContact CD2-CG2 4.21Å; F190-V194 HydrophobicContact CE1-CG2 3.76Å; F190-V194 HydrophobicContact CE2-CG2 3.8Å; F190-V194 HydrophobicContact CG-CG2 4.41Å; F190-V194 HydrophobicContact CZ-CG2 3.56Å; F190-V194 WeakPolarHBondContact O-CG2 3.36Å; F190-V194 PolarHBondContact O-N 3.49Å; F190-H297 VanDerWaalsContact CA-CE1 3.47Å; F190-H297 WeakPolarHBondContact CA-CE1 3.47Å; F190-H297 WeakPolarHBondContact CA-NE2 3.43Å; F190-H297 VanDerWaalsContact CB-CE1 3.45Å; F190-H297 WeakPolarHBondContact CB-CE1 3.31Å; F190-H297 AromaticContact CD2-CD2 3.56Å; F190-H297 AromaticContact CD2-NE2 3.85Å; F190-H297 PolarHBondContact N-CE1 3.19Å; F190-W300 HydrophobicContact CD2-CD2 4.01Å; F190-W300 AromaticContact CD2-CE3 3.61Å; F190-W300 HydrophobicContact CD2-CE3 3.61Å; F190-W300 HydrophobicContact CD2-CG 4.48Å; F190-W300 HydrophobicContact CD2-CZ3 4.17Å; F190-W300 HydrophobicContact CE2-CB 4.14Å; F190-W300 AromaticContact CE2-CD2 3.61Å; F190-W300 HydrophobicContact CE2-CD2 3.61Å; F190-W300 AromaticContact CE2-CE3 3.74Å; F190-W300 HydrophobicContact CE2-CE3 3.74Å; F190-W300 AromaticContact CE2-CG 3.78Å; F190-W300 HydrophobicContact CE2-CG 3.78Å; F190-W300 HydrophobicContact CE2-CZ3 4.49Å; F190-P368 HydrophobicContact CE2-CG 4.43Å; F190-P368 HydrophobicContact CZ-CG 4.19Å
191M73.2Confident67.4Low28 Ų2838.2 Ų38.214%0.13820%0.196CC..Hα-helixtrans-59.4-42.4-179.6-170.364.3166.500110.9N187 Q188 S193 V194 A195 L469 Y509 L510N187-M191 VanDerWaalsContact O-CB 3.25Å; N187-M191 WeakPolarHBondContact O-CB 3.34Å; N187-M191 PolarHBondContact O-N 3.01Å; Q188-M191 PolarHBondContact O-N 3.46Å; M191-S193 PolarHBondContact O-N 3.32Å; M191-V194 PolarHBondContact O-N 3.4Å; M191-A195 WeakPolarHBondContact O-CB 3.37Å; M191-A195 PolarHBondContact O-N 3.43Å; M191-L469 HydrophobicContact CE-CB 3.78Å; M191-L469 HydrophobicContact CE-CD1 3.69Å; M191-L469 HydrophobicContact CE-CD2 4.35Å; M191-L469 HydrophobicContact CE-CG 4.12Å; M191-L469 HydrophobicContact SD-CD1 4.22Å; M191-Y509 WeakPolarHBondContact CB-O 3.38Å; M191-Y509 WeakPolarHBondContact CG-O 3.38Å; M191-L510 HydrophobicContact CE-CD2 3.61Å; M191-L510 HydrophobicContact CE-CG 4Å; M191-L510 HydrophobicContact CG-CD2 4.01Å
192Y75.7Confident66.2Low3 Ų341.8 Ų41.81%0.01221%0.211CC..Hα-helixtrans-50.8-56169.7174.8-86.2000111.4Q188 T189 F190 V194 A195 F196 P226 V231 F234 P512 A513 A516Q188-Y192 WeakPolarHBondContact O-CB 3.48Å; Q188-Y192 PolarHBondContact O-N 2.94Å; T189-Y192 WeakPolarHBondContact O-CB 2.97Å; F190-Y192 VanDerWaalsContact C-N 3.28Å; F190-Y192 PolarHBondContact O-N 3.4Å; Y192-V194 VanDerWaalsContact C-N 3.35Å; Y192-V194 PolarHBondContact O-N 2.89Å; Y192-A195 WeakPolarHBondContact O-CB 3.35Å; Y192-A195 PolarHBondContact O-N 2.84Å; Y192-A195 VanDerWaalsContact O-N 3.1Å; Y192-F196 HydrophobicContact CD1-CD2 4.15Å; Y192-F196 AromaticContact CD2-CD2 3.93Å; Y192-F196 HydrophobicContact CD2-CD2 3.93Å; Y192-F196 AromaticContact CD2-CE2 3.71Å; Y192-F196 HydrophobicContact CD2-CE2 3.71Å; Y192-F196 HydrophobicContact CE1-CD2 4.02Å; Y192-F196 HydrophobicContact CE1-CE2 4.49Å; Y192-F196 AromaticContact CE2-CD2 3.83Å; Y192-F196 HydrophobicContact CE2-CD2 3.83Å; Y192-F196 AromaticContact CE2-CE2 3.49Å; Y192-F196 HydrophobicContact CE2-CE2 3.49Å; Y192-F196 VanDerWaalsContact CE2-CE2 3.49Å; Y192-F196 HydrophobicContact CE2-CZ 4.46Å; Y192-F196 HydrophobicContact CG-CD2 4.09Å; Y192-F196 HydrophobicContact CG-CE2 4.33Å; Y192-F196 AromaticContact CZ-CD2 3.87Å; Y192-F196 AromaticContact CZ-CE2 3.91Å; Y192-F196 WeakPolarHBondContact O-CD2 3.39Å; Y192-F196 PolarHBondContact O-N 3.45Å; Y192-P226 HydrophobicContact CE1-CG 3.93Å; Y192-P226 WeakPolarHBondContact OH-CG 3.5Å; Y192-V231 HydrophobicContact CD1-CG2 4.31Å; Y192-V231 HydrophobicContact CE1-CG2 3.6Å; Y192-F234 HydrophobicContact CE2-CD2 4.06Å; Y192-P512 HydrophobicContact CD2-CB 4.21Å; Y192-A513 HydrophobicContact CD2-CB 4.32Å; Y192-A516 HydrophobicContact CD2-CB 4.41Å; Y192-A516 HydrophobicContact CE2-CB 3.44Å; Y192-A516 VanDerWaalsContact CE2-CB 3.44Å
193S72.1Confident64.7Low5 Ų547 Ų474%0.03523%0.234CC..Hα-helixtrans-68.4-35.7-171.8-51.80000111.7T189 F190 M191 L197T189-S193 WeakPolarHBondContact O-CB 3.43Å; T189-S193 PolarHBondContact O-N 3.45Å; T189-S193 PolarHBondContact O-OG 2.87Å; F190-S193 PolarHBondContact O-N 3.17Å; M191-S193 PolarHBondContact O-N 3.32Å; S193-L197 WeakPolarHBondContact O-CB 3.48Å; S193-L197 PolarHBondContact O-N 2.89Å
194V75.8Confident63.5Low7 Ų748.6 Ų48.64%0.04226%0.255CS..Hα-helixtrans-68.1-39.7170.9176.60000111.7F190 M191 Y192 F196 L197 W300 P368 L469 R473F190-V194 HydrophobicContact CD1-CG2 4.19Å; F190-V194 HydrophobicContact CD2-CG2 4.21Å; F190-V194 HydrophobicContact CE1-CG2 3.76Å; F190-V194 HydrophobicContact CE2-CG2 3.8Å; F190-V194 HydrophobicContact CG-CG2 4.41Å; F190-V194 HydrophobicContact CZ-CG2 3.56Å; F190-V194 WeakPolarHBondContact O-CG2 3.36Å; F190-V194 PolarHBondContact O-N 3.49Å; M191-V194 PolarHBondContact O-N 3.4Å; Y192-V194 VanDerWaalsContact C-N 3.35Å; Y192-V194 PolarHBondContact O-N 2.89Å; V194-F196 PolarHBondContact O-N 3.47Å; V194-L197 WeakPolarHBondContact O-CB 3.27Å; V194-L197 PolarHBondContact O-N 3.43Å; V194-W300 HydrophobicContact CG2-CH2 4.23Å; V194-W300 HydrophobicContact CG2-CZ2 3.96Å; V194-P368 HydrophobicContact CG2-CB 3.99Å; V194-P368 HydrophobicContact CG2-CG 4.45Å; V194-L469 HydrophobicContact CG1-CD2 4.4Å; V194-R473 PolarHBondContact O-NH1 2.96Å
195A81.8Confident62.7Low0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-67-27.3179.800000112.6M191 Y192 L469 F472 R473 R476 A513M191-A195 WeakPolarHBondContact O-CB 3.37Å; M191-A195 PolarHBondContact O-N 3.43Å; Y192-A195 WeakPolarHBondContact O-CB 3.35Å; Y192-A195 PolarHBondContact O-N 2.84Å; Y192-A195 VanDerWaalsContact O-N 3.1Å; A195-L469 HydrophobicContact CB-CD1 4.14Å; A195-F472 HydrophobicContact CB-CD1 3.76Å; A195-F472 HydrophobicContact CB-CE1 3.46Å; A195-F472 VanDerWaalsContact CB-CE1 3.46Å; A195-F472 HydrophobicContact CB-CZ 4.36Å; A195-R473 PolarHBondContact O-NH1 3.29Å; A195-R476 PolarHBondContact O-NH1 3.12Å; A195-R476 VanDerWaalsContact O-NH1 3.15Å; A195-A513 HydrophobicContact CB-CB 4.07Å
196F82.8Confident61.7Low10 Ų1051.4 Ų51.44%0.04428%0.278CS..Hα-helixtrans-96.3-8.2173.2-73.1-78.8000114.9Y192 V194 Q198 F472 R476 A513 A516 F517Y192-F196 HydrophobicContact CD1-CD2 4.15Å; Y192-F196 AromaticContact CD2-CD2 3.93Å; Y192-F196 HydrophobicContact CD2-CD2 3.93Å; Y192-F196 AromaticContact CD2-CE2 3.71Å; Y192-F196 HydrophobicContact CD2-CE2 3.71Å; Y192-F196 HydrophobicContact CE1-CD2 4.02Å; Y192-F196 HydrophobicContact CE1-CE2 4.49Å; Y192-F196 AromaticContact CE2-CD2 3.83Å; Y192-F196 HydrophobicContact CE2-CD2 3.83Å; Y192-F196 AromaticContact CE2-CE2 3.49Å; Y192-F196 HydrophobicContact CE2-CE2 3.49Å; Y192-F196 VanDerWaalsContact CE2-CE2 3.49Å; Y192-F196 HydrophobicContact CE2-CZ 4.46Å; Y192-F196 HydrophobicContact CG-CD2 4.09Å; Y192-F196 HydrophobicContact CG-CE2 4.33Å; Y192-F196 AromaticContact CZ-CD2 3.87Å; Y192-F196 AromaticContact CZ-CE2 3.91Å; Y192-F196 WeakPolarHBondContact O-CD2 3.39Å; Y192-F196 PolarHBondContact O-N 3.45Å; V194-F196 PolarHBondContact O-N 3.47Å; F196-Q198 PolarHBondContact O-N 3.02Å; F196-F472 HydrophobicContact CE2-CZ 4.49Å; F196-F472 HydrophobicContact CZ-CZ 4.3Å; F196-R476 VanDerWaalsContact CD1-NH2 3.27Å; F196-R476 VanDerWaalsContact CE1-CZ 3.43Å; F196-A513 HydrophobicContact CE2-CB 3.98Å; F196-A513 WeakPolarHBondContact CZ-O 3.32Å; F196-A516 HydrophobicContact CE2-CB 4.08Å; F196-A516 HydrophobicContact CZ-CB 3.95Å; F196-F517 HydrophobicContact CZ-CB 4.23Å
197L81.2Confident60.1Low14 Ų1454.7 Ų54.77%0.07331%0.309CS..  trans-59.2121.7179.8-171.769.2000110.7S193 V194 L225 W300 P368 I369 A372 R473S193-L197 WeakPolarHBondContact O-CB 3.48Å; S193-L197 PolarHBondContact O-N 2.89Å; V194-L197 WeakPolarHBondContact O-CB 3.27Å; V194-L197 PolarHBondContact O-N 3.43Å; L197-L225 HydrophobicContact CD1-CD1 4.06Å; L197-W300 HydrophobicContact CD1-CZ2 4.48Å; L197-W300 HydrophobicContact CD2-CZ2 4.46Å; L197-P368 HydrophobicContact CD2-CB 4.12Å; L197-I369 HydrophobicContact CD2-CG1 3.99Å; L197-A372 HydrophobicContact CB-CB 4.5Å; L197-A372 HydrophobicContact CD2-CB 4.11Å; L197-R473 PolarHBondContact O-NH1 3.04Å; L197-R473 PolarHBondContact O-NH2 3.48Å
198Q77.2Confident58.5Low47 Ų4758.4 Ų58.422%0.2233%0.328CS..  trans-111.3109.8174.5-72.3-179.4-10.200109.3F196 I220F196-Q198 PolarHBondContact O-N 3.02Å; Q198-I220 PolarHBondContact NE2-O 3.1Å; Q198-I220 PolarHBondContact OE1-O 3.45Å
199P73.6Confident56.7Low14 Ų1466.6 Ų66.69%0.09136%0.36CS..  trans-59.5143.1168.4-2133000110.8R201 Q340 A372 L373P199-R201 PolarHBondContact O-N 3.4Å; P199-Q340 HydrophobicContact CB-CB 4.23Å; P199-A372 HydrophobicContact CG-CB 4.17Å; P199-L373 HydrophobicContact CB-CD2 3.59Å; P199-L373 HydrophobicContact CB-CG 4.03Å; P199-L373 HydrophobicContact CG-CD2 3.66Å; P199-L373 HydrophobicContact CG-CG 3.77Å
200K69.3Low54.7Low114 Ų11471.6 Ų71.650%0.49640%0.395SS..  trans-58.6107.2174.7-73.1-178.8177.2-178.30109.3N202 Q340K200-N202 PolarHBondContact O-N 3.16Å; K200-Q340 HydrophobicContact CB-CB 4.32Å
201R53.1Low53Low143 Ų14373.8 Ų73.854%0.5442%0.419SS..  trans-75.3115.8168.4-75.5-175.8170.6172.5-1.9109.2P199 N203P199-R201 PolarHBondContact O-N 3.4Å; R201-N203 PolarHBondContact O-N 2.88Å; R201-N203 VanDerWaalsContact O-N 3.12Å
202N43.1Very low50.7Low103 Ų10378.1 Ų78.155%0.55145%0.447SS*.  trans-63.9110.8163.3-85.8-22000108.3K200 A204K200-N202 PolarHBondContact O-N 3.16Å; N202-A204 PolarHBondContact O-N 3.12Å
203N34.8Very low48.4Very low133 Ų13381.7 Ų81.771%0.71147%0.472SS*.THydrogen-bonded Turntrans-62.410.4176.1-80.5-14.4000114.4R201R201-N203 PolarHBondContact O-N 2.88Å; R201-N203 VanDerWaalsContact O-N 3.12Å
204A31.8Very low46.2Very low86 Ų8686.2 Ų86.271%0.71149%0.492SS*.THydrogen-bonded Turntrans-77.8-27.5-177.600000113.8N202N202-A204 PolarHBondContact O-N 3.12Å
205S31.9Very low43.9Very low108 Ų10890 Ų9076%0.75552%0.519SS*.THydrogen-bonded Turntrans-87.9-8.2-174.246.80000115.2
206C26.5Very low41.4Very low78 Ų7895.3 Ų95.353%0.52754%0.544SS..THydrogen-bonded Turntrans-99.87.5-180-65.80000115.2N208C206-N208 PolarHBondContact O-N 3Å; C206-N208 VanDerWaalsContact O-N 3.17Å
207A25.7Very low38.9Very low86 Ų8697.9 Ų97.971%0.71156%0.558SS**THydrogen-bonded Turntrans-70.5-7.5-178.300000115.1
208N26.1Very low36.2Very low140 Ų140100.2 Ų100.275%0.74958%0.575SS**THydrogen-bonded Turntrans-114.19.8-168.7-79.2-12.1000117.3C206C206-N208 PolarHBondContact O-N 3Å; C206-N208 VanDerWaalsContact O-N 3.17Å
209Y25.4Very low33.8Very low203 Ų203104.3 Ų104.380%0.79660%0.598SS**  trans-127.695170-69.6-75.7000111.6
210S22.7Very low32.1Very low114 Ų114106.1 Ų106.180%0.79761%0.606SS**  trans-56.9137.9163.950.20000111.6
211S28.6Very low30.5Very low114 Ų114103.8 Ų103.880%0.79760%0.599SS**SBendtrans112.940.9157.591.10000119.2
212V26.5Very low29.5Very low119 Ų119101.2 Ų101.272%0.72160%0.603SS**SBendtrans-150.2141.6138.4-175.10000106.9H214V212-H214 PolarHBondContact O-CD2 2.72Å; V212-H214 VanDerWaalsContact O-CD2 3.3Å; V212-H214 PolarHBondContact O-N 3.39Å
213S27Very low29.1Very low77 Ų77103 Ų10354%0.53861%0.609SS.*  trans-52.792.6179.233.10000113.2S215S213-S215 PolarHBondContact O-N 3.48Å
214H26.3Very low29.4Very low100 Ų10099 Ų9946%0.46359%0.59SS.*THydrogen-bonded Turntrans-66.2-1.2176.3-83.5-80.7000115.1V212 E216V212-H214 PolarHBondContact O-CD2 2.72Å; V212-H214 VanDerWaalsContact O-CD2 3.3Å; V212-H214 PolarHBondContact O-N 3.39Å; H214-E216 VanDerWaalsContact C-N 3.29Å; H214-E216 PolarHBondContact O-N 3.49Å
215S26.9Very low29.8Very low88 Ų8897 Ų9762%0.61557%0.568SS**Hα-helixtrans-63.9-31.9176.2-59.10000112.7S213 S218S213-S215 PolarHBondContact O-N 3.48Å; S215-S218 PolarHBondContact O-N 3.25Å; S215-S218 PolarHBondContact O-OG 2.85Å
216E29.9Very low30.2Very low110 Ų11093.1 Ų93.151%0.51454%0.54SS..Hα-helixtrans-74.7-32.3-177.8-70.4172.6-160.800113.1H214 S218 L219H214-E216 VanDerWaalsContact C-N 3.29Å; H214-E216 PolarHBondContact O-N 3.49Å; E216-S218 PolarHBondContact O-N 3.18Å; E216-L219 PolarHBondContact O-N 3.24Å
217L28.7Very low30.9Very low65 Ų6593 Ų9334%0.3454%0.538SS..Hα-helixtrans-67.6-24.7173.2-98.4141.2000112.6N221L217-N221 VanDerWaalsContact O-CG 3.3Å; L217-N221 PolarHBondContact O-ND2 3.15Å; L217-N221 VanDerWaalsContact O-ND2 3.14Å
218S24.7Very low31.9Very low63 Ų6391 Ų9144%0.44152%0.515SS..Hα-helixtrans-75.2-30.1179.876.40000113.1S215 E216 I220 N221 S222S215-S218 PolarHBondContact O-N 3.25Å; S215-S218 PolarHBondContact O-OG 2.85Å; E216-S218 PolarHBondContact O-N 3.18Å; S218-I220 VanDerWaalsContact C-N 3.34Å; S218-N221 PolarHBondContact O-N 3.42Å; S218-S222 PolarHBondContact O-OG 3.4Å
219L27.7Very low32.7Very low132 Ų13289.3 Ų89.369%0.69151%0.506SS*.Hα-helixtrans-67.4-35.7177.5-76.7157.1000111.7E216 N221 S222E216-L219 PolarHBondContact O-N 3.24Å; L219-N221 PolarHBondContact O-N 2.57Å; L219-S222 PolarHBondContact O-OG 3.28Å
220I38.3Very low33.8Very low53 Ų5382.3 Ų82.327%0.27248%0.482SS..THydrogen-bonded Turntrans-67.2-23.4177.6-56.4169.1000112.2Q198 S218 H480Q198-I220 PolarHBondContact NE2-O 3.1Å; Q198-I220 PolarHBondContact OE1-O 3.45Å; S218-I220 VanDerWaalsContact C-N 3.34Å; I220-H480 HydrophobicContact CD1-CB 3.86Å
221N35Very low35Very low65 Ų6577.2 Ų77.235%0.34845%0.447SS..THydrogen-bonded Turntrans-88-5.2-171.9-67-22.9000114.2L217 S218 L219L217-N221 VanDerWaalsContact O-CG 3.3Å; L217-N221 PolarHBondContact O-ND2 3.15Å; L217-N221 VanDerWaalsContact O-ND2 3.14Å; S218-N221 PolarHBondContact O-N 3.42Å; L219-N221 PolarHBondContact O-N 2.57Å
222S31.2Very low36.2Very low89 Ų8974.9 Ų74.962%0.62242%0.422SS*.SBendtrans-85.3-22.8-173-36.10000113.4S218 L219S218-S222 PolarHBondContact O-OG 3.4Å; L219-S222 PolarHBondContact O-OG 3.28Å
223E35.3Very low37.7Very low141 Ų14169.4 Ų69.466%0.65939%0.389SS*.  trans-107.264.3-176.7-66.5-175.117400109.8L225E223-L225 PolarHBondContact O-N 2.94Å
224S41.2Very low39.1Very low47 Ų4766.3 Ų66.333%0.32937%0.367SS..SBendtrans-62.9100.1169.458.20000109R308S224-R308 WeakPolarHBondContact O-CD 3.23Å
225L40.4Very low40.5Very low45 Ų4561.9 Ų61.924%0.23635%0.347CS..SBendtrans63.1129.1-161.9-7991.4000114.2L197 E223L197-L225 HydrophobicContact CD1-CD1 4.06Å; E223-L225 PolarHBondContact O-N 2.94Å
226P41.3Very low41.7Very low27 Ų2759.1 Ų59.118%0.17533%0.327CS..  trans-59.9149.3166.124.2-30.5000110.1Y192 I228 D230Y192-P226 HydrophobicContact CE1-CG 3.93Å; Y192-P226 WeakPolarHBondContact OH-CG 3.5Å; P226-I228 PolarHBondContact O-N 3.01Å; P226-D230 HydrophobicContact CB-CB 4.46Å
227P41.2Very low42.4Very low75 Ų7556.5 Ų56.549%0.48732%0.324SS..  trans-49.9141.3174.4-23.731.8000111.4D229 D230P227-D229 PolarHBondContact O-N 3.24Å; P227-D230 PolarHBondContact O-N 3.38Å
228I44.8Very low42.8Very low44 Ų4456.8 Ų56.823%0.22633%0.329CS..Hα-helixtrans-52.9-28.4177.4-69.2177.8000111.9P226 D230 V231 K232 Q259 L266P226-I228 PolarHBondContact O-N 3.01Å; I228-D230 VanDerWaalsContact C-N 3.3Å; I228-D230 PolarHBondContact O-N 3.36Å; I228-V231 VanDerWaalsContact O-CB 3.31Å; I228-V231 WeakPolarHBondContact O-CB 3.38Å; I228-V231 PolarHBondContact O-N 2.84Å; I228-K232 PolarHBondContact O-N 2.76Å; I228-Q259 HydrophobicContact CG2-CG 3.81Å; I228-Q259 PolarHBondContact O-NE2 3Å; I228-L266 HydrophobicContact CD1-CD1 3.67Å
229D42.8Very low43.2Very low104 Ų10459.4 Ų59.456%0.55634%0.338SS*.Hα-helixtrans-64-28.6174.6-82.4-30.8000113.9P227 K232P227-D229 PolarHBondContact O-N 3.24Å; D229-K232 WeakPolarHBondContact O-CB 3.42Å; D229-K232 WeakPolarHBondContact OD1-CE 3.39Å; D229-K232 IonicContact OD1-NZ 2.7Å; D229-K232 PolarHBondContact OD1-NZ 3.32Å
230D48.7Very low43.3Very low56 Ų5659.4 Ų59.430%0.29934%0.338SS..Hα-helixtrans-76.4-31.2174.2-72.5-33.9000111.2P226 P227 I228 K232 G233 F234P226-D230 HydrophobicContact CB-CB 4.46Å; P227-D230 PolarHBondContact O-N 3.38Å; I228-D230 VanDerWaalsContact C-N 3.3Å; I228-D230 PolarHBondContact O-N 3.36Å; D230-K232 PolarHBondContact O-N 3.08Å; D230-G233 PolarHBondContact O-N 2.57Å; D230-F234 HydrophobicContact CB-CE2 4.05Å; D230-F234 WeakPolarHBondContact O-CD2 3.17Å; D230-F234 WeakPolarHBondContact O-CE2 3.33Å
231V48.8Very low42.8Very low8 Ų865 Ų655%0.04836%0.363CS..Hα-helixtrans-59.6-33.4176.2-173.30000112T189 Y192 I228 G233 F234 V235T189-V231 HydrophobicContact CG2-CG1 4.23Å; Y192-V231 HydrophobicContact CD1-CG2 4.31Å; Y192-V231 HydrophobicContact CE1-CG2 3.6Å; I228-V231 VanDerWaalsContact O-CB 3.31Å; I228-V231 WeakPolarHBondContact O-CB 3.38Å; I228-V231 PolarHBondContact O-N 2.84Å; V231-G233 PolarHBondContact O-N 3.05Å; V231-F234 PolarHBondContact O-N 2.92Å; V231-F234 VanDerWaalsContact O-N 3.07Å; V231-V235 HydrophobicContact CG1-CG2 4.05Å
232K53.5Low42.4Very low64 Ų6468.9 Ų68.928%0.27838%0.384SS..THydrogen-bonded Turntrans-49-34.5177-72.7177.3171.9165.70112.6I228 D229 D230 Q259 D260I228-K232 PolarHBondContact O-N 2.76Å; D229-K232 WeakPolarHBondContact O-CB 3.42Å; D229-K232 WeakPolarHBondContact OD1-CE 3.39Å; D229-K232 IonicContact OD1-NZ 2.7Å; D229-K232 PolarHBondContact OD1-NZ 3.32Å; D230-K232 PolarHBondContact O-N 3.08Å; K232-Q259 HydrophobicContact CG-CB 4.45Å; K232-Q259 HydrophobicContact CG-CG 3.81Å; K232-D260 WeakPolarHBondContact CE-OD1 3.27Å; K232-D260 IonicContact NZ-OD1 3.61Å; K232-D260 PolarHBondContact NZ-OD1 3Å
233G57.3Low42.1Very low4 Ų470.7 Ų70.74%0.04138%0.383CS..THydrogen-bonded Turntrans-86.8-16.8-175.200000116.6D230 V231 T560D230-G233 PolarHBondContact O-N 2.57Å; V231-G233 PolarHBondContact O-N 3.05Å; G233-T560 PolarHBondContact O-OG1 3.21Å; G233-T560 VanDerWaalsContact O-OG1 3.11Å
234F57.7Low41.7Very low13 Ų1369.1 Ų69.16%0.05739%0.385CS..THydrogen-bonded Turntrans-104.8-16.4-165-58.4-49.1000114.2Y192 D230 V231 P512 L515 A516 T519 H553 T560Y192-F234 HydrophobicContact CE2-CD2 4.06Å; D230-F234 HydrophobicContact CB-CE2 4.05Å; D230-F234 WeakPolarHBondContact O-CD2 3.17Å; D230-F234 WeakPolarHBondContact O-CE2 3.33Å; V231-F234 PolarHBondContact O-N 2.92Å; V231-F234 VanDerWaalsContact O-N 3.07Å; F234-P512 HydrophobicContact CB-CB 4.43Å; F234-P512 WeakPolarHBondContact O-CA 3.49Å; F234-P512 WeakPolarHBondContact O-CB 3.43Å; F234-L515 HydrophobicContact CB-CD2 4.35Å; F234-L515 HydrophobicContact CD1-CB 4.28Å; F234-L515 HydrophobicContact CD1-CD2 3.79Å; F234-L515 HydrophobicContact CD1-CG 3.58Å; F234-L515 HydrophobicContact CE1-CG 4.18Å; F234-A516 HydrophobicContact CD1-CB 4.15Å; F234-A516 HydrophobicContact CD2-CB 3.48Å; F234-A516 VanDerWaalsContact CD2-CB 3.48Å; F234-A516 HydrophobicContact CE1-CB 4.13Å; F234-A516 HydrophobicContact CE2-CB 3.47Å; F234-A516 VanDerWaalsContact CE2-CB 3.47Å; F234-A516 HydrophobicContact CG-CB 3.81Å; F234-A516 HydrophobicContact CZ-CB 3.8Å; F234-T519 HydrophobicContact CE1-CG2 3.85Å; F234-T519 WeakPolarHBondContact CE1-OG1 3.42Å; F234-T519 HydrophobicContact CZ-CG2 3.9Å; F234-H553 PolarHBondContact O-CE1 3.47Å; F234-H553 PolarHBondContact O-NE2 2.98Å; F234-T560 HydrophobicContact CD1-CG2 4.43Å; F234-T560 HydrophobicContact CE1-CG2 3.84Å
235V56Low40.9Very low7 Ų778.3 Ų78.34%0.04241%0.414CS..SBendtrans-94.2144.1179.6-1760000109.4V231 A237 F255 P512V231-V235 HydrophobicContact CG1-CG2 4.05Å; V235-A237 PolarHBondContact O-N 3.27Å; V235-F255 HydrophobicContact CB-CE2 4.46Å; V235-F255 HydrophobicContact CB-CZ 4.03Å; V235-F255 HydrophobicContact CG1-CE2 4.14Å; V235-F255 HydrophobicContact CG1-CZ 4.2Å; V235-P512 HydrophobicContact CG2-CB 4.46Å
236S51.6Low40.3Very low30 Ų3079.7 Ų79.721%0.2143%0.427CS..PPolyproline II helixtrans-65.3127.7176.1-160.80000110.9V238S236-V238 PolarHBondContact O-N 3.04Å
237A44.3Very low39.6Very low54 Ų5483.6 Ų83.645%0.44646%0.455SS..PPolyproline II helixtrans-70.6123.916100000107V235 D239V235-A237 PolarHBondContact O-N 3.27Å; A237-D239 PolarHBondContact O-N 3.22Å
238V37.7Very low38.8Very low72 Ų7289.7 Ų89.744%0.43648%0.477SS..  trans-25.2122.6-177-178.80000114.1V185 S236 N240V185-V238 HydrophobicContact CG2-CG2 4.38Å; S236-V238 PolarHBondContact O-N 3.04Å; V238-N240 PolarHBondContact O-N 3.07Å
239D32.4Very low37.9Very low118 Ų11891.3 Ų91.363%0.63151%0.505SS*.  trans-65.298.8158.7-73.4-35.8000107.9A237 E241A237-D239 PolarHBondContact O-N 3.22Å; D239-E241 PolarHBondContact O-N 2.95Å
240N29.9Very low37.1Very low132 Ų13293.7 Ų93.771%0.70651%0.512SS*.THydrogen-bonded Turntrans-66.48.4176.6-97-9.2000113.9V238V238-N240 PolarHBondContact O-N 3.07Å
241E27.9Very low36.2Very low170 Ų17095 Ų9579%0.79453%0.526SS*.THydrogen-bonded Turntrans-88.7-19.7-179.4-68.4-165.8161.800114.2D239D239-E241 PolarHBondContact O-N 2.95Å
242N26.5Very low35.3Very low146 Ų146103.4 Ų103.478%0.78156%0.564SS**  trans-117.827.7-170.4-82.5-25.2000116.1P244N242-P244 WeakPolarHBondContact O-CD 3.4Å
243Q25.2Very low34.7Very low128 Ų128104.9 Ų104.960%0.59857%0.571SS**  trans-93.5108.5158.4-81.5-168.5-9.900110.1Y245Q243-Y245 PolarHBondContact O-N 3.27Å
244P26.7Very low34.4Very low108 Ų108107.7 Ų107.770%0.70159%0.59SS**  trans-69.7118.5169.628.7-29.6000107.8N242 S246N242-P244 WeakPolarHBondContact O-CD 3.4Å; P244-S246 PolarHBondContact O-N 2.9Å
245Y25Very low33.9Very low239 Ų239109.1 Ų109.194%0.93760%0.596SS**  trans20.870.6161.4-72.9-90.3000114.7Q243Q243-Y245 PolarHBondContact O-N 3.27Å
246S28.2Very low33.9Very low74 Ų74113.7 Ų113.752%0.51762%0.62SS.*  trans-84.9130.9165.2-55.30000107.5P244P244-S246 PolarHBondContact O-N 2.9Å
247S26.3Very low34.6Very low109 Ų109114.4 Ų114.476%0.76262%0.623SS**  trans-57.3142.9-163.9-460000113.6G249S247-G249 PolarHBondContact O-N 3.28Å; S247-G249 VanDerWaalsContact O-N 3.16Å
248E23.6Very low35.7Very low204 Ų204112.3 Ų112.395%0.95361%0.606SS**THydrogen-bonded Turntrans-40.4113.8174.2-60.3177.6162.900112.1
249G25.4Very low37.1Very low78 Ų78109.6 Ų109.680%0.80459%0.589SS**THydrogen-bonded Turntrans145.5-9168.600000117.9S247 S251S247-G249 PolarHBondContact O-N 3.28Å; S247-G249 VanDerWaalsContact O-N 3.16Å; G249-S251 PolarHBondContact O-N 3.33Å
250E26.5Very low39.1Very low153 Ų153107.2 Ų107.272%0.71558%0.576SS**  trans-79.4115.7177-68.2-173.2173.600110.7H252E250-H252 PolarHBondContact O-N 3.44Å
251S30.2Very low41.7Very low83 Ų83102 Ų10258%0.5855%0.548SS*.  trans-53.3108.3172.450.50000110.1G249 F253G249-S251 PolarHBondContact O-N 3.33Å; S251-F253 VanDerWaalsContact O-CD2 3.32Å; S251-F253 WeakPolarHBondContact O-CD2 3.45Å; S251-F253 PolarHBondContact O-N 3.23Å; S251-F253 WeakPolarHBondContact OG-CE2 3.32Å
252H30.5Very low44.3Very low185 Ų18594.4 Ų94.486%0.85651%0.512SS*.  trans-62.594.7175-72.7-79.5000110.1E250E250-H252 PolarHBondContact O-N 3.44Å
253F40.2Very low47.1Very low96 Ų9690.1 Ų90.142%0.42149%0.492SS..  trans-78.7129.4168.9-75-79.2000109.4P177 A180 S251 T257P177-F253 HydrophobicContact CB-CD1 4.04Å; P177-F253 HydrophobicContact CB-CE1 4.31Å; P177-F253 HydrophobicContact CB-CG 4.19Å; P177-F253 HydrophobicContact CG-CD1 4.02Å; P177-F253 HydrophobicContact CG-CE1 3.79Å; P177-F253 HydrophobicContact CG-CZ 4.1Å; A180-F253 HydrophobicContact CB-CD2 4.31Å; S251-F253 VanDerWaalsContact O-CD2 3.32Å; S251-F253 WeakPolarHBondContact O-CD2 3.45Å; S251-F253 PolarHBondContact O-N 3.23Å; S251-F253 WeakPolarHBondContact OG-CE2 3.32Å; F253-T257 HydrophobicContact CD1-CG2 4.22Å
254S50.4Low50.1Low62 Ų6286.5 Ų86.543%0.43448%0.475SS..  trans-67.9149.3175.267.50000111.1D256 T257 A258S254-D256 PolarHBondContact O-N 3.47Å; S254-T257 VanDerWaalsContact O-CB 3.3Å; S254-T257 WeakPolarHBondContact O-CB 3.5Å; S254-T257 PolarHBondContact O-N 3.14Å; S254-T257 PolarHBondContact OG-N 3.01Å; S254-T257 PolarHBondContact OG-OG1 3.02Å; S254-A258 PolarHBondContact O-N 3.36Å
255F48.1Very low53.2Low44 Ų4481.4 Ų81.419%0.19344%0.441CS..Hα-helixtrans-53.3-40.8175.1179-88.2000112.3V185 V235 T257 A258 Q259V185-F255 HydrophobicContact CB-CE2 4.3Å; V185-F255 HydrophobicContact CG1-CD2 3.99Å; V185-F255 HydrophobicContact CG1-CE2 3.41Å; V185-F255 VanDerWaalsContact CG1-CE2 3.41Å; V185-F255 HydrophobicContact CG1-CZ 4.31Å; V185-F255 HydrophobicContact CG2-CD2 3.86Å; V185-F255 HydrophobicContact CG2-CE2 3.92Å; V235-F255 HydrophobicContact CB-CE2 4.46Å; V235-F255 HydrophobicContact CB-CZ 4.03Å; V235-F255 HydrophobicContact CG1-CE2 4.14Å; V235-F255 HydrophobicContact CG1-CZ 4.2Å; F255-T257 VanDerWaalsContact C-N 3.25Å; F255-T257 PolarHBondContact O-N 3.47Å; F255-A258 PolarHBondContact O-N 2.88Å; F255-A258 VanDerWaalsContact O-N 3.15Å; F255-Q259 PolarHBondContact O-N 3.44Å
256D55Low56.3Low103 Ų10370.3 Ų70.355%0.55140%0.399SS*.Hα-helixtrans-57.6-39.5176.7-62-35.3000111.8S254 A258 Q259 D260S254-D256 PolarHBondContact O-N 3.47Å; D256-A258 PolarHBondContact O-N 3.38Å; D256-Q259 PolarHBondContact O-N 3.39Å; D256-D260 PolarHBondContact O-N 3.24Å
257T66.3Low59.3Low44 Ų4470.2 Ų70.227%0.2739%0.39SS..Hα-helixtrans-63.4-43.6178.1-52.40000111.1F253 S254 F255 Q259 D260 M261F253-T257 HydrophobicContact CD1-CG2 4.22Å; S254-T257 VanDerWaalsContact O-CB 3.3Å; S254-T257 WeakPolarHBondContact O-CB 3.5Å; S254-T257 PolarHBondContact O-N 3.14Å; S254-T257 PolarHBondContact OG-N 3.01Å; S254-T257 PolarHBondContact OG-OG1 3.02Å; F255-T257 VanDerWaalsContact C-N 3.25Å; F255-T257 PolarHBondContact O-N 3.47Å; T257-Q259 VanDerWaalsContact C-N 3.34Å; T257-Q259 PolarHBondContact O-N 3.47Å; T257-D260 PolarHBondContact O-N 3.48Å; T257-M261 HydrophobicContact CG2-CE 4.26Å; T257-M261 HydrophobicContact CG2-CG 4.32Å; T257-M261 WeakPolarHBondContact O-CB 3.22Å; T257-M261 WeakPolarHBondContact O-CG 3.39Å; T257-M261 PolarHBondContact O-N 3Å
258A67.9Low62.4Low11 Ų1165 Ų659%0.09135%0.354CS..Hα-helixtrans-64.3-38.5-177.700000112.4L178 A181 S254 F255 D256 M261 L262L178-A258 WeakPolarHBondContact CD2-O 3.37Å; A181-A258 HydrophobicContact CB-CB 4.17Å; S254-A258 PolarHBondContact O-N 3.36Å; F255-A258 PolarHBondContact O-N 2.88Å; F255-A258 VanDerWaalsContact O-N 3.15Å; D256-A258 PolarHBondContact O-N 3.38Å; A258-M261 PolarHBondContact O-N 3.43Å; A258-L262 PolarHBondContact O-N 3.25Å
259Q66.3Low65.7Low14 Ų1455.3 Ų55.37%0.06531%0.308CS..Hα-helixtrans-71.7-40.7-179.9-168.372.9-11.400112.4I228 K232 F255 D256 T257 M261 L262 T263I228-Q259 HydrophobicContact CG2-CG 3.81Å; I228-Q259 PolarHBondContact O-NE2 3Å; K232-Q259 HydrophobicContact CG-CB 4.45Å; K232-Q259 HydrophobicContact CG-CG 3.81Å; F255-Q259 PolarHBondContact O-N 3.44Å; D256-Q259 PolarHBondContact O-N 3.39Å; T257-Q259 VanDerWaalsContact C-N 3.34Å; T257-Q259 PolarHBondContact O-N 3.47Å; Q259-M261 VanDerWaalsContact C-N 3.3Å; Q259-M261 PolarHBondContact O-N 2.9Å; Q259-L262 WeakPolarHBondContact O-CB 3.23Å; Q259-L262 PolarHBondContact O-N 3.44Å; Q259-L262 VanDerWaalsContact O-N 3.14Å; Q259-T263 PolarHBondContact O-N 3.12Å
260D74.4Confident68.8Low68 Ų6851.7 Ų51.736%0.36427%0.27SS..Hα-helixtrans-64.3-38.9175.3-68.3-18.2000110.6K232 D256 T257 L262 T263 H264K232-D260 WeakPolarHBondContact CE-OD1 3.27Å; K232-D260 IonicContact NZ-OD1 3.61Å; K232-D260 PolarHBondContact NZ-OD1 3Å; D256-D260 PolarHBondContact O-N 3.24Å; T257-D260 PolarHBondContact O-N 3.48Å; D260-L262 VanDerWaalsContact C-N 3.29Å; D260-L262 PolarHBondContact O-N 3.3Å; D260-T263 PolarHBondContact O-N 3.46Å; D260-H264 PolarHBondContact O-CD2 3.49Å; D260-H264 VanDerWaalsContact O-CD2 3.23Å; D260-H264 PolarHBondContact O-N 3.23Å
261M84.1Confident71.8Confident24 Ų2447.2 Ų47.212%0.11825%0.249CC..Hα-helixtrans-63.8-32.3172.7-66.4-58.6136.400113Y173 V174 P177 L178 T257 A258 Q259 H264 F265Y173-M261 HydrophobicContact CD1-SD 4.05Å; Y173-M261 HydrophobicContact CE1-CE 3.87Å; Y173-M261 HydrophobicContact CE1-SD 3.77Å; V174-M261 HydrophobicContact CB-CB 4.47Å; V174-M261 HydrophobicContact CB-SD 4.49Å; V174-M261 HydrophobicContact CG1-SD 4.02Å; P177-M261 HydrophobicContact CB-CG 4.25Å; P177-M261 HydrophobicContact CG-CG 4.17Å; L178-M261 HydrophobicContact CD2-CB 4.43Å; L178-M261 HydrophobicContact CG-CB 4.22Å; T257-M261 HydrophobicContact CG2-CE 4.26Å; T257-M261 HydrophobicContact CG2-CG 4.32Å; T257-M261 WeakPolarHBondContact O-CB 3.22Å; T257-M261 WeakPolarHBondContact O-CG 3.39Å; T257-M261 PolarHBondContact O-N 3Å; A258-M261 PolarHBondContact O-N 3.43Å; Q259-M261 VanDerWaalsContact C-N 3.3Å; Q259-M261 PolarHBondContact O-N 2.9Å; M261-H264 PolarHBondContact O-N 3.42Å; M261-F265 VanDerWaalsContact O-CB 3.27Å; M261-F265 WeakPolarHBondContact O-CB 3.32Å; M261-F265 PolarHBondContact O-N 3.46Å
262L84.1Confident74.7Confident9 Ų945.3 Ų45.35%0.04724%0.236CC..Hα-helixtrans-63.8-44.2177178.660.4000111.3L178 A258 Q259 D260 H264 F265 L266 L298 L301L178-L262 HydrophobicContact CD2-CB 3.89Å; L178-L262 HydrophobicContact CD2-CD1 4.45Å; A258-L262 PolarHBondContact O-N 3.25Å; Q259-L262 WeakPolarHBondContact O-CB 3.23Å; Q259-L262 PolarHBondContact O-N 3.44Å; Q259-L262 VanDerWaalsContact O-N 3.14Å; D260-L262 VanDerWaalsContact C-N 3.29Å; D260-L262 PolarHBondContact O-N 3.3Å; L262-H264 VanDerWaalsContact C-N 3.34Å; L262-H264 PolarHBondContact O-N 2.73Å; L262-F265 HydrophobicContact CD1-CD1 4.09Å; L262-F265 PolarHBondContact O-N 3.4Å; L262-L266 HydrophobicContact CD1-CD1 4.07Å; L262-L266 HydrophobicContact CD1-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CG 3.99Å; L262-L266 HydrophobicContact CG-CD1 4.07Å; L262-L266 HydrophobicContact CG-CG 4.39Å; L262-L266 WeakPolarHBondContact O-CB 3.35Å; L262-L266 WeakPolarHBondContact O-CG 3.33Å; L262-L266 PolarHBondContact O-N 3.47Å; L262-L298 HydrophobicContact CD1-CD2 4.09Å; L262-L301 HydrophobicContact CD1-CD1 3.83Å; L262-L301 HydrophobicContact CD2-CD1 4.11Å
263T84.2Confident77.5Confident57 Ų5743.4 Ų43.435%0.3523%0.227SC..Hα-helixtrans-57.4-49.1178.1-58.20000110.9Q259 D260 L266 E267Q259-T263 PolarHBondContact O-N 3.12Å; D260-T263 PolarHBondContact O-N 3.46Å; T263-L266 PolarHBondContact O-N 3.08Å; T263-E267 WeakPolarHBondContact O-CB 3.34Å; T263-E267 PolarHBondContact O-N 3.41Å
264H88.8Confident79.9Confident51 Ų5146 Ų4624%0.23624%0.241CC..Hα-helixtrans-64.8-41.8177.9-68-56.8000112.8V155 V174 D260 M261 L262 L266 E267 M268V155-H264 HydrophobicContact CG1-CB 3.36Å; V174-H264 HydrophobicContact CG1-CB 4.28Å; D260-H264 PolarHBondContact O-CD2 3.49Å; D260-H264 VanDerWaalsContact O-CD2 3.23Å; D260-H264 PolarHBondContact O-N 3.23Å; M261-H264 PolarHBondContact O-N 3.42Å; L262-H264 VanDerWaalsContact C-N 3.34Å; L262-H264 PolarHBondContact O-N 2.73Å; H264-L266 VanDerWaalsContact C-N 3.32Å; H264-L266 PolarHBondContact O-N 2.99Å; H264-E267 PolarHBondContact O-N 2.76Å; H264-M268 VanDerWaalsContact O-CB 3.29Å; H264-M268 WeakPolarHBondContact O-CB 3.35Å; H264-M268 WeakPolarHBondContact O-CG 3.15Å; H264-M268 PolarHBondContact O-N 3.2Å
265F91.6Very high81.9Confident1 Ų143.3 Ų43.30%0.00422%0.222CC..Hα-helixtrans-57.2-45.2175.8166-96.5000112.2V174 L175 L178 M261 L262 G269 L279 L283 L298 L302V174-F265 HydrophobicContact CB-CB 4.34Å; V174-F265 HydrophobicContact CG2-CB 4.01Å; V174-F265 HydrophobicContact CG2-CD2 4.1Å; L175-F265 HydrophobicContact CD2-CD2 3.87Å; L175-F265 HydrophobicContact CD2-CE2 3.6Å; L175-F265 HydrophobicContact CD2-CZ 4.42Å; L175-F265 HydrophobicContact CG-CD2 4.43Å; L175-F265 HydrophobicContact CG-CE2 4.37Å; L178-F265 HydrophobicContact CD1-CB 3.74Å; L178-F265 HydrophobicContact CD1-CD1 4.33Å; L178-F265 HydrophobicContact CD1-CD2 4.29Å; L178-F265 HydrophobicContact CD1-CG 3.86Å; M261-F265 VanDerWaalsContact O-CB 3.27Å; M261-F265 WeakPolarHBondContact O-CB 3.32Å; M261-F265 PolarHBondContact O-N 3.46Å; L262-F265 HydrophobicContact CD1-CD1 4.09Å; L262-F265 PolarHBondContact O-N 3.4Å; F265-G269 PolarHBondContact O-N 3.32Å; F265-L279 HydrophobicContact CD2-CD1 4.27Å; F265-L279 HydrophobicContact CE2-CD1 3.9Å; F265-L279 HydrophobicContact CE2-CD2 4.09Å; F265-L279 HydrophobicContact CZ-CD1 4.47Å; F265-L283 HydrophobicContact CE2-CD1 4.41Å; F265-L283 HydrophobicContact CZ-CD1 3.73Å; F265-L283 HydrophobicContact CZ-CD2 4.29Å; F265-L283 HydrophobicContact CZ-CG 4.5Å; F265-L298 HydrophobicContact CD1-CD2 4.26Å; F265-L298 HydrophobicContact CE1-CB 4.19Å; F265-L298 HydrophobicContact CE1-CD2 3.96Å; F265-L298 HydrophobicContact CZ-CB 4.1Å; F265-L298 HydrophobicContact CZ-CD2 4.43Å; F265-L302 HydrophobicContact CE1-CB 4.38Å
266L90Very high84.1Confident7 Ų741.8 Ų41.84%0.03722%0.215CC..Hα-helixtrans-68.2-41179.2-70.8179.2000112.1I228 L262 T263 H264 G269 C270 L301 L302 E305I228-L266 HydrophobicContact CD1-CD1 3.67Å; L262-L266 HydrophobicContact CD1-CD1 4.07Å; L262-L266 HydrophobicContact CD1-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CG 3.99Å; L262-L266 HydrophobicContact CG-CD1 4.07Å; L262-L266 HydrophobicContact CG-CG 4.39Å; L262-L266 WeakPolarHBondContact O-CB 3.35Å; L262-L266 WeakPolarHBondContact O-CG 3.33Å; L262-L266 PolarHBondContact O-N 3.47Å; T263-L266 PolarHBondContact O-N 3.08Å; H264-L266 VanDerWaalsContact C-N 3.32Å; H264-L266 PolarHBondContact O-N 2.99Å; L266-G269 PolarHBondContact O-N 3.02Å; L266-C270 WeakPolarHBondContact O-CB 3.47Å; L266-C270 PolarHBondContact O-N 3.38Å; L266-L301 HydrophobicContact CD2-CB 3.94Å; L266-L301 WeakPolarHBondContact CD2-O 3.41Å; L266-L302 HydrophobicContact CD2-CB 4.32Å; L266-L302 HydrophobicContact CD2-CD1 4.47Å; L266-E305 HydrophobicContact CB-CB 4.47Å; L266-E305 HydrophobicContact CB-CG 4.08Å; L266-E305 HydrophobicContact CD2-CB 4.07Å
267E90.7Very high85.9Confident72 Ų7239.3 Ų39.334%0.33620%0.202SC..Hα-helixtrans-62.3-48.8175.3-170.2-178.3-174.700111.9W161 T263 H264 G269 C270 H271W161-E267 HydrophobicContact CH2-CB 4.38Å; W161-E267 HydrophobicContact CH2-CG 3.87Å; W161-E267 HydrophobicContact CZ3-CG 4.17Å; T263-E267 WeakPolarHBondContact O-CB 3.34Å; T263-E267 PolarHBondContact O-N 3.41Å; H264-E267 PolarHBondContact O-N 2.76Å; E267-G269 VanDerWaalsContact C-N 3.35Å; E267-G269 PolarHBondContact O-N 3.35Å; E267-C270 CarbonylContact O-C 3.58Å; E267-C270 PolarHBondContact O-N 3.46Å; E267-H271 PolarHBondContact O-N 3.47Å
268M92.2Very high87.2Confident0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-56.8-47.9175.9-77.2178.262.900111.7V155 W161 F167 C170 V171 V174 H264 C270 H271V155-M268 HydrophobicContact CG1-SD 4.39Å; W161-M268 HydrophobicContact CD2-CB 4.48Å; W161-M268 HydrophobicContact CD2-CG 3.76Å; W161-M268 HydrophobicContact CE3-CG 4.16Å; W161-M268 HydrophobicContact CG-CG 4.42Å; W161-M268 HydrophobicContact CH2-CG 3.85Å; W161-M268 HydrophobicContact CZ2-CG 3.42Å; W161-M268 VanDerWaalsContact CZ2-CG 3.42Å; W161-M268 HydrophobicContact CZ2-SD 4.49Å; W161-M268 HydrophobicContact CZ3-CG 4.21Å; F167-M268 HydrophobicContact CD2-CE 3.88Å; F167-M268 HydrophobicContact CE2-CB 4.29Å; F167-M268 HydrophobicContact CE2-CE 3.78Å; C170-M268 HydrophobicContact CB-CE 3.46Å; C170-M268 VanDerWaalsContact CB-CE 3.46Å; C170-M268 HydrophobicContact CB-SD 4.07Å; V171-M268 HydrophobicContact CG2-CE 3.6Å; V174-M268 HydrophobicContact CG1-SD 4.32Å; V174-M268 HydrophobicContact CG2-SD 4.4Å; H264-M268 VanDerWaalsContact O-CB 3.29Å; H264-M268 WeakPolarHBondContact O-CB 3.35Å; H264-M268 WeakPolarHBondContact O-CG 3.15Å; H264-M268 PolarHBondContact O-N 3.2Å; M268-C270 VanDerWaalsContact C-N 3.29Å; M268-C270 PolarHBondContact O-N 3.43Å; M268-H271 WeakPolarHBondContact O-CB 3.22Å; M268-H271 PolarHBondContact O-N 3.35Å
269G92.1Very high88.5Confident0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-67.4-30-178.700000113.9F265 L266 E267 Y276F265-G269 PolarHBondContact O-N 3.32Å; L266-G269 PolarHBondContact O-N 3.02Å; E267-G269 VanDerWaalsContact C-N 3.35Å; E267-G269 PolarHBondContact O-N 3.35Å; G269-Y276 WeakPolarHBondContact O-CA 3.43Å; G269-Y276 WeakPolarHBondContact O-CB 3.38Å; G269-Y276 PolarHBondContact O-N 3.38Å
270C91.1Very high89.8Confident1 Ų138.6 Ų38.61%0.00720%0.195CC..THydrogen-bonded Turntrans-98.613.5175.7-750000113.6L266 E267 M268 E305 R311L266-C270 WeakPolarHBondContact O-CB 3.47Å; L266-C270 PolarHBondContact O-N 3.38Å; E267-C270 CarbonylContact O-C 3.58Å; E267-C270 PolarHBondContact O-N 3.46Å; M268-C270 VanDerWaalsContact C-N 3.29Å; M268-C270 PolarHBondContact O-N 3.43Å; C270-E305 HydrophobicContact CB-CG 4.36Å; C270-R311 PolarHBondContact O-NH1 2.92Å; C270-R311 PolarHBondContact O-NH2 3.28Å
271H89.6Confident90.7Very high60 Ų6038.3 Ų38.328%0.27820%0.199SC..THydrogen-bonded Turntrans-71.8-58.5176.9-176.667000110.6W161 E267 M268 R311W161-H271 HydrophobicContact CE3-CB 3.61Å; W161-H271 AromaticContact CE3-CD2 3.79Å; W161-H271 AromaticContact CE3-CG 3.48Å; W161-H271 VanDerWaalsContact CE3-CG 3.48Å; W161-H271 AromaticContact CE3-ND1 3.86Å; W161-H271 HydrophobicContact CZ3-CB 3.79Å; W161-H271 AromaticContact CZ3-CG 3.8Å; W161-H271 AromaticContact CZ3-ND1 3.86Å; E267-H271 PolarHBondContact O-N 3.47Å; M268-H271 WeakPolarHBondContact O-CB 3.22Å; M268-H271 PolarHBondContact O-N 3.35Å; H271-R311 PolarHBondContact O-NH1 3.45Å; H271-R311 PolarHBondContact O-NH2 2.67Å
272S90Very high91.1Very high42 Ų4239.3 Ų39.329%0.29420%0.204SC..  trans-126.5159.4-178.970.70000112.6H274 G275 Y276S272-H274 VanDerWaalsContact C-N 3.31Å; S272-H274 PolarHBondContact O-N 3.11Å; S272-G275 PolarHBondContact O-N 3.3Å; S272-G275 PolarHBondContact OG-N 3.46Å; S272-Y276 PolarHBondContact O-N 3.29Å
273E90.6Very high91.5Very high145 Ų14538.9 Ų38.968%0.67820%0.201SC*.Hα-helixtrans-60.9-40.8176.4-62.1-175.117600111.9Y276 L277E273-Y276 PolarHBondContact O-N 3.46Å; E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 3.33Å; E273-L277 VanDerWaalsContact O-N 3.08Å
274H90.6Very high91.8Very high151 Ų15137.4 Ų37.470%0.69919%0.191SC*.Hα-helixtrans-67.6-40.5177.3-56.3-56.6000112S272 Y276 L277 L278S272-H274 VanDerWaalsContact C-N 3.31Å; S272-H274 PolarHBondContact O-N 3.11Å; H274-Y276 VanDerWaalsContact C-N 3.35Å; H274-L277 PolarHBondContact O-N 2.78Å; H274-L278 VanDerWaalsContact O-CB 3.26Å; H274-L278 WeakPolarHBondContact O-CB 3.18Å; H274-L278 PolarHBondContact O-N 3.42Å
275G91.8Very high91.9Very high5 Ų538 Ų385%0.05220%0.2CC..Hα-helixtrans-60.7-44.5175.500000111.8S272 L278 L279S272-G275 PolarHBondContact O-N 3.3Å; S272-G275 PolarHBondContact OG-N 3.46Å; G275-L278 PolarHBondContact O-N 3.3Å; G275-L279 WeakPolarHBondContact O-CB 3.3Å; G275-L279 PolarHBondContact O-N 2.98Å
276Y94.6Very high91.8Very high12 Ų1240.1 Ų40.15%0.04721%0.211CC..Hα-helixtrans-57.8-53.5174.7-179.7-95.2000111.9G269 S272 E273 H274 L278 L279 Q280 L302 E303 A306 V313 Y316G269-Y276 WeakPolarHBondContact O-CA 3.43Å; G269-Y276 WeakPolarHBondContact O-CB 3.38Å; G269-Y276 PolarHBondContact O-N 3.38Å; S272-Y276 PolarHBondContact O-N 3.29Å; E273-Y276 PolarHBondContact O-N 3.46Å; H274-Y276 VanDerWaalsContact C-N 3.35Å; Y276-L278 VanDerWaalsContact C-N 3.33Å; Y276-L278 PolarHBondContact O-N 3.08Å; Y276-L279 PolarHBondContact O-N 3.22Å; Y276-Q280 HydrophobicContact CD1-CG 4.12Å; Y276-Q280 HydrophobicContact CE1-CG 3.65Å; Y276-Q280 HydrophobicContact CE2-CG 4.1Å; Y276-Q280 WeakPolarHBondContact O-CB 3.22Å; Y276-Q280 WeakPolarHBondContact O-CG 3.35Å; Y276-Q280 PolarHBondContact O-N 3.15Å; Y276-Q280 PolarHBondContact OH-NE2 2.88Å; Y276-L302 HydrophobicContact CD2-CD1 4.1Å; Y276-L302 HydrophobicContact CD2-CD2 4.17Å; Y276-L302 HydrophobicContact CD2-CG 3.89Å; Y276-L302 HydrophobicContact CE2-CD1 4.31Å; Y276-L302 HydrophobicContact CE2-CD2 4.24Å; Y276-L302 HydrophobicContact CE2-CG 3.73Å; Y276-E303 WeakPolarHBondContact OH-CG 3.48Å; Y276-A306 HydrophobicContact CD2-CB 4.37Å; Y276-A306 HydrophobicContact CE2-CB 3.87Å; Y276-V313 HydrophobicContact CD1-CG1 4.38Å; Y276-V313 HydrophobicContact CE1-CB 4.04Å; Y276-V313 HydrophobicContact CE1-CG1 3.74Å; Y276-V313 HydrophobicContact CE2-CG1 3.97Å; Y276-V313 WeakPolarHBondContact OH-CB 3.18Å; Y276-Y316 HydrophobicContact CE1-CD2 4.41Å
277L93.1Very high91.6Very high52 Ų5240.1 Ų40.127%0.27221%0.212SC..Hα-helixtrans-63.2-38.9-178.2-70.6175.4000112.6E273 H274 S281 Y316E273-L277 WeakPolarHBondContact O-CG 3.45Å; E273-L277 PolarHBondContact O-N 3.33Å; E273-L277 VanDerWaalsContact O-N 3.08Å; H274-L277 PolarHBondContact O-N 2.78Å; L277-S281 VanDerWaalsContact O-CB 3.3Å; L277-S281 WeakPolarHBondContact O-CB 3.36Å; L277-S281 PolarHBondContact O-N 2.9Å; L277-S281 PolarHBondContact O-OG 2.85Å; L277-Y316 HydrophobicContact CD1-CE1 4.34Å; L277-Y316 HydrophobicContact CD2-CD1 3.5Å; L277-Y316 HydrophobicContact CD2-CD2 3.88Å; L277-Y316 HydrophobicContact CD2-CE1 3.58Å; L277-Y316 HydrophobicContact CD2-CE2 3.94Å; L277-Y316 HydrophobicContact CD2-CG 3.65Å
278L93.3Very high91.3Very high54 Ų5442.7 Ų42.728%0.28322%0.219SC..Hα-helixtrans-65.8-47.1178.1-178.458000110.9L164 F167 L168 H274 G275 Y276 S281 I282L164-L278 HydrophobicContact CD1-CD2 3.53Å; F167-L278 HydrophobicContact CD1-CD2 3.8Å; F167-L278 HydrophobicContact CE1-CD2 3.69Å; F167-L278 HydrophobicContact CE1-CG 4.28Å; L168-L278 HydrophobicContact CD2-CD2 3.97Å; H274-L278 VanDerWaalsContact O-CB 3.26Å; H274-L278 WeakPolarHBondContact O-CB 3.18Å; H274-L278 PolarHBondContact O-N 3.42Å; G275-L278 PolarHBondContact O-N 3.3Å; Y276-L278 VanDerWaalsContact C-N 3.33Å; Y276-L278 PolarHBondContact O-N 3.08Å; L278-S281 PolarHBondContact O-N 3.21Å; L278-I282 HydrophobicContact CD1-CD1 4.09Å; L278-I282 HydrophobicContact CD1-CG1 4.39Å; L278-I282 HydrophobicContact CG-CD1 3.96Å; L278-I282 VanDerWaalsContact O-CG1 3.26Å; L278-I282 WeakPolarHBondContact O-CG1 3.5Å; L278-I282 PolarHBondContact O-N 3.32Å
279L94.9Very high90.9Very high0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-62.9-46.9175.9-79.4-174.6000112.2F167 V171 F265 G275 Y276 S281 I282 L283 L302F167-L279 HydrophobicContact CZ-CD1 4.38Å; F167-L279 HydrophobicContact CZ-CG 4.07Å; V171-L279 HydrophobicContact CB-CD2 4.2Å; V171-L279 HydrophobicContact CG1-CD2 3.48Å; V171-L279 VanDerWaalsContact CG1-CD2 3.48Å; V171-L279 HydrophobicContact CG2-CD2 3.56Å; V171-L279 HydrophobicContact CG2-CG 4.4Å; F265-L279 HydrophobicContact CD2-CD1 4.27Å; F265-L279 HydrophobicContact CE2-CD1 3.9Å; F265-L279 HydrophobicContact CE2-CD2 4.09Å; F265-L279 HydrophobicContact CZ-CD1 4.47Å; G275-L279 WeakPolarHBondContact O-CB 3.3Å; G275-L279 PolarHBondContact O-N 2.98Å; Y276-L279 PolarHBondContact O-N 3.22Å; L279-S281 VanDerWaalsContact C-N 3.26Å; L279-S281 PolarHBondContact O-N 2.74Å; L279-I282 PolarHBondContact O-N 2.79Å; L279-I282 VanDerWaalsContact O-N 3.17Å; L279-L283 WeakPolarHBondContact O-CB 3.19Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 2.95Å; L279-L302 HydrophobicContact CB-CD2 3.76Å; L279-L302 HydrophobicContact CD1-CD2 4.27Å
280Q93.9Very high90.4Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-55.9-44.2175-75.3-64.2-6.400111Y276 I282 L283 Q284 I299 L302 L320Y276-Q280 HydrophobicContact CD1-CG 4.12Å; Y276-Q280 HydrophobicContact CE1-CG 3.65Å; Y276-Q280 HydrophobicContact CE2-CG 4.1Å; Y276-Q280 WeakPolarHBondContact O-CB 3.22Å; Y276-Q280 WeakPolarHBondContact O-CG 3.35Å; Y276-Q280 PolarHBondContact O-N 3.15Å; Y276-Q280 PolarHBondContact OH-NE2 2.88Å; Q280-I282 PolarHBondContact O-N 3.29Å; Q280-L283 PolarHBondContact O-N 3Å; Q280-Q284 WeakPolarHBondContact O-CB 3.39Å; Q280-Q284 WeakPolarHBondContact O-CG 3.5Å; Q280-Q284 PolarHBondContact O-N 3.3Å; Q280-I299 PolarHBondContact NE2-O 3Å; Q280-I299 VanDerWaalsContact NE2-O 3.12Å; Q280-L302 HydrophobicContact CG-CD2 4.1Å; Q280-L320 HydrophobicContact CB-CD1 4.02Å
281S92.3Very high89.6Confident62 Ų6264.1 Ų64.143%0.43431%0.314SS..Hα-helixtrans-63.5-43.4177.7-58.40000112.6L277 L278 L279 Q284 C285L277-S281 VanDerWaalsContact O-CB 3.3Å; L277-S281 WeakPolarHBondContact O-CB 3.36Å; L277-S281 PolarHBondContact O-N 2.9Å; L277-S281 PolarHBondContact O-OG 2.85Å; L278-S281 PolarHBondContact O-N 3.21Å; L279-S281 VanDerWaalsContact C-N 3.26Å; L279-S281 PolarHBondContact O-N 2.74Å; S281-Q284 PolarHBondContact O-N 3.21Å; S281-C285 PolarHBondContact O-N 3.35Å; S281-C285 PolarHBondContact O-SG 3.16Å
282I94Very high89Confident44 Ų4462.3 Ų62.323%0.22631%0.308CS..Hα-helixtrans-62-48.9177.2-71165.2000110L168 V171 L175 L278 L279 Q280 Q284 C285 L286L168-I282 HydrophobicContact CD2-CD1 4.1Å; V171-I282 HydrophobicContact CG1-CD1 4.35Å; L175-I282 HydrophobicContact CD1-CG2 4.19Å; L278-I282 HydrophobicContact CD1-CD1 4.09Å; L278-I282 HydrophobicContact CD1-CG1 4.39Å; L278-I282 HydrophobicContact CG-CD1 3.96Å; L278-I282 VanDerWaalsContact O-CG1 3.26Å; L278-I282 WeakPolarHBondContact O-CG1 3.5Å; L278-I282 PolarHBondContact O-N 3.32Å; L279-I282 PolarHBondContact O-N 2.79Å; L279-I282 VanDerWaalsContact O-N 3.17Å; Q280-I282 PolarHBondContact O-N 3.29Å; I282-Q284 VanDerWaalsContact C-N 3.33Å; I282-Q284 PolarHBondContact O-N 3.18Å; I282-C285 WeakPolarHBondContact O-CB 3.18Å; I282-C285 PolarHBondContact O-N 2.83Å; I282-C285 VanDerWaalsContact O-N 3.12Å; I282-L286 HydrophobicContact CG2-CD1 3.94Å; I282-L286 HydrophobicContact CG2-CG 4.39Å; I282-L286 WeakPolarHBondContact O-CG 3.32Å; I282-L286 PolarHBondContact O-N 3.31Å
283L92.9Very high88.5Confident0 Ų066 Ų660%032%0.32CS..Hα-helixtrans-65.1-37.3-179.2-63.2163.8000111.9L175 F265 L279 Q280 C285 L286 A287 L298 I299 L302L175-L283 HydrophobicContact CD2-CD2 4.05Å; F265-L283 HydrophobicContact CE2-CD1 4.41Å; F265-L283 HydrophobicContact CZ-CD1 3.73Å; F265-L283 HydrophobicContact CZ-CD2 4.29Å; F265-L283 HydrophobicContact CZ-CG 4.5Å; L279-L283 WeakPolarHBondContact O-CB 3.19Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 2.95Å; Q280-L283 PolarHBondContact O-N 3Å; L283-C285 VanDerWaalsContact C-N 3.31Å; L283-C285 PolarHBondContact O-N 2.97Å; L283-L286 HydrophobicContact CD2-CD1 4.48Å; L283-L286 CarbonylContact O-C 3.24Å; L283-L286 PolarHBondContact O-N 2.99Å; L283-A287 WeakPolarHBondContact O-CB 3.24Å; L283-A287 PolarHBondContact O-N 2.92Å; L283-L298 HydrophobicContact CD1-CB 4.15Å; L283-L298 HydrophobicContact CD2-CB 3.7Å; L283-L298 HydrophobicContact CD2-CD1 3.91Å; L283-L298 HydrophobicContact CD2-CG 4.49Å; L283-I299 HydrophobicContact CB-CD1 3.96Å; L283-I299 HydrophobicContact CB-CG1 3.44Å; L283-I299 VanDerWaalsContact CB-CG1 3.44Å; L283-I299 HydrophobicContact CD1-CG1 4.04Å; L283-I299 HydrophobicContact CG-CG1 4.36Å; L283-L302 HydrophobicContact CD1-CD2 4.3Å
284Q90Very high88Confident27 Ų2759.1 Ų59.113%0.12629%0.288CS..Hα-helixtrans-63.4-39.1173.4-70.5-72.3-8.500111.3Q280 S281 I282 R288 I299 L320Q280-Q284 WeakPolarHBondContact O-CB 3.39Å; Q280-Q284 WeakPolarHBondContact O-CG 3.5Å; Q280-Q284 PolarHBondContact O-N 3.3Å; S281-Q284 PolarHBondContact O-N 3.21Å; I282-Q284 VanDerWaalsContact C-N 3.33Å; I282-Q284 PolarHBondContact O-N 3.18Å; Q284-R288 WeakPolarHBondContact O-CG 3.46Å; Q284-R288 PolarHBondContact O-N 2.67Å; Q284-R288 PolarHBondContact O-NH1 2.93Å; Q284-I299 HydrophobicContact CG-CD1 4.05Å; Q284-L320 HydrophobicContact CG-CB 4.45Å; Q284-L320 HydrophobicContact CG-CD1 4.17Å; Q284-L320 HydrophobicContact CG-CD2 4.2Å
285C90.3Very high87.7Confident63 Ų6351.9 Ų51.943%0.42625%0.254SS..Hα-helixtrans-65-39.4172.4-65.40000112.4S281 I282 L283 K289S281-C285 PolarHBondContact O-N 3.35Å; S281-C285 PolarHBondContact O-SG 3.16Å; I282-C285 WeakPolarHBondContact O-CB 3.18Å; I282-C285 PolarHBondContact O-N 2.83Å; I282-C285 VanDerWaalsContact O-N 3.12Å; L283-C285 VanDerWaalsContact C-N 3.31Å; L283-C285 PolarHBondContact O-N 2.97Å; C285-K289 WeakPolarHBondContact O-CG 3.19Å; C285-K289 PolarHBondContact O-N 3.45Å
286L90.3Very high87.3Confident45 Ų4556.2 Ų56.224%0.23627%0.273CS..Hα-helixtrans-68.4-44.9176.9-70.2171.9000111.4L175 L179 I282 L283 R288 K289 M290 A295L175-L286 HydrophobicContact CD1-CD1 4.32Å; L179-L286 HydrophobicContact CD1-CD1 4.04Å; I282-L286 HydrophobicContact CG2-CD1 3.94Å; I282-L286 HydrophobicContact CG2-CG 4.39Å; I282-L286 WeakPolarHBondContact O-CG 3.32Å; I282-L286 PolarHBondContact O-N 3.31Å; L283-L286 HydrophobicContact CD2-CD1 4.48Å; L283-L286 CarbonylContact O-C 3.24Å; L283-L286 PolarHBondContact O-N 2.99Å; L286-R288 PolarHBondContact O-N 3.46Å; L286-K289 PolarHBondContact O-N 3.32Å; L286-M290 HydrophobicContact CB-SD 4.17Å; L286-M290 HydrophobicContact CD2-SD 4.47Å; L286-M290 WeakPolarHBondContact O-CB 3.34Å; L286-M290 VanDerWaalsContact O-CG 3.28Å; L286-M290 WeakPolarHBondContact O-CG 3.28Å; L286-M290 PolarHBondContact O-N 2.85Å; L286-A295 HydrophobicContact CB-CB 3.94Å
287A86.1Confident86.6Confident8 Ų856.2 Ų56.27%0.06627%0.273CS..Hα-helixtrans-56.7-34.5178.200000112.7L283 A295 I299L283-A287 WeakPolarHBondContact O-CB 3.24Å; L283-A287 PolarHBondContact O-N 2.92Å; A287-A295 HydrophobicContact CB-CB 3.9Å; A287-I299 HydrophobicContact CB-CD1 4.08Å
288R83.2Confident86.4Confident125 Ų12554 Ų5447%0.47226%0.262SS..Hα-helixtrans-73.7-30173.8-68.6-179.9-167.9107.2-0.8114.2Q284 L286 E412Q284-R288 WeakPolarHBondContact O-CG 3.46Å; Q284-R288 PolarHBondContact O-N 2.67Å; Q284-R288 PolarHBondContact O-NH1 2.93Å; L286-R288 PolarHBondContact O-N 3.46Å; R288-E412 WeakPolarHBondContact CD-OE1 3.38Å; R288-E412 IonicContact CZ-OE1 2.88Å; R288-E412 IonicContact NE-OE1 3.37Å; R288-E412 PolarHBondContact NE-OE1 3.31Å; R288-E412 IonicContact NH2-OE1 2.82Å
289K84.5Confident86.1Confident180 Ų18052 Ų5278%0.78325%0.251SS*.Hα-helixtrans-95.5-28.9-173.6-71.7-177.9178.1-176.10113.1C285 L286C285-K289 WeakPolarHBondContact O-CG 3.19Å; C285-K289 PolarHBondContact O-N 3.45Å; L286-K289 PolarHBondContact O-N 3.32Å
290M81.3Confident85.6Confident58 Ų5852.5 Ų52.529%0.28625%0.253SS..  trans-87.1140-178.4-64.9-175.674.300110.1L179 L286 S292 A295L179-M290 HydrophobicContact CB-CE 4.39Å; L179-M290 HydrophobicContact CD1-SD 4.33Å; L179-M290 HydrophobicContact CD2-CE 4.04Å; L179-M290 HydrophobicContact CD2-SD 3.85Å; L286-M290 HydrophobicContact CB-SD 4.17Å; L286-M290 HydrophobicContact CD2-SD 4.47Å; L286-M290 WeakPolarHBondContact O-CB 3.34Å; L286-M290 VanDerWaalsContact O-CG 3.28Å; L286-M290 WeakPolarHBondContact O-CG 3.28Å; L286-M290 PolarHBondContact O-N 2.85Å; M290-S292 VanDerWaalsContact C-N 3.3Å; M290-A295 HydrophobicContact SD-CB 4.42Å
291K74.1Confident85.1Confident214 Ų21453.3 Ų53.393%0.9326%0.257SS*.SBendtrans-75.7-22.9170.4-64.8-176.8179.3-179.40112.5
292S77.4Confident84.9Confident22 Ų2250.3 Ų50.315%0.15424%0.236CC..SBendtrans-78.7151.6-178.8151.50000111.9D183 M290 C294D183-S292 VanDerWaalsContact CG-OG 3.23Å; D183-S292 WeakPolarHBondContact OD1-CB 3.39Å; D183-S292 PolarHBondContact OD1-OG 2.77Å; D183-S292 WeakPolarHBondContact OD2-CA 3.46Å; D183-S292 VanDerWaalsContact OD2-CB 3.29Å; D183-S292 WeakPolarHBondContact OD2-CB 3.42Å; D183-S292 PolarHBondContact OD2-OG 2.88Å; M290-S292 VanDerWaalsContact C-N 3.3Å; S292-C294 VanDerWaalsContact C-N 3.26Å; S292-C294 PolarHBondContact O-N 3.45Å; S292-C294 VanDerWaalsContact OG-CB 3.24Å; S292-C294 WeakPolarHBondContact OG-CB 3.21Å; S292-C294 PolarHBondContact OG-N 3.41Å
293H78.5Confident84.5Confident119 Ų11949.1 Ų49.155%0.55123%0.23SC*.SBendtrans-82.2-1.5176.8-62.4-64.1000113.4D183 A295 H296 H297D183-H293 PolarHBondContact OD1-N 2.8Å; H293-A295 PolarHBondContact O-N 2.99Å; H293-H296 WeakPolarHBondContact O-CB 3.35Å; H293-H296 PolarHBondContact O-N 2.92Å; H293-H297 PolarHBondContact O-N 2.93Å
294C80Confident83.9Confident0 Ų049.6 Ų49.60%023%0.234CC..Hα-helixtrans-53.8-46.9-178.4177.80000113.5D183 K186 S292 H296 H297 L298D183-C294 PolarHBondContact OD1-N 3.35Å; K186-C294 HydrophobicContact CD-CB 3.82Å; K186-C294 WeakPolarHBondContact CD-SG 3.37Å; K186-C294 WeakPolarHBondContact CE-SG 3.47Å; K186-C294 PolarHBondContact NZ-SG 3.37Å; S292-C294 VanDerWaalsContact C-N 3.26Å; S292-C294 PolarHBondContact O-N 3.45Å; S292-C294 VanDerWaalsContact OG-CB 3.24Å; S292-C294 WeakPolarHBondContact OG-CB 3.21Å; S292-C294 PolarHBondContact OG-N 3.41Å; C294-H296 VanDerWaalsContact C-N 3.33Å; C294-H296 PolarHBondContact O-N 2.82Å; C294-H297 WeakPolarHBondContact O-CB 3.44Å; C294-H297 PolarHBondContact O-N 2.81Å; C294-H297 VanDerWaalsContact O-N 3.16Å; C294-L298 WeakPolarHBondContact O-CG 3.32Å; C294-L298 PolarHBondContact O-N 3.48Å
295A86.3Confident83.5Confident0 Ų049.4 Ų49.40%023%0.233CC..Hα-helixtrans-65.6-38.2-178.200000111.9L286 A287 M290 H293 H297 L298 I299L286-A295 HydrophobicContact CB-CB 3.94Å; A287-A295 HydrophobicContact CB-CB 3.9Å; M290-A295 HydrophobicContact SD-CB 4.42Å; H293-A295 PolarHBondContact O-N 2.99Å; A295-H297 VanDerWaalsContact C-N 3.29Å; A295-H297 PolarHBondContact O-N 2.91Å; A295-L298 PolarHBondContact O-N 3.4Å; A295-I299 WeakPolarHBondContact O-CG1 3.4Å; A295-I299 PolarHBondContact O-N 3.27Å
296H83Confident83.4Confident95 Ų9546.4 Ų46.444%0.4421%0.213SC..Hα-helixtrans-61.8-38.7172.8-66.694.3000111.6H293 C294 I299 W300H293-H296 WeakPolarHBondContact O-CB 3.35Å; H293-H296 PolarHBondContact O-N 2.92Å; C294-H296 VanDerWaalsContact C-N 3.33Å; C294-H296 PolarHBondContact O-N 2.82Å; H296-I299 WeakPolarHBondContact O-CB 3.37Å; H296-I299 PolarHBondContact O-N 3.45Å; H296-W300 PolarHBondContact O-N 3.11Å
297H80.2Confident83.1Confident13 Ų1345.2 Ų45.26%0.0621%0.208CC..Hα-helixtrans-66.1-44.2175.5-172.5179.3000111.6K186 F190 H293 C294 A295 I299 W300 L301K186-H297 PolarHBondContact O-CE1 3.47Å; K186-H297 PolarHBondContact O-ND1 3.5Å; K186-H297 VanDerWaalsContact O-ND1 3.11Å; F190-H297 VanDerWaalsContact CA-CE1 3.47Å; F190-H297 WeakPolarHBondContact CA-CE1 3.47Å; F190-H297 WeakPolarHBondContact CA-NE2 3.43Å; F190-H297 VanDerWaalsContact CB-CE1 3.45Å; F190-H297 WeakPolarHBondContact CB-CE1 3.31Å; F190-H297 AromaticContact CD2-CD2 3.56Å; F190-H297 AromaticContact CD2-NE2 3.85Å; F190-H297 PolarHBondContact N-CE1 3.19Å; H293-H297 PolarHBondContact O-N 2.93Å; C294-H297 WeakPolarHBondContact O-CB 3.44Å; C294-H297 PolarHBondContact O-N 2.81Å; C294-H297 VanDerWaalsContact O-N 3.16Å; A295-H297 VanDerWaalsContact C-N 3.29Å; A295-H297 PolarHBondContact O-N 2.91Å; H297-I299 VanDerWaalsContact C-N 3.33Å; H297-I299 PolarHBondContact O-N 2.9Å; H297-W300 AromaticContact CD2-CE3 3.95Å; H297-W300 WeakPolarHBondContact O-CB 3.39Å; H297-W300 PolarHBondContact O-N 2.87Å; H297-W300 VanDerWaalsContact O-N 3.11Å; H297-L301 WeakPolarHBondContact NE2-CD1 3.32Å; H297-L301 PolarHBondContact O-N 3.32Å
298L87.1Confident82.7Confident4 Ų450.2 Ų50.22%0.02123%0.225CC..Hα-helixtrans-63.7-37.1177.3-69174.9000112.8L175 L178 L179 L262 F265 L283 C294 A295 W300 L301 L302L175-L298 HydrophobicContact CD2-CD1 3.77Å; L178-L298 HydrophobicContact CB-CD1 4.33Å; L178-L298 HydrophobicContact CD1-CD2 4.15Å; L179-L298 HydrophobicContact CD2-CD1 4.12Å; L262-L298 HydrophobicContact CD1-CD2 4.09Å; F265-L298 HydrophobicContact CD1-CD2 4.26Å; F265-L298 HydrophobicContact CE1-CB 4.19Å; F265-L298 HydrophobicContact CE1-CD2 3.96Å; F265-L298 HydrophobicContact CZ-CB 4.1Å; F265-L298 HydrophobicContact CZ-CD2 4.43Å; L283-L298 HydrophobicContact CD1-CB 4.15Å; L283-L298 HydrophobicContact CD2-CB 3.7Å; L283-L298 HydrophobicContact CD2-CD1 3.91Å; L283-L298 HydrophobicContact CD2-CG 4.49Å; C294-L298 WeakPolarHBondContact O-CG 3.32Å; C294-L298 PolarHBondContact O-N 3.48Å; A295-L298 PolarHBondContact O-N 3.4Å; L298-W300 PolarHBondContact O-N 3.44Å; L298-L301 HydrophobicContact CD2-CD1 4.39Å; L298-L301 PolarHBondContact O-N 2.93Å; L298-L302 WeakPolarHBondContact O-CB 3.45Å; L298-L302 PolarHBondContact O-N 3.15Å; L298-L302 VanDerWaalsContact O-N 3.08Å
299I88.7Confident82.8Confident12 Ų1248.7 Ų48.76%0.06222%0.219CC..Hα-helixtrans-53-49.7171.3-75.9158.7000109.5Q280 L283 Q284 A287 A295 H296 H297 L302 E303Q280-I299 PolarHBondContact NE2-O 3Å; Q280-I299 VanDerWaalsContact NE2-O 3.12Å; L283-I299 HydrophobicContact CB-CD1 3.96Å; L283-I299 HydrophobicContact CB-CG1 3.44Å; L283-I299 VanDerWaalsContact CB-CG1 3.44Å; L283-I299 HydrophobicContact CD1-CG1 4.04Å; L283-I299 HydrophobicContact CG-CG1 4.36Å; Q284-I299 HydrophobicContact CG-CD1 4.05Å; A287-I299 HydrophobicContact CB-CD1 4.08Å; A295-I299 WeakPolarHBondContact O-CG1 3.4Å; A295-I299 PolarHBondContact O-N 3.27Å; H296-I299 WeakPolarHBondContact O-CB 3.37Å; H296-I299 PolarHBondContact O-N 3.45Å; H297-I299 VanDerWaalsContact C-N 3.33Å; H297-I299 PolarHBondContact O-N 2.9Å; I299-L302 PolarHBondContact O-N 3.21Å; I299-E303 WeakPolarHBondContact O-CG 3.44Å; I299-E303 PolarHBondContact O-N 3.32Å; I299-E303 VanDerWaalsContact O-N 3.07Å
300W83Confident82.7Confident12 Ų1242.2 Ų42.25%0.04520%0.204CC..Hα-helixtrans-68.6-46.5-177.5175.965.3000113.3F190 V194 L197 H296 H297 L298 L302 E303 A304 P368F190-W300 HydrophobicContact CD2-CD2 4.01Å; F190-W300 AromaticContact CD2-CE3 3.61Å; F190-W300 HydrophobicContact CD2-CE3 3.61Å; F190-W300 HydrophobicContact CD2-CG 4.48Å; F190-W300 HydrophobicContact CD2-CZ3 4.17Å; F190-W300 HydrophobicContact CE2-CB 4.14Å; F190-W300 AromaticContact CE2-CD2 3.61Å; F190-W300 HydrophobicContact CE2-CD2 3.61Å; F190-W300 AromaticContact CE2-CE3 3.74Å; F190-W300 HydrophobicContact CE2-CE3 3.74Å; F190-W300 AromaticContact CE2-CG 3.78Å; F190-W300 HydrophobicContact CE2-CG 3.78Å; F190-W300 HydrophobicContact CE2-CZ3 4.49Å; V194-W300 HydrophobicContact CG2-CH2 4.23Å; V194-W300 HydrophobicContact CG2-CZ2 3.96Å; L197-W300 HydrophobicContact CD1-CZ2 4.48Å; L197-W300 HydrophobicContact CD2-CZ2 4.46Å; H296-W300 PolarHBondContact O-N 3.11Å; H297-W300 AromaticContact CD2-CE3 3.95Å; H297-W300 WeakPolarHBondContact O-CB 3.39Å; H297-W300 PolarHBondContact O-N 2.87Å; H297-W300 VanDerWaalsContact O-N 3.11Å; L298-W300 PolarHBondContact O-N 3.44Å; W300-L302 PolarHBondContact O-N 3.38Å; W300-E303 WeakPolarHBondContact O-CB 3.23Å; W300-E303 PolarHBondContact O-N 3.01Å; W300-A304 HydrophobicContact CH2-CB 4.18Å; W300-A304 HydrophobicContact CZ2-CB 3.88Å; W300-A304 WeakPolarHBondContact O-CB 3.4Å; W300-A304 PolarHBondContact O-N 3.43Å; W300-P368 HydrophobicContact CD2-CG 4.42Å; W300-P368 HydrophobicContact CG-CG 3.99Å; W300-P368 HydrophobicContact CZ2-CB 4.27Å
301L83.5Confident83Confident16 Ų1644.3 Ų44.38%0.08421%0.208CC..Hα-helixtrans-57.3-38.1178.8-74.8166.7000110.7L262 L266 H297 L298 A304 E305L262-L301 HydrophobicContact CD1-CD1 3.83Å; L262-L301 HydrophobicContact CD2-CD1 4.11Å; L266-L301 HydrophobicContact CD2-CB 3.94Å; L266-L301 WeakPolarHBondContact CD2-O 3.41Å; H297-L301 WeakPolarHBondContact NE2-CD1 3.32Å; H297-L301 PolarHBondContact O-N 3.32Å; L298-L301 HydrophobicContact CD2-CD1 4.39Å; L298-L301 PolarHBondContact O-N 2.93Å; L301-A304 PolarHBondContact O-N 3.29Å; L301-E305 WeakPolarHBondContact O-CB 3.45Å; L301-E305 PolarHBondContact O-N 3.14Å
302L88.4Confident83.8Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-68.3-39.2176.2-176.758000112.6F265 L266 Y276 L279 Q280 L283 L298 I299 W300 A306F265-L302 HydrophobicContact CE1-CB 4.38Å; L266-L302 HydrophobicContact CD2-CB 4.32Å; L266-L302 HydrophobicContact CD2-CD1 4.47Å; Y276-L302 HydrophobicContact CD2-CD1 4.1Å; Y276-L302 HydrophobicContact CD2-CD2 4.17Å; Y276-L302 HydrophobicContact CD2-CG 3.89Å; Y276-L302 HydrophobicContact CE2-CD1 4.31Å; Y276-L302 HydrophobicContact CE2-CD2 4.24Å; Y276-L302 HydrophobicContact CE2-CG 3.73Å; L279-L302 HydrophobicContact CB-CD2 3.76Å; L279-L302 HydrophobicContact CD1-CD2 4.27Å; Q280-L302 HydrophobicContact CG-CD2 4.1Å; L283-L302 HydrophobicContact CD1-CD2 4.3Å; L298-L302 WeakPolarHBondContact O-CB 3.45Å; L298-L302 PolarHBondContact O-N 3.15Å; L298-L302 VanDerWaalsContact O-N 3.08Å; I299-L302 PolarHBondContact O-N 3.21Å; W300-L302 PolarHBondContact O-N 3.38Å; L302-A306 WeakPolarHBondContact O-CB 3.29Å; L302-A306 PolarHBondContact O-N 2.97Å
303E86.7Confident84.4Confident19 Ų1937.5 Ų37.59%0.08918%0.181CC..Hα-helixtrans-65.1-43.4173.1-74.2178.3158.300112.6Y276 I299 W300 A306 S307 T317Y276-E303 WeakPolarHBondContact OH-CG 3.48Å; I299-E303 WeakPolarHBondContact O-CG 3.44Å; I299-E303 PolarHBondContact O-N 3.32Å; I299-E303 VanDerWaalsContact O-N 3.07Å; W300-E303 WeakPolarHBondContact O-CB 3.23Å; W300-E303 PolarHBondContact O-N 3.01Å; E303-A306 PolarHBondContact O-N 3.32Å; E303-S307 WeakPolarHBondContact O-CB 3.36Å; E303-S307 PolarHBondContact O-N 3.09Å; E303-S307 PolarHBondContact O-OG 3.46Å; E303-T317 VanDerWaalsContact CD-OG1 3.3Å; E303-T317 WeakPolarHBondContact OE1-CB 3.3Å; E303-T317 WeakPolarHBondContact OE1-CG2 3.47Å; E303-T317 PolarHBondContact OE1-OG1 3.47Å
304A80.4Confident85Confident10 Ų1032.1 Ų32.18%0.08316%0.157CC..Hα-helixtrans-62.9-45.417800000110.6W300 L301 S307 R308W300-A304 HydrophobicContact CH2-CB 4.18Å; W300-A304 HydrophobicContact CZ2-CB 3.88Å; W300-A304 WeakPolarHBondContact O-CB 3.4Å; W300-A304 PolarHBondContact O-N 3.43Å; L301-A304 PolarHBondContact O-N 3.29Å; A304-S307 PolarHBondContact O-N 2.95Å; A304-R308 WeakPolarHBondContact O-CB 3.5Å; A304-R308 PolarHBondContact O-N 3.17Å
305E81.5Confident85.6Confident22 Ų2239.4 Ų39.410%0.10318%0.184CC..Hα-helixtrans-62.4-43.2175.8178.866.2-17300112.1L266 C270 L301 S307 R308 R309L266-E305 HydrophobicContact CB-CB 4.47Å; L266-E305 HydrophobicContact CB-CG 4.08Å; L266-E305 HydrophobicContact CD2-CB 4.07Å; C270-E305 HydrophobicContact CB-CG 4.36Å; L301-E305 WeakPolarHBondContact O-CB 3.45Å; L301-E305 PolarHBondContact O-N 3.14Å; E305-S307 VanDerWaalsContact C-N 3.33Å; E305-S307 PolarHBondContact O-N 3.16Å; E305-R308 VanDerWaalsContact CD-NH2 3.3Å; E305-R308 WeakPolarHBondContact O-CB 3.42Å; E305-R308 PolarHBondContact O-N 3.02Å; E305-R308 IonicContact OE1-CZ 2.84Å; E305-R308 IonicContact OE1-NE 3.28Å; E305-R308 IonicContact OE1-NH2 3.76Å; E305-R308 PolarHBondContact OE1-NH2 2.58Å; E305-R308 IonicContact OE2-CZ 3.24Å; E305-R308 IonicContact OE2-NE 3.39Å; E305-R308 PolarHBondContact OE2-NE 2.67Å; E305-R308 IonicContact OE2-NH2 2.76Å; E305-R308 PolarHBondContact OE2-NH2 3.36Å; E305-R309 WeakPolarHBondContact O-CG 3.43Å; E305-R309 PolarHBondContact O-N 3.08Å; E305-R309 IonicContact OE1-CZ 3.56Å; E305-R309 VanDerWaalsContact OE1-CZ 3.24Å; E305-R309 IonicContact OE1-NE 2.72Å; E305-R309 PolarHBondContact OE1-NE 3.31Å; E305-R309 IonicContact OE1-NH2 3.69Å; E305-R309 PolarHBondContact OE1-NH2 3.45Å
306A88Confident85.8Confident0 Ų043.2 Ų43.20%020%0.199CC..Hα-helixtrans-61.5-43.8176.300000111.5Y276 L302 E303 R309 G310 R311 V313Y276-A306 HydrophobicContact CD2-CB 4.37Å; Y276-A306 HydrophobicContact CE2-CB 3.87Å; L302-A306 WeakPolarHBondContact O-CB 3.29Å; L302-A306 PolarHBondContact O-N 2.97Å; E303-A306 PolarHBondContact O-N 3.32Å; A306-R309 CarbonylContact O-C 3.57Å; A306-R309 PolarHBondContact O-N 2.96Å; A306-G310 PolarHBondContact O-N 3.06Å; A306-R311 HydrophobicContact CB-CB 4.47Å; A306-R311 WeakPolarHBondContact O-CB 3.06Å; A306-R311 PolarHBondContact O-N 2.54Å; A306-V313 HydrophobicContact CB-CG1 3.68Å; A306-V313 HydrophobicContact CB-CG2 4.3Å
307S83.4Confident86.1Confident20 Ų2039 Ų3914%0.1418%0.18CC..Hα-helixtrans-64.1-40.7177.4-59.60000111.9E303 A304 E305 R309 G310E303-S307 WeakPolarHBondContact O-CB 3.36Å; E303-S307 PolarHBondContact O-N 3.09Å; E303-S307 PolarHBondContact O-OG 3.46Å; A304-S307 PolarHBondContact O-N 2.95Å; E305-S307 VanDerWaalsContact C-N 3.33Å; E305-S307 PolarHBondContact O-N 3.16Å; S307-R309 VanDerWaalsContact C-N 3.3Å; S307-R309 PolarHBondContact O-N 3Å; S307-G310 WeakPolarHBondContact O-CA 3.32Å; S307-G310 PolarHBondContact O-N 3.32Å
308R78Confident86.6Confident114 Ų11438.6 Ų38.643%0.4318%0.178SC..Hα-helixtrans-60.8-39.2174.7-169.1-171.46877.7-1.7111.5S224 A304 E305 G310S224-R308 WeakPolarHBondContact O-CD 3.23Å; A304-R308 WeakPolarHBondContact O-CB 3.5Å; A304-R308 PolarHBondContact O-N 3.17Å; E305-R308 VanDerWaalsContact CD-NH2 3.3Å; E305-R308 WeakPolarHBondContact O-CB 3.42Å; E305-R308 PolarHBondContact O-N 3.02Å; E305-R308 IonicContact OE1-CZ 2.84Å; E305-R308 IonicContact OE1-NE 3.28Å; E305-R308 IonicContact OE1-NH2 3.76Å; E305-R308 PolarHBondContact OE1-NH2 2.58Å; E305-R308 IonicContact OE2-CZ 3.24Å; E305-R308 IonicContact OE2-NE 3.39Å; E305-R308 PolarHBondContact OE2-NE 2.67Å; E305-R308 IonicContact OE2-NH2 2.76Å; E305-R308 PolarHBondContact OE2-NH2 3.36Å; R308-G310 PolarHBondContact O-N 2.99Å
309R84.1Confident86.8Confident92 Ų9244.9 Ų44.935%0.34720%0.203SC..THydrogen-bonded Turntrans-75.15.5172.4-65.7177.5-173.7-146-1.2113.6E305 A306 S307 R311E305-R309 WeakPolarHBondContact O-CG 3.43Å; E305-R309 PolarHBondContact O-N 3.08Å; E305-R309 IonicContact OE1-CZ 3.56Å; E305-R309 VanDerWaalsContact OE1-CZ 3.24Å; E305-R309 IonicContact OE1-NE 2.72Å; E305-R309 PolarHBondContact OE1-NE 3.31Å; E305-R309 IonicContact OE1-NH2 3.69Å; E305-R309 PolarHBondContact OE1-NH2 3.45Å; A306-R309 CarbonylContact O-C 3.57Å; A306-R309 PolarHBondContact O-N 2.96Å; S307-R309 VanDerWaalsContact C-N 3.3Å; S307-R309 PolarHBondContact O-N 3Å; R309-R311 VanDerWaalsContact C-N 3.29Å; R309-R311 HydrophobicContact CB-CG 4.35Å; R309-R311 PolarHBondContact O-N 2.75Å
310G82.9Confident86.7Confident44 Ų4446.2 Ų46.245%0.45421%0.21SC..THydrogen-bonded Turntrans71.219.3178.600000115A306 S307 R308A306-G310 PolarHBondContact O-N 3.06Å; S307-G310 WeakPolarHBondContact O-CA 3.32Å; S307-G310 PolarHBondContact O-N 3.32Å; R308-G310 PolarHBondContact O-N 2.99Å
311R88.1Confident86.9Confident102 Ų10246.5 Ų46.539%0.38521%0.213SC..  trans-89.2127.3177-56.7-175.2179.4-162.52.4109.7C270 H271 A306 R309 V313C270-R311 PolarHBondContact O-NH1 2.92Å; C270-R311 PolarHBondContact O-NH2 3.28Å; H271-R311 PolarHBondContact O-NH1 3.45Å; H271-R311 PolarHBondContact O-NH2 2.67Å; A306-R311 HydrophobicContact CB-CB 4.47Å; A306-R311 WeakPolarHBondContact O-CB 3.06Å; A306-R311 PolarHBondContact O-N 2.54Å; R309-R311 VanDerWaalsContact C-N 3.29Å; R309-R311 HydrophobicContact CB-CG 4.35Å; R309-R311 PolarHBondContact O-N 2.75Å; R311-V313 PolarHBondContact O-N 3.33Å
312D89.8Confident86.9Confident83 Ų8348.2 Ų48.244%0.44424%0.235SC..  trans-79.4104.7175.6177.716.6000110.4S314D312-S314 WeakPolarHBondContact OD1-CB 3.43Å; D312-S314 PolarHBondContact OD1-N 3.07Å; D312-S314 PolarHBondContact OD1-OG 3.39Å
313V90.7Very high86.8Confident11 Ų1148.2 Ų48.27%0.06724%0.235CC..  trans-104.72.5176.4-62.40000112.9Y276 A306 R311 R315 Y316 T317Y276-V313 HydrophobicContact CD1-CG1 4.38Å; Y276-V313 HydrophobicContact CE1-CB 4.04Å; Y276-V313 HydrophobicContact CE1-CG1 3.74Å; Y276-V313 HydrophobicContact CE2-CG1 3.97Å; Y276-V313 WeakPolarHBondContact OH-CB 3.18Å; A306-V313 HydrophobicContact CB-CG1 3.68Å; A306-V313 HydrophobicContact CB-CG2 4.3Å; R311-V313 PolarHBondContact O-N 3.33Å; V313-R315 PolarHBondContact O-N 3.4Å; V313-R315 VanDerWaalsContact O-N 3.08Å; V313-Y316 PolarHBondContact O-N 3.19Å; V313-T317 PolarHBondContact O-N 2.76Å; V313-T317 PolarHBondContact O-OG1 3.35Å
314S91.7Very high86.9Confident5 Ų556.1 Ų56.14%0.03526%0.264CS..Hα-helixtrans-52.8-38.2-171.861.80000113.3D312 Y316 T317 T318D312-S314 WeakPolarHBondContact OD1-CB 3.43Å; D312-S314 PolarHBondContact OD1-N 3.07Å; D312-S314 PolarHBondContact OD1-OG 3.39Å; S314-Y316 VanDerWaalsContact C-N 3.34Å; S314-Y316 PolarHBondContact O-N 2.93Å; S314-T317 PolarHBondContact O-N 3.39Å; S314-T318 PolarHBondContact O-N 2.85Å; S314-T318 PolarHBondContact O-OG1 3.42Å
315R91.3Very high87.3Confident154 Ų15462.4 Ų62.458%0.58130%0.296SS*.Hα-helixtrans-59.2-43.8177.8-177.4-176.3-179.8-175.70.5112.3V313 T318 Y319V313-R315 PolarHBondContact O-N 3.4Å; V313-R315 VanDerWaalsContact O-N 3.08Å; R315-T318 PolarHBondContact O-OG1 3.18Å; R315-Y319 VanDerWaalsContact O-CB 3.32Å; R315-Y319 WeakPolarHBondContact O-CB 3.24Å; R315-Y319 PolarHBondContact O-N 2.78Å
316Y90.4Very high87.9Confident79 Ų7964.5 Ų64.531%0.3130%0.303SS..Hα-helixtrans-78.2-39.4-178-56.5-63000110.4Y276 L277 V313 S314 T318 Y319 L320Y276-Y316 HydrophobicContact CE1-CD2 4.41Å; L277-Y316 HydrophobicContact CD1-CE1 4.34Å; L277-Y316 HydrophobicContact CD2-CD1 3.5Å; L277-Y316 HydrophobicContact CD2-CD2 3.88Å; L277-Y316 HydrophobicContact CD2-CE1 3.58Å; L277-Y316 HydrophobicContact CD2-CE2 3.94Å; L277-Y316 HydrophobicContact CD2-CG 3.65Å; V313-Y316 PolarHBondContact O-N 3.19Å; S314-Y316 VanDerWaalsContact C-N 3.34Å; S314-Y316 PolarHBondContact O-N 2.93Å; Y316-T318 PolarHBondContact O-N 3.02Å; Y316-Y319 PolarHBondContact O-N 3.35Å; Y316-L320 WeakPolarHBondContact O-CB 3.39Å; Y316-L320 VanDerWaalsContact O-CG 3.23Å; Y316-L320 WeakPolarHBondContact O-CG 3.29Å; Y316-L320 PolarHBondContact O-N 3.38Å
317T89.9Confident88.3Confident7 Ų768 Ų684%0.04333%0.326CS..Hα-helixtrans-54.2-52.8174.9-63.70000111.7E303 V313 S314 Y319 L320 C321 L337E303-T317 VanDerWaalsContact CD-OG1 3.3Å; E303-T317 WeakPolarHBondContact OE1-CB 3.3Å; E303-T317 WeakPolarHBondContact OE1-CG2 3.47Å; E303-T317 PolarHBondContact OE1-OG1 3.47Å; V313-T317 PolarHBondContact O-N 2.76Å; V313-T317 PolarHBondContact O-OG1 3.35Å; S314-T317 PolarHBondContact O-N 3.39Å; T317-Y319 PolarHBondContact O-N 3.18Å; T317-L320 PolarHBondContact O-N 3.06Å; T317-C321 PolarHBondContact O-N 2.67Å; T317-C321 PolarHBondContact O-SG 2.83Å; T317-L337 HydrophobicContact CG2-CD1 3.89Å
318T92Very high88.9Confident4 Ų472.7 Ų72.73%0.02535%0.35CS..Hα-helixtrans-68.3-35.3179.359.50000112.7S314 R315 Y316 L320 C321 M333 R334 L337 L364S314-T318 PolarHBondContact O-N 2.85Å; S314-T318 PolarHBondContact O-OG1 3.42Å; R315-T318 PolarHBondContact O-OG1 3.18Å; Y316-T318 PolarHBondContact O-N 3.02Å; T318-L320 VanDerWaalsContact C-N 3.34Å; T318-L320 PolarHBondContact O-N 3.23Å; T318-C321 WeakPolarHBondContact O-CB 3.33Å; T318-C321 PolarHBondContact O-N 3.47Å; T318-M333 HydrophobicContact CG2-CB 4.08Å; T318-M333 HydrophobicContact CG2-CG 3.9Å; T318-R334 HydrophobicContact CG2-CB 4.03Å; T318-L337 HydrophobicContact CG2-CD1 4.07Å; T318-L364 HydrophobicContact CG2-CD1 4.07Å
319Y89.8Confident89.7Confident137 Ų13767.7 Ų67.754%0.53733%0.332SS..Hα-helixtrans-63.9-37.9176.5-175.8-96.6000112.8R315 Y316 T317 C321 M330R315-Y319 VanDerWaalsContact O-CB 3.32Å; R315-Y319 WeakPolarHBondContact O-CB 3.24Å; R315-Y319 PolarHBondContact O-N 2.78Å; Y316-Y319 PolarHBondContact O-N 3.35Å; T317-Y319 PolarHBondContact O-N 3.18Å; Y319-C321 VanDerWaalsContact C-N 3.29Å; Y319-C321 PolarHBondContact O-N 3.48Å; Y319-M330 HydrophobicContact CD2-CE 4.43Å
320L88.2Confident90.3Very high40 Ų4064.5 Ų64.521%0.20932%0.322CS..Hα-helixtrans-82-2.4-177.9-65.8173.3000113.8Q280 Q284 Y316 T317 T318 G322Q280-L320 HydrophobicContact CB-CD1 4.02Å; Q284-L320 HydrophobicContact CG-CB 4.45Å; Q284-L320 HydrophobicContact CG-CD1 4.17Å; Q284-L320 HydrophobicContact CG-CD2 4.2Å; Y316-L320 WeakPolarHBondContact O-CB 3.39Å; Y316-L320 VanDerWaalsContact O-CG 3.23Å; Y316-L320 WeakPolarHBondContact O-CG 3.29Å; Y316-L320 PolarHBondContact O-N 3.38Å; T317-L320 PolarHBondContact O-N 3.06Å; T318-L320 VanDerWaalsContact C-N 3.34Å; T318-L320 PolarHBondContact O-N 3.23Å; L320-G322 PolarHBondContact O-N 3.24Å
321C86.8Confident91Very high17 Ų1766.5 Ų66.512%0.11532%0.322CS..THydrogen-bonded Turntrans-75.4-1.9175.8-68.90000114.7T317 T318 Y319 A323 A363 L364 Q367T317-C321 PolarHBondContact O-N 2.67Å; T317-C321 PolarHBondContact O-SG 2.83Å; T318-C321 WeakPolarHBondContact O-CB 3.33Å; T318-C321 PolarHBondContact O-N 3.47Å; Y319-C321 VanDerWaalsContact C-N 3.29Å; Y319-C321 PolarHBondContact O-N 3.48Å; C321-A323 HydrophobicContact CB-CB 4.48Å; C321-A323 PolarHBondContact O-N 3.42Å; C321-A363 HydrophobicContact CB-CB 4.46Å; C321-L364 HydrophobicContact CB-CB 4.31Å; C321-L364 HydrophobicContact CB-CD1 4.25Å; C321-Q367 PolarHBondContact SG-NE2 3.04Å
322G82.4Confident91.4Very high52 Ų5261.7 Ų61.754%0.53630%0.304SS..THydrogen-bonded Turntrans72.99.9-174.700000114.2L320 R324L320-G322 PolarHBondContact O-N 3.24Å; G322-R324 PolarHBondContact O-N 3.35Å
323A87.6Confident91.8Very high0 Ų057.8 Ų57.80%028%0.283CS..  trans-85.623.5-176.200000114C321 D325 Y326 M330 P361 L364C321-A323 HydrophobicContact CB-CB 4.48Å; C321-A323 PolarHBondContact O-N 3.42Å; A323-D325 PolarHBondContact O-N 3.48Å; A323-D325 VanDerWaalsContact O-N 3.08Å; A323-Y326 WeakPolarHBondContact O-CA 3.48Å; A323-Y326 WeakPolarHBondContact O-CB 3.3Å; A323-Y326 PolarHBondContact O-N 2.91Å; A323-M330 HydrophobicContact CB-CG 3.76Å; A323-M330 HydrophobicContact CB-SD 4.18Å; A323-P361 HydrophobicContact CB-CG 4.22Å; A323-L364 HydrophobicContact CB-CB 4.48Å; A323-L364 HydrophobicContact CB-CD2 4.13Å
324R87.9Confident92Very high186 Ų18661.4 Ų61.470%0.70230%0.296SS*.THydrogen-bonded Turntrans-54.8-33.4-170.9-177179.8179.2-174.70.5114.2G322 Y326G322-R324 PolarHBondContact O-N 3.35Å; R324-Y326 PolarHBondContact O-N 3.06Å
325D89.9Confident92.2Very high141 Ų14165.1 Ų65.175%0.75431%0.314SS*.THydrogen-bonded Turntrans-79.9-0.6179.9-60.5-31.7000113.2A323 P327A323-D325 PolarHBondContact O-N 3.48Å; A323-D325 VanDerWaalsContact O-N 3.08Å; D325-P327 VanDerWaalsContact C-CD 3.44Å; D325-P327 WeakPolarHBondContact O-CD 3.22Å
326Y93.7Very high92.5Very high66 Ų6657.8 Ų57.826%0.25929%0.286SS..  trans-124.363.2-176.4-56.6-88.7000111.4A323 R324 D328 S329 M330 A358 P359 P360A323-Y326 WeakPolarHBondContact O-CA 3.48Å; A323-Y326 WeakPolarHBondContact O-CB 3.3Å; A323-Y326 PolarHBondContact O-N 2.91Å; R324-Y326 PolarHBondContact O-N 3.06Å; Y326-D328 PolarHBondContact O-N 3.45Å; Y326-S329 PolarHBondContact O-N 3.21Å; Y326-M330 WeakPolarHBondContact O-CG 3.27Å; Y326-M330 PolarHBondContact O-N 2.95Å; Y326-A358 VanDerWaalsContact CE1-O 3.3Å; Y326-A358 WeakPolarHBondContact CE1-O 3.34Å; Y326-P359 PolarHBondContact OH-O 3.36Å; Y326-P360 HydrophobicContact CD1-CB 4.05Å; Y326-P360 HydrophobicContact CD1-CG 3.79Å; Y326-P360 HydrophobicContact CD2-CB 4.02Å; Y326-P360 HydrophobicContact CE1-CG 4.44Å; Y326-P360 HydrophobicContact CG-CB 3.73Å; Y326-P360 HydrophobicContact CG-CG 3.91Å
327P94.8Very high92.6Very high73 Ų7354.5 Ų54.547%0.47427%0.274SS..Hα-helixtrans-60.2-40.4-173.224.5-34.4000113.3D325 S329 M330 D331D325-P327 VanDerWaalsContact C-CD 3.44Å; D325-P327 WeakPolarHBondContact O-CD 3.22Å; P327-S329 PolarHBondContact O-N 3.23Å; P327-M330 WeakPolarHBondContact O-CB 3.38Å; P327-M330 PolarHBondContact O-N 3.03Å; P327-D331 PolarHBondContact O-N 2.84Å
328D96.1Very high92.7Very high120 Ų12059.4 Ų59.464%0.64230%0.295SS*.Hα-helixtrans-64.1-43.1-178.8-58.7-36.5000111.5Y326 M330 D331 A332Y326-D328 PolarHBondContact O-N 3.45Å; D328-M330 VanDerWaalsContact C-N 3.35Å; D328-D331 PolarHBondContact O-N 2.96Å; D328-A332 WeakPolarHBondContact O-CB 3.44Å; D328-A332 PolarHBondContact O-N 3.4Å
329S96.6Very high92.7Very high9 Ų963 Ų636%0.06331%0.311CS..Hα-helixtrans-66.5-37.3175.4-51.50000112Y326 P327 M333 A353 P360Y326-S329 PolarHBondContact O-N 3.21Å; P327-S329 PolarHBondContact O-N 3.23Å; S329-M333 WeakPolarHBondContact O-CB 3.34Å; S329-M333 PolarHBondContact O-N 2.97Å; S329-A353 WeakPolarHBondContact OG-CB 3.44Å; S329-P360 VanDerWaalsContact OG-CG 3.29Å; S329-P360 WeakPolarHBondContact OG-CG 3.31Å
330M96.3Very high92.7Very high24 Ų2457.6 Ų57.612%0.11829%0.291CS..Hα-helixtrans-63.8-43.1174.9-73.5178.458.900111.9Y319 A323 Y326 P327 D328 R334Y319-M330 HydrophobicContact CD2-CE 4.43Å; A323-M330 HydrophobicContact CB-CG 3.76Å; A323-M330 HydrophobicContact CB-SD 4.18Å; Y326-M330 WeakPolarHBondContact O-CG 3.27Å; Y326-M330 PolarHBondContact O-N 2.95Å; P327-M330 WeakPolarHBondContact O-CB 3.38Å; P327-M330 PolarHBondContact O-N 3.03Å; D328-M330 VanDerWaalsContact C-N 3.35Å; M330-R334 VanDerWaalsContact O-CB 3.22Å; M330-R334 WeakPolarHBondContact O-CB 3.08Å; M330-R334 PolarHBondContact O-N 3.22Å
331D96.7Very high93Very high87 Ų8759.8 Ų59.847%0.46530%0.303SS..Hα-helixtrans-68.3-41.7178.6-79.3-24.3000111.3P327 D328 R334 I335P327-D331 PolarHBondContact O-N 2.84Å; D328-D331 PolarHBondContact O-N 2.96Å; D331-R334 PolarHBondContact O-N 2.78Å; D331-I335 VanDerWaalsContact O-CG1 3.31Å; D331-I335 WeakPolarHBondContact O-CG1 3.45Å; D331-I335 PolarHBondContact O-N 3.04Å
332A97.5Very high93.4Very high1 Ų159.7 Ų59.71%0.00830%0.301CS..Hα-helixtrans-57.7-50.5173.400000112.1D328 R334 I335 I336 A346 Q349 L350D328-A332 WeakPolarHBondContact O-CB 3.44Å; D328-A332 PolarHBondContact O-N 3.4Å; A332-R334 VanDerWaalsContact C-N 3.34Å; A332-R334 PolarHBondContact O-N 3.36Å; A332-I335 PolarHBondContact O-N 2.94Å; A332-I336 PolarHBondContact O-N 3.37Å; A332-A346 HydrophobicContact CB-CB 4.02Å; A332-Q349 HydrophobicContact CB-CB 4.28Å; A332-L350 HydrophobicContact CB-CD2 4.26Å; A332-L350 HydrophobicContact CB-CG 4.09Å
333M97.7Very high94Very high0 Ų059.6 Ų59.60%029%0.288CS..Hα-helixtrans-63.4-40.3177.1-177.853.571.600111.6T318 S329 I335 I336 L337 L350 L364 L365 Q367 F370T318-M333 HydrophobicContact CG2-CB 4.08Å; T318-M333 HydrophobicContact CG2-CG 3.9Å; S329-M333 WeakPolarHBondContact O-CB 3.34Å; S329-M333 PolarHBondContact O-N 2.97Å; M333-I335 VanDerWaalsContact C-N 3.34Å; M333-I335 PolarHBondContact O-N 3.11Å; M333-I336 PolarHBondContact O-N 3.46Å; M333-L337 HydrophobicContact CG-CD1 3.97Å; M333-L337 HydrophobicContact CG-CG 4.19Å; M333-L337 VanDerWaalsContact O-CG 3.32Å; M333-L337 WeakPolarHBondContact O-CG 3.31Å; M333-L337 PolarHBondContact O-N 3.37Å; M333-L337 HydrophobicContact SD-CD1 4.26Å; M333-L337 HydrophobicContact SD-CD2 4.2Å; M333-L337 HydrophobicContact SD-CG 3.93Å; M333-L350 HydrophobicContact CE-CD1 3.71Å; M333-L364 HydrophobicContact CB-CD1 3.8Å; M333-L364 HydrophobicContact CB-CD2 4.49Å; M333-L364 HydrophobicContact CB-CG 4.08Å; M333-L364 WeakPolarHBondContact CE-O 3.37Å; M333-L364 HydrophobicContact CG-CD1 3.74Å; M333-L364 HydrophobicContact CG-CG 4.14Å; M333-L365 HydrophobicContact CE-CD2 4.04Å; M333-Q367 HydrophobicContact CG-CG 4.35Å; M333-Q367 HydrophobicContact SD-CB 4.41Å; M333-Q367 HydrophobicContact SD-CG 4.31Å; M333-F370 HydrophobicContact CE-CB 4.15Å; M333-F370 HydrophobicContact CE-CD1 3.48Å; M333-F370 VanDerWaalsContact CE-CD1 3.48Å; M333-F370 HydrophobicContact CE-CD2 4.09Å; M333-F370 HydrophobicContact CE-CE1 3.79Å; M333-F370 HydrophobicContact CE-CE2 4.35Å; M333-F370 HydrophobicContact CE-CG 3.62Å; M333-F370 HydrophobicContact CE-CZ 4.2Å; M333-F370 HydrophobicContact SD-CB 4Å; M333-F370 HydrophobicContact SD-CD1 4.42Å; M333-F370 HydrophobicContact SD-CD2 4.32Å; M333-F370 HydrophobicContact SD-CG 4Å
334R95.8Very high94.3Very high88 Ų8862.9 Ų62.933%0.33231%0.309SS..Hα-helixtrans-60.6-42.9178.8-177.9-176.1172.1-151.5-4.4111.8T318 M330 D331 A332 L337 K338T318-R334 HydrophobicContact CG2-CB 4.03Å; M330-R334 VanDerWaalsContact O-CB 3.22Å; M330-R334 WeakPolarHBondContact O-CB 3.08Å; M330-R334 PolarHBondContact O-N 3.22Å; D331-R334 PolarHBondContact O-N 2.78Å; A332-R334 VanDerWaalsContact C-N 3.34Å; A332-R334 PolarHBondContact O-N 3.36Å; R334-L337 PolarHBondContact O-N 3.09Å; R334-K338 WeakPolarHBondContact O-CB 3.32Å; R334-K338 PolarHBondContact O-N 3.09Å
335I95.8Very high94.7Very high82 Ų8259.6 Ų59.642%0.42131%0.306SS..Hα-helixtrans-59.7-48.2176.8-68.9164.3000110D331 A332 M333 L337 K338 E339 I343D331-I335 VanDerWaalsContact O-CG1 3.31Å; D331-I335 WeakPolarHBondContact O-CG1 3.45Å; D331-I335 PolarHBondContact O-N 3.04Å; A332-I335 PolarHBondContact O-N 2.94Å; M333-I335 VanDerWaalsContact C-N 3.34Å; M333-I335 PolarHBondContact O-N 3.11Å; I335-L337 PolarHBondContact O-N 3.41Å; I335-K338 PolarHBondContact O-N 3Å; I335-E339 HydrophobicContact CG2-CG 4.45Å; I335-E339 WeakPolarHBondContact O-CB 3.42Å; I335-E339 WeakPolarHBondContact O-CG 3.25Å; I335-E339 PolarHBondContact O-N 3.34Å; I335-I343 HydrophobicContact CG2-CG1 4.03Å
336I96Very high95.1Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-59.4-46.2178.3-69.2162.3000111.6A332 M333 Q340 D341 A346 V347 L350 F370 L373A332-I336 PolarHBondContact O-N 3.37Å; M333-I336 PolarHBondContact O-N 3.46Å; I336-Q340 WeakPolarHBondContact O-CA 3.38Å; I336-Q340 PolarHBondContact O-N 3.5Å; I336-D341 WeakPolarHBondContact CG2-O 3.41Å; I336-D341 PolarHBondContact O-N 3.45Å; I336-A346 HydrophobicContact CD1-CB 3.78Å; I336-A346 HydrophobicContact CG1-CB 3.88Å; I336-V347 HydrophobicContact CD1-CG2 3.95Å; I336-L350 HydrophobicContact CD1-CD1 3.75Å; I336-F370 HydrophobicContact CD1-CE2 4.09Å; I336-F370 HydrophobicContact CG2-CD2 3.71Å; I336-F370 HydrophobicContact CG2-CE2 4.27Å; I336-L373 HydrophobicContact CG2-CD1 3.99Å
337L93.3Very high95.3Very high11 Ų1150 Ų506%0.05826%0.26CS..Hα-helixtrans-68.1-37-179.7-66.8178.6000113T317 T318 M333 R334 I335 Q340 Q367 I369 F370T317-L337 HydrophobicContact CG2-CD1 3.89Å; T318-L337 HydrophobicContact CG2-CD1 4.07Å; M333-L337 HydrophobicContact CG-CD1 3.97Å; M333-L337 HydrophobicContact CG-CG 4.19Å; M333-L337 VanDerWaalsContact O-CG 3.32Å; M333-L337 WeakPolarHBondContact O-CG 3.31Å; M333-L337 PolarHBondContact O-N 3.37Å; M333-L337 HydrophobicContact SD-CD1 4.26Å; M333-L337 HydrophobicContact SD-CD2 4.2Å; M333-L337 HydrophobicContact SD-CG 3.93Å; R334-L337 PolarHBondContact O-N 3.09Å; I335-L337 PolarHBondContact O-N 3.41Å; L337-Q340 VanDerWaalsContact O-CG 3.27Å; L337-Q340 WeakPolarHBondContact O-CG 3.45Å; L337-Q367 HydrophobicContact CD1-CB 4.4Å; L337-Q367 HydrophobicContact CD1-CG 4.19Å; L337-Q367 HydrophobicContact CD2-CB 3.96Å; L337-I369 HydrophobicContact CD2-CB 3.86Å; L337-I369 HydrophobicContact CD2-CG2 4.16Å; L337-F370 HydrophobicContact CD2-CB 4.47Å
338K91.6Very high95.4Very high109 Ų10949.6 Ų49.647%0.47425%0.253SS..Hα-helixtrans-69-48.4179.5-179.1-175.3172.9-129.60111.5R334 I335 Q340R334-K338 WeakPolarHBondContact O-CB 3.32Å; R334-K338 PolarHBondContact O-N 3.09Å; I335-K338 PolarHBondContact O-N 3Å; K338-Q340 VanDerWaalsContact C-N 3.29Å
339E91.8Very high95.4Very high79 Ų7948.4 Ų48.437%0.36924%0.244SC..Hα-helixtrans-79.8-15.7-179.5-58-55.314100112.2I335 D341I335-E339 HydrophobicContact CG2-CG 4.45Å; I335-E339 WeakPolarHBondContact O-CB 3.42Å; I335-E339 WeakPolarHBondContact O-CG 3.25Å; I335-E339 PolarHBondContact O-N 3.34Å; E339-D341 PolarHBondContact O-N 3.15Å
340Q90.9Very high95.5Very high24 Ų2448 Ų4811%0.11224%0.241CC..THydrogen-bonded Turntrans52.742.4-174.2-59-166.116.300112.5P199 K200 I336 L337 K338 I369 L373P199-Q340 HydrophobicContact CB-CB 4.23Å; K200-Q340 HydrophobicContact CB-CB 4.32Å; I336-Q340 WeakPolarHBondContact O-CA 3.38Å; I336-Q340 PolarHBondContact O-N 3.5Å; L337-Q340 VanDerWaalsContact O-CG 3.27Å; L337-Q340 WeakPolarHBondContact O-CG 3.45Å; K338-Q340 VanDerWaalsContact C-N 3.29Å; Q340-I369 HydrophobicContact CG-CG2 4.27Å; Q340-L373 WeakPolarHBondContact O-CD2 3.47Å
341D93.4Very high95.6Very high86 Ų8647.5 Ų47.546%0.4624%0.238SC..SBendtrans-145.3152.2-179.6-165.714000111.6I336 E339 I343I336-D341 WeakPolarHBondContact CG2-O 3.41Å; I336-D341 PolarHBondContact O-N 3.45Å; E339-D341 PolarHBondContact O-N 3.15Å; D341-I343 HydrophobicContact CB-CD1 4.16Å; D341-I343 PolarHBondContact O-N 2.74Å
342L95.1Very high95.6Very high15 Ų1549.1 Ų49.18%0.07924%0.243CC..  trans-81.284.4178.1-65.9175.6000110.2P344 V347 F370 L373 L374 A377 Y393L342-P344 WeakPolarHBondContact O-CD 3.36Å; L342-V347 HydrophobicContact CB-CG2 4.28Å; L342-V347 HydrophobicContact CD2-CG2 4.24Å; L342-F370 HydrophobicContact CD2-CD2 3.96Å; L342-F370 HydrophobicContact CD2-CE2 3.68Å; L342-L373 HydrophobicContact CD1-CB 4.36Å; L342-L373 HydrophobicContact CD2-CB 3.81Å; L342-L373 HydrophobicContact CD2-CD1 4.42Å; L342-L373 HydrophobicContact CG-CB 3.91Å; L342-L374 HydrophobicContact CD1-CD2 4.16Å; L342-L374 HydrophobicContact CD2-CD2 3.96Å; L342-L374 HydrophobicContact CD2-CG 4.28Å; L342-A377 HydrophobicContact CD1-CB 3.59Å; L342-Y393 HydrophobicContact CD1-CD2 3.98Å; L342-Y393 HydrophobicContact CD1-CE2 3.67Å
343I95.4Very high95.6Very high51 Ų5150.3 Ų50.326%0.26225%0.253SS..  trans-69.8118.6178.6-52.8-53.4000110.2I335 D341 D345 A346 V347I335-I343 HydrophobicContact CG2-CG1 4.03Å; D341-I343 HydrophobicContact CB-CD1 4.16Å; D341-I343 PolarHBondContact O-N 2.74Å; I343-D345 PolarHBondContact O-N 3.44Å; I343-A346 HydrophobicContact CB-CB 4.08Å; I343-A346 HydrophobicContact CG2-CB 4.4Å; I343-A346 PolarHBondContact O-N 3.4Å; I343-A346 VanDerWaalsContact O-N 3.11Å; I343-V347 WeakPolarHBondContact O-CG2 3.22Å; I343-V347 PolarHBondContact O-N 2.82Å
344P94.8Very high95.5Very high69 Ų6950.3 Ų50.345%0.44825%0.253SS..Hα-helixtrans-54.4-45.8-171.3-29.836.1000114.8L342 A346 V347 L348L342-P344 WeakPolarHBondContact O-CD 3.36Å; P344-A346 PolarHBondContact O-N 2.98Å; P344-V347 PolarHBondContact O-N 3.34Å; P344-L348 WeakPolarHBondContact O-CB 3.3Å; P344-L348 PolarHBondContact O-N 3.11Å
345D96.2Very high95.5Very high117 Ų11751.3 Ų51.363%0.62626%0.259SS*.Hα-helixtrans-65-40.5-179.5-64.8-25.2000111.9I343 L348 Q349I343-D345 PolarHBondContact O-N 3.44Å; D345-L348 PolarHBondContact O-N 2.92Å; D345-Q349 VanDerWaalsContact O-CG 3.31Å; D345-Q349 WeakPolarHBondContact O-CG 3.43Å; D345-Q349 PolarHBondContact O-N 3.46Å
346A97.3Very high95.3Very high6 Ų648.7 Ų48.75%0.0525%0.253CS..Hα-helixtrans-68.7-39.4178.100000111.4A332 I336 I343 P344 Q349 L350A332-A346 HydrophobicContact CB-CB 4.02Å; I336-A346 HydrophobicContact CD1-CB 3.78Å; I336-A346 HydrophobicContact CG1-CB 3.88Å; I343-A346 HydrophobicContact CB-CB 4.08Å; I343-A346 HydrophobicContact CG2-CB 4.4Å; I343-A346 PolarHBondContact O-N 3.4Å; I343-A346 VanDerWaalsContact O-N 3.11Å; P344-A346 PolarHBondContact O-N 2.98Å; A346-Q349 PolarHBondContact O-N 2.86Å; A346-L350 WeakPolarHBondContact O-CG 3.35Å; A346-L350 PolarHBondContact O-N 3.5Å
347V97.8Very high95Very high0 Ų056.7 Ų56.70%030%0.296CS..Hα-helixtrans-65.9-41.4176.41760000111.2I336 L342 I343 P344 L350 E351 Y393 L396I336-V347 HydrophobicContact CD1-CG2 3.95Å; L342-V347 HydrophobicContact CB-CG2 4.28Å; L342-V347 HydrophobicContact CD2-CG2 4.24Å; I343-V347 WeakPolarHBondContact O-CG2 3.22Å; I343-V347 PolarHBondContact O-N 2.82Å; P344-V347 PolarHBondContact O-N 3.34Å; V347-L350 PolarHBondContact O-N 3.12Å; V347-E351 PolarHBondContact O-N 3.24Å; V347-Y393 HydrophobicContact CB-CE1 4.28Å; V347-Y393 HydrophobicContact CG1-CD1 3.77Å; V347-Y393 HydrophobicContact CG1-CE1 3.62Å; V347-Y393 HydrophobicContact CG2-CE1 4.31Å; V347-L396 HydrophobicContact CG1-CD1 3.71Å
348L97.1Very high94.8Very high64 Ų6459.5 Ų59.534%0.33532%0.32SS..Hα-helixtrans-60.2-47.1175.1177.663.8000111.4P344 D345 L350 E351 E352P344-L348 WeakPolarHBondContact O-CB 3.3Å; P344-L348 PolarHBondContact O-N 3.11Å; D345-L348 PolarHBondContact O-N 2.92Å; L348-L350 VanDerWaalsContact C-N 3.3Å; L348-L350 PolarHBondContact O-N 2.81Å; L348-E351 PolarHBondContact O-N 3.37Å; L348-E351 VanDerWaalsContact O-N 3.12Å; L348-E352 HydrophobicContact CD1-CG 4.28Å; L348-E352 WeakPolarHBondContact O-CG 3.39Å; L348-E352 PolarHBondContact O-N 3.34Å
349Q97.3Very high94.9Very high95 Ų9554.3 Ų54.344%0.44430%0.298SS..Hα-helixtrans-58.3-41.5176.9-74.5174.813.300112.4A332 D345 A346 A353A332-Q349 HydrophobicContact CB-CB 4.28Å; D345-Q349 VanDerWaalsContact O-CG 3.31Å; D345-Q349 WeakPolarHBondContact O-CG 3.43Å; D345-Q349 PolarHBondContact O-N 3.46Å; A346-Q349 PolarHBondContact O-N 2.86Å; Q349-A353 WeakPolarHBondContact O-CB 3.3Å; Q349-A353 PolarHBondContact O-N 2.71Å; Q349-A353 VanDerWaalsContact O-N 3.09Å
350L98Very high95Very high0 Ų050.6 Ų50.60%028%0.28CS..Hα-helixtrans-64.3-46.7174.2-69.1172.8000110.9A332 M333 I336 A346 V347 L348 E352 A353 Y354 L365 F370 L396A332-L350 HydrophobicContact CB-CD2 4.26Å; A332-L350 HydrophobicContact CB-CG 4.09Å; M333-L350 HydrophobicContact CE-CD1 3.71Å; I336-L350 HydrophobicContact CD1-CD1 3.75Å; A346-L350 WeakPolarHBondContact O-CG 3.35Å; A346-L350 PolarHBondContact O-N 3.5Å; V347-L350 PolarHBondContact O-N 3.12Å; L348-L350 VanDerWaalsContact C-N 3.3Å; L348-L350 PolarHBondContact O-N 2.81Å; L350-E352 PolarHBondContact O-N 3.12Å; L350-A353 PolarHBondContact O-N 3.14Å; L350-Y354 HydrophobicContact CD2-CE2 4.37Å; L350-Y354 VanDerWaalsContact O-CD2 3.22Å; L350-Y354 WeakPolarHBondContact O-CD2 3.15Å; L350-Y354 PolarHBondContact O-N 3.49Å; L350-L365 HydrophobicContact CD1-CD2 4.45Å; L350-F370 HydrophobicContact CD1-CZ 4.23Å; L350-L396 HydrophobicContact CB-CD1 4.26Å; L350-L396 HydrophobicContact CB-CD2 4.46Å
351E97.6Very high95.1Very high13 Ų1350.3 Ų50.36%0.06128%0.281CS..Hα-helixtrans-58.4-46180-160-154.5-15800112.4V347 L348 A353 Y354 K355 Q392 Y395 L396V347-E351 PolarHBondContact O-N 3.24Å; L348-E351 PolarHBondContact O-N 3.37Å; L348-E351 VanDerWaalsContact O-N 3.12Å; E351-A353 PolarHBondContact O-N 3.19Å; E351-Y354 PolarHBondContact O-N 3.26Å; E351-K355 VanDerWaalsContact CD-CE 3.42Å; E351-K355 HydrophobicContact CG-CD 4.26Å; E351-K355 WeakPolarHBondContact O-CB 3.44Å; E351-K355 WeakPolarHBondContact O-CG 3.28Å; E351-K355 PolarHBondContact O-N 3.11Å; E351-K355 WeakPolarHBondContact OE1-CE 3.28Å; E351-K355 IonicContact OE1-NZ 2.74Å; E351-K355 PolarHBondContact OE1-NZ 3.28Å; E351-K355 IonicContact OE2-NZ 3.4Å; E351-K355 PolarHBondContact OE2-NZ 3.01Å; E351-Q392 VanDerWaalsContact CD-CG 3.42Å; E351-Q392 HydrophobicContact CG-CG 4.4Å; E351-Q392 WeakPolarHBondContact OE1-CA 3.27Å; E351-Q392 WeakPolarHBondContact OE1-CG 3.48Å; E351-Q392 WeakPolarHBondContact OE2-CG 3.3Å; E351-Y395 HydrophobicContact CG-CD1 3.83Å; E351-Y395 HydrophobicContact CG-CE1 4.39Å; E351-L396 HydrophobicContact CB-CD1 4.44Å
352E97.5Very high95.1Very high122 Ų12246.4 Ų46.457%0.5726%0.26SS*.Hα-helixtrans-61.2-43.9176.6-70.7-179.4165.800111.7L348 L350 Y354 K355 G356L348-E352 HydrophobicContact CD1-CG 4.28Å; L348-E352 WeakPolarHBondContact O-CG 3.39Å; L348-E352 PolarHBondContact O-N 3.34Å; L350-E352 PolarHBondContact O-N 3.12Å; E352-Y354 PolarHBondContact O-N 3.26Å; E352-K355 PolarHBondContact O-N 3.2Å; E352-G356 PolarHBondContact O-N 2.95Å; E352-G356 VanDerWaalsContact O-N 3.15Å
353A96.6Very high94.8Very high25 Ų2547.7 Ų47.721%0.20727%0.273CS..Hα-helixtrans-62.8-41.1178.400000112.5S329 Q349 L350 E351 G356 P359 P360S329-A353 WeakPolarHBondContact OG-CB 3.44Å; Q349-A353 WeakPolarHBondContact O-CB 3.3Å; Q349-A353 PolarHBondContact O-N 2.71Å; Q349-A353 VanDerWaalsContact O-N 3.09Å; L350-A353 PolarHBondContact O-N 3.14Å; E351-A353 PolarHBondContact O-N 3.19Å; A353-G356 PolarHBondContact O-N 3.19Å; A353-P359 WeakPolarHBondContact O-CA 3.36Å; A353-P360 HydrophobicContact CB-CG 4.09Å
354Y96.9Very high94.8Very high0 Ų045.2 Ų45.20%026%0.26CS..Hα-helixtrans-79.7-23.7-178.6-80.2-79000114.3L350 E351 E352 G356 P359 P360 P361 L364 L365 Y395 L396 Y399 R419L350-Y354 HydrophobicContact CD2-CE2 4.37Å; L350-Y354 VanDerWaalsContact O-CD2 3.22Å; L350-Y354 WeakPolarHBondContact O-CD2 3.15Å; L350-Y354 PolarHBondContact O-N 3.49Å; E351-Y354 PolarHBondContact O-N 3.26Å; E352-Y354 PolarHBondContact O-N 3.26Å; Y354-G356 VanDerWaalsContact C-N 3.3Å; Y354-P359 HydrophobicContact CD1-CB 3.82Å; Y354-P359 HydrophobicContact CE1-CB 4.34Å; Y354-P359 HydrophobicContact CG-CB 4.45Å; Y354-P360 HydrophobicContact CE1-CB 4.46Å; Y354-P360 WeakPolarHBondContact CE1-O 3.17Å; Y354-P360 HydrophobicContact CE2-CB 4.37Å; Y354-P360 HydrophobicContact CE2-CG 4.04Å; Y354-P361 PolarHBondContact OH-O 3.44Å; Y354-L364 WeakPolarHBondContact OH-CB 3.36Å; Y354-L365 HydrophobicContact CD1-CD1 3.86Å; Y354-L365 HydrophobicContact CD1-CG 4.5Å; Y354-L365 HydrophobicContact CD2-CD1 3.69Å; Y354-L365 HydrophobicContact CD2-CD2 3.87Å; Y354-L365 HydrophobicContact CD2-CG 3.95Å; Y354-L365 HydrophobicContact CE1-CD1 3.77Å; Y354-L365 HydrophobicContact CE1-CG 3.97Å; Y354-L365 HydrophobicContact CE2-CD1 3.65Å; Y354-L365 HydrophobicContact CE2-CD2 3.38Å; Y354-L365 HydrophobicContact CE2-CG 3.4Å; Y354-L365 HydrophobicContact CG-CD1 3.81Å; Y354-L365 HydrophobicContact CG-CG 4.49Å; Y354-Y395 PolarHBondContact O-OH 3.5Å; Y354-L396 HydrophobicContact CD2-CD2 4.25Å; Y354-Y399 AromaticContact CD1-CD1 3.94Å; Y354-Y399 HydrophobicContact CD1-CD1 3.94Å; Y354-Y399 AromaticContact CD1-CE1 3.4Å; Y354-Y399 HydrophobicContact CD1-CE1 3.4Å; Y354-Y399 HydrophobicContact CD1-CE2 4.11Å; Y354-Y399 AromaticContact CD1-CZ 3.52Å; Y354-Y399 HydrophobicContact CE1-CD1 4.36Å; Y354-Y399 AromaticContact CE1-CE1 3.77Å; Y354-Y399 HydrophobicContact CE1-CE1 3.77Å; Y354-Y399 HydrophobicContact CG-CE1 4.41Å; Y354-R419 PolarHBondContact O-NH1 2.93Å
355K94.8Very high94.9Very high109 Ų10942 Ų4247%0.47424%0.239SC..Hα-helixtrans-74.3-21.2168-75.5176.6179.81680113E351 E352 Y395E351-K355 VanDerWaalsContact CD-CE 3.42Å; E351-K355 HydrophobicContact CG-CD 4.26Å; E351-K355 WeakPolarHBondContact O-CB 3.44Å; E351-K355 WeakPolarHBondContact O-CG 3.28Å; E351-K355 PolarHBondContact O-N 3.11Å; E351-K355 WeakPolarHBondContact OE1-CE 3.28Å; E351-K355 IonicContact OE1-NZ 2.74Å; E351-K355 PolarHBondContact OE1-NZ 3.28Å; E351-K355 IonicContact OE2-NZ 3.4Å; E351-K355 PolarHBondContact OE2-NZ 3.01Å; E352-K355 PolarHBondContact O-N 3.2Å; K355-Y395 HydrophobicContact CG-CE1 3.73Å
356G92.4Very high94.7Very high28 Ų2841.6 Ų41.629%0.28923%0.229SC..SBendtrans-64.2165.3179.400000114.5E352 A353 Y354 A358 R419E352-G356 PolarHBondContact O-N 2.95Å; E352-G356 VanDerWaalsContact O-N 3.15Å; A353-G356 PolarHBondContact O-N 3.19Å; Y354-G356 VanDerWaalsContact C-N 3.3Å; G356-A358 VanDerWaalsContact C-N 3.33Å; G356-A358 PolarHBondContact O-N 2.9Å; G356-R419 PolarHBondContact O-NH1 3.31Å
357D89.1Confident94.4Very high168 Ų16842.2 Ų42.290%0.89823%0.231SC*.SBendtrans-63.5-39.2179.4-65.7-37.8000111.9P359 R419D357-P359 WeakPolarHBondContact O-CD 2.97Å; D357-R419 PolarHBondContact O-NH2 3.32Å
358A89.4Confident93.9Very high69 Ų6942.8 Ų42.857%0.5724%0.235SC*.SBendtrans-116.983.6178.700000110.6Y326 G356Y326-A358 VanDerWaalsContact CE1-O 3.3Å; Y326-A358 WeakPolarHBondContact CE1-O 3.34Å; G356-A358 VanDerWaalsContact C-N 3.33Å; G356-A358 PolarHBondContact O-N 2.9Å
359P93.7Very high93.5Very high1 Ų140.8 Ų40.81%0.00622%0.224CC..PPolyproline II helixtrans-80.3158.6-176.836.5-42.1000111.6Y326 A353 Y354 D357 R414 R419Y326-P359 PolarHBondContact OH-O 3.36Å; A353-P359 WeakPolarHBondContact O-CA 3.36Å; Y354-P359 HydrophobicContact CD1-CB 3.82Å; Y354-P359 HydrophobicContact CE1-CB 4.34Å; Y354-P359 HydrophobicContact CG-CB 4.45Å; D357-P359 WeakPolarHBondContact O-CD 2.97Å; P359-R414 PolarHBondContact O-NH1 3.11Å; P359-R414 PolarHBondContact O-NH2 2.93Å; P359-R419 VanDerWaalsContact CG-CZ 3.41Å
360P93.6Very high93.4Very high0 Ų036.3 Ų36.30%020%0.203CC..PPolyproline II helixtrans-62.1162.4171.7-13.826.6000112.2Y326 S329 A353 Y354 V362 L364 R414Y326-P360 HydrophobicContact CD1-CB 4.05Å; Y326-P360 HydrophobicContact CD1-CG 3.79Å; Y326-P360 HydrophobicContact CD2-CB 4.02Å; Y326-P360 HydrophobicContact CE1-CG 4.44Å; Y326-P360 HydrophobicContact CG-CB 3.73Å; Y326-P360 HydrophobicContact CG-CG 3.91Å; S329-P360 VanDerWaalsContact OG-CG 3.29Å; S329-P360 WeakPolarHBondContact OG-CG 3.31Å; A353-P360 HydrophobicContact CB-CG 4.09Å; Y354-P360 HydrophobicContact CE1-CB 4.46Å; Y354-P360 WeakPolarHBondContact CE1-O 3.17Å; Y354-P360 HydrophobicContact CE2-CB 4.37Å; Y354-P360 HydrophobicContact CE2-CG 4.04Å; P360-V362 PolarHBondContact O-N 2.94Å; P360-L364 HydrophobicContact CB-CD2 4.2Å; P360-R414 PolarHBondContact O-NH2 2.97Å
361P92.2Very high93.2Very high19 Ų1937.4 Ų37.412%0.12321%0.208CC..PPolyproline II helixtrans-48.9130.9171.8-30.237.9000112.9A323 Y354 A363 L364A323-P361 HydrophobicContact CB-CG 4.22Å; Y354-P361 PolarHBondContact OH-O 3.44Å; P361-A363 PolarHBondContact O-N 2.96Å; P361-A363 VanDerWaalsContact O-N 3.08Å; P361-L364 WeakPolarHBondContact O-CB 3.4Å; P361-L364 PolarHBondContact O-N 3.38Å
362V93.8Very high93Very high4 Ų436.8 Ų36.82%0.02421%0.206CC..G310 helixtrans-58.8-23.9177.669.40000112.4P360 L364 L365 R366 Y399 V403 E405P360-V362 PolarHBondContact O-N 2.94Å; V362-L364 PolarHBondContact O-N 3.1Å; V362-L364 VanDerWaalsContact O-N 3.14Å; V362-L365 PolarHBondContact O-N 3.07Å; V362-R366 HydrophobicContact CG2-CG 4.38Å; V362-R366 PolarHBondContact O-N 2.93Å; V362-R366 VanDerWaalsContact O-N 3.09Å; V362-Y399 HydrophobicContact CB-CE1 4.36Å; V362-Y399 HydrophobicContact CG2-CD1 4.1Å; V362-Y399 HydrophobicContact CG2-CE1 4.04Å; V362-V403 HydrophobicContact CG2-CB 4.28Å; V362-V403 HydrophobicContact CG2-CG1 4.49Å; V362-E405 HydrophobicContact CB-CG 4.36Å; V362-E405 VanDerWaalsContact CB-OE1 3.28Å; V362-E405 WeakPolarHBondContact CB-OE1 3Å; V362-E405 VanDerWaalsContact CG1-CD 3.48Å; V362-E405 HydrophobicContact CG1-CG 3.85Å; V362-E405 PolarHBondContact N-OE1 2.8Å; V362-E405 PolarHBondContact N-OE2 3.23Å
363A90.1Very high92.8Very high41 Ų4131.8 Ų31.834%0.33918%0.183SC..G310 helixtrans-53.4-31172.500000113C321 P361 R366 Q367C321-A363 HydrophobicContact CB-CB 4.46Å; P361-A363 PolarHBondContact O-N 2.96Å; P361-A363 VanDerWaalsContact O-N 3.08Å; A363-R366 PolarHBondContact O-N 3.36Å; A363-Q367 PolarHBondContact O-NE2 2.96Å
364L94.4Very high92.8Very high0 Ų030.6 Ų30.60%017%0.173CC..G310 helixtrans-69.6-29.5176.3-175.169.4000112.6T318 C321 A323 M333 Y354 P360 P361 V362 Q367T318-L364 HydrophobicContact CG2-CD1 4.07Å; C321-L364 HydrophobicContact CB-CB 4.31Å; C321-L364 HydrophobicContact CB-CD1 4.25Å; A323-L364 HydrophobicContact CB-CB 4.48Å; A323-L364 HydrophobicContact CB-CD2 4.13Å; M333-L364 HydrophobicContact CB-CD1 3.8Å; M333-L364 HydrophobicContact CB-CD2 4.49Å; M333-L364 HydrophobicContact CB-CG 4.08Å; M333-L364 WeakPolarHBondContact CE-O 3.37Å; M333-L364 HydrophobicContact CG-CD1 3.74Å; M333-L364 HydrophobicContact CG-CG 4.14Å; Y354-L364 WeakPolarHBondContact OH-CB 3.36Å; P360-L364 HydrophobicContact CB-CD2 4.2Å; P361-L364 WeakPolarHBondContact O-CB 3.4Å; P361-L364 PolarHBondContact O-N 3.38Å; V362-L364 PolarHBondContact O-N 3.1Å; V362-L364 VanDerWaalsContact O-N 3.14Å; L364-Q367 VanDerWaalsContact O-CG 3.23Å; L364-Q367 WeakPolarHBondContact O-CG 3.43Å
365L96.2Very high92.8Very high0 Ų030.6 Ų30.60%017%0.173CC..THydrogen-bonded Turntrans-84.8-22.5172-62.1-178.1000113M333 L350 Y354 V362 Q367 F370 I371 L396 Y399 A400M333-L365 HydrophobicContact CE-CD2 4.04Å; L350-L365 HydrophobicContact CD1-CD2 4.45Å; Y354-L365 HydrophobicContact CD1-CD1 3.86Å; Y354-L365 HydrophobicContact CD1-CG 4.5Å; Y354-L365 HydrophobicContact CD2-CD1 3.69Å; Y354-L365 HydrophobicContact CD2-CD2 3.87Å; Y354-L365 HydrophobicContact CD2-CG 3.95Å; Y354-L365 HydrophobicContact CE1-CD1 3.77Å; Y354-L365 HydrophobicContact CE1-CG 3.97Å; Y354-L365 HydrophobicContact CE2-CD1 3.65Å; Y354-L365 HydrophobicContact CE2-CD2 3.38Å; Y354-L365 HydrophobicContact CE2-CG 3.4Å; Y354-L365 HydrophobicContact CG-CD1 3.81Å; Y354-L365 HydrophobicContact CG-CG 4.49Å; V362-L365 PolarHBondContact O-N 3.07Å; L365-Q367 PolarHBondContact O-N 3.03Å; L365-F370 HydrophobicContact CD2-CD1 4.46Å; L365-F370 HydrophobicContact CD2-CE1 3.78Å; L365-F370 WeakPolarHBondContact O-CD1 3.21Å; L365-I371 WeakPolarHBondContact O-CD1 3.24Å; L365-L396 HydrophobicContact CD1-CD2 3.96Å; L365-L396 HydrophobicContact CD2-CD2 4.16Å; L365-Y399 HydrophobicContact CD1-CD1 3.76Å; L365-Y399 HydrophobicContact CD1-CE1 4.45Å; L365-Y399 HydrophobicContact CD1-CG 4.3Å; L365-A400 HydrophobicContact CB-CB 3.79Å
366R92.2Very high92.8Very high109 Ų10926.6 Ų26.641%0.41116%0.157SC..  trans-77.317-178.8-71.7178174.3162.32.4114V362 A363 P368 A400 V403V362-R366 HydrophobicContact CG2-CG 4.38Å; V362-R366 PolarHBondContact O-N 2.93Å; V362-R366 VanDerWaalsContact O-N 3.09Å; A363-R366 PolarHBondContact O-N 3.36Å; R366-P368 VanDerWaalsContact O-CD 3.25Å; R366-P368 WeakPolarHBondContact O-CD 3.26Å; R366-A400 HydrophobicContact CG-CB 4.44Å; R366-A400 PolarHBondContact NE-O 2.9Å; R366-A400 PolarHBondContact NH2-O 2.77Å; R366-V403 PolarHBondContact NH2-O 3.31Å
367Q90.8Very high92.9Very high19 Ų1926 Ų269%0.08915%0.149CC..  trans-67.6118.6175.3-61.6-55-43.500109.6C321 M333 L337 A363 L364 L365 I369 F370 I371C321-Q367 PolarHBondContact SG-NE2 3.04Å; M333-Q367 HydrophobicContact CG-CG 4.35Å; M333-Q367 HydrophobicContact SD-CB 4.41Å; M333-Q367 HydrophobicContact SD-CG 4.31Å; L337-Q367 HydrophobicContact CD1-CB 4.4Å; L337-Q367 HydrophobicContact CD1-CG 4.19Å; L337-Q367 HydrophobicContact CD2-CB 3.96Å; A363-Q367 PolarHBondContact O-NE2 2.96Å; L364-Q367 VanDerWaalsContact O-CG 3.23Å; L364-Q367 WeakPolarHBondContact O-CG 3.43Å; L365-Q367 PolarHBondContact O-N 3.03Å; Q367-I369 VanDerWaalsContact C-N 3.29Å; Q367-I369 PolarHBondContact O-N 3.44Å; Q367-F370 HydrophobicContact CB-CB 4.05Å; Q367-F370 WeakPolarHBondContact O-CA 3.4Å; Q367-F370 WeakPolarHBondContact O-CB 3.48Å; Q367-F370 PolarHBondContact O-N 2.86Å; Q367-I371 PolarHBondContact O-N 2.95Å
368P87.8Confident93.3Very high13 Ų1318 Ų188%0.08411%0.106CC..Hα-helixtrans-67.4-27.8-167.3-3345.4000114.9F190 V194 L197 W300 R366 F370 I371 A372F190-P368 HydrophobicContact CE2-CG 4.43Å; F190-P368 HydrophobicContact CZ-CG 4.19Å; V194-P368 HydrophobicContact CG2-CB 3.99Å; V194-P368 HydrophobicContact CG2-CG 4.45Å; L197-P368 HydrophobicContact CD2-CB 4.12Å; W300-P368 HydrophobicContact CD2-CG 4.42Å; W300-P368 HydrophobicContact CG-CG 3.99Å; W300-P368 HydrophobicContact CZ2-CB 4.27Å; R366-P368 VanDerWaalsContact O-CD 3.25Å; R366-P368 WeakPolarHBondContact O-CD 3.26Å; P368-F370 VanDerWaalsContact C-N 3.32Å; P368-I371 PolarHBondContact O-N 3.43Å; P368-A372 VanDerWaalsContact O-CB 3.26Å; P368-A372 WeakPolarHBondContact O-CB 3.44Å; P368-A372 PolarHBondContact O-N 3.48Å
369I89.7Confident93.6Very high22 Ų2214.7 Ų14.711%0.1138%0.079CC..Hα-helixtrans-60.4-45.3169.7-65.2172.4000109.9L197 L337 Q340 Q367 A372 L373L197-I369 HydrophobicContact CD2-CG1 3.99Å; L337-I369 HydrophobicContact CD2-CB 3.86Å; L337-I369 HydrophobicContact CD2-CG2 4.16Å; Q340-I369 HydrophobicContact CG-CG2 4.27Å; Q367-I369 VanDerWaalsContact C-N 3.29Å; Q367-I369 PolarHBondContact O-N 3.44Å; I369-A372 PolarHBondContact O-N 3.47Å; I369-L373 HydrophobicContact CG2-CD1 4.02Å; I369-L373 HydrophobicContact CG2-CG 4.43Å; I369-L373 WeakPolarHBondContact O-CB 3.4Å; I369-L373 VanDerWaalsContact O-CG 3.24Å; I369-L373 WeakPolarHBondContact O-CG 3.31Å; I369-L373 PolarHBondContact O-N 3.47Å
370F94.4Very high93.4Very high0 Ų014.9 Ų14.90%08%0.081CC..Hα-helixtrans-65.5-43.4178.3-176.7-118.4000112.3M333 I336 L337 L342 L350 L365 Q367 P368 A372 L373 L374 L396M333-F370 HydrophobicContact CE-CB 4.15Å; M333-F370 HydrophobicContact CE-CD1 3.48Å; M333-F370 VanDerWaalsContact CE-CD1 3.48Å; M333-F370 HydrophobicContact CE-CD2 4.09Å; M333-F370 HydrophobicContact CE-CE1 3.79Å; M333-F370 HydrophobicContact CE-CE2 4.35Å; M333-F370 HydrophobicContact CE-CG 3.62Å; M333-F370 HydrophobicContact CE-CZ 4.2Å; M333-F370 HydrophobicContact SD-CB 4Å; M333-F370 HydrophobicContact SD-CD1 4.42Å; M333-F370 HydrophobicContact SD-CD2 4.32Å; M333-F370 HydrophobicContact SD-CG 4Å; I336-F370 HydrophobicContact CD1-CE2 4.09Å; I336-F370 HydrophobicContact CG2-CD2 3.71Å; I336-F370 HydrophobicContact CG2-CE2 4.27Å; L337-F370 HydrophobicContact CD2-CB 4.47Å; L342-F370 HydrophobicContact CD2-CD2 3.96Å; L342-F370 HydrophobicContact CD2-CE2 3.68Å; L350-F370 HydrophobicContact CD1-CZ 4.23Å; L365-F370 HydrophobicContact CD2-CD1 4.46Å; L365-F370 HydrophobicContact CD2-CE1 3.78Å; L365-F370 WeakPolarHBondContact O-CD1 3.21Å; Q367-F370 HydrophobicContact CB-CB 4.05Å; Q367-F370 WeakPolarHBondContact O-CA 3.4Å; Q367-F370 WeakPolarHBondContact O-CB 3.48Å; Q367-F370 PolarHBondContact O-N 2.86Å; P368-F370 VanDerWaalsContact C-N 3.32Å; F370-A372 VanDerWaalsContact C-N 3.35Å; F370-A372 PolarHBondContact O-N 2.9Å; F370-L373 PolarHBondContact O-N 3.02Å; F370-L374 HydrophobicContact CD1-CD1 3.92Å; F370-L374 HydrophobicContact CD2-CG 4.44Å; F370-L374 HydrophobicContact CE1-CD1 3.42Å; F370-L374 VanDerWaalsContact CE1-CD1 3.42Å; F370-L374 HydrophobicContact CE1-CG 4.24Å; F370-L374 HydrophobicContact CE2-CD1 4.15Å; F370-L374 HydrophobicContact CE2-CD2 4.3Å; F370-L374 HydrophobicContact CE2-CG 4.09Å; F370-L374 HydrophobicContact CG-CD1 4.48Å; F370-L374 HydrophobicContact CZ-CD1 3.58Å; F370-L374 HydrophobicContact CZ-CD2 4.19Å; F370-L374 HydrophobicContact CZ-CG 4Å; F370-L374 WeakPolarHBondContact O-CG 3.14Å; F370-L374 PolarHBondContact O-N 2.83Å; F370-L396 HydrophobicContact CZ-CD1 4.07Å
371I94.4Very high93.2Very high23 Ų2315.3 Ų15.312%0.1188%0.084CC..Hα-helixtrans-60.1-44.3174.4-62.6-59.1000111.2L365 Q367 P368 L374 A375 Y397 A400 L469L365-I371 WeakPolarHBondContact O-CD1 3.24Å; Q367-I371 PolarHBondContact O-N 2.95Å; P368-I371 PolarHBondContact O-N 3.43Å; I371-L374 PolarHBondContact O-N 2.87Å; I371-A375 VanDerWaalsContact O-CB 3.31Å; I371-A375 WeakPolarHBondContact O-CB 3.48Å; I371-A375 PolarHBondContact O-N 2.81Å; I371-Y397 HydrophobicContact CG2-CD2 4.5Å; I371-Y397 HydrophobicContact CG2-CE2 3.87Å; I371-A400 HydrophobicContact CD1-CB 3.6Å; I371-L469 HydrophobicContact CG2-CD2 4.14Å
372A92.3Very high92.6Very high1 Ų118.1 Ų18.11%0.00810%0.104CC..Hα-helixtrans-63.5-43.7177.200000111.8L197 P199 P368 I369 F370 A375 D376L197-A372 HydrophobicContact CB-CB 4.5Å; L197-A372 HydrophobicContact CD2-CB 4.11Å; P199-A372 HydrophobicContact CG-CB 4.17Å; P368-A372 VanDerWaalsContact O-CB 3.26Å; P368-A372 WeakPolarHBondContact O-CB 3.44Å; P368-A372 PolarHBondContact O-N 3.48Å; I369-A372 PolarHBondContact O-N 3.47Å; F370-A372 VanDerWaalsContact C-N 3.35Å; F370-A372 PolarHBondContact O-N 2.9Å; A372-A375 PolarHBondContact O-N 2.87Å; A372-D376 WeakPolarHBondContact O-CB 3.25Å; A372-D376 VanDerWaalsContact O-CG 3.3Å; A372-D376 PolarHBondContact O-N 3.38Å
373L94.6Very high92.1Very high17 Ų1722.7 Ų22.79%0.08913%0.128CC..Hα-helixtrans-59.1-47.8175.6-76.6170.7000112P199 I336 Q340 L342 I369 F370 D376 A377P199-L373 HydrophobicContact CB-CD2 3.59Å; P199-L373 HydrophobicContact CB-CG 4.03Å; P199-L373 HydrophobicContact CG-CD2 3.66Å; P199-L373 HydrophobicContact CG-CG 3.77Å; I336-L373 HydrophobicContact CG2-CD1 3.99Å; Q340-L373 WeakPolarHBondContact O-CD2 3.47Å; L342-L373 HydrophobicContact CD1-CB 4.36Å; L342-L373 HydrophobicContact CD2-CB 3.81Å; L342-L373 HydrophobicContact CD2-CD1 4.42Å; L342-L373 HydrophobicContact CG-CB 3.91Å; I369-L373 HydrophobicContact CG2-CD1 4.02Å; I369-L373 HydrophobicContact CG2-CG 4.43Å; I369-L373 WeakPolarHBondContact O-CB 3.4Å; I369-L373 VanDerWaalsContact O-CG 3.24Å; I369-L373 WeakPolarHBondContact O-CG 3.31Å; I369-L373 PolarHBondContact O-N 3.47Å; F370-L373 PolarHBondContact O-N 3.02Å; L373-D376 PolarHBondContact O-N 3.35Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 3.44Å
374L97Very high91.9Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-62.7-46.6176.9-72175.6000111.6L342 F370 I371 D376 A377 L378 Y393 L396 Y397L342-L374 HydrophobicContact CD1-CD2 4.16Å; L342-L374 HydrophobicContact CD2-CD2 3.96Å; L342-L374 HydrophobicContact CD2-CG 4.28Å; F370-L374 HydrophobicContact CD1-CD1 3.92Å; F370-L374 HydrophobicContact CD2-CG 4.44Å; F370-L374 HydrophobicContact CE1-CD1 3.42Å; F370-L374 VanDerWaalsContact CE1-CD1 3.42Å; F370-L374 HydrophobicContact CE1-CG 4.24Å; F370-L374 HydrophobicContact CE2-CD1 4.15Å; F370-L374 HydrophobicContact CE2-CD2 4.3Å; F370-L374 HydrophobicContact CE2-CG 4.09Å; F370-L374 HydrophobicContact CG-CD1 4.48Å; F370-L374 HydrophobicContact CZ-CD1 3.58Å; F370-L374 HydrophobicContact CZ-CD2 4.19Å; F370-L374 HydrophobicContact CZ-CG 4Å; F370-L374 WeakPolarHBondContact O-CG 3.14Å; F370-L374 PolarHBondContact O-N 2.83Å; I371-L374 PolarHBondContact O-N 2.87Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-D376 PolarHBondContact O-N 2.94Å; L374-A377 PolarHBondContact O-N 2.96Å; L374-L378 VanDerWaalsContact O-CB 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 WeakPolarHBondContact O-CD1 3.44Å; L374-L378 WeakPolarHBondContact O-CG 3.02Å; L374-L378 PolarHBondContact O-N 3.45Å; L374-Y393 HydrophobicContact CD2-CD1 4.2Å; L374-Y393 HydrophobicContact CD2-CG 3.92Å; L374-L396 HydrophobicContact CD1-CB 4.16Å; L374-Y397 HydrophobicContact CB-CD2 3.81Å; L374-Y397 HydrophobicContact CB-CG 4.4Å; L374-Y397 HydrophobicContact CD1-CD2 4.35Å
375A95.9Very high91.6Very high0 Ų034.4 Ų34.40%017%0.166CC..Hα-helixtrans-61.2-42.9178.600000111.8I371 A372 L378 F379 Y397I371-A375 VanDerWaalsContact O-CB 3.31Å; I371-A375 WeakPolarHBondContact O-CB 3.48Å; I371-A375 PolarHBondContact O-N 2.81Å; A372-A375 PolarHBondContact O-N 2.87Å; A375-L378 PolarHBondContact O-N 3.49Å; A375-F379 WeakPolarHBondContact O-CB 3.47Å; A375-F379 WeakPolarHBondContact O-CD2 3.39Å; A375-F379 PolarHBondContact O-N 3.43Å; A375-Y397 HydrophobicContact CB-CE2 3.86Å
376D94.2Very high91.4Very high25 Ų2539.8 Ų39.813%0.13420%0.195CC..Iπ-helixtrans-64.3-47.4176.6-74.4-17.2000111.3A372 L373 L374 L378 A380 S381 R473A372-D376 WeakPolarHBondContact O-CB 3.25Å; A372-D376 VanDerWaalsContact O-CG 3.3Å; A372-D376 PolarHBondContact O-N 3.38Å; L373-D376 PolarHBondContact O-N 3.35Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-D376 PolarHBondContact O-N 2.94Å; D376-L378 VanDerWaalsContact C-N 3.29Å; D376-L378 PolarHBondContact O-N 3.4Å; D376-A380 CarbonylContact O-C 3.54Å; D376-A380 PolarHBondContact O-N 3.12Å; D376-S381 WeakPolarHBondContact O-CB 3.28Å; D376-S381 PolarHBondContact O-N 3.41Å; D376-R473 IonicContact OD1-CZ 2.67Å; D376-R473 VanDerWaalsContact OD1-CZ 3.28Å; D376-R473 IonicContact OD1-NE 3.36Å; D376-R473 PolarHBondContact OD1-NE 3.32Å; D376-R473 IonicContact OD1-NH2 3.07Å; D376-R473 PolarHBondContact OD1-NH2 2.98Å; D376-R473 IonicContact OD2-CZ 3.58Å; D376-R473 IonicContact OD2-NE 3.39Å; D376-R473 IonicContact OD2-NH2 3.19Å; D376-R473 PolarHBondContact OD2-NH2 2.61Å
377A95.1Very high91.4Very high14 Ų1438.3 Ų38.312%0.11621%0.206CC..Iπ-helixtrans-61.3-38.7177.600000111.9L342 L373 L374 L385 Y393 R437L342-A377 HydrophobicContact CD1-CB 3.59Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 3.44Å; L374-A377 PolarHBondContact O-N 2.96Å; A377-L385 HydrophobicContact CB-CD1 4.48Å; A377-L385 WeakPolarHBondContact O-CD1 3.25Å; A377-Y393 HydrophobicContact CB-CD2 3.92Å; A377-Y393 HydrophobicContact CB-CE2 4.08Å; A377-R437 PolarHBondContact O-NH2 3.28Å
378L96.6Very high91.5Very high0 Ų044.4 Ų44.40%023%0.234CC..Iπ-helixtrans-76.4-42.9-178-71.9167.7000112.7L374 A375 D376 L390 A394 Y397 V429 S433 R437L374-L378 VanDerWaalsContact O-CB 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 WeakPolarHBondContact O-CD1 3.44Å; L374-L378 WeakPolarHBondContact O-CG 3.02Å; L374-L378 PolarHBondContact O-N 3.45Å; A375-L378 PolarHBondContact O-N 3.49Å; D376-L378 VanDerWaalsContact C-N 3.29Å; D376-L378 PolarHBondContact O-N 3.4Å; L378-L390 HydrophobicContact CD2-CD1 3.83Å; L378-A394 HydrophobicContact CD2-CB 4.2Å; L378-Y397 HydrophobicContact CD1-CD1 3.96Å; L378-Y397 HydrophobicContact CD1-CG 3.9Å; L378-V429 HydrophobicContact CD1-CG1 3.95Å; L378-S433 WeakPolarHBondContact O-CB 3.35Å; L378-S433 PolarHBondContact O-OG 3.03Å; L378-R437 PolarHBondContact O-NE 3Å
379F95.8Very high91.9Very high0 Ų045.8 Ų45.80%024%0.239CC..Iπ-helixtrans-115.3-37.3-165.8-62.9-87.2000114.4A375 Y397 V429 A432 C436 V467 G470 V471 F474A375-F379 WeakPolarHBondContact O-CB 3.47Å; A375-F379 WeakPolarHBondContact O-CD2 3.39Å; A375-F379 PolarHBondContact O-N 3.43Å; F379-Y397 HydrophobicContact CE2-CD1 4.49Å; F379-Y397 AromaticContact CE2-CE1 3.98Å; F379-Y397 HydrophobicContact CE2-CE1 3.98Å; F379-V429 HydrophobicContact CE2-CG1 4.28Å; F379-V429 HydrophobicContact CZ-CG1 3.98Å; F379-A432 HydrophobicContact CE1-CB 3.77Å; F379-C436 HydrophobicContact CD1-CB 4.32Å; F379-V467 HydrophobicContact CE1-CG1 4.34Å; F379-G470 VanDerWaalsContact CB-O 3.3Å; F379-G470 WeakPolarHBondContact CB-O 3.45Å; F379-G470 VanDerWaalsContact CD2-CA 3.48Å; F379-V471 HydrophobicContact CD1-CG2 4.21Å; F379-V471 HydrophobicContact CE1-CG2 4.31Å; F379-F474 HydrophobicContact CB-CB 4.05Å; F379-F474 VanDerWaalsContact O-CD2 3.27Å; F379-F474 WeakPolarHBondContact O-CD2 3.39Å
380A91.4Very high92.2Very high6 Ų646.6 Ų46.65%0.0524%0.244CC..Iπ-helixtrans-109-19.1-164.300000114.1D376 N440 V477D376-A380 CarbonylContact O-C 3.54Å; D376-A380 PolarHBondContact O-N 3.12Å; A380-N440 PolarHBondContact O-ND2 2.99Å; A380-V477 HydrophobicContact CB-CB 4.37Å; A380-V477 HydrophobicContact CB-CG2 3.84Å
381S87.5Confident92.3Very high9 Ų950.5 Ų50.56%0.06326%0.262CS..  trans-77.5145.2178.9-177.50000112.3D376 D383 N440D376-S381 WeakPolarHBondContact O-CB 3.28Å; D376-S381 PolarHBondContact O-N 3.41Å; S381-D383 VanDerWaalsContact C-N 3.31Å; S381-D383 WeakPolarHBondContact OG-CB 3.26Å; S381-D383 PolarHBondContact OG-N 3.1Å; S381-D383 PolarHBondContact OG-OD2 3.35Å; S381-N440 PolarHBondContact O-ND2 3.43Å
382S79.7Confident92.5Very high77 Ų7750.8 Ų50.854%0.53826%0.263SS..  trans-82.3-9.6167.6500000113
383D84.3Confident92.7Very high101 Ų10151.2 Ų51.254%0.5426%0.264SS..SBendtrans-66.1137-173.3-59.2-34.4000111.3S381 L385 R437S381-D383 VanDerWaalsContact C-N 3.31Å; S381-D383 WeakPolarHBondContact OG-CB 3.26Å; S381-D383 PolarHBondContact OG-N 3.1Å; S381-D383 PolarHBondContact OG-OD2 3.35Å; D383-L385 PolarHBondContact O-N 3.25Å; D383-R437 PolarHBondContact O-NH1 3Å; D383-R437 PolarHBondContact O-NH2 3.14Å
384R85Confident92.9Very high244 Ų24450.4 Ų50.492%0.92126%0.26SS*.  trans-75.9111.2175.9-66.5-175.4-179.5-174.51109.2
385L88.5Confident93Very high42 Ų4251.5 Ų51.522%0.2227%0.265CS..  trans-88.6143171-65.9176.7000110.3A377 D383 Q389 L390 Y393 R437A377-L385 HydrophobicContact CB-CD1 4.48Å; A377-L385 WeakPolarHBondContact O-CD1 3.25Å; D383-L385 PolarHBondContact O-N 3.25Å; L385-Q389 HydrophobicContact CB-CB 4.49Å; L385-Q389 HydrophobicContact CD2-CB 4.49Å; L385-L390 HydrophobicContact CD1-CD1 4.22Å; L385-Y393 HydrophobicContact CD1-CD2 3.91Å; L385-Y393 HydrophobicContact CD1-CE2 4.06Å; L385-Y393 HydrophobicContact CD2-CD2 4.49Å; L385-Y393 HydrophobicContact CD2-CE2 3.8Å; L385-R437 VanDerWaalsContact CG-NH2 3.31Å
386L92.2Very high93.1Very high114 Ų11451.5 Ų51.560%0.59727%0.265SS*.  trans-65.3153.3166.1-62.2172.6000109.6E388 Q389 L390L386-E388 PolarHBondContact O-N 2.96Å; L386-Q389 HydrophobicContact CB-CB 4.46Å; L386-Q389 HydrophobicContact CB-CG 4.19Å; L386-Q389 VanDerWaalsContact N-OE1 3.11Å; L386-Q389 PolarHBondContact O-N 3.38Å; L386-Q389 VanDerWaalsContact O-N 3.16Å; L386-L390 PolarHBondContact O-N 3.17Å
387A92.5Very high93.3Very high77 Ų7750.6 Ų50.664%0.63626%0.259SS*.Hα-helixtrans-57.3-39.7178.300000111.7L390 E391A387-L390 PolarHBondContact O-N 3.37Å; A387-E391 VanDerWaalsContact O-CG 3.27Å; A387-E391 WeakPolarHBondContact O-CG 3.4Å; A387-E391 PolarHBondContact O-N 2.68Å
388E93.8Very high93.4Very high148 Ų14849.9 Ų49.969%0.69225%0.254SS*.Hα-helixtrans-62.8-44.7177-65.8172.4-172.600112.2L386 L390 E391 Q392L386-E388 PolarHBondContact O-N 2.96Å; E388-L390 VanDerWaalsContact C-N 3.35Å; E388-L390 PolarHBondContact O-N 3.31Å; E388-E391 PolarHBondContact O-N 2.99Å; E388-Q392 WeakPolarHBondContact O-CB 3.46Å; E388-Q392 WeakPolarHBondContact O-CG 3.35Å; E388-Q392 PolarHBondContact O-N 3.27Å
389Q95.1Very high93.5Very high41 Ų4149.9 Ų49.919%0.19225%0.254CS..Hα-helixtrans-64.6-40.3177-67.7175.8-50.400111.7L385 L386 E391 Q392 Y393L385-Q389 HydrophobicContact CB-CB 4.49Å; L385-Q389 HydrophobicContact CD2-CB 4.49Å; L386-Q389 HydrophobicContact CB-CB 4.46Å; L386-Q389 HydrophobicContact CB-CG 4.19Å; L386-Q389 VanDerWaalsContact N-OE1 3.11Å; L386-Q389 PolarHBondContact O-N 3.38Å; L386-Q389 VanDerWaalsContact O-N 3.16Å; Q389-E391 VanDerWaalsContact C-N 3.32Å; Q389-E391 PolarHBondContact O-N 2.67Å; Q389-Q392 PolarHBondContact O-N 3.41Å; Q389-Y393 HydrophobicContact CB-CE1 4.39Å; Q389-Y393 HydrophobicContact CB-CE2 4.5Å; Q389-Y393 WeakPolarHBondContact O-CB 3.33Å; Q389-Y393 WeakPolarHBondContact O-CD1 3.4Å; Q389-Y393 PolarHBondContact O-N 3.31Å
390L95.4Very high93.5Very high39 Ų3950 Ų5020%0.20426%0.255CS..Hα-helixtrans-60.7-44.9177.2-172.972.5000111L378 L385 L386 A387 E388 A394 L430L378-L390 HydrophobicContact CD2-CD1 3.83Å; L385-L390 HydrophobicContact CD1-CD1 4.22Å; L386-L390 PolarHBondContact O-N 3.17Å; A387-L390 PolarHBondContact O-N 3.37Å; E388-L390 VanDerWaalsContact C-N 3.35Å; E388-L390 PolarHBondContact O-N 3.31Å; L390-A394 WeakPolarHBondContact O-CB 3.37Å; L390-A394 PolarHBondContact O-N 3.44Å; L390-L430 HydrophobicContact CD2-CD2 3.99Å; L390-L430 HydrophobicContact CG-CD2 3.73Å
391E97Very high93.7Very high83 Ų8352.2 Ų52.239%0.38827%0.273SS..Hα-helixtrans-63.3-42.6176.7-71.5-71156.200112.3A387 E388 Q389 Y395 K426 L430A387-E391 VanDerWaalsContact O-CG 3.27Å; A387-E391 WeakPolarHBondContact O-CG 3.4Å; A387-E391 PolarHBondContact O-N 2.68Å; E388-E391 PolarHBondContact O-N 2.99Å; Q389-E391 VanDerWaalsContact C-N 3.32Å; Q389-E391 PolarHBondContact O-N 2.67Å; E391-Y395 VanDerWaalsContact O-CB 3.31Å; E391-Y395 WeakPolarHBondContact O-CB 3.39Å; E391-Y395 PolarHBondContact O-N 3.39Å; E391-K426 WeakPolarHBondContact O-CE 3.41Å; E391-K426 WeakPolarHBondContact OE2-CE 3.44Å; E391-K426 IonicContact OE2-NZ 3.59Å; E391-K426 PolarHBondContact OE2-NZ 3.17Å; E391-L430 WeakPolarHBondContact OE1-CD1 3.47Å
392Q97.6Very high94.1Very high29 Ų2953.1 Ų53.114%0.13628%0.278CS..Hα-helixtrans-61.5-50.9176.7-75.3167-14.800111.7E351 E388 Q389 Y395 L396E351-Q392 VanDerWaalsContact CD-CG 3.42Å; E351-Q392 HydrophobicContact CG-CG 4.4Å; E351-Q392 WeakPolarHBondContact OE1-CA 3.27Å; E351-Q392 WeakPolarHBondContact OE1-CG 3.48Å; E351-Q392 WeakPolarHBondContact OE2-CG 3.3Å; E388-Q392 WeakPolarHBondContact O-CB 3.46Å; E388-Q392 WeakPolarHBondContact O-CG 3.35Å; E388-Q392 PolarHBondContact O-N 3.27Å; Q389-Q392 PolarHBondContact O-N 3.41Å; Q392-Y395 PolarHBondContact O-N 3.36Å; Q392-L396 PolarHBondContact O-N 3.03Å
393Y98Very high94.8Very high9 Ų949.4 Ų49.44%0.03525%0.252CS..Hα-helixtrans-67.3-42.8-175.9-64.82.7000110.2L342 V347 L374 A377 L385 Q389 Y395 L396 Y397L342-Y393 HydrophobicContact CD1-CD2 3.98Å; L342-Y393 HydrophobicContact CD1-CE2 3.67Å; V347-Y393 HydrophobicContact CB-CE1 4.28Å; V347-Y393 HydrophobicContact CG1-CD1 3.77Å; V347-Y393 HydrophobicContact CG1-CE1 3.62Å; V347-Y393 HydrophobicContact CG2-CE1 4.31Å; L374-Y393 HydrophobicContact CD2-CD1 4.2Å; L374-Y393 HydrophobicContact CD2-CG 3.92Å; A377-Y393 HydrophobicContact CB-CD2 3.92Å; A377-Y393 HydrophobicContact CB-CE2 4.08Å; L385-Y393 HydrophobicContact CD1-CD2 3.91Å; L385-Y393 HydrophobicContact CD1-CE2 4.06Å; L385-Y393 HydrophobicContact CD2-CD2 4.49Å; L385-Y393 HydrophobicContact CD2-CE2 3.8Å; Q389-Y393 HydrophobicContact CB-CE1 4.39Å; Q389-Y393 HydrophobicContact CB-CE2 4.5Å; Q389-Y393 WeakPolarHBondContact O-CB 3.33Å; Q389-Y393 WeakPolarHBondContact O-CD1 3.4Å; Q389-Y393 PolarHBondContact O-N 3.31Å; Y393-Y395 VanDerWaalsContact C-N 3.33Å; Y393-Y395 PolarHBondContact O-N 2.9Å; Y393-L396 PolarHBondContact O-N 3.23Å; Y393-Y397 WeakPolarHBondContact O-CB 3.41Å; Y393-Y397 PolarHBondContact O-N 3.47Å
394A98Very high95.1Very high0 Ų048.6 Ų48.60%025%0.25CS..Hα-helixtrans-63.7-38.6176.100000111.8L378 L390 S398 K426 V429 L430L378-A394 HydrophobicContact CD2-CB 4.2Å; L390-A394 WeakPolarHBondContact O-CB 3.37Å; L390-A394 PolarHBondContact O-N 3.44Å; A394-S398 VanDerWaalsContact O-CB 3.25Å; A394-S398 WeakPolarHBondContact O-CB 3.32Å; A394-S398 PolarHBondContact O-N 3.45Å; A394-S398 PolarHBondContact O-OG 2.96Å; A394-K426 HydrophobicContact CB-CG 4.1Å; A394-V429 HydrophobicContact CB-CG1 3.83Å; A394-L430 HydrophobicContact CB-CD2 3.54Å; A394-L430 HydrophobicContact CB-CG 3.77Å
395Y98.4Very high95.3Very high24 Ų2438.4 Ų38.49%0.09421%0.213CC..Hα-helixtrans-62.9-52.4176.2177.8-100.7000111.7E351 Y354 K355 E391 Q392 Y393 Y397 S398 Y399 V422 K426E351-Y395 HydrophobicContact CG-CD1 3.83Å; E351-Y395 HydrophobicContact CG-CE1 4.39Å; Y354-Y395 PolarHBondContact O-OH 3.5Å; K355-Y395 HydrophobicContact CG-CE1 3.73Å; E391-Y395 VanDerWaalsContact O-CB 3.31Å; E391-Y395 WeakPolarHBondContact O-CB 3.39Å; E391-Y395 PolarHBondContact O-N 3.39Å; Q392-Y395 PolarHBondContact O-N 3.36Å; Y393-Y395 VanDerWaalsContact C-N 3.33Å; Y393-Y395 PolarHBondContact O-N 2.9Å; Y395-Y397 PolarHBondContact O-N 3.15Å; Y395-S398 PolarHBondContact O-N 3.2Å; Y395-Y399 HydrophobicContact CE1-CD2 4.23Å; Y395-Y399 AromaticContact CZ-CD2 3.94Å; Y395-Y399 VanDerWaalsContact O-CB 3.25Å; Y395-Y399 WeakPolarHBondContact O-CB 3.22Å; Y395-Y399 PolarHBondContact O-N 3.36Å; Y395-V422 HydrophobicContact CD2-CG1 4Å; Y395-V422 HydrophobicContact CE2-CG1 3.76Å; Y395-K426 HydrophobicContact CD2-CD 4.26Å
396L98.5Very high95.1Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-64.1-40.2-179.2-69.7174.7000112.3V347 L350 E351 Y354 L365 F370 L374 Q392 Y393 Y399 A400V347-L396 HydrophobicContact CG1-CD1 3.71Å; L350-L396 HydrophobicContact CB-CD1 4.26Å; L350-L396 HydrophobicContact CB-CD2 4.46Å; E351-L396 HydrophobicContact CB-CD1 4.44Å; Y354-L396 HydrophobicContact CD2-CD2 4.25Å; L365-L396 HydrophobicContact CD1-CD2 3.96Å; L365-L396 HydrophobicContact CD2-CD2 4.16Å; F370-L396 HydrophobicContact CZ-CD1 4.07Å; L374-L396 HydrophobicContact CD1-CB 4.16Å; Q392-L396 PolarHBondContact O-N 3.03Å; Y393-L396 PolarHBondContact O-N 3.23Å; L396-Y399 PolarHBondContact O-N 2.93Å; L396-A400 WeakPolarHBondContact O-CB 3.15Å; L396-A400 PolarHBondContact O-N 2.82Å
397Y98.3Very high94.5Very high5 Ų540.2 Ų40.22%0.0222%0.219CC..Hα-helixtrans-62.8-47.1177.4-172.3-112.8000111.6I371 L374 A375 L378 F379 Y393 Y395 A401 V429 P466I371-Y397 HydrophobicContact CG2-CD2 4.5Å; I371-Y397 HydrophobicContact CG2-CE2 3.87Å; L374-Y397 HydrophobicContact CB-CD2 3.81Å; L374-Y397 HydrophobicContact CB-CG 4.4Å; L374-Y397 HydrophobicContact CD1-CD2 4.35Å; A375-Y397 HydrophobicContact CB-CE2 3.86Å; L378-Y397 HydrophobicContact CD1-CD1 3.96Å; L378-Y397 HydrophobicContact CD1-CG 3.9Å; F379-Y397 HydrophobicContact CE2-CD1 4.49Å; F379-Y397 AromaticContact CE2-CE1 3.98Å; F379-Y397 HydrophobicContact CE2-CE1 3.98Å; Y393-Y397 WeakPolarHBondContact O-CB 3.41Å; Y393-Y397 PolarHBondContact O-N 3.47Å; Y395-Y397 PolarHBondContact O-N 3.15Å; Y397-A401 WeakPolarHBondContact O-CB 3.37Å; Y397-A401 PolarHBondContact O-N 2.86Å; Y397-V429 HydrophobicContact CD1-CG1 4.12Å; Y397-V429 HydrophobicContact CD1-CG2 4.01Å; Y397-V429 HydrophobicContact CE1-CG2 4.32Å; Y397-P466 HydrophobicContact CD1-CB 4.1Å; Y397-P466 HydrophobicContact CE1-CB 3.53Å; Y397-P466 VanDerWaalsContact CE1-O 3.28Å; Y397-P466 WeakPolarHBondContact CE1-O 3.46Å; Y397-P466 PolarHBondContact OH-O 3.26Å
398S98.3Very high93.9Very high0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-65.2-43.7175.8-66.50000112.2A394 Y395 A400 A401 V402 A425 K426A394-S398 VanDerWaalsContact O-CB 3.25Å; A394-S398 WeakPolarHBondContact O-CB 3.32Å; A394-S398 PolarHBondContact O-N 3.45Å; A394-S398 PolarHBondContact O-OG 2.96Å; Y395-S398 PolarHBondContact O-N 3.2Å; S398-A400 PolarHBondContact O-N 3.45Å; S398-A401 PolarHBondContact O-N 3.02Å; S398-A401 VanDerWaalsContact O-N 3.14Å; S398-V402 WeakPolarHBondContact O-CG2 3.48Å; S398-V402 PolarHBondContact O-N 2.71Å; S398-A425 VanDerWaalsContact OG-C 3.28Å; S398-A425 PolarHBondContact OG-O 2.97Å; S398-K426 WeakPolarHBondContact OG-CA 3.49Å; S398-K426 PolarHBondContact OG-N 3.49Å
399Y98.1Very high92.7Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-57-49.7177.6-169-69.8000110.8Y354 V362 L365 Y395 L396 A401 V403 R419 V422Y354-Y399 AromaticContact CD1-CD1 3.94Å; Y354-Y399 HydrophobicContact CD1-CD1 3.94Å; Y354-Y399 AromaticContact CD1-CE1 3.4Å; Y354-Y399 HydrophobicContact CD1-CE1 3.4Å; Y354-Y399 HydrophobicContact CD1-CE2 4.11Å; Y354-Y399 AromaticContact CD1-CZ 3.52Å; Y354-Y399 HydrophobicContact CE1-CD1 4.36Å; Y354-Y399 AromaticContact CE1-CE1 3.77Å; Y354-Y399 HydrophobicContact CE1-CE1 3.77Å; Y354-Y399 HydrophobicContact CG-CE1 4.41Å; V362-Y399 HydrophobicContact CB-CE1 4.36Å; V362-Y399 HydrophobicContact CG2-CD1 4.1Å; V362-Y399 HydrophobicContact CG2-CE1 4.04Å; L365-Y399 HydrophobicContact CD1-CD1 3.76Å; L365-Y399 HydrophobicContact CD1-CE1 4.45Å; L365-Y399 HydrophobicContact CD1-CG 4.3Å; Y395-Y399 HydrophobicContact CE1-CD2 4.23Å; Y395-Y399 AromaticContact CZ-CD2 3.94Å; Y395-Y399 VanDerWaalsContact O-CB 3.25Å; Y395-Y399 WeakPolarHBondContact O-CB 3.22Å; Y395-Y399 PolarHBondContact O-N 3.36Å; L396-Y399 PolarHBondContact O-N 2.93Å; Y399-A401 PolarHBondContact O-N 3.45Å; Y399-V403 HydrophobicContact CD1-CB 3.98Å; Y399-V403 HydrophobicContact CD1-CG1 4.46Å; Y399-V403 HydrophobicContact CD1-CG2 3.6Å; Y399-V403 HydrophobicContact CD2-CG2 3.85Å; Y399-V403 HydrophobicContact CE1-CB 3.79Å; Y399-V403 HydrophobicContact CE1-CG1 3.77Å; Y399-V403 HydrophobicContact CE1-CG2 3.61Å; Y399-V403 HydrophobicContact CE2-CG2 3.89Å; Y399-V403 HydrophobicContact CG-CG2 3.7Å; Y399-V403 VanDerWaalsContact O-CB 3.26Å; Y399-V403 WeakPolarHBondContact O-CB 3.42Å; Y399-V403 VanDerWaalsContact O-CG2 3.28Å; Y399-V403 WeakPolarHBondContact O-CG2 3.48Å; Y399-V403 PolarHBondContact O-N 2.93Å; Y399-V403 VanDerWaalsContact O-N 3.1Å; Y399-R419 HydrophobicContact CE2-CG 4.16Å; Y399-R419 PolarHBondContact OH-NE 3.34Å; Y399-R419 VanDerWaalsContact OH-NE 3.12Å; Y399-V422 HydrophobicContact CD2-CG1 4.42Å; Y399-V422 HydrophobicContact CD2-CG2 4.31Å
400A96.5Very high91.7Very high3 Ų345.3 Ų45.33%0.02524%0.238CC..Hα-helixtrans-60.1-34.1179.700000112.6L365 R366 I371 L396 S398L365-A400 HydrophobicContact CB-CB 3.79Å; R366-A400 HydrophobicContact CG-CB 4.44Å; R366-A400 PolarHBondContact NE-O 2.9Å; R366-A400 PolarHBondContact NH2-O 2.77Å; I371-A400 HydrophobicContact CD1-CB 3.6Å; L396-A400 WeakPolarHBondContact O-CB 3.15Å; L396-A400 PolarHBondContact O-N 2.82Å; S398-A400 PolarHBondContact O-N 3.45Å
401A95.1Very high90.7Very high52 Ų5246.8 Ų46.843%0.4325%0.249SC..Hα-helixtrans-77.4-43.5-177.300000113.9Y397 S398 Y399 P466Y397-A401 WeakPolarHBondContact O-CB 3.37Å; Y397-A401 PolarHBondContact O-N 2.86Å; S398-A401 PolarHBondContact O-N 3.02Å; S398-A401 VanDerWaalsContact O-N 3.14Å; Y399-A401 PolarHBondContact O-N 3.45Å; A401-P466 HydrophobicContact CB-CB 3.7Å; A401-P466 HydrophobicContact CB-CG 3.81Å
402V95.5Very high89.3Confident27 Ų2748.1 Ų48.116%0.16426%0.255CS..Hα-helixtrans-109.5-15.7-167.7-50.60000115.1S398 V404 E421 V422 A425S398-V402 WeakPolarHBondContact O-CG2 3.48Å; S398-V402 PolarHBondContact O-N 2.71Å; V402-V404 PolarHBondContact O-N 2.87Å; V402-E421 HydrophobicContact CB-CB 4.13Å; V402-E421 HydrophobicContact CG2-CB 3.94Å; V402-V422 HydrophobicContact CG2-CB 4.3Å; V402-V422 HydrophobicContact CG2-CG2 3.66Å; V402-A425 HydrophobicContact CG1-CB 3.75Å; V402-A425 HydrophobicContact CG2-CB 4.4Å
403V95.1Very high88.4Confident0 Ų055.4 Ų55.40%028%0.281CS..  trans-71.7127.8-178.1171.50000111.1V362 R366 Y399 E405 I418 R419 V422V362-V403 HydrophobicContact CG2-CB 4.28Å; V362-V403 HydrophobicContact CG2-CG1 4.49Å; R366-V403 PolarHBondContact NH2-O 3.31Å; Y399-V403 HydrophobicContact CD1-CB 3.98Å; Y399-V403 HydrophobicContact CD1-CG1 4.46Å; Y399-V403 HydrophobicContact CD1-CG2 3.6Å; Y399-V403 HydrophobicContact CD2-CG2 3.85Å; Y399-V403 HydrophobicContact CE1-CB 3.79Å; Y399-V403 HydrophobicContact CE1-CG1 3.77Å; Y399-V403 HydrophobicContact CE1-CG2 3.61Å; Y399-V403 HydrophobicContact CE2-CG2 3.89Å; Y399-V403 HydrophobicContact CG-CG2 3.7Å; Y399-V403 VanDerWaalsContact O-CB 3.26Å; Y399-V403 WeakPolarHBondContact O-CB 3.42Å; Y399-V403 VanDerWaalsContact O-CG2 3.28Å; Y399-V403 WeakPolarHBondContact O-CG2 3.48Å; Y399-V403 PolarHBondContact O-N 2.93Å; Y399-V403 VanDerWaalsContact O-N 3.1Å; V403-E405 HydrophobicContact CG1-CG 4.27Å; V403-I418 WeakPolarHBondContact CA-O 3.49Å; V403-R419 HydrophobicContact CG1-CG 4.37Å; V403-R419 HydrophobicContact CG2-CB 4.35Å; V403-R419 HydrophobicContact CG2-CG 4.07Å; V403-V422 HydrophobicContact CG2-CG2 3.42Å; V403-V422 VanDerWaalsContact CG2-CG2 3.42Å
404V90.7Very high87.6Confident83 Ų8358.4 Ų58.450%0.50329%0.292SS..EExtended strand (participates in β ladder)trans-107.7129.8175.9-176.80000108.9V402 I418V402-V404 PolarHBondContact O-N 2.87Å; V404-I418 HydrophobicContact CB-CB 4.5Å; V404-I418 PolarHBondContact N-O 3.47Å; V404-I418 PolarHBondContact O-N 3.45Å
405E89.6Confident87Confident30 Ų3063.6 Ų63.614%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-115.5131.3176-63.2-175.5178.400109.3V362 V403 R414 S416V362-E405 HydrophobicContact CB-CG 4.36Å; V362-E405 VanDerWaalsContact CB-OE1 3.28Å; V362-E405 WeakPolarHBondContact CB-OE1 3Å; V362-E405 VanDerWaalsContact CG1-CD 3.48Å; V362-E405 HydrophobicContact CG1-CG 3.85Å; V362-E405 PolarHBondContact N-OE1 2.8Å; V362-E405 PolarHBondContact N-OE2 3.23Å; V403-E405 HydrophobicContact CG1-CG 4.27Å; E405-R414 IonicContact OE1-CZ 3.18Å; E405-R414 VanDerWaalsContact OE1-CZ 3.31Å; E405-R414 IonicContact OE1-NE 3.31Å; E405-R414 PolarHBondContact OE1-NE 3.42Å; E405-R414 IonicContact OE1-NH2 2.77Å; E405-R414 PolarHBondContact OE1-NH2 3.37Å; E405-R414 IonicContact OE2-CZ 2.67Å; E405-R414 IonicContact OE2-NE 2.8Å; E405-R414 PolarHBondContact OE2-NE 2.75Å; E405-R414 VanDerWaalsContact OE2-NE 3.07Å; E405-R414 IonicContact OE2-NH2 2.88Å; E405-R414 PolarHBondContact OE2-NH2 3.38Å; E405-S416 WeakPolarHBondContact CA-O 3.31Å
406E83.8Confident86.4Confident108 Ų10864 Ų6451%0.50533%0.325SS..EExtended strand (participates in β ladder)trans-96.8125.3166.7-64.1175.9155.300108.3I415 S416E406-I415 HydrophobicContact CB-CB 4.3Å; E406-I415 PolarHBondContact O-N 3.33Å; E406-S416 VanDerWaalsContact CB-OG 3.3Å; E406-S416 WeakPolarHBondContact CB-OG 3.19Å; E406-S416 VanDerWaalsContact CG-OG 3.28Å; E406-S416 WeakPolarHBondContact CG-OG 3.48Å; E406-S416 PolarHBondContact N-O 3.38Å; E406-S416 VanDerWaalsContact N-O 3.11Å; E406-S416 PolarHBondContact O-N 3.42Å; E406-S416 PolarHBondContact OE2-OG 3.31Å
407I79.6Confident86.1Confident87 Ų8765.8 Ų65.845%0.44634%0.337SS..EExtended strand (participates in β ladder)trans-116.2131.8-178.4-56.7174.4000108.1H409I407-H409 PolarHBondContact O-N 2.9Å
408E78.5Confident85.7Confident80 Ų8069.4 Ų69.437%0.37436%0.356SS..  trans-69.8117.3173.2-170.5175-149.400109.8T410 T411 E412 R413 I415E408-T410 WeakPolarHBondContact CG-OG1 3.21Å; E408-T410 PolarHBondContact O-N 3.4Å; E408-T410 VanDerWaalsContact O-N 3.15Å; E408-T411 PolarHBondContact O-N 3.37Å; E408-T411 WeakPolarHBondContact OE2-CB 3.38Å; E408-T411 VanDerWaalsContact OE2-CG2 3.27Å; E408-T411 WeakPolarHBondContact OE2-CG2 3.45Å; E408-T411 PolarHBondContact OE2-OG1 3.33Å; E408-E412 VanDerWaalsContact O-CA 3.24Å; E408-E412 WeakPolarHBondContact O-CA 3.39Å; E408-E412 PolarHBondContact O-N 3.44Å; E408-R413 PolarHBondContact N-O 3.43Å; E408-I415 HydrophobicContact CB-CD1 3.79Å; E408-I415 HydrophobicContact CB-CG1 3.87Å; E408-I415 HydrophobicContact CG-CD1 4.45Å
409H70.4Confident85.4Confident173 Ų17372.8 Ų72.880%0.80137%0.369SS*.THydrogen-bonded Turntrans-59.3-28.8-175.6-70.6-72.7000114.6I407I407-H409 PolarHBondContact O-N 2.9Å
410T73.4Confident85Confident120 Ų12078.4 Ų78.474%0.73640%0.404SS*.THydrogen-bonded Turntrans-85.8-37.7-174.750.20000112.9E408E408-T410 WeakPolarHBondContact CG-OG1 3.21Å; E408-T410 PolarHBondContact O-N 3.4Å; E408-T410 VanDerWaalsContact O-N 3.15Å
411T73.5Confident84.9Confident70 Ų7083.9 Ų83.943%0.42943%0.429SS..THydrogen-bonded Turntrans-106.4-8.6-175.268.60000113.2E408 R413E408-T411 PolarHBondContact O-N 3.37Å; E408-T411 WeakPolarHBondContact OE2-CB 3.38Å; E408-T411 VanDerWaalsContact OE2-CG2 3.27Å; E408-T411 WeakPolarHBondContact OE2-CG2 3.45Å; E408-T411 PolarHBondContact OE2-OG1 3.33Å; T411-R413 PolarHBondContact O-N 2.94Å; T411-R413 VanDerWaalsContact O-N 3.1Å; T411-R413 WeakPolarHBondContact OG1-CB 3.17Å; T411-R413 WeakPolarHBondContact OG1-CG 3.27Å; T411-R413 PolarHBondContact OG1-N 3Å
412E69.1Low85Confident110 Ų11081.6 Ų81.651%0.51441%0.41SS..  trans55.316.9-169.1-60.3-171.9152.800113.5R288 E408R288-E412 WeakPolarHBondContact CD-OE1 3.38Å; R288-E412 IonicContact CZ-OE1 2.88Å; R288-E412 IonicContact NE-OE1 3.37Å; R288-E412 PolarHBondContact NE-OE1 3.31Å; R288-E412 IonicContact NH2-OE1 2.82Å; E408-E412 VanDerWaalsContact O-CA 3.24Å; E408-E412 WeakPolarHBondContact O-CA 3.39Å; E408-E412 PolarHBondContact O-N 3.44Å
413R77.2Confident85.1Confident182 Ų18286 Ų8669%0.68743%0.432SS*.  trans-79.9137.2178-69.1-177.6172.8-143.2-3.5110.3E408 T411 I415E408-R413 PolarHBondContact N-O 3.43Å; T411-R413 PolarHBondContact O-N 2.94Å; T411-R413 VanDerWaalsContact O-N 3.1Å; T411-R413 WeakPolarHBondContact OG1-CB 3.17Å; T411-R413 WeakPolarHBondContact OG1-CG 3.27Å; T411-R413 PolarHBondContact OG1-N 3Å; R413-I415 PolarHBondContact O-N 2.82Å
414R82.8Confident85.2Confident72 Ų7291.7 Ų91.727%0.27246%0.459SS..EExtended strand (participates in β ladder)trans-66.8121.4170.2-167.1-172.5-66.2146.7-18109.6P359 P360 E405 S416P359-R414 PolarHBondContact O-NH1 3.11Å; P359-R414 PolarHBondContact O-NH2 2.93Å; P360-R414 PolarHBondContact O-NH2 2.97Å; E405-R414 IonicContact OE1-CZ 3.18Å; E405-R414 VanDerWaalsContact OE1-CZ 3.31Å; E405-R414 IonicContact OE1-NE 3.31Å; E405-R414 PolarHBondContact OE1-NE 3.42Å; E405-R414 IonicContact OE1-NH2 2.77Å; E405-R414 PolarHBondContact OE1-NH2 3.37Å; E405-R414 IonicContact OE2-CZ 2.67Å; E405-R414 IonicContact OE2-NE 2.8Å; E405-R414 PolarHBondContact OE2-NE 2.75Å; E405-R414 VanDerWaalsContact OE2-NE 3.07Å; E405-R414 IonicContact OE2-NH2 2.88Å; E405-R414 PolarHBondContact OE2-NH2 3.38Å; R414-S416 WeakPolarHBondContact CG-O 3.45Å
415I84.1Confident85.5Confident109 Ų10988 Ų8856%0.55944%0.437SS*.EExtended strand (participates in β ladder)trans-84.8-46.9176-57.8170.5000109.5E406 E408 R413E406-I415 HydrophobicContact CB-CB 4.3Å; E406-I415 PolarHBondContact O-N 3.33Å; E408-I415 HydrophobicContact CB-CD1 3.79Å; E408-I415 HydrophobicContact CB-CG1 3.87Å; E408-I415 HydrophobicContact CG-CD1 4.45Å; R413-I415 PolarHBondContact O-N 2.82Å
416S87.4Confident85.9Confident33 Ų3388.1 Ų88.123%0.23144%0.437CS..EExtended strand (participates in β ladder)trans-145.5156.4-176.375.50000111.8E405 E406 R414E405-S416 WeakPolarHBondContact CA-O 3.31Å; E406-S416 VanDerWaalsContact CB-OG 3.3Å; E406-S416 WeakPolarHBondContact CB-OG 3.19Å; E406-S416 VanDerWaalsContact CG-OG 3.28Å; E406-S416 WeakPolarHBondContact CG-OG 3.48Å; E406-S416 PolarHBondContact N-O 3.38Å; E406-S416 VanDerWaalsContact N-O 3.11Å; E406-S416 PolarHBondContact O-N 3.42Å; E406-S416 PolarHBondContact OE2-OG 3.31Å; R414-S416 WeakPolarHBondContact CG-O 3.45Å
417C90.3Very high86.6Confident37 Ų3788.8 Ų88.825%0.2544%0.435CS..EExtended strand (participates in β ladder)trans-140.5105.7178.7-172.80000108.5R419C417-R419 PolarHBondContact SG-NE 2.89Å
418I90.2Very high87.4Confident82 Ų8285.2 Ų85.242%0.42142%0.416SS..EExtended strand (participates in β ladder)trans-94115.9-178.5-57.2175000108.5V403 V404 T420V403-I418 WeakPolarHBondContact CA-O 3.49Å; V404-I418 HydrophobicContact CB-CB 4.5Å; V404-I418 PolarHBondContact N-O 3.47Å; V404-I418 PolarHBondContact O-N 3.45Å; I418-T420 HydrophobicContact CG2-CG2 4.5Å
419R92Very high88.4Confident71 Ų7181.4 Ų81.427%0.26840%0.398SS..  trans-119.112.9-178.5-52.2-178.7-165164.637.2113.9Y354 G356 D357 P359 Y399 V403 C417 E421 V422Y354-R419 PolarHBondContact O-NH1 2.93Å; G356-R419 PolarHBondContact O-NH1 3.31Å; D357-R419 PolarHBondContact O-NH2 3.32Å; P359-R419 VanDerWaalsContact CG-CZ 3.41Å; Y399-R419 HydrophobicContact CE2-CG 4.16Å; Y399-R419 PolarHBondContact OH-NE 3.34Å; Y399-R419 VanDerWaalsContact OH-NE 3.12Å; V403-R419 HydrophobicContact CG1-CG 4.37Å; V403-R419 HydrophobicContact CG2-CB 4.35Å; V403-R419 HydrophobicContact CG2-CG 4.07Å; C417-R419 PolarHBondContact SG-NE 2.89Å; R419-E421 VanDerWaalsContact C-N 3.31Å; R419-E421 PolarHBondContact O-N 2.9Å; R419-V422 HydrophobicContact CB-CG2 4.08Å; R419-V422 WeakPolarHBondContact O-CB 3.32Å; R419-V422 WeakPolarHBondContact O-CG2 3.39Å; R419-V422 PolarHBondContact O-N 2.71Å
420T91.3Very high89.7Confident118 Ų11874.7 Ų74.772%0.72437%0.368SS*.THydrogen-bonded Turntrans-64.3-30.8-169.447.40000114.1I418I418-T420 HydrophobicContact CG2-CG2 4.5Å
421E94.2Very high90.9Very high117 Ų11771.5 Ų71.555%0.54735%0.345SS..THydrogen-bonded Turntrans-89.7-4.8-176.9-63.5-177.6-169.800113.5V402 R419 D423 E424 A425V402-E421 HydrophobicContact CB-CB 4.13Å; V402-E421 HydrophobicContact CG2-CB 3.94Å; R419-E421 VanDerWaalsContact C-N 3.31Å; R419-E421 PolarHBondContact O-N 2.9Å; E421-D423 PolarHBondContact O-N 3.43Å; E421-E424 PolarHBondContact O-N 3.4Å; E421-A425 WeakPolarHBondContact O-CB 3.45Å; E421-A425 PolarHBondContact O-N 3.21Å
422V96.4Very high92Very high5 Ų568.2 Ų68.23%0.0333%0.325CS..Hα-helixtrans-62.4-44.6-171.81770000111.6Y395 Y399 V402 V403 R419 A425 K426Y395-V422 HydrophobicContact CD2-CG1 4Å; Y395-V422 HydrophobicContact CE2-CG1 3.76Å; Y399-V422 HydrophobicContact CD2-CG1 4.42Å; Y399-V422 HydrophobicContact CD2-CG2 4.31Å; V402-V422 HydrophobicContact CG2-CB 4.3Å; V402-V422 HydrophobicContact CG2-CG2 3.66Å; V403-V422 HydrophobicContact CG2-CG2 3.42Å; V403-V422 VanDerWaalsContact CG2-CG2 3.42Å; R419-V422 HydrophobicContact CB-CG2 4.08Å; R419-V422 WeakPolarHBondContact O-CB 3.32Å; R419-V422 WeakPolarHBondContact O-CG2 3.39Å; R419-V422 PolarHBondContact O-N 2.71Å; V422-A425 PolarHBondContact O-N 3.02Å; V422-K426 WeakPolarHBondContact O-CB 3.48Å; V422-K426 PolarHBondContact O-N 3.3Å
423D96.7Very high93.4Very high119 Ų11963 Ų6364%0.63630%0.3SS*.Hα-helixtrans-68.6-37.4-178.6-69.9-35.4000112.2E421 R427E421-D423 PolarHBondContact O-N 3.43Å; D423-R427 WeakPolarHBondContact O-CB 3.3Å; D423-R427 PolarHBondContact O-N 2.94Å
424E97.1Very high94.2Very high120 Ų12059.3 Ų59.356%0.56129%0.286SS*.Hα-helixtrans-67-48.6175.8-178.3170-162.300111.1E421 K426 R427 E428E421-E424 PolarHBondContact O-N 3.4Å; E424-K426 VanDerWaalsContact C-N 3.33Å; E424-K426 PolarHBondContact O-N 3.5Å; E424-R427 WeakPolarHBondContact O-CB 3.3Å; E424-R427 PolarHBondContact O-N 3.29Å; E424-R427 IonicContact OE1-NH2 3.28Å; E424-E428 PolarHBondContact O-N 2.78Å; E424-E428 VanDerWaalsContact O-N 3.1Å
425A97.5Very high94.8Very high5 Ų555.9 Ų55.94%0.04127%0.273CS..Hα-helixtrans-60.9-42.4176.500000111.6S398 V402 E421 V422 R427 E428 V429S398-A425 VanDerWaalsContact OG-C 3.28Å; S398-A425 PolarHBondContact OG-O 2.97Å; V402-A425 HydrophobicContact CG1-CB 3.75Å; V402-A425 HydrophobicContact CG2-CB 4.4Å; E421-A425 WeakPolarHBondContact O-CB 3.45Å; E421-A425 PolarHBondContact O-N 3.21Å; V422-A425 PolarHBondContact O-N 3.02Å; A425-R427 VanDerWaalsContact C-N 3.34Å; A425-R427 PolarHBondContact O-N 2.94Å; A425-E428 PolarHBondContact O-N 3.36Å; A425-V429 WeakPolarHBondContact O-CB 3.19Å; A425-V429 VanDerWaalsContact O-CG2 3.28Å; A425-V429 WeakPolarHBondContact O-CG2 3.31Å; A425-V429 PolarHBondContact O-N 3.28Å
426K98.2Very high95.3Very high33 Ų3350.7 Ų50.714%0.14325%0.247CC..Hα-helixtrans-58.3-43.8174.2-177.9-176.3173.9-173.30111.9E391 A394 Y395 S398 V422 E424 E428 V429 L430E391-K426 WeakPolarHBondContact O-CE 3.41Å; E391-K426 WeakPolarHBondContact OE2-CE 3.44Å; E391-K426 IonicContact OE2-NZ 3.59Å; E391-K426 PolarHBondContact OE2-NZ 3.17Å; A394-K426 HydrophobicContact CB-CG 4.1Å; Y395-K426 HydrophobicContact CD2-CD 4.26Å; S398-K426 WeakPolarHBondContact OG-CA 3.49Å; S398-K426 PolarHBondContact OG-N 3.49Å; V422-K426 WeakPolarHBondContact O-CB 3.48Å; V422-K426 PolarHBondContact O-N 3.3Å; E424-K426 VanDerWaalsContact C-N 3.33Å; E424-K426 PolarHBondContact O-N 3.5Å; K426-E428 PolarHBondContact O-N 2.92Å; K426-V429 PolarHBondContact O-N 2.96Å; K426-L430 HydrophobicContact CG-CD1 4.07Å; K426-L430 HydrophobicContact CG-CG 4.42Å; K426-L430 WeakPolarHBondContact O-CB 3.17Å; K426-L430 WeakPolarHBondContact O-CG 3.44Å; K426-L430 PolarHBondContact O-N 2.93Å
427R98.2Very high95.5Very high121 Ų12150.7 Ų50.746%0.45724%0.242SC..Hα-helixtrans-60-44.4176.6-177.7-177.859.469.75.8111.8D423 E424 A425 E431D423-R427 WeakPolarHBondContact O-CB 3.3Å; D423-R427 PolarHBondContact O-N 2.94Å; E424-R427 WeakPolarHBondContact O-CB 3.3Å; E424-R427 PolarHBondContact O-N 3.29Å; E424-R427 IonicContact OE1-NH2 3.28Å; A425-R427 VanDerWaalsContact C-N 3.34Å; A425-R427 PolarHBondContact O-N 2.94Å; R427-E431 PolarHBondContact O-N 2.99Å; R427-E431 VanDerWaalsContact O-N 3.13Å
428E98.2Very high95.5Very high13 Ų1351.6 Ų51.66%0.06124%0.242CC..Hα-helixtrans-67-40.5177.2-61.8-58.3156.900112.2E424 A425 K426 E431 A432 R460 C461 C464 V467E424-E428 PolarHBondContact O-N 2.78Å; E424-E428 VanDerWaalsContact O-N 3.1Å; A425-E428 PolarHBondContact O-N 3.36Å; K426-E428 PolarHBondContact O-N 2.92Å; E428-E431 PolarHBondContact O-N 3.39Å; E428-A432 WeakPolarHBondContact O-CB 3.44Å; E428-A432 PolarHBondContact O-N 3.22Å; E428-R460 VanDerWaalsContact CD-NH1 3.28Å; E428-R460 IonicContact OE1-CZ 3.61Å; E428-R460 IonicContact OE1-NH1 3.84Å; E428-R460 PolarHBondContact OE1-NH1 2.65Å; E428-R460 IonicContact OE1-NH2 3.09Å; E428-R460 PolarHBondContact OE1-NH2 3.47Å; E428-R460 IonicContact OE2-CZ 3.56Å; E428-R460 VanDerWaalsContact OE2-CZ 3.28Å; E428-R460 IonicContact OE2-NH1 2.9Å; E428-R460 PolarHBondContact OE2-NH1 3.03Å; E428-R460 VanDerWaalsContact OE2-NH1 3.09Å; E428-R460 IonicContact OE2-NH2 2.73Å; E428-R460 PolarHBondContact OE2-NH2 3.47Å; E428-C461 PolarHBondContact OE2-SG 3.14Å; E428-C464 HydrophobicContact CB-CB 4.12Å; E428-C464 HydrophobicContact CG-CB 4.45Å; E428-V467 HydrophobicContact CB-CG2 4.19Å
429V98.4Very high95.5Very high0 Ų047.7 Ų47.70%022%0.222CC..Hα-helixtrans-61.5-45.9175.6165.90000111.6L378 F379 A394 Y397 A425 K426 S433 P466 V467L378-V429 HydrophobicContact CD1-CG1 3.95Å; F379-V429 HydrophobicContact CE2-CG1 4.28Å; F379-V429 HydrophobicContact CZ-CG1 3.98Å; A394-V429 HydrophobicContact CB-CG1 3.83Å; Y397-V429 HydrophobicContact CD1-CG1 4.12Å; Y397-V429 HydrophobicContact CD1-CG2 4.01Å; Y397-V429 HydrophobicContact CE1-CG2 4.32Å; A425-V429 WeakPolarHBondContact O-CB 3.19Å; A425-V429 VanDerWaalsContact O-CG2 3.28Å; A425-V429 WeakPolarHBondContact O-CG2 3.31Å; A425-V429 PolarHBondContact O-N 3.28Å; K426-V429 PolarHBondContact O-N 2.96Å; V429-S433 WeakPolarHBondContact O-CB 3.47Å; V429-S433 PolarHBondContact O-N 3.18Å; V429-P466 HydrophobicContact CG2-CG 4.46Å; V429-V467 HydrophobicContact CG2-CG2 3.82Å
430L98.1Very high95.2Very high31 Ų3145.6 Ų45.616%0.16222%0.216CC..Hα-helixtrans-64.1-43178.7-74171.6000112L390 E391 A394 K426 S433 R434L390-L430 HydrophobicContact CD2-CD2 3.99Å; L390-L430 HydrophobicContact CG-CD2 3.73Å; E391-L430 WeakPolarHBondContact OE1-CD1 3.47Å; A394-L430 HydrophobicContact CB-CD2 3.54Å; A394-L430 HydrophobicContact CB-CG 3.77Å; K426-L430 HydrophobicContact CG-CD1 4.07Å; K426-L430 HydrophobicContact CG-CG 4.42Å; K426-L430 WeakPolarHBondContact O-CB 3.17Å; K426-L430 WeakPolarHBondContact O-CG 3.44Å; K426-L430 PolarHBondContact O-N 2.93Å; L430-S433 PolarHBondContact O-N 3.34Å; L430-R434 WeakPolarHBondContact O-CB 3.25Å; L430-R434 PolarHBondContact O-N 3.07Å
431E97.7Very high94.9Very high54 Ų5445.2 Ų45.225%0.25221%0.21SC..Hα-helixtrans-67.2-45.6179.4179.256.7-169.700111.8R427 E428 R434 I435R427-E431 PolarHBondContact O-N 2.99Å; R427-E431 VanDerWaalsContact O-N 3.13Å; E428-E431 PolarHBondContact O-N 3.39Å; E431-R434 WeakPolarHBondContact O-CB 3.28Å; E431-R434 PolarHBondContact O-N 3.14Å; E431-R434 IonicContact OE1-CZ 3.02Å; E431-R434 IonicContact OE1-NE 2.65Å; E431-R434 IonicContact OE1-NH2 2.71Å; E431-R434 PolarHBondContact OE1-NH2 3.19Å; E431-R434 IonicContact OE2-CZ 2.77Å; E431-R434 IonicContact OE2-NE 2.94Å; E431-R434 PolarHBondContact OE2-NE 3.19Å; E431-R434 IonicContact OE2-NH2 3.87Å; E431-I435 HydrophobicContact CG-CD1 4.39Å; E431-I435 WeakPolarHBondContact O-CG1 3.39Å; E431-I435 PolarHBondContact O-N 3.33Å; E431-I435 VanDerWaalsContact O-N 3.11Å
432A97.8Very high94.4Very high0 Ų040.3 Ų40.30%019%0.187CC..Hα-helixtrans-65-40.6175.900000112.1F379 E428 R434 I435 C436 L458 C461 V467F379-A432 HydrophobicContact CE1-CB 3.77Å; E428-A432 WeakPolarHBondContact O-CB 3.44Å; E428-A432 PolarHBondContact O-N 3.22Å; A432-R434 VanDerWaalsContact C-N 3.34Å; A432-R434 PolarHBondContact O-N 3.26Å; A432-I435 PolarHBondContact O-N 3.46Å; A432-C436 WeakPolarHBondContact O-CB 3.43Å; A432-C436 PolarHBondContact O-N 2.98Å; A432-C436 PolarHBondContact O-SG 3.25Å; A432-C436 VanDerWaalsContact O-SG 3.42Å; A432-L458 HydrophobicContact CB-CD1 4.01Å; A432-C461 HydrophobicContact CB-CB 3.9Å; A432-V467 HydrophobicContact CB-CG1 3.35Å; A432-V467 HydrophobicContact CB-CG2 4.39Å
433S97Very high93.5Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-58.5-45.1174.1172.80000111.5L378 V429 L430 I435 C436 R437L378-S433 WeakPolarHBondContact O-CB 3.35Å; L378-S433 PolarHBondContact O-OG 3.03Å; V429-S433 WeakPolarHBondContact O-CB 3.47Å; V429-S433 PolarHBondContact O-N 3.18Å; L430-S433 PolarHBondContact O-N 3.34Å; S433-I435 VanDerWaalsContact C-N 3.33Å; S433-I435 PolarHBondContact O-N 3.08Å; S433-C436 PolarHBondContact O-N 3.46Å; S433-R437 VanDerWaalsContact O-CB 3.27Å; S433-R437 WeakPolarHBondContact O-CB 3.47Å; S433-R437 VanDerWaalsContact O-CG 3.26Å; S433-R437 WeakPolarHBondContact O-CG 3.16Å; S433-R437 PolarHBondContact O-N 3.47Å
434R95.1Very high92.4Very high105 Ų10541.1 Ų41.140%0.39621%0.208SC..Hα-helixtrans-56.5-47.2175.3-172.6-167.267.869.9-0.8111.2L430 E431 A432 Q438L430-R434 WeakPolarHBondContact O-CB 3.25Å; L430-R434 PolarHBondContact O-N 3.07Å; E431-R434 WeakPolarHBondContact O-CB 3.28Å; E431-R434 PolarHBondContact O-N 3.14Å; E431-R434 IonicContact OE1-CZ 3.02Å; E431-R434 IonicContact OE1-NE 2.65Å; E431-R434 IonicContact OE1-NH2 2.71Å; E431-R434 PolarHBondContact OE1-NH2 3.19Å; E431-R434 IonicContact OE2-CZ 2.77Å; E431-R434 IonicContact OE2-NE 2.94Å; E431-R434 PolarHBondContact OE2-NE 3.19Å; E431-R434 IonicContact OE2-NH2 3.87Å; A432-R434 VanDerWaalsContact C-N 3.34Å; A432-R434 PolarHBondContact O-N 3.26Å; R434-Q438 VanDerWaalsContact NH1-OE1 3.14Å; R434-Q438 VanDerWaalsContact O-CB 3.31Å; R434-Q438 WeakPolarHBondContact O-CB 3.39Å; R434-Q438 PolarHBondContact O-N 3.29Å
435I95.3Very high91Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-65-51.4179.4-62.5168000110.8E431 A432 S433 R437 Q438 W439 D454 L458E431-I435 HydrophobicContact CG-CD1 4.39Å; E431-I435 WeakPolarHBondContact O-CG1 3.39Å; E431-I435 PolarHBondContact O-N 3.33Å; E431-I435 VanDerWaalsContact O-N 3.11Å; A432-I435 PolarHBondContact O-N 3.46Å; S433-I435 VanDerWaalsContact C-N 3.33Å; S433-I435 PolarHBondContact O-N 3.08Å; I435-R437 PolarHBondContact O-N 3.03Å; I435-Q438 WeakPolarHBondContact O-CB 3.33Å; I435-Q438 PolarHBondContact O-N 3.3Å; I435-W439 HydrophobicContact CG2-CD2 4.28Å; I435-W439 HydrophobicContact CG2-CG 4.36Å; I435-W439 HydrophobicContact CG2-CZ2 4.17Å; I435-W439 PolarHBondContact O-N 3.06Å; I435-D454 HydrophobicContact CG1-CB 4.43Å; I435-D454 HydrophobicContact CG2-CB 4.02Å; I435-L458 HydrophobicContact CD1-CB 4.06Å; I435-L458 HydrophobicContact CG2-CB 4.23Å; I435-L458 HydrophobicContact CG2-CD2 4.24Å
436C94.6Very high89.7Confident0 Ų041.8 Ų41.80%023%0.23CC..Hα-helixtrans-58.4-45179.6-72.70000112.2F379 A432 S433 Q438 W439 N440 F474F379-C436 HydrophobicContact CD1-CB 4.32Å; A432-C436 WeakPolarHBondContact O-CB 3.43Å; A432-C436 PolarHBondContact O-N 2.98Å; A432-C436 PolarHBondContact O-SG 3.25Å; A432-C436 VanDerWaalsContact O-SG 3.42Å; S433-C436 PolarHBondContact O-N 3.46Å; C436-Q438 PolarHBondContact O-N 2.82Å; C436-W439 WeakPolarHBondContact O-CB 3.45Å; C436-W439 PolarHBondContact O-N 3.06Å; C436-N440 WeakPolarHBondContact O-CB 3.48Å; C436-N440 PolarHBondContact O-N 2.9Å; C436-F474 HydrophobicContact CB-CB 4.47Å; C436-F474 HydrophobicContact CB-CD1 4.2Å; C436-F474 HydrophobicContact CB-CD2 3.78Å; C436-F474 HydrophobicContact CB-CE1 4.38Å; C436-F474 HydrophobicContact CB-CE2 3.98Å; C436-F474 HydrophobicContact CB-CG 3.88Å; C436-F474 HydrophobicContact CB-CZ 4.26Å; C436-F474 VanDerWaalsContact O-CE2 3.23Å; C436-F474 WeakPolarHBondContact O-CE2 3.41Å; C436-F474 VanDerWaalsContact SG-CD1 3.54Å
437R91.3Very high88.7Confident33 Ų3340.3 Ų40.313%0.12522%0.224CC..Hα-helixtrans-64.7-39.3176.5-74.1173.3153.5-83.6-8.9112.4A377 L378 D383 L385 S433 I435 W439 N440 N441A377-R437 PolarHBondContact O-NH2 3.28Å; L378-R437 PolarHBondContact O-NE 3Å; D383-R437 PolarHBondContact O-NH1 3Å; D383-R437 PolarHBondContact O-NH2 3.14Å; L385-R437 VanDerWaalsContact CG-NH2 3.31Å; S433-R437 VanDerWaalsContact O-CB 3.27Å; S433-R437 WeakPolarHBondContact O-CB 3.47Å; S433-R437 VanDerWaalsContact O-CG 3.26Å; S433-R437 WeakPolarHBondContact O-CG 3.16Å; S433-R437 PolarHBondContact O-N 3.47Å; I435-R437 PolarHBondContact O-N 3.03Å; R437-W439 VanDerWaalsContact C-N 3.35Å; R437-N440 PolarHBondContact O-N 3.22Å; R437-N441 PolarHBondContact O-N 2.86Å; R437-N441 PolarHBondContact O-ND2 2.88Å
438Q90.1Very high87.7Confident57 Ų5735.3 Ų35.327%0.26621%0.208SC..Hα-helixtrans-61.6-47.4173.5-167.6-172.4-42.300109.7R434 I435 C436 N440 N441 M442 D454R434-Q438 VanDerWaalsContact NH1-OE1 3.14Å; R434-Q438 VanDerWaalsContact O-CB 3.31Å; R434-Q438 WeakPolarHBondContact O-CB 3.39Å; R434-Q438 PolarHBondContact O-N 3.29Å; I435-Q438 WeakPolarHBondContact O-CB 3.33Å; I435-Q438 PolarHBondContact O-N 3.3Å; C436-Q438 PolarHBondContact O-N 2.82Å; Q438-N440 VanDerWaalsContact C-N 3.34Å; Q438-N440 PolarHBondContact O-N 2.76Å; Q438-N441 PolarHBondContact O-N 3.19Å; Q438-M442 HydrophobicContact CB-CE 4.28Å; Q438-M442 HydrophobicContact CG-CE 3.69Å; Q438-M442 VanDerWaalsContact O-CG 3.31Å; Q438-M442 WeakPolarHBondContact O-CG 3.41Å; Q438-M442 PolarHBondContact O-N 3.23Å; Q438-D454 PolarHBondContact NE2-OD2 2.89Å
439W90.7Very high87Confident0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-62-39.8178.7-74.126.2000112I435 C436 R437 N441 M442 A451 L455 L458 F474 K482 P495 Y496 V499I435-W439 HydrophobicContact CG2-CD2 4.28Å; I435-W439 HydrophobicContact CG2-CG 4.36Å; I435-W439 HydrophobicContact CG2-CZ2 4.17Å; I435-W439 PolarHBondContact O-N 3.06Å; C436-W439 WeakPolarHBondContact O-CB 3.45Å; C436-W439 PolarHBondContact O-N 3.06Å; R437-W439 VanDerWaalsContact C-N 3.35Å; W439-N441 VanDerWaalsContact C-N 3.3Å; W439-N441 PolarHBondContact O-N 3.23Å; W439-M442 HydrophobicContact CG-CE 4.12Å; W439-M442 PolarHBondContact O-N 3.37Å; W439-A451 HydrophobicContact CD2-CB 4.27Å; W439-A451 HydrophobicContact CH2-CB 4.22Å; W439-A451 HydrophobicContact CZ2-CB 3.78Å; W439-A451 VanDerWaalsContact CZ2-O 3.28Å; W439-A451 WeakPolarHBondContact CZ2-O 3.48Å; W439-L455 HydrophobicContact CH2-CB 4.43Å; W439-L455 HydrophobicContact CH2-CD1 3.93Å; W439-L455 HydrophobicContact CZ2-CB 4.34Å; W439-L458 HydrophobicContact CE3-CD2 4.46Å; W439-L458 HydrophobicContact CH2-CD2 3.8Å; W439-L458 HydrophobicContact CZ2-CD2 4.23Å; W439-L458 HydrophobicContact CZ3-CD2 3.94Å; W439-F474 HydrophobicContact CB-CE2 4.26Å; W439-F474 HydrophobicContact CB-CZ 3.68Å; W439-F474 HydrophobicContact CD2-CZ 4.48Å; W439-F474 AromaticContact CE3-CE1 3.91Å; W439-F474 HydrophobicContact CE3-CE1 3.91Å; W439-F474 AromaticContact CE3-CZ 3.92Å; W439-F474 HydrophobicContact CE3-CZ 3.92Å; W439-F474 HydrophobicContact CG-CZ 4.44Å; W439-K482 WeakPolarHBondContact O-CE 3.17Å; W439-K482 PolarHBondContact O-NZ 3.48Å; W439-P495 HydrophobicContact CH2-CB 4.1Å; W439-P495 HydrophobicContact CZ3-CB 4.36Å; W439-Y496 HydrophobicContact CD2-CE1 4.33Å; W439-Y496 AromaticContact CE3-CD1 3.82Å; W439-Y496 HydrophobicContact CE3-CD1 3.82Å; W439-Y496 AromaticContact CE3-CE1 3.39Å; W439-Y496 HydrophobicContact CE3-CE1 3.39Å; W439-Y496 AromaticContact CZ3-CD1 3.9Å; W439-Y496 HydrophobicContact CZ3-CD1 3.9Å; W439-Y496 AromaticContact CZ3-CE1 3.93Å; W439-Y496 HydrophobicContact CZ3-CE1 3.93Å; W439-V499 HydrophobicContact CH2-CG2 4.24Å; W439-V499 HydrophobicContact CZ3-CG2 4.15Å
440N86.2Confident86.4Confident26 Ų2648.2 Ų48.214%0.13927%0.266CS..Hα-helixtrans-61.9-39177.5-156.218.7000111.7A380 S381 C436 R437 Q438 F474A380-N440 PolarHBondContact O-ND2 2.99Å; S381-N440 PolarHBondContact O-ND2 3.43Å; C436-N440 WeakPolarHBondContact O-CB 3.48Å; C436-N440 PolarHBondContact O-N 2.9Å; R437-N440 PolarHBondContact O-N 3.22Å; Q438-N440 VanDerWaalsContact C-N 3.34Å; Q438-N440 PolarHBondContact O-N 2.76Å; N440-F474 HydrophobicContact CB-CE2 4.32Å
441N84Confident85.9Confident111 Ų11146.8 Ų46.859%0.59426%0.258SS*.THydrogen-bonded Turntrans-84.6-2.2-179.4-68.8-46.4000114.8R437 Q438 W439R437-N441 PolarHBondContact O-N 2.86Å; R437-N441 PolarHBondContact O-ND2 2.88Å; Q438-N441 PolarHBondContact O-N 3.19Å; W439-N441 VanDerWaalsContact C-N 3.3Å; W439-N441 PolarHBondContact O-N 3.23Å
442M83.7Confident85.6Confident14 Ų1448.1 Ų48.17%0.06926%0.263CS..  trans-80.4135.7175.6-68.2177.3-146.800111.3Q438 W439 I447 R450 K482Q438-M442 HydrophobicContact CB-CE 4.28Å; Q438-M442 HydrophobicContact CG-CE 3.69Å; Q438-M442 VanDerWaalsContact O-CG 3.31Å; Q438-M442 WeakPolarHBondContact O-CG 3.41Å; Q438-M442 PolarHBondContact O-N 3.23Å; W439-M442 HydrophobicContact CG-CE 4.12Å; W439-M442 PolarHBondContact O-N 3.37Å; M442-I447 HydrophobicContact CB-CG1 3.82Å; M442-R450 HydrophobicContact CE-CB 4.01Å; M442-R450 HydrophobicContact SD-CB 3.71Å; M442-K482 PolarHBondContact O-NZ 3.26Å
443S77.3Confident85.4Confident103 Ų10355.6 Ų55.672%0.7229%0.291SS*.  trans-128.5153.4169.655.90000111.2
444G74.3Confident85.2Confident37 Ų3756.3 Ų56.338%0.38130%0.295SS..SBendtrans88.8179.1171.700000116.2G446 I447G444-G446 PolarHBondContact O-N 3.13Å; G444-I447 WeakPolarHBondContact O-CD1 3.41Å; G444-I447 WeakPolarHBondContact O-CG1 3.28Å; G444-I447 PolarHBondContact O-N 3.48Å; G444-I447 VanDerWaalsContact O-N 3.12Å
445S67Low85.2Confident109 Ų10951.8 Ų51.876%0.76228%0.279SS*.THydrogen-bonded Turntrans-61.6-18.4-168.458.70000115.6I447S445-I447 VanDerWaalsContact C-N 3.34Å
446G70.8Confident85.3Confident30 Ų3055.9 Ų55.931%0.30931%0.305SS..THydrogen-bonded Turntrans-81.8-1.8178.100000115.4G444 S448 R450G444-G446 PolarHBondContact O-N 3.13Å; G446-S448 VanDerWaalsContact C-N 3.32Å; G446-S448 PolarHBondContact O-N 2.9Å; G446-R450 PolarHBondContact O-N 2.96Å
447I76.5Confident85.5Confident3 Ų358.1 Ų58.12%0.01532%0.321CS..Hα-helixtrans-53-50.2179.9-71.6158.9000110.6M442 G444 S445 L449 R450 A451 D485 T492M442-I447 HydrophobicContact CB-CG1 3.82Å; G444-I447 WeakPolarHBondContact O-CD1 3.41Å; G444-I447 WeakPolarHBondContact O-CG1 3.28Å; G444-I447 PolarHBondContact O-N 3.48Å; G444-I447 VanDerWaalsContact O-N 3.12Å; S445-I447 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.31Å; I447-R450 PolarHBondContact O-N 3.45Å; I447-A451 VanDerWaalsContact O-CB 3.27Å; I447-A451 WeakPolarHBondContact O-CB 3.3Å; I447-A451 PolarHBondContact O-N 3.4Å; I447-D485 HydrophobicContact CD1-CB 4.12Å; I447-T492 HydrophobicContact CB-CG2 4.46Å
448S77.5Confident85.8Confident15 Ų1556.6 Ų56.611%0.10532%0.315CS..Hα-helixtrans-59.5-49.1-173.5-165.80000112.1G446 R450 A451 F452 D491G446-S448 VanDerWaalsContact C-N 3.32Å; G446-S448 PolarHBondContact O-N 2.9Å; S448-R450 PolarHBondContact O-N 3.01Å; S448-A451 PolarHBondContact O-N 2.76Å; S448-F452 WeakPolarHBondContact O-CB 3.32Å; S448-F452 WeakPolarHBondContact O-CD2 3.49Å; S448-F452 PolarHBondContact O-N 3.4Å; S448-F452 WeakPolarHBondContact OG-CD2 3.48Å; S448-F452 WeakPolarHBondContact OG-CE2 3.36Å; S448-D491 PolarHBondContact OG-O 3.33Å
449L84.3Confident86.1Confident141 Ų14155.5 Ų55.574%0.73831%0.311SS*.Hα-helixtrans-60.7-42.1179.6-69.8173.4000113.1I447 R453I447-L449 PolarHBondContact O-N 3.31Å; L449-R453 PolarHBondContact O-N 2.72Å
450R84.5Confident86.5Confident144 Ų14461.1 Ų61.154%0.54333%0.332SS..Hα-helixtrans-71.9-39.6178.8-67.9-178.5-175172.63.6111.5M442 G446 I447 S448 R453 D454M442-R450 HydrophobicContact CE-CB 4.01Å; M442-R450 HydrophobicContact SD-CB 3.71Å; G446-R450 PolarHBondContact O-N 2.96Å; I447-R450 PolarHBondContact O-N 3.45Å; S448-R450 PolarHBondContact O-N 3.01Å; R450-R453 WeakPolarHBondContact O-CB 3.38Å; R450-R453 PolarHBondContact O-N 3.26Å; R450-D454 PolarHBondContact O-N 2.96Å
451A88.4Confident87Confident0 Ų059.9 Ų59.90%033%0.326CS..Hα-helixtrans-61.3-47.7175.200000110.7W439 I447 S448 R453 D454 L455 P495W439-A451 HydrophobicContact CD2-CB 4.27Å; W439-A451 HydrophobicContact CH2-CB 4.22Å; W439-A451 HydrophobicContact CZ2-CB 3.78Å; W439-A451 VanDerWaalsContact CZ2-O 3.28Å; W439-A451 WeakPolarHBondContact CZ2-O 3.48Å; I447-A451 VanDerWaalsContact O-CB 3.27Å; I447-A451 WeakPolarHBondContact O-CB 3.3Å; I447-A451 PolarHBondContact O-N 3.4Å; S448-A451 PolarHBondContact O-N 2.76Å; A451-R453 PolarHBondContact O-N 3.47Å; A451-D454 PolarHBondContact O-N 3.12Å; A451-D454 VanDerWaalsContact O-N 3.12Å; A451-L455 VanDerWaalsContact O-CB 3.27Å; A451-L455 WeakPolarHBondContact O-CB 3.47Å; A451-L455 PolarHBondContact O-N 3.49Å; A451-P495 HydrophobicContact CB-CB 3.73Å; A451-P495 HydrophobicContact CB-CG 3.71Å
452F92.1Very high87.7Confident83 Ų8354.6 Ų54.636%0.36430%0.298SS..Hα-helixtrans-60.8-29.7177-81.2-62.1000114.1S448 L455 P456 K494 P495 I498S448-F452 WeakPolarHBondContact O-CB 3.32Å; S448-F452 WeakPolarHBondContact O-CD2 3.49Å; S448-F452 PolarHBondContact O-N 3.4Å; S448-F452 WeakPolarHBondContact OG-CD2 3.48Å; S448-F452 WeakPolarHBondContact OG-CE2 3.36Å; F452-L455 HydrophobicContact CD1-CD2 3.76Å; F452-L455 HydrophobicContact CE1-CD2 4.02Å; F452-P456 WeakPolarHBondContact O-CD 3.4Å; F452-K494 HydrophobicContact CZ-CB 4.09Å; F452-P495 HydrophobicContact CD2-CG 4.12Å; F452-P495 HydrophobicContact CE1-CG 4.3Å; F452-P495 HydrophobicContact CE2-CG 3.85Å; F452-P495 HydrophobicContact CG-CG 4.44Å; F452-P495 HydrophobicContact CZ-CG 3.93Å; F452-I498 HydrophobicContact CE1-CD1 3.77Å; F452-I498 HydrophobicContact CZ-CD1 4.41Å
453R92.6Very high88.2Confident157 Ų15758.5 Ų58.559%0.59233%0.326SS*.Hα-helixtrans-66-44.3174.3-174.1-166.268.1-166.5-4.4112L449 R450 A451L449-R453 PolarHBondContact O-N 2.72Å; R450-R453 WeakPolarHBondContact O-CB 3.38Å; R450-R453 PolarHBondContact O-N 3.26Å; A451-R453 PolarHBondContact O-N 3.47Å
454D93.7Very high89Confident14 Ų1454.8 Ų54.88%0.07530%0.3CS..Hα-helixtrans-88.7-15.7-174.9-58.8-23.3000111.8I435 Q438 R450 A451 S457 L458I435-D454 HydrophobicContact CG1-CB 4.43Å; I435-D454 HydrophobicContact CG2-CB 4.02Å; Q438-D454 PolarHBondContact NE2-OD2 2.89Å; R450-D454 PolarHBondContact O-N 2.96Å; A451-D454 PolarHBondContact O-N 3.12Å; A451-D454 VanDerWaalsContact O-N 3.12Å; D454-S457 WeakPolarHBondContact O-CB 3.36Å; D454-S457 PolarHBondContact O-N 3.13Å; D454-S457 VanDerWaalsContact O-N 3.12Å; D454-L458 PolarHBondContact O-N 3.44Å
455L95.6Very high89.9Confident11 Ų1161.3 Ų61.36%0.05831%0.313CS..Hα-helixtrans-53.4-48.8-176.4176.968.6000114W439 A451 F452 S457 L458 L459 I498 V499W439-L455 HydrophobicContact CH2-CB 4.43Å; W439-L455 HydrophobicContact CH2-CD1 3.93Å; W439-L455 HydrophobicContact CZ2-CB 4.34Å; A451-L455 VanDerWaalsContact O-CB 3.27Å; A451-L455 WeakPolarHBondContact O-CB 3.47Å; A451-L455 PolarHBondContact O-N 3.49Å; F452-L455 HydrophobicContact CD1-CD2 3.76Å; F452-L455 HydrophobicContact CE1-CD2 4.02Å; L455-S457 PolarHBondContact O-N 3.37Å; L455-L458 PolarHBondContact O-N 3.43Å; L455-L459 HydrophobicContact CD1-CD1 4.12Å; L455-L459 HydrophobicContact CD1-CD2 3.97Å; L455-L459 HydrophobicContact CD1-CG 3.89Å; L455-L459 HydrophobicContact CG-CD1 3.99Å; L455-L459 HydrophobicContact CG-CG 4.16Å; L455-L459 WeakPolarHBondContact O-CG 3.36Å; L455-L459 PolarHBondContact O-N 2.88Å; L455-I498 HydrophobicContact CD1-CG2 4.33Å; L455-I498 HydrophobicContact CD2-CB 4.45Å; L455-I498 HydrophobicContact CD2-CD1 3.93Å; L455-I498 HydrophobicContact CD2-CG2 4.16Å; L455-V499 HydrophobicContact CD1-CG2 3.8Å
456P97.1Very high91.2Very high85 Ų8556.8 Ų56.855%0.55228%0.281SS*.Hα-helixtrans-58.7-34.2179.5-24.934.9000113.3F452 R460F452-P456 WeakPolarHBondContact O-CD 3.4Å; P456-R460 PolarHBondContact O-N 3.16Å
457S97.2Very high92.5Very high48 Ų4855.3 Ų55.334%0.33627%0.266SS..Hα-helixtrans-70.5-40.5177.5-58.50000111D454 L455 R460 C461D454-S457 WeakPolarHBondContact O-CB 3.36Å; D454-S457 PolarHBondContact O-N 3.13Å; D454-S457 VanDerWaalsContact O-N 3.12Å; L455-S457 PolarHBondContact O-N 3.37Å; S457-R460 PolarHBondContact O-N 2.87Å; S457-C461 PolarHBondContact O-N 3.4Å; S457-C461 PolarHBondContact O-SG 2.7Å
458L97.8Very high93.4Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-64.1-47.7176.2-176.560.2000111.6A432 I435 W439 D454 L455 R460 C461 L462 V471 V499A432-L458 HydrophobicContact CB-CD1 4.01Å; I435-L458 HydrophobicContact CD1-CB 4.06Å; I435-L458 HydrophobicContact CG2-CB 4.23Å; I435-L458 HydrophobicContact CG2-CD2 4.24Å; W439-L458 HydrophobicContact CE3-CD2 4.46Å; W439-L458 HydrophobicContact CH2-CD2 3.8Å; W439-L458 HydrophobicContact CZ2-CD2 4.23Å; W439-L458 HydrophobicContact CZ3-CD2 3.94Å; D454-L458 PolarHBondContact O-N 3.44Å; L455-L458 PolarHBondContact O-N 3.43Å; L458-R460 VanDerWaalsContact C-N 3.28Å; L458-R460 PolarHBondContact O-N 2.91Å; L458-C461 WeakPolarHBondContact O-CA 3.4Å; L458-C461 WeakPolarHBondContact O-CB 3.18Å; L458-C461 PolarHBondContact O-N 2.64Å; L458-L462 PolarHBondContact O-N 3.32Å; L458-V471 HydrophobicContact CD1-CG2 4Å; L458-V499 HydrophobicContact CD2-CG2 3.85Å
459L97.9Very high94.3Very high35 Ų3555.3 Ų55.318%0.18327%0.265CS..Hα-helixtrans-58.3-40.9179.3-62.1178.1000111.5L455 C461 L462 I498 V499 E502L455-L459 HydrophobicContact CD1-CD1 4.12Å; L455-L459 HydrophobicContact CD1-CD2 3.97Å; L455-L459 HydrophobicContact CD1-CG 3.89Å; L455-L459 HydrophobicContact CG-CD1 3.99Å; L455-L459 HydrophobicContact CG-CG 4.16Å; L455-L459 WeakPolarHBondContact O-CG 3.36Å; L455-L459 PolarHBondContact O-N 2.88Å; L459-C461 VanDerWaalsContact C-N 3.3Å; L459-C461 PolarHBondContact O-N 2.99Å; L459-L462 HydrophobicContact CD2-CD1 4.03Å; L459-L462 WeakPolarHBondContact O-CB 3.48Å; L459-L462 PolarHBondContact O-N 3.38Å; L459-L462 VanDerWaalsContact O-N 3.12Å; L459-I498 HydrophobicContact CD1-CG2 4.15Å; L459-I498 HydrophobicContact CD2-CG2 4.29Å; L459-V499 HydrophobicContact CD2-CG2 4.32Å; L459-E502 HydrophobicContact CD2-CB 3.68Å; L459-E502 HydrophobicContact CD2-CG 3.72Å
460R97.3Very high94.8Very high117 Ų11748.6 Ų48.644%0.44223%0.23SC..Hα-helixtrans-60.2-37.8173.2-171.7-164.164.371.49.8112.6E428 P456 S457 L458 L462 S463E428-R460 VanDerWaalsContact CD-NH1 3.28Å; E428-R460 IonicContact OE1-CZ 3.61Å; E428-R460 IonicContact OE1-NH1 3.84Å; E428-R460 PolarHBondContact OE1-NH1 2.65Å; E428-R460 IonicContact OE1-NH2 3.09Å; E428-R460 PolarHBondContact OE1-NH2 3.47Å; E428-R460 IonicContact OE2-CZ 3.56Å; E428-R460 VanDerWaalsContact OE2-CZ 3.28Å; E428-R460 IonicContact OE2-NH1 2.9Å; E428-R460 PolarHBondContact OE2-NH1 3.03Å; E428-R460 VanDerWaalsContact OE2-NH1 3.09Å; E428-R460 IonicContact OE2-NH2 2.73Å; E428-R460 PolarHBondContact OE2-NH2 3.47Å; P456-R460 PolarHBondContact O-N 3.16Å; S457-R460 PolarHBondContact O-N 2.87Å; L458-R460 VanDerWaalsContact C-N 3.28Å; L458-R460 PolarHBondContact O-N 2.91Å; R460-L462 VanDerWaalsContact C-N 3.26Å; R460-L462 PolarHBondContact O-N 2.86Å; R460-S463 PolarHBondContact O-OG 3.44Å
461C97.8Very high95.5Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-70-24.3178.7-58.80000112.1E428 A432 S457 L458 L459 S463 C464 V467E428-C461 PolarHBondContact OE2-SG 3.14Å; A432-C461 HydrophobicContact CB-CB 3.9Å; S457-C461 PolarHBondContact O-N 3.4Å; S457-C461 PolarHBondContact O-SG 2.7Å; L458-C461 WeakPolarHBondContact O-CA 3.4Å; L458-C461 WeakPolarHBondContact O-CB 3.18Å; L458-C461 PolarHBondContact O-N 2.64Å; L459-C461 VanDerWaalsContact C-N 3.3Å; L459-C461 PolarHBondContact O-N 2.99Å; C461-S463 PolarHBondContact O-N 3.02Å; C461-C464 VanDerWaalsContact O-CB 3.29Å; C461-C464 WeakPolarHBondContact O-CB 3.45Å; C461-C464 PolarHBondContact O-N 3Å; C461-V467 HydrophobicContact CB-CG1 4.01Å; C461-V467 WeakPolarHBondContact O-CB 3.4Å
462L97.5Very high95.8Very high1 Ų141.8 Ų41.81%0.00520%0.204CC..THydrogen-bonded Turntrans-65.6-18.1-177.8-66.9-178.8000113.9L458 L459 R460 C464 V467 S468 V471 V499 E502 L503 V506L458-L462 PolarHBondContact O-N 3.32Å; L459-L462 HydrophobicContact CD2-CD1 4.03Å; L459-L462 WeakPolarHBondContact O-CB 3.48Å; L459-L462 PolarHBondContact O-N 3.38Å; L459-L462 VanDerWaalsContact O-N 3.12Å; R460-L462 VanDerWaalsContact C-N 3.26Å; R460-L462 PolarHBondContact O-N 2.86Å; L462-C464 PolarHBondContact O-N 2.99Å; L462-V467 HydrophobicContact CD2-CG1 4.28Å; L462-S468 PolarHBondContact O-OG 3.16Å; L462-V471 HydrophobicContact CD2-CB 3.76Å; L462-V471 HydrophobicContact CD2-CG1 3.9Å; L462-V471 HydrophobicContact CD2-CG2 3.77Å; L462-V499 HydrophobicContact CD1-CG1 4.3Å; L462-E502 HydrophobicContact CD1-CB 3.89Å; L462-E502 HydrophobicContact CD1-CG 3.68Å; L462-L503 HydrophobicContact CD1-CD2 4.29Å; L462-L503 HydrophobicContact CD1-CG 4.38Å; L462-L503 HydrophobicContact CD2-CD2 3.78Å; L462-V506 HydrophobicContact CB-CG2 4.17Å
463S94.3Very high95.9Very high95 Ų9538.2 Ų38.266%0.66419%0.188SC*.THydrogen-bonded Turntrans-61.7-22.1170-510000112.6R460 C461R460-S463 PolarHBondContact O-OG 3.44Å; C461-S463 PolarHBondContact O-N 3.02Å
464C95.8Very high96.1Very high25 Ų2530.8 Ų30.817%0.16916%0.16CC..SBendtrans-83.4111.2173.2-169.10000110.1E428 C461 L462 P466 V467 S468E428-C464 HydrophobicContact CB-CB 4.12Å; E428-C464 HydrophobicContact CG-CB 4.45Å; C461-C464 VanDerWaalsContact O-CB 3.29Å; C461-C464 WeakPolarHBondContact O-CB 3.45Å; C461-C464 PolarHBondContact O-N 3Å; L462-C464 PolarHBondContact O-N 2.99Å; C464-P466 VanDerWaalsContact SG-CG 3.53Å; C464-V467 HydrophobicContact CB-CB 4.17Å; C464-V467 HydrophobicContact CB-CG2 3.78Å; C464-V467 WeakPolarHBondContact O-CA 3.33Å; C464-V467 VanDerWaalsContact O-CB 3.24Å; C464-V467 WeakPolarHBondContact O-CB 3.35Å; C464-V467 PolarHBondContact O-N 2.98Å; C464-S468 PolarHBondContact O-N 3.44Å; C464-S468 VanDerWaalsContact O-N 3.1Å; C464-S468 PolarHBondContact O-OG 3.29Å
465R91.7Very high96.1Very high175 Ų17530.1 Ų30.166%0.6616%0.157SC*.Hα-helixtrans-48.8-46-177.3-69.9-172.1172.8881.6116.2V467 S468 L469R465-V467 PolarHBondContact O-N 3.38Å; R465-S468 PolarHBondContact O-N 3.43Å; R465-L469 PolarHBondContact O-N 3.23Å
466P94.4Very high96Very high13 Ų1330.9 Ų30.98%0.08416%0.159CC..Hα-helixtrans-61.8-32.4176.321.9-33.1000112.5Y397 A401 V429 C464 G470Y397-P466 HydrophobicContact CD1-CB 4.1Å; Y397-P466 HydrophobicContact CE1-CB 3.53Å; Y397-P466 VanDerWaalsContact CE1-O 3.28Å; Y397-P466 WeakPolarHBondContact CE1-O 3.46Å; Y397-P466 PolarHBondContact OH-O 3.26Å; A401-P466 HydrophobicContact CB-CB 3.7Å; A401-P466 HydrophobicContact CB-CG 3.81Å; V429-P466 HydrophobicContact CG2-CG 4.46Å; C464-P466 VanDerWaalsContact SG-CG 3.53Å; P466-G470 PolarHBondContact O-N 2.84Å; P466-G470 VanDerWaalsContact O-N 3.15Å
467V98Very high95.7Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-67.2-44.4174.1-178.70000110.5F379 E428 V429 A432 C461 L462 C464 R465 L469 G470 V471F379-V467 HydrophobicContact CE1-CG1 4.34Å; E428-V467 HydrophobicContact CB-CG2 4.19Å; V429-V467 HydrophobicContact CG2-CG2 3.82Å; A432-V467 HydrophobicContact CB-CG1 3.35Å; A432-V467 HydrophobicContact CB-CG2 4.39Å; C461-V467 HydrophobicContact CB-CG1 4.01Å; C461-V467 WeakPolarHBondContact O-CB 3.4Å; L462-V467 HydrophobicContact CD2-CG1 4.28Å; C464-V467 HydrophobicContact CB-CB 4.17Å; C464-V467 HydrophobicContact CB-CG2 3.78Å; C464-V467 WeakPolarHBondContact O-CA 3.33Å; C464-V467 VanDerWaalsContact O-CB 3.24Å; C464-V467 WeakPolarHBondContact O-CB 3.35Å; C464-V467 PolarHBondContact O-N 2.98Å; R465-V467 PolarHBondContact O-N 3.38Å; V467-L469 VanDerWaalsContact C-N 3.29Å; V467-L469 PolarHBondContact O-N 3.24Å; V467-G470 PolarHBondContact O-N 2.91Å; V467-G470 VanDerWaalsContact O-N 3.15Å; V467-V471 HydrophobicContact CG1-CG2 3.74Å; V467-V471 WeakPolarHBondContact O-CB 3.1Å; V467-V471 VanDerWaalsContact O-CG2 3.28Å; V467-V471 WeakPolarHBondContact O-CG2 3.27Å; V467-V471 PolarHBondContact O-N 3.16Å
468S96.5Very high95.4Very high2 Ų226.6 Ų26.61%0.01413%0.129CC..Hα-helixtrans-57.2-42.2179.2-25.90000112L462 C464 R465 F472 L503L462-S468 PolarHBondContact O-OG 3.16Å; C464-S468 PolarHBondContact O-N 3.44Å; C464-S468 VanDerWaalsContact O-N 3.1Å; C464-S468 PolarHBondContact O-OG 3.29Å; R465-S468 PolarHBondContact O-N 3.43Å; S468-F472 WeakPolarHBondContact O-CB 3.21Å; S468-F472 PolarHBondContact O-N 3.34Å; S468-L503 WeakPolarHBondContact O-CD2 3.39Å
469L95.1Very high95Very high15 Ų1526.7 Ų26.78%0.07913%0.129CC..Hα-helixtrans-63.8-47.6175.4176.761000112M191 V194 A195 I371 R465 V467 V471 F472 R473M191-L469 HydrophobicContact CE-CB 3.78Å; M191-L469 HydrophobicContact CE-CD1 3.69Å; M191-L469 HydrophobicContact CE-CD2 4.35Å; M191-L469 HydrophobicContact CE-CG 4.12Å; M191-L469 HydrophobicContact SD-CD1 4.22Å; V194-L469 HydrophobicContact CG1-CD2 4.4Å; A195-L469 HydrophobicContact CB-CD1 4.14Å; I371-L469 HydrophobicContact CG2-CD2 4.14Å; R465-L469 PolarHBondContact O-N 3.23Å; V467-L469 VanDerWaalsContact C-N 3.29Å; V467-L469 PolarHBondContact O-N 3.24Å; L469-V471 PolarHBondContact O-N 3.3Å; L469-F472 PolarHBondContact O-N 2.93Å; L469-R473 WeakPolarHBondContact O-CG 3.3Å; L469-R473 PolarHBondContact O-N 3.35Å; L469-R473 VanDerWaalsContact O-N 3.16Å
470G96.2Very high94.4Very high0 Ų025.9 Ų25.90%013%0.125CC..Hα-helixtrans-62.2-43179.300000112.4F379 P466 V467 R473 F474F379-G470 VanDerWaalsContact CB-O 3.3Å; F379-G470 WeakPolarHBondContact CB-O 3.45Å; F379-G470 VanDerWaalsContact CD2-CA 3.48Å; P466-G470 PolarHBondContact O-N 2.84Å; P466-G470 VanDerWaalsContact O-N 3.15Å; V467-G470 PolarHBondContact O-N 2.91Å; V467-G470 VanDerWaalsContact O-N 3.15Å; G470-R473 PolarHBondContact O-N 2.96Å; G470-F474 PolarHBondContact O-N 3.15Å
471V97.7Very high93.8Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-68.7-37.3178.2177.20000111.5F379 L458 L462 V467 L469 R473 F474 V475 V499 L503F379-V471 HydrophobicContact CD1-CG2 4.21Å; F379-V471 HydrophobicContact CE1-CG2 4.31Å; L458-V471 HydrophobicContact CD1-CG2 4Å; L462-V471 HydrophobicContact CD2-CB 3.76Å; L462-V471 HydrophobicContact CD2-CG1 3.9Å; L462-V471 HydrophobicContact CD2-CG2 3.77Å; V467-V471 HydrophobicContact CG1-CG2 3.74Å; V467-V471 WeakPolarHBondContact O-CB 3.1Å; V467-V471 VanDerWaalsContact O-CG2 3.28Å; V467-V471 WeakPolarHBondContact O-CG2 3.27Å; V467-V471 PolarHBondContact O-N 3.16Å; L469-V471 PolarHBondContact O-N 3.3Å; V471-R473 VanDerWaalsContact C-N 3.33Å; V471-R473 PolarHBondContact O-N 3.16Å; V471-F474 HydrophobicContact CG1-CD1 4.36Å; V471-F474 WeakPolarHBondContact O-CB 3.39Å; V471-F474 PolarHBondContact O-N 3.15Å; V471-V475 HydrophobicContact CG1-CG2 4.26Å; V471-V475 WeakPolarHBondContact O-CG2 3.21Å; V471-V475 PolarHBondContact O-N 2.87Å; V471-V499 HydrophobicContact CG1-CG1 3.48Å; V471-V499 VanDerWaalsContact CG1-CG1 3.48Å; V471-L503 HydrophobicContact CG1-CD1 4.45Å
472F96.4Very high93Very high1 Ų124.2 Ų24.20%0.00413%0.126CC..Hα-helixtrans-56.3-48171.3171.6-95.5000111.5A195 F196 S468 L469 F474 V475 R476 L503 L510 A513 L514 F517A195-F472 HydrophobicContact CB-CD1 3.76Å; A195-F472 HydrophobicContact CB-CE1 3.46Å; A195-F472 VanDerWaalsContact CB-CE1 3.46Å; A195-F472 HydrophobicContact CB-CZ 4.36Å; F196-F472 HydrophobicContact CE2-CZ 4.49Å; F196-F472 HydrophobicContact CZ-CZ 4.3Å; S468-F472 WeakPolarHBondContact O-CB 3.21Å; S468-F472 PolarHBondContact O-N 3.34Å; L469-F472 PolarHBondContact O-N 2.93Å; F472-F474 VanDerWaalsContact C-N 3.32Å; F472-F474 PolarHBondContact O-N 3.36Å; F472-V475 PolarHBondContact O-N 3.48Å; F472-R476 HydrophobicContact CD1-CG 4.48Å; F472-R476 HydrophobicContact CE1-CG 4.01Å; F472-R476 HydrophobicContact CE2-CG 4.38Å; F472-R476 VanDerWaalsContact CZ-CD 3.47Å; F472-R476 HydrophobicContact CZ-CG 3.98Å; F472-R476 WeakPolarHBondContact O-CG 3.42Å; F472-R476 PolarHBondContact O-N 2.93Å; F472-L503 HydrophobicContact CB-CD1 4.16Å; F472-L510 HydrophobicContact CB-CD1 4.16Å; F472-L510 HydrophobicContact CB-CD2 4.22Å; F472-L510 HydrophobicContact CD1-CD2 4.41Å; F472-L510 HydrophobicContact CD2-CD2 4.44Å; F472-L510 HydrophobicContact CG-CD2 4.09Å; F472-A513 HydrophobicContact CE1-CB 4.13Å; F472-A513 HydrophobicContact CE2-CB 4.01Å; F472-A513 HydrophobicContact CZ-CB 3.58Å; F472-L514 HydrophobicContact CD2-CD2 3.64Å; F472-L514 HydrophobicContact CD2-CG 4.2Å; F472-L514 HydrophobicContact CE2-CD2 3.74Å; F472-L514 HydrophobicContact CE2-CG 4.1Å; F472-F517 HydrophobicContact CE2-CB 4.36Å; F472-F517 HydrophobicContact CZ-CB 4.34Å
473R94.4Very high91.9Very high9 Ų927.5 Ų27.53%0.03414%0.139CC..Hα-helixtrans-62.5-39.6177.6-65.4-179.372.793.52.9111.9V194 A195 L197 D376 L469 G470 V471 R476 V477V194-R473 PolarHBondContact O-NH1 2.96Å; A195-R473 PolarHBondContact O-NH1 3.29Å; L197-R473 PolarHBondContact O-NH1 3.04Å; L197-R473 PolarHBondContact O-NH2 3.48Å; D376-R473 IonicContact OD1-CZ 2.67Å; D376-R473 VanDerWaalsContact OD1-CZ 3.28Å; D376-R473 IonicContact OD1-NE 3.36Å; D376-R473 PolarHBondContact OD1-NE 3.32Å; D376-R473 IonicContact OD1-NH2 3.07Å; D376-R473 PolarHBondContact OD1-NH2 2.98Å; D376-R473 IonicContact OD2-CZ 3.58Å; D376-R473 IonicContact OD2-NE 3.39Å; D376-R473 IonicContact OD2-NH2 3.19Å; D376-R473 PolarHBondContact OD2-NH2 2.61Å; L469-R473 WeakPolarHBondContact O-CG 3.3Å; L469-R473 PolarHBondContact O-N 3.35Å; L469-R473 VanDerWaalsContact O-N 3.16Å; G470-R473 PolarHBondContact O-N 2.96Å; V471-R473 VanDerWaalsContact C-N 3.33Å; V471-R473 PolarHBondContact O-N 3.16Å; R473-R476 PolarHBondContact O-N 3.49Å; R473-V477 PolarHBondContact O-N 2.96Å; R473-V477 VanDerWaalsContact O-N 3.13Å
474F95.2Very high90.9Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-59.8-49.3172.3159.5-103000112.8F379 C436 W439 N440 G470 V471 F472 R476 V477 V478 Y496F379-F474 HydrophobicContact CB-CB 4.05Å; F379-F474 VanDerWaalsContact O-CD2 3.27Å; F379-F474 WeakPolarHBondContact O-CD2 3.39Å; C436-F474 HydrophobicContact CB-CB 4.47Å; C436-F474 HydrophobicContact CB-CD1 4.2Å; C436-F474 HydrophobicContact CB-CD2 3.78Å; C436-F474 HydrophobicContact CB-CE1 4.38Å; C436-F474 HydrophobicContact CB-CE2 3.98Å; C436-F474 HydrophobicContact CB-CG 3.88Å; C436-F474 HydrophobicContact CB-CZ 4.26Å; C436-F474 VanDerWaalsContact O-CE2 3.23Å; C436-F474 WeakPolarHBondContact O-CE2 3.41Å; C436-F474 VanDerWaalsContact SG-CD1 3.54Å; W439-F474 HydrophobicContact CB-CE2 4.26Å; W439-F474 HydrophobicContact CB-CZ 3.68Å; W439-F474 HydrophobicContact CD2-CZ 4.48Å; W439-F474 AromaticContact CE3-CE1 3.91Å; W439-F474 HydrophobicContact CE3-CE1 3.91Å; W439-F474 AromaticContact CE3-CZ 3.92Å; W439-F474 HydrophobicContact CE3-CZ 3.92Å; W439-F474 HydrophobicContact CG-CZ 4.44Å; N440-F474 HydrophobicContact CB-CE2 4.32Å; G470-F474 PolarHBondContact O-N 3.15Å; V471-F474 HydrophobicContact CG1-CD1 4.36Å; V471-F474 WeakPolarHBondContact O-CB 3.39Å; V471-F474 PolarHBondContact O-N 3.15Å; F472-F474 VanDerWaalsContact C-N 3.32Å; F472-F474 PolarHBondContact O-N 3.36Å; F474-R476 VanDerWaalsContact C-N 3.29Å; F474-R476 PolarHBondContact O-N 2.81Å; F474-V477 PolarHBondContact O-N 3.48Å; F474-V477 VanDerWaalsContact O-N 3.12Å; F474-V478 HydrophobicContact CD2-CG2 3.85Å; F474-V478 HydrophobicContact CE1-CG2 4.14Å; F474-V478 HydrophobicContact CE2-CG2 3.33Å; F474-V478 HydrophobicContact CG-CG2 4.45Å; F474-V478 HydrophobicContact CZ-CG2 3.51Å; F474-V478 WeakPolarHBondContact O-CG2 3.06Å; F474-V478 PolarHBondContact O-N 3.07Å; F474-Y496 HydrophobicContact CE1-CD1 4.31Å; F474-Y496 HydrophobicContact CE1-CE1 4.22Å; F474-Y496 HydrophobicContact CZ-CD1 4.5Å; F474-Y496 AromaticContact CZ-CE1 3.97Å; F474-Y496 HydrophobicContact CZ-CE1 3.97Å
475V94.9Very high89.9Confident1 Ų127.8 Ų27.81%0.00614%0.135CC..Hα-helixtrans-59.4-43.3179.5168.80000110.3V471 F472 V477 V478 F479 V499 V500 F517V471-V475 HydrophobicContact CG1-CG2 4.26Å; V471-V475 WeakPolarHBondContact O-CG2 3.21Å; V471-V475 PolarHBondContact O-N 2.87Å; F472-V475 PolarHBondContact O-N 3.48Å; V475-V477 VanDerWaalsContact C-N 3.33Å; V475-V477 PolarHBondContact O-N 3.14Å; V475-V478 PolarHBondContact O-N 2.61Å; V475-F479 HydrophobicContact CG1-CD2 3.6Å; V475-F479 HydrophobicContact CG1-CE2 3.65Å; V475-F479 WeakPolarHBondContact O-CD2 3.41Å; V475-F479 PolarHBondContact O-N 2.87Å; V475-V499 HydrophobicContact CG2-CB 4.49Å; V475-V499 HydrophobicContact CG2-CG1 3.77Å; V475-V500 HydrophobicContact CG1-CG2 3.58Å; V475-F517 HydrophobicContact CG1-CE1 3.95Å; V475-F517 HydrophobicContact CG1-CZ 4.18Å
476R92.4Very high89.3Confident26 Ų2619.8 Ų19.810%0.09811%0.105CC..Hα-helixtrans-54.6-49.8174.1-73.2-172.964.1-140.3-1.6111.7A195 F196 F472 R473 F474 V478 F479 H480 F517A195-R476 PolarHBondContact O-NH1 3.12Å; A195-R476 VanDerWaalsContact O-NH1 3.15Å; F196-R476 VanDerWaalsContact CD1-NH2 3.27Å; F196-R476 VanDerWaalsContact CE1-CZ 3.43Å; F472-R476 HydrophobicContact CD1-CG 4.48Å; F472-R476 HydrophobicContact CE1-CG 4.01Å; F472-R476 HydrophobicContact CE2-CG 4.38Å; F472-R476 VanDerWaalsContact CZ-CD 3.47Å; F472-R476 HydrophobicContact CZ-CG 3.98Å; F472-R476 WeakPolarHBondContact O-CG 3.42Å; F472-R476 PolarHBondContact O-N 2.93Å; R473-R476 PolarHBondContact O-N 3.49Å; F474-R476 VanDerWaalsContact C-N 3.29Å; F474-R476 PolarHBondContact O-N 2.81Å; R476-V478 PolarHBondContact O-N 3.35Å; R476-F479 PolarHBondContact O-N 3.19Å; R476-H480 PolarHBondContact O-N 3.32Å; R476-H480 PolarHBondContact O-ND1 3.29Å; R476-F517 HydrophobicContact CB-CE2 4.28Å; R476-F517 HydrophobicContact CG-CD2 3.75Å; R476-F517 HydrophobicContact CG-CE2 3.93Å; R476-F517 HydrophobicContact CG-CG 4.06Å; R476-F517 HydrophobicContact CG-CZ 4.39Å
477V90.8Very high88.4Confident44 Ų4422.6 Ų22.627%0.26712%0.117SC..Hα-helixtrans-60.6-47.5178.3171.30000110.9A380 R473 F474 V475 F479 H480 T481A380-V477 HydrophobicContact CB-CB 4.37Å; A380-V477 HydrophobicContact CB-CG2 3.84Å; R473-V477 PolarHBondContact O-N 2.96Å; R473-V477 VanDerWaalsContact O-N 3.13Å; F474-V477 PolarHBondContact O-N 3.48Å; F474-V477 VanDerWaalsContact O-N 3.12Å; V475-V477 VanDerWaalsContact C-N 3.33Å; V475-V477 PolarHBondContact O-N 3.14Å; V477-F479 PolarHBondContact O-N 2.66Å; V477-H480 PolarHBondContact O-N 2.88Å; V477-H480 VanDerWaalsContact O-N 3.11Å; V477-T481 HydrophobicContact CG1-CG2 3.89Å; V477-T481 WeakPolarHBondContact O-CG2 3.45Å; V477-T481 PolarHBondContact O-N 3.29Å; V477-T481 PolarHBondContact O-OG1 3.14Å
478V90.4Very high87.2Confident0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-58.5-45.6-179.2168.70000112.2F474 V475 R476 H480 T481 K482 F486 Y496F474-V478 HydrophobicContact CD2-CG2 3.85Å; F474-V478 HydrophobicContact CE1-CG2 4.14Å; F474-V478 HydrophobicContact CE2-CG2 3.33Å; F474-V478 HydrophobicContact CG-CG2 4.45Å; F474-V478 HydrophobicContact CZ-CG2 3.51Å; F474-V478 WeakPolarHBondContact O-CG2 3.06Å; F474-V478 PolarHBondContact O-N 3.07Å; V475-V478 PolarHBondContact O-N 2.61Å; R476-V478 PolarHBondContact O-N 3.35Å; V478-H480 PolarHBondContact O-N 2.9Å; V478-T481 PolarHBondContact O-N 2.81Å; V478-K482 HydrophobicContact CG1-CB 4.27Å; V478-K482 HydrophobicContact CG1-CD 4.01Å; V478-K482 HydrophobicContact CG1-CG 4.06Å; V478-K482 WeakPolarHBondContact O-CB 3.32Å; V478-K482 PolarHBondContact O-N 3.14Å; V478-F486 HydrophobicContact CG1-CZ 4Å; V478-Y496 HydrophobicContact CB-CD1 4.46Å; V478-Y496 HydrophobicContact CB-CE1 4.32Å; V478-Y496 HydrophobicContact CG1-CD1 3.79Å; V478-Y496 HydrophobicContact CG1-CD2 4.27Å; V478-Y496 HydrophobicContact CG1-CE1 3.56Å; V478-Y496 HydrophobicContact CG1-CE2 4.08Å; V478-Y496 HydrophobicContact CG1-CG 4.13Å; V478-Y496 HydrophobicContact CG2-CE1 4.1Å
479F89.9Confident86.4Confident1 Ų131.8 Ų31.80%0.00417%0.165CC..Hα-helixtrans-65-24.5-179.3-88.4-97.6000113.5V475 R476 V477 F486 M493 V500 F517 L521 L541V475-F479 HydrophobicContact CG1-CD2 3.6Å; V475-F479 HydrophobicContact CG1-CE2 3.65Å; V475-F479 WeakPolarHBondContact O-CD2 3.41Å; V475-F479 PolarHBondContact O-N 2.87Å; R476-F479 PolarHBondContact O-N 3.19Å; V477-F479 PolarHBondContact O-N 2.66Å; F479-F486 HydrophobicContact CD1-CE2 4.02Å; F479-F486 HydrophobicContact CE1-CE2 4.45Å; F479-F486 HydrophobicContact CG-CE2 4.24Å; F479-M493 HydrophobicContact CD1-CE 4.3Å; F479-M493 HydrophobicContact CE1-CE 3.92Å; F479-M493 HydrophobicContact CE1-CG 3.83Å; F479-M493 HydrophobicContact CE1-SD 3.61Å; F479-M493 HydrophobicContact CZ-CG 3.87Å; F479-M493 HydrophobicContact CZ-SD 4.19Å; F479-V500 HydrophobicContact CE2-CG2 4.36Å; F479-F517 HydrophobicContact CB-CE2 4.09Å; F479-F517 HydrophobicContact CB-CZ 3.69Å; F479-F517 HydrophobicContact CD1-CZ 4.47Å; F479-F517 HydrophobicContact CD2-CE1 4.38Å; F479-F517 AromaticContact CD2-CZ 3.82Å; F479-F517 HydrophobicContact CD2-CZ 3.82Å; F479-F517 AromaticContact CG-CZ 3.76Å; F479-F517 HydrophobicContact CG-CZ 3.76Å; F479-L521 HydrophobicContact CB-CD1 4.07Å; F479-L521 HydrophobicContact CB-CD2 4.38Å; F479-L521 HydrophobicContact CD1-CD1 3.6Å; F479-L521 HydrophobicContact CE1-CD1 4.26Å; F479-L521 HydrophobicContact CG-CD1 4Å; F479-L541 HydrophobicContact CE1-CD2 4.34Å
480H85.8Confident85.7Confident19 Ų1932.2 Ų32.29%0.08817%0.167CC..Hα-helixtrans-88.6-35.4176.3-71.583.7000113.1I220 R476 V477 V478 R483 F517 E520I220-H480 HydrophobicContact CD1-CB 3.86Å; R476-H480 PolarHBondContact O-N 3.32Å; R476-H480 PolarHBondContact O-ND1 3.29Å; V477-H480 PolarHBondContact O-N 2.88Å; V477-H480 VanDerWaalsContact O-N 3.11Å; V478-H480 PolarHBondContact O-N 2.9Å; H480-R483 PolarHBondContact O-NE 3.05Å; H480-F517 AromaticContact CE1-CE2 3.97Å; H480-E520 IonicContact CE1-OE1 3.54Å; H480-E520 IonicContact NE2-OE1 3.09Å; H480-E520 PolarHBondContact NE2-OE1 2.92Å
481T84.8Confident85.2Confident71 Ų7135.6 Ų35.644%0.43619%0.185SC..Hα-helixtrans-93.4-27.7-173.659.30000114.1V477 V478 R483V477-T481 HydrophobicContact CG1-CG2 3.89Å; V477-T481 WeakPolarHBondContact O-CG2 3.45Å; V477-T481 PolarHBondContact O-N 3.29Å; V477-T481 PolarHBondContact O-OG1 3.14Å; V478-T481 PolarHBondContact O-N 2.81Å; T481-R483 PolarHBondContact O-N 3.1Å
482K80.4Confident84.6Confident10 Ų1035.8 Ų35.84%0.04319%0.186CC..  trans-95.424.7-177.2-62.8-153177.8-159.30114.5W439 M442 V478 V484 D485 F486 Y496W439-K482 WeakPolarHBondContact O-CE 3.17Å; W439-K482 PolarHBondContact O-NZ 3.48Å; M442-K482 PolarHBondContact O-NZ 3.26Å; V478-K482 HydrophobicContact CG1-CB 4.27Å; V478-K482 HydrophobicContact CG1-CD 4.01Å; V478-K482 HydrophobicContact CG1-CG 4.06Å; V478-K482 WeakPolarHBondContact O-CB 3.32Å; V478-K482 PolarHBondContact O-N 3.14Å; K482-V484 VanDerWaalsContact C-N 3.27Å; K482-V484 PolarHBondContact O-N 2.96Å; K482-D485 HydrophobicContact CB-CB 4.35Å; K482-D485 PolarHBondContact O-N 3.48Å; K482-F486 HydrophobicContact CB-CE1 4.34Å; K482-F486 HydrophobicContact CB-CE2 4.43Å; K482-F486 HydrophobicContact CB-CZ 4.2Å; K482-F486 WeakPolarHBondContact O-CG 3.39Å; K482-F486 PolarHBondContact O-N 3.26Å; K482-F486 VanDerWaalsContact O-N 3.16Å; K482-Y496 PolarHBondContact NZ-OH 2.95Å
483R74.5Confident84.2Confident70 Ų7035.7 Ų35.726%0.26419%0.186SC..Hα-helixtrans-52.8-44.1-177.8-71.2177.6176-172.3-0.5112.7H480 T481 D485 F486 E487 V526H480-R483 PolarHBondContact O-NE 3.05Å; T481-R483 PolarHBondContact O-N 3.1Å; R483-D485 PolarHBondContact O-N 3.43Å; R483-F486 PolarHBondContact O-N 3.15Å; R483-E487 PolarHBondContact O-N 3.22Å; R483-V526 HydrophobicContact CB-CG1 4.11Å; R483-V526 HydrophobicContact CG-CG1 4.32Å
484V74.2Confident84.1Confident94 Ų9439.7 Ų39.757%0.5720%0.203SC*.Hα-helixtrans-64.7-38.8178.6-177.60000112.3K482 F486 E487 L488K482-V484 VanDerWaalsContact C-N 3.27Å; K482-V484 PolarHBondContact O-N 2.96Å; V484-F486 VanDerWaalsContact C-N 3.29Å; V484-F486 PolarHBondContact O-N 2.98Å; V484-E487 PolarHBondContact O-N 3.44Å; V484-L488 HydrophobicContact CG1-CD1 4.16Å; V484-L488 VanDerWaalsContact O-CG 3.28Å; V484-L488 WeakPolarHBondContact O-CG 3.4Å; V484-L488 PolarHBondContact O-N 3.18Å; V484-L488 VanDerWaalsContact O-N 3.07Å
485D75.2Confident83.9Confident33 Ų3339.7 Ų39.718%0.17620%0.203CC..Hα-helixtrans-65.2-37.4177.9-70.4-48.6000111.1I447 K482 R483 N489 T492I447-D485 HydrophobicContact CD1-CB 4.12Å; K482-D485 HydrophobicContact CB-CB 4.35Å; K482-D485 PolarHBondContact O-N 3.48Å; R483-D485 PolarHBondContact O-N 3.43Å; D485-N489 PolarHBondContact O-N 2.86Å; D485-N489 VanDerWaalsContact O-N 3.12Å; D485-T492 PolarHBondContact O-OG1 3.45Å
486F79Confident83.9Confident7 Ų739.7 Ų39.73%0.03120%0.203CC..Hα-helixtrans-71-39.1177.9-60-25.6000112.8V478 F479 K482 R483 V484 L488 N489 M490 T492 M493 Y496V478-F486 HydrophobicContact CG1-CZ 4Å; F479-F486 HydrophobicContact CD1-CE2 4.02Å; F479-F486 HydrophobicContact CE1-CE2 4.45Å; F479-F486 HydrophobicContact CG-CE2 4.24Å; K482-F486 HydrophobicContact CB-CE1 4.34Å; K482-F486 HydrophobicContact CB-CE2 4.43Å; K482-F486 HydrophobicContact CB-CZ 4.2Å; K482-F486 WeakPolarHBondContact O-CG 3.39Å; K482-F486 PolarHBondContact O-N 3.26Å; K482-F486 VanDerWaalsContact O-N 3.16Å; R483-F486 PolarHBondContact O-N 3.15Å; V484-F486 VanDerWaalsContact C-N 3.29Å; V484-F486 PolarHBondContact O-N 2.98Å; F486-L488 VanDerWaalsContact C-N 3.33Å; F486-N489 CarbonylContact O-C 3.29Å; F486-N489 VanDerWaalsContact O-C 3.29Å; F486-N489 PolarHBondContact O-N 3.5Å; F486-M490 PolarHBondContact O-N 3.41Å; F486-T492 WeakPolarHBondContact CD1-OG1 3.5Å; F486-M493 HydrophobicContact CB-CE 3.73Å; F486-M493 HydrophobicContact CD1-CB 4.01Å; F486-M493 HydrophobicContact CD1-CE 3.97Å; F486-M493 HydrophobicContact CD1-CG 4.5Å; F486-M493 HydrophobicContact CD2-CE 3.11Å; F486-M493 HydrophobicContact CE1-CB 4.03Å; F486-M493 HydrophobicContact CE1-CE 4.31Å; F486-M493 HydrophobicContact CE1-CG 4.26Å; F486-M493 HydrophobicContact CE2-CE 3.46Å; F486-M493 VanDerWaalsContact CE2-CE 3.46Å; F486-M493 HydrophobicContact CE2-CG 4.46Å; F486-M493 HydrophobicContact CG-CE 3.36Å; F486-M493 HydrophobicContact CZ-CB 4.49Å; F486-M493 HydrophobicContact CZ-CE 4.07Å; F486-M493 HydrophobicContact CZ-CG 4.22Å; F486-Y496 AromaticContact CE1-CD2 3.98Å; F486-Y496 HydrophobicContact CE1-CD2 3.98Å; F486-Y496 AromaticContact CE1-CE2 3.99Å; F486-Y496 HydrophobicContact CE1-CE2 3.99Å; F486-Y496 HydrophobicContact CZ-CD2 4.09Å; F486-Y496 HydrophobicContact CZ-CE2 4.33Å
487E73.8Confident84.1Confident72 Ų7239 Ų3934%0.33620%0.202SC..Hα-helixtrans-59-44.8173-172.5-171.5157.400111.4R483 V484 G528 M529R483-E487 PolarHBondContact O-N 3.22Å; V484-E487 PolarHBondContact O-N 3.44Å; E487-G528 VanDerWaalsContact OE1-O 3.12Å; E487-M529 HydrophobicContact CG-CB 4.39Å; E487-M529 HydrophobicContact CG-CG 4.41Å
488L74.1Confident84.3Confident136 Ų13639.8 Ų39.871%0.71220%0.204SC*.Hα-helixtrans-68.8-35.5-179.8-70.9170.1000113.1V484 F486V484-L488 HydrophobicContact CG1-CD1 4.16Å; V484-L488 VanDerWaalsContact O-CG 3.28Å; V484-L488 WeakPolarHBondContact O-CG 3.4Å; V484-L488 PolarHBondContact O-N 3.18Å; V484-L488 VanDerWaalsContact O-N 3.07Å; F486-L488 VanDerWaalsContact C-N 3.33Å
489N80.1Confident84.7Confident58 Ų5839.8 Ų39.831%0.3120%0.204SC..  trans-157.3108.7176.6-177.83.3000112.2D485 F486 D491 T492D485-N489 PolarHBondContact O-N 2.86Å; D485-N489 VanDerWaalsContact O-N 3.12Å; F486-N489 CarbonylContact O-C 3.29Å; F486-N489 VanDerWaalsContact O-C 3.29Å; F486-N489 PolarHBondContact O-N 3.5Å; N489-D491 PolarHBondContact O-N 2.93Å; N489-D491 VanDerWaalsContact O-N 3.11Å; N489-D491 VanDerWaalsContact OD1-CB 3.28Å; N489-D491 WeakPolarHBondContact OD1-CB 3.33Å; N489-D491 PolarHBondContact OD1-N 2.99Å; N489-T492 HydrophobicContact CB-CG2 3.99Å; N489-T492 WeakPolarHBondContact O-CB 3.28Å; N489-T492 WeakPolarHBondContact O-CG2 2.9Å; N489-T492 PolarHBondContact O-N 3.1Å; N489-T492 PolarHBondContact O-OG1 3.48Å
490M80.6Confident85.1Confident24 Ų2439.9 Ų39.912%0.11821%0.205CC..G310 helixtrans-57.7-25176.5-72.9-59.1-58.300114.3F486 T492 M493 M529 Y537 M540F486-M490 PolarHBondContact O-N 3.41Å; M490-T492 PolarHBondContact O-N 3.32Å; M490-M493 HydrophobicContact CE-CE 4.37Å; M490-M493 HydrophobicContact CE-SD 4.15Å; M490-M493 WeakPolarHBondContact O-CB 3.44Å; M490-M493 PolarHBondContact O-N 2.96Å; M490-M493 VanDerWaalsContact O-N 3.08Å; M490-M529 HydrophobicContact SD-CE 3.47Å; M490-M529 WeakPolarHBondContact SD-CE 3.32Å; M490-Y537 HydrophobicContact CE-CD2 4.14Å; M490-M540 HydrophobicContact CE-CE 3.87Å; M490-M540 HydrophobicContact CE-SD 4.09Å
491D84Confident85.6Confident72 Ų7241 Ų4139%0.38521%0.211SC..G310 helixtrans-66.8-16.1175.3-71.1-28.9000113.4S448 N489 M493 K494S448-D491 PolarHBondContact OG-O 3.33Å; N489-D491 PolarHBondContact O-N 2.93Å; N489-D491 VanDerWaalsContact O-N 3.11Å; N489-D491 VanDerWaalsContact OD1-CB 3.28Å; N489-D491 WeakPolarHBondContact OD1-CB 3.33Å; N489-D491 PolarHBondContact OD1-N 2.99Å; D491-M493 VanDerWaalsContact C-N 3.25Å; D491-K494 HydrophobicContact CB-CD 4.44Å; D491-K494 WeakPolarHBondContact OD1-CE 3.28Å; D491-K494 IonicContact OD1-NZ 2.63Å; D491-K494 PolarHBondContact OD1-NZ 3.34Å
492T85.9Confident86.3Confident3 Ų340 Ų402%0.01820%0.202CC..G310 helixtrans-72.6-21.2173.764.70000112.2I447 D485 F486 N489 M490 Y496I447-T492 HydrophobicContact CB-CG2 4.46Å; D485-T492 PolarHBondContact O-OG1 3.45Å; F486-T492 WeakPolarHBondContact CD1-OG1 3.5Å; N489-T492 HydrophobicContact CB-CG2 3.99Å; N489-T492 WeakPolarHBondContact O-CB 3.28Å; N489-T492 WeakPolarHBondContact O-CG2 2.9Å; N489-T492 PolarHBondContact O-N 3.1Å; N489-T492 PolarHBondContact O-OG1 3.48Å; M490-T492 PolarHBondContact O-N 3.32Å; T492-Y496 VanDerWaalsContact O-CD2 3.3Å; T492-Y496 WeakPolarHBondContact O-CD2 3.25Å; T492-Y496 WeakPolarHBondContact O-CE2 3.45Å
493M87.9Confident87.1Confident0 Ų039.5 Ų39.50%020%0.2CC..THydrogen-bonded Turntrans-78.3-30.7177.8-167.5176-76.200113.1F479 F486 M490 D491 P495 Y496 C497 Y537 M540F479-M493 HydrophobicContact CD1-CE 4.3Å; F479-M493 HydrophobicContact CE1-CE 3.92Å; F479-M493 HydrophobicContact CE1-CG 3.83Å; F479-M493 HydrophobicContact CE1-SD 3.61Å; F479-M493 HydrophobicContact CZ-CG 3.87Å; F479-M493 HydrophobicContact CZ-SD 4.19Å; F486-M493 HydrophobicContact CB-CE 3.73Å; F486-M493 HydrophobicContact CD1-CB 4.01Å; F486-M493 HydrophobicContact CD1-CE 3.97Å; F486-M493 HydrophobicContact CD1-CG 4.5Å; F486-M493 HydrophobicContact CD2-CE 3.11Å; F486-M493 HydrophobicContact CE1-CB 4.03Å; F486-M493 HydrophobicContact CE1-CE 4.31Å; F486-M493 HydrophobicContact CE1-CG 4.26Å; F486-M493 HydrophobicContact CE2-CE 3.46Å; F486-M493 VanDerWaalsContact CE2-CE 3.46Å; F486-M493 HydrophobicContact CE2-CG 4.46Å; F486-M493 HydrophobicContact CG-CE 3.36Å; F486-M493 HydrophobicContact CZ-CB 4.49Å; F486-M493 HydrophobicContact CZ-CE 4.07Å; F486-M493 HydrophobicContact CZ-CG 4.22Å; M490-M493 HydrophobicContact CE-CE 4.37Å; M490-M493 HydrophobicContact CE-SD 4.15Å; M490-M493 WeakPolarHBondContact O-CB 3.44Å; M490-M493 PolarHBondContact O-N 2.96Å; M490-M493 VanDerWaalsContact O-N 3.08Å; D491-M493 VanDerWaalsContact C-N 3.25Å; M493-P495 VanDerWaalsContact C-CD 3.49Å; M493-Y496 WeakPolarHBondContact O-CA 3.38Å; M493-Y496 WeakPolarHBondContact O-CB 3.49Å; M493-Y496 PolarHBondContact O-N 2.87Å; M493-C497 PolarHBondContact O-N 3.16Å; M493-Y537 HydrophobicContact CE-CD2 3.43Å; M493-Y537 VanDerWaalsContact CE-CD2 3.43Å; M493-Y537 HydrophobicContact CE-CE2 3.25Å; M493-Y537 HydrophobicContact SD-CD2 3.82Å; M493-Y537 HydrophobicContact SD-CE2 3.78Å; M493-M540 HydrophobicContact CB-SD 3.97Å; M493-M540 HydrophobicContact CG-SD 3.88Å; M493-M540 HydrophobicContact SD-CG 4.43Å; M493-M540 HydrophobicContact SD-SD 3.55Å
494K91.3Very high88.1Confident92 Ų9236.3 Ų36.340%0.419%0.188SC..Hα-helixtrans-49.8-46.5-172.2-71.8177.1171.7169.60114.5F452 D491 Y496 C497 I498 M540F452-K494 HydrophobicContact CZ-CB 4.09Å; D491-K494 HydrophobicContact CB-CD 4.44Å; D491-K494 WeakPolarHBondContact OD1-CE 3.28Å; D491-K494 IonicContact OD1-NZ 2.63Å; D491-K494 PolarHBondContact OD1-NZ 3.34Å; K494-Y496 VanDerWaalsContact C-N 3.26Å; K494-Y496 PolarHBondContact O-N 3.24Å; K494-C497 PolarHBondContact O-N 3.43Å; K494-I498 WeakPolarHBondContact O-CG1 3.47Å; K494-I498 PolarHBondContact O-N 2.9Å; K494-M540 HydrophobicContact CG-CE 4.49Å
495P93Very high89.1Confident0 Ų036.9 Ų36.90%019%0.185CC..Hα-helixtrans-58.6-38.1176.8-23.334.1000112.9W439 A451 F452 M493 I498 V499W439-P495 HydrophobicContact CH2-CB 4.1Å; W439-P495 HydrophobicContact CZ3-CB 4.36Å; A451-P495 HydrophobicContact CB-CB 3.73Å; A451-P495 HydrophobicContact CB-CG 3.71Å; F452-P495 HydrophobicContact CD2-CG 4.12Å; F452-P495 HydrophobicContact CE1-CG 4.3Å; F452-P495 HydrophobicContact CE2-CG 3.85Å; F452-P495 HydrophobicContact CG-CG 4.44Å; F452-P495 HydrophobicContact CZ-CG 3.93Å; M493-P495 VanDerWaalsContact C-CD 3.49Å; P495-I498 PolarHBondContact O-N 3.48Å; P495-V499 WeakPolarHBondContact O-CG2 3.24Å; P495-V499 PolarHBondContact O-N 3.33Å; P495-V499 VanDerWaalsContact O-N 3.16Å
496Y94.1Very high90.1Very high1 Ų138 Ų380%0.00419%0.192CC..Hα-helixtrans-72.5-37.9178.9-52.2-77.7000111.7W439 F474 V478 K482 F486 T492 M493 K494 I498 V499 V500W439-Y496 HydrophobicContact CD2-CE1 4.33Å; W439-Y496 AromaticContact CE3-CD1 3.82Å; W439-Y496 HydrophobicContact CE3-CD1 3.82Å; W439-Y496 AromaticContact CE3-CE1 3.39Å; W439-Y496 HydrophobicContact CE3-CE1 3.39Å; W439-Y496 AromaticContact CZ3-CD1 3.9Å; W439-Y496 HydrophobicContact CZ3-CD1 3.9Å; W439-Y496 AromaticContact CZ3-CE1 3.93Å; W439-Y496 HydrophobicContact CZ3-CE1 3.93Å; F474-Y496 HydrophobicContact CE1-CD1 4.31Å; F474-Y496 HydrophobicContact CE1-CE1 4.22Å; F474-Y496 HydrophobicContact CZ-CD1 4.5Å; F474-Y496 AromaticContact CZ-CE1 3.97Å; F474-Y496 HydrophobicContact CZ-CE1 3.97Å; V478-Y496 HydrophobicContact CB-CD1 4.46Å; V478-Y496 HydrophobicContact CB-CE1 4.32Å; V478-Y496 HydrophobicContact CG1-CD1 3.79Å; V478-Y496 HydrophobicContact CG1-CD2 4.27Å; V478-Y496 HydrophobicContact CG1-CE1 3.56Å; V478-Y496 HydrophobicContact CG1-CE2 4.08Å; V478-Y496 HydrophobicContact CG1-CG 4.13Å; V478-Y496 HydrophobicContact CG2-CE1 4.1Å; K482-Y496 PolarHBondContact NZ-OH 2.95Å; F486-Y496 AromaticContact CE1-CD2 3.98Å; F486-Y496 HydrophobicContact CE1-CD2 3.98Å; F486-Y496 AromaticContact CE1-CE2 3.99Å; F486-Y496 HydrophobicContact CE1-CE2 3.99Å; F486-Y496 HydrophobicContact CZ-CD2 4.09Å; F486-Y496 HydrophobicContact CZ-CE2 4.33Å; T492-Y496 VanDerWaalsContact O-CD2 3.3Å; T492-Y496 WeakPolarHBondContact O-CD2 3.25Å; T492-Y496 WeakPolarHBondContact O-CE2 3.45Å; M493-Y496 WeakPolarHBondContact O-CA 3.38Å; M493-Y496 WeakPolarHBondContact O-CB 3.49Å; M493-Y496 PolarHBondContact O-N 2.87Å; K494-Y496 VanDerWaalsContact C-N 3.26Å; K494-Y496 PolarHBondContact O-N 3.24Å; Y496-I498 VanDerWaalsContact C-N 3.33Å; Y496-I498 PolarHBondContact O-N 3.11Å; Y496-V499 WeakPolarHBondContact O-CB 3.45Å; Y496-V499 PolarHBondContact O-N 3.33Å; Y496-V500 WeakPolarHBondContact O-CG2 3.45Å; Y496-V500 PolarHBondContact O-N 3.39Å
497C95.5Very high90.7Very high11 Ų1137.9 Ų37.97%0.07419%0.192CC..Hα-helixtrans-61-40.3171.9-72.30000112.5M493 K494 V499 V500 N501 L544M493-C497 PolarHBondContact O-N 3.16Å; K494-C497 PolarHBondContact O-N 3.43Å; C497-V499 VanDerWaalsContact C-N 3.31Å; C497-V499 PolarHBondContact O-N 2.89Å; C497-V500 WeakPolarHBondContact O-CB 3.19Å; C497-V500 PolarHBondContact O-N 3.14Å; C497-N501 PolarHBondContact O-N 3.2Å; C497-L544 HydrophobicContact CB-CD2 3.86Å
498I96.9Very high91.5Very high62 Ų6238.7 Ų38.732%0.31820%0.196SC..Hα-helixtrans-62-43.1175.1-66.3164.6000110.3F452 L455 L459 K494 P495 Y496 V500 N501 E502F452-I498 HydrophobicContact CE1-CD1 3.77Å; F452-I498 HydrophobicContact CZ-CD1 4.41Å; L455-I498 HydrophobicContact CD1-CG2 4.33Å; L455-I498 HydrophobicContact CD2-CB 4.45Å; L455-I498 HydrophobicContact CD2-CD1 3.93Å; L455-I498 HydrophobicContact CD2-CG2 4.16Å; L459-I498 HydrophobicContact CD1-CG2 4.15Å; L459-I498 HydrophobicContact CD2-CG2 4.29Å; K494-I498 WeakPolarHBondContact O-CG1 3.47Å; K494-I498 PolarHBondContact O-N 2.9Å; P495-I498 PolarHBondContact O-N 3.48Å; Y496-I498 VanDerWaalsContact C-N 3.33Å; Y496-I498 PolarHBondContact O-N 3.11Å; I498-V500 VanDerWaalsContact C-N 3.34Å; I498-V500 PolarHBondContact O-N 2.99Å; I498-N501 PolarHBondContact O-N 3.4Å; I498-E502 PolarHBondContact O-N 2.85Å
499V97.6Very high92.2Very high0 Ų035.7 Ų35.70%018%0.176CC..Hα-helixtrans-61.4-41.5175.1171.80000111.5W439 L455 L458 L459 L462 V471 V475 P495 Y496 C497 N501 E502 L503W439-V499 HydrophobicContact CH2-CG2 4.24Å; W439-V499 HydrophobicContact CZ3-CG2 4.15Å; L455-V499 HydrophobicContact CD1-CG2 3.8Å; L458-V499 HydrophobicContact CD2-CG2 3.85Å; L459-V499 HydrophobicContact CD2-CG2 4.32Å; L462-V499 HydrophobicContact CD1-CG1 4.3Å; V471-V499 HydrophobicContact CG1-CG1 3.48Å; V471-V499 VanDerWaalsContact CG1-CG1 3.48Å; V475-V499 HydrophobicContact CG2-CB 4.49Å; V475-V499 HydrophobicContact CG2-CG1 3.77Å; P495-V499 WeakPolarHBondContact O-CG2 3.24Å; P495-V499 PolarHBondContact O-N 3.33Å; P495-V499 VanDerWaalsContact O-N 3.16Å; Y496-V499 WeakPolarHBondContact O-CB 3.45Å; Y496-V499 PolarHBondContact O-N 3.33Å; C497-V499 VanDerWaalsContact C-N 3.31Å; C497-V499 PolarHBondContact O-N 2.89Å; V499-N501 PolarHBondContact O-N 2.98Å; V499-E502 PolarHBondContact O-N 3.25Å; V499-L503 HydrophobicContact CG1-CD1 4.15Å; V499-L503 HydrophobicContact CG1-CG 4.38Å; V499-L503 WeakPolarHBondContact O-CB 3.41Å; V499-L503 VanDerWaalsContact O-CG 3.24Å; V499-L503 WeakPolarHBondContact O-CG 3.34Å; V499-L503 PolarHBondContact O-N 3.1Å
500V97.8Very high92.7Very high3 Ų332.9 Ų32.92%0.01816%0.161CC..Hα-helixtrans-59.5-45.6175.8169.30000111.6V475 F479 Y496 C497 I498 L503 A504 L514 I518 L544V475-V500 HydrophobicContact CG1-CG2 3.58Å; F479-V500 HydrophobicContact CE2-CG2 4.36Å; Y496-V500 WeakPolarHBondContact O-CG2 3.45Å; Y496-V500 PolarHBondContact O-N 3.39Å; C497-V500 WeakPolarHBondContact O-CB 3.19Å; C497-V500 PolarHBondContact O-N 3.14Å; I498-V500 VanDerWaalsContact C-N 3.34Å; I498-V500 PolarHBondContact O-N 2.99Å; V500-L503 PolarHBondContact O-N 2.96Å; V500-A504 PolarHBondContact O-N 3.28Å; V500-L514 HydrophobicContact CG1-CD2 4.15Å; V500-I518 HydrophobicContact CG1-CD1 4.32Å; V500-L544 HydrophobicContact CB-CD1 4.48Å; V500-L544 HydrophobicContact CB-CD2 4.15Å; V500-L544 HydrophobicContact CG1-CB 4.37Å; V500-L544 HydrophobicContact CG1-CD1 4.06Å; V500-L544 HydrophobicContact CG1-CD2 3.96Å; V500-L544 HydrophobicContact CG1-CG 4.35Å
501N97.9Very high93.3Very high42 Ų4234 Ų3423%0.22516%0.163CC..Hα-helixtrans-62.2-49.1177.5-77-4.6000111.2C497 I498 V499 L503 A504 E505 L544 H547C497-N501 PolarHBondContact O-N 3.2Å; I498-N501 PolarHBondContact O-N 3.4Å; V499-N501 PolarHBondContact O-N 2.98Å; N501-L503 VanDerWaalsContact C-N 3.29Å; N501-L503 PolarHBondContact O-N 2.95Å; N501-A504 WeakPolarHBondContact O-CA 3.47Å; N501-A504 WeakPolarHBondContact O-CB 3.15Å; N501-A504 PolarHBondContact O-N 3.22Å; N501-E505 PolarHBondContact O-N 2.91Å; N501-E505 VanDerWaalsContact O-N 3.08Å; N501-L544 VanDerWaalsContact OD1-CD2 3.27Å; N501-L544 WeakPolarHBondContact OD1-CD2 3.37Å; N501-H547 VanDerWaalsContact CA-CD2 3.5Å; N501-H547 WeakPolarHBondContact CA-CD2 3.1Å; N501-H547 VanDerWaalsContact CB-CD2 3.41Å; N501-H547 WeakPolarHBondContact CB-CD2 3.47Å; N501-H547 WeakPolarHBondContact CB-NE2 3.39Å; N501-H547 VanDerWaalsContact CG-CG 3.45Å; N501-H547 PolarHBondContact O-NE2 3.2Å; N501-H547 WeakPolarHBondContact OD1-CB 3.43Å; N501-H547 PolarHBondContact OD1-CD2 3.22Å; N501-H547 VanDerWaalsContact OD1-CD2 3.3Å
502E97.9Very high93.5Very high50 Ų5030.5 Ų30.523%0.23415%0.145CC..Hα-helixtrans-58.9-40177.5-168.774.8-156.300111.9L459 L462 I498 V499 A504 E505 V506L459-E502 HydrophobicContact CD2-CB 3.68Å; L459-E502 HydrophobicContact CD2-CG 3.72Å; L462-E502 HydrophobicContact CD1-CB 3.89Å; L462-E502 HydrophobicContact CD1-CG 3.68Å; I498-E502 PolarHBondContact O-N 2.85Å; V499-E502 PolarHBondContact O-N 3.25Å; E502-A504 VanDerWaalsContact C-N 3.27Å; E502-A504 PolarHBondContact O-N 3.13Å; E502-E505 PolarHBondContact O-N 3.38Å; E502-V506 HydrophobicContact CG-CG1 4.08Å; E502-V506 WeakPolarHBondContact O-CG1 3.29Å; E502-V506 WeakPolarHBondContact O-CG2 3.42Å; E502-V506 PolarHBondContact O-N 2.91Å; E502-V506 WeakPolarHBondContact OE1-CG1 3.46Å
503L97.7Very high93.8Very high0 Ų030.4 Ų30.40%014%0.144CC..Hα-helixtrans-59.5-37.3175.2-73.9171.5000112.3L462 S468 V471 F472 V499 V500 N501 N507 L510 L514L462-L503 HydrophobicContact CD1-CD2 4.29Å; L462-L503 HydrophobicContact CD1-CG 4.38Å; L462-L503 HydrophobicContact CD2-CD2 3.78Å; S468-L503 WeakPolarHBondContact O-CD2 3.39Å; V471-L503 HydrophobicContact CG1-CD1 4.45Å; F472-L503 HydrophobicContact CB-CD1 4.16Å; V499-L503 HydrophobicContact CG1-CD1 4.15Å; V499-L503 HydrophobicContact CG1-CG 4.38Å; V499-L503 WeakPolarHBondContact O-CB 3.41Å; V499-L503 VanDerWaalsContact O-CG 3.24Å; V499-L503 WeakPolarHBondContact O-CG 3.34Å; V499-L503 PolarHBondContact O-N 3.1Å; V500-L503 PolarHBondContact O-N 2.96Å; N501-L503 VanDerWaalsContact C-N 3.29Å; N501-L503 PolarHBondContact O-N 2.95Å; L503-N507 PolarHBondContact O-N 2.91Å; L503-N507 VanDerWaalsContact O-N 3.14Å; L503-L510 HydrophobicContact CD2-CD1 3.99Å; L503-L514 HydrophobicContact CB-CD1 4.17Å; L503-L514 HydrophobicContact CB-CD2 4.39Å; L503-L514 HydrophobicContact CD1-CD2 4.49Å
504A95.8Very high94.1Very high3 Ų330.4 Ų30.43%0.02515%0.145CC..Hα-helixtrans-69.9-34.9177.100000112.6V500 N501 E502 R511 L514 L548 C551V500-A504 PolarHBondContact O-N 3.28Å; N501-A504 WeakPolarHBondContact O-CA 3.47Å; N501-A504 WeakPolarHBondContact O-CB 3.15Å; N501-A504 PolarHBondContact O-N 3.22Å; E502-A504 VanDerWaalsContact C-N 3.27Å; E502-A504 PolarHBondContact O-N 3.13Å; A504-R511 PolarHBondContact O-NE 3.02Å; A504-R511 VanDerWaalsContact O-NE 3.14Å; A504-L514 HydrophobicContact CB-CD1 3.84Å; A504-L548 HydrophobicContact CB-CD1 3.81Å; A504-C551 HydrophobicContact CB-CB 4.41Å
505E95.9Very high94.3Very high106 Ų10626 Ų2650%0.49513%0.125SC..Hα-helixtrans-72.2-50.8176.8-68.1-170.5173.500111.9N501 E502 H547N501-E505 PolarHBondContact O-N 2.91Å; N501-E505 VanDerWaalsContact O-N 3.08Å; E502-E505 PolarHBondContact O-N 3.38Å; E505-H547 WeakPolarHBondContact CG-NE2 3.5Å; E505-H547 IonicContact OE1-CE1 3.8Å; E505-H547 PolarHBondContact OE1-CE1 3.25Å; E505-H547 IonicContact OE1-NE2 3.71Å; E505-H547 PolarHBondContact OE1-NE2 2.7Å
506V94.9Very high94.2Very high55 Ų5526.3 Ų26.333%0.33313%0.128SC..Hα-helixtrans-81.2-22.6-171.6-59.70000114L462 E502L462-V506 HydrophobicContact CB-CG2 4.17Å; E502-V506 HydrophobicContact CG-CG1 4.08Å; E502-V506 WeakPolarHBondContact O-CG1 3.29Å; E502-V506 WeakPolarHBondContact O-CG2 3.42Å; E502-V506 PolarHBondContact O-N 2.91Å; E502-V506 WeakPolarHBondContact OE1-CG1 3.46Å
507N92.3Very high94.2Very high6 Ų626.3 Ų26.33%0.03213%0.128CC..  trans-137.494.1-174.1-167.9-19.8000112.7L503 Y509 L510L503-N507 PolarHBondContact O-N 2.91Å; L503-N507 VanDerWaalsContact O-N 3.14Å; N507-Y509 PolarHBondContact O-N 3.24Å; N507-Y509 VanDerWaalsContact O-N 3.14Å; N507-Y509 WeakPolarHBondContact OD1-CB 3.36Å; N507-Y509 WeakPolarHBondContact OD1-CD2 3.45Å; N507-Y509 PolarHBondContact OD1-N 3.22Å; N507-Y509 VanDerWaalsContact OD1-N 3.07Å; N507-L510 HydrophobicContact CB-CB 4.42Å; N507-L510 HydrophobicContact CB-CD1 4.03Å; N507-L510 HydrophobicContact CB-CG 4.26Å; N507-L510 PolarHBondContact O-N 3.45Å; N507-L510 VanDerWaalsContact O-N 3.08Å
508E90.4Very high94.1Very high89 Ų8925.8 Ų25.842%0.41612%0.124SC..G310 helixtrans-57.9-26.4177.166.6-178.8177.300114.6Q188 L510 R511Q188-E508 PolarHBondContact NE2-O 3.47Å; E508-L510 VanDerWaalsContact C-N 3.28Å; E508-L510 PolarHBondContact O-N 2.95Å; E508-R511 WeakPolarHBondContact O-CB 3.47Å; E508-R511 WeakPolarHBondContact O-CG 3.46Å; E508-R511 PolarHBondContact O-N 3.27Å
509Y87.8Confident94Very high72 Ų7223.5 Ų23.528%0.28211%0.113SC..G310 helixtrans-75.3-20-179.4-53.8-70.2000112.3N187 M191 N507N187-Y509 HydrophobicContact CB-CD1 3.73Å; N187-Y509 HydrophobicContact CB-CE1 3.81Å; M191-Y509 WeakPolarHBondContact CB-O 3.38Å; M191-Y509 WeakPolarHBondContact CG-O 3.38Å; N507-Y509 PolarHBondContact O-N 3.24Å; N507-Y509 VanDerWaalsContact O-N 3.14Å; N507-Y509 WeakPolarHBondContact OD1-CB 3.36Å; N507-Y509 WeakPolarHBondContact OD1-CD2 3.45Å; N507-Y509 PolarHBondContact OD1-N 3.22Å; N507-Y509 VanDerWaalsContact OD1-N 3.07Å
510L91.5Very high93.6Very high0 Ų027.1 Ų27.10%013%0.13CC..G310 helixtrans-84-14.2176-74.6177.1000113.1M191 F472 L503 N507 E508 A513 L514M191-L510 HydrophobicContact CE-CD2 3.61Å; M191-L510 HydrophobicContact CE-CG 4Å; M191-L510 HydrophobicContact CG-CD2 4.01Å; F472-L510 HydrophobicContact CB-CD1 4.16Å; F472-L510 HydrophobicContact CB-CD2 4.22Å; F472-L510 HydrophobicContact CD1-CD2 4.41Å; F472-L510 HydrophobicContact CD2-CD2 4.44Å; F472-L510 HydrophobicContact CG-CD2 4.09Å; L503-L510 HydrophobicContact CD2-CD1 3.99Å; N507-L510 HydrophobicContact CB-CB 4.42Å; N507-L510 HydrophobicContact CB-CD1 4.03Å; N507-L510 HydrophobicContact CB-CG 4.26Å; N507-L510 PolarHBondContact O-N 3.45Å; N507-L510 VanDerWaalsContact O-N 3.08Å; E508-L510 VanDerWaalsContact C-N 3.28Å; E508-L510 PolarHBondContact O-N 2.95Å; L510-A513 CarbonylContact O-C 3.54Å; L510-A513 WeakPolarHBondContact O-CA 3.43Å; L510-A513 WeakPolarHBondContact O-CB 3.21Å; L510-A513 PolarHBondContact O-N 2.89Å; L510-L514 HydrophobicContact CB-CD1 4.05Å; L510-L514 HydrophobicContact CB-CG 4.32Å; L510-L514 VanDerWaalsContact O-CG 3.32Å; L510-L514 WeakPolarHBondContact O-CG 3.48Å; L510-L514 PolarHBondContact O-N 3.48Å
511R92.3Very high93.3Very high46 Ų4627.1 Ų27.117%0.17413%0.13CC..Hα-helixtrans-54.3-45-175.3-65.8177.5-174.3154.73.8114.5A504 E508 A513 L514 L515 L548 C551 H553A504-R511 PolarHBondContact O-NE 3.02Å; A504-R511 VanDerWaalsContact O-NE 3.14Å; E508-R511 WeakPolarHBondContact O-CB 3.47Å; E508-R511 WeakPolarHBondContact O-CG 3.46Å; E508-R511 PolarHBondContact O-N 3.27Å; R511-A513 VanDerWaalsContact C-N 3.31Å; R511-A513 PolarHBondContact O-N 3.21Å; R511-L514 PolarHBondContact O-N 2.92Å; R511-L515 WeakPolarHBondContact O-CB 3.41Å; R511-L515 PolarHBondContact O-N 3.47Å; R511-L548 HydrophobicContact CB-CD1 3.79Å; R511-L548 HydrophobicContact CG-CD1 3.73Å; R511-C551 PolarHBondContact NE-O 3.02Å; R511-C551 PolarHBondContact NH1-O 2.97Å; R511-C551 VanDerWaalsContact NH1-O 3.15Å; R511-C551 PolarHBondContact NH2-O 3.26Å; R511-H553 HydrophobicContact CB-CB 4.36Å
512P88.9Confident93Very high0 Ų025.1 Ų25.10%012%0.119CC..Hα-helixtrans-63-38.1173.3-14.824000112.7Q188 Y192 F234 V235 L515 A516Q188-P512 HydrophobicContact CB-CG 3.49Å; Q188-P512 VanDerWaalsContact CB-CG 3.49Å; Q188-P512 HydrophobicContact CG-CG 3.51Å; Y192-P512 HydrophobicContact CD2-CB 4.21Å; F234-P512 HydrophobicContact CB-CB 4.43Å; F234-P512 WeakPolarHBondContact O-CA 3.49Å; F234-P512 WeakPolarHBondContact O-CB 3.43Å; V235-P512 HydrophobicContact CG2-CB 4.46Å; P512-L515 PolarHBondContact O-N 3.4Å; P512-A516 PolarHBondContact O-N 3.08Å
513A91.6Very high92.6Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-69.1-40.1-178.900000111.5Y192 A195 F196 F472 L510 R511 F517Y192-A513 HydrophobicContact CD2-CB 4.32Å; A195-A513 HydrophobicContact CB-CB 4.07Å; F196-A513 HydrophobicContact CE2-CB 3.98Å; F196-A513 WeakPolarHBondContact CZ-O 3.32Å; F472-A513 HydrophobicContact CE1-CB 4.13Å; F472-A513 HydrophobicContact CE2-CB 4.01Å; F472-A513 HydrophobicContact CZ-CB 3.58Å; L510-A513 CarbonylContact O-C 3.54Å; L510-A513 WeakPolarHBondContact O-CA 3.43Å; L510-A513 WeakPolarHBondContact O-CB 3.21Å; L510-A513 PolarHBondContact O-N 2.89Å; R511-A513 VanDerWaalsContact C-N 3.31Å; R511-A513 PolarHBondContact O-N 3.21Å; A513-F517 VanDerWaalsContact O-CB 3.22Å; A513-F517 WeakPolarHBondContact O-CB 3.43Å; A513-F517 PolarHBondContact O-N 3.32Å
514L95.1Very high92.1Very high1 Ų126.3 Ų26.31%0.00514%0.135CC..Hα-helixtrans-63.3-46.2172.7-67.7165.8000111F472 V500 L503 A504 L510 R511 A516 F517 I518 L548F472-L514 HydrophobicContact CD2-CD2 3.64Å; F472-L514 HydrophobicContact CD2-CG 4.2Å; F472-L514 HydrophobicContact CE2-CD2 3.74Å; F472-L514 HydrophobicContact CE2-CG 4.1Å; V500-L514 HydrophobicContact CG1-CD2 4.15Å; L503-L514 HydrophobicContact CB-CD1 4.17Å; L503-L514 HydrophobicContact CB-CD2 4.39Å; L503-L514 HydrophobicContact CD1-CD2 4.49Å; A504-L514 HydrophobicContact CB-CD1 3.84Å; L510-L514 HydrophobicContact CB-CD1 4.05Å; L510-L514 HydrophobicContact CB-CG 4.32Å; L510-L514 VanDerWaalsContact O-CG 3.32Å; L510-L514 WeakPolarHBondContact O-CG 3.48Å; L510-L514 PolarHBondContact O-N 3.48Å; R511-L514 PolarHBondContact O-N 2.92Å; L514-A516 PolarHBondContact O-N 3.12Å; L514-F517 PolarHBondContact O-N 3.08Å; L514-I518 WeakPolarHBondContact O-CB 3.27Å; L514-I518 WeakPolarHBondContact O-CD1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.23Å; L514-I518 PolarHBondContact O-N 2.91Å; L514-L548 HydrophobicContact CB-CD2 4.31Å
515L94.6Very high91.5Very high0 Ų029.5 Ų29.50%016%0.158CC..Hα-helixtrans-58.1-48.9177.1179.954.6000111.3F234 R511 P512 I518 T519 L545 L548 P556 V557 T560F234-L515 HydrophobicContact CB-CD2 4.35Å; F234-L515 HydrophobicContact CD1-CB 4.28Å; F234-L515 HydrophobicContact CD1-CD2 3.79Å; F234-L515 HydrophobicContact CD1-CG 3.58Å; F234-L515 HydrophobicContact CE1-CG 4.18Å; R511-L515 WeakPolarHBondContact O-CB 3.41Å; R511-L515 PolarHBondContact O-N 3.47Å; P512-L515 PolarHBondContact O-N 3.4Å; L515-I518 PolarHBondContact O-N 3.24Å; L515-T519 VanDerWaalsContact O-CB 3.27Å; L515-T519 WeakPolarHBondContact O-CB 3.5Å; L515-T519 PolarHBondContact O-N 3.39Å; L515-T519 PolarHBondContact O-OG1 3.46Å; L515-L545 HydrophobicContact CD1-CD2 3.5Å; L515-L548 HydrophobicContact CB-CD2 3.68Å; L515-L548 HydrophobicContact CD1-CD2 4.32Å; L515-P556 HydrophobicContact CD2-CB 3.69Å; L515-V557 HydrophobicContact CD1-CG2 3.92Å; L515-V557 HydrophobicContact CD2-CG2 4.35Å; L515-T560 HydrophobicContact CD1-CG2 4.3Å
516A91.2Very high90.8Very high6 Ų625.1 Ų25.15%0.0514%0.138CC..Hα-helixtrans-64.7-42.4179.400000112.9Y192 F196 F234 P512 L514 T519 E520Y192-A516 HydrophobicContact CD2-CB 4.41Å; Y192-A516 HydrophobicContact CE2-CB 3.44Å; Y192-A516 VanDerWaalsContact CE2-CB 3.44Å; F196-A516 HydrophobicContact CE2-CB 4.08Å; F196-A516 HydrophobicContact CZ-CB 3.95Å; F234-A516 HydrophobicContact CD1-CB 4.15Å; F234-A516 HydrophobicContact CD2-CB 3.48Å; F234-A516 VanDerWaalsContact CD2-CB 3.48Å; F234-A516 HydrophobicContact CE1-CB 4.13Å; F234-A516 HydrophobicContact CE2-CB 3.47Å; F234-A516 VanDerWaalsContact CE2-CB 3.47Å; F234-A516 HydrophobicContact CG-CB 3.81Å; F234-A516 HydrophobicContact CZ-CB 3.8Å; P512-A516 PolarHBondContact O-N 3.08Å; L514-A516 PolarHBondContact O-N 3.12Å; A516-T519 WeakPolarHBondContact O-CB 3.26Å; A516-T519 PolarHBondContact O-N 2.92Å; A516-E520 WeakPolarHBondContact O-CB 3.47Å; A516-E520 PolarHBondContact O-N 3.41Å
517F93.6Very high90Very high0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-59.8-47.3175.3166-120.4000111.9F196 F472 V475 R476 F479 H480 A513 L514 T519 E520 L521F196-F517 HydrophobicContact CZ-CB 4.23Å; F472-F517 HydrophobicContact CE2-CB 4.36Å; F472-F517 HydrophobicContact CZ-CB 4.34Å; V475-F517 HydrophobicContact CG1-CE1 3.95Å; V475-F517 HydrophobicContact CG1-CZ 4.18Å; R476-F517 HydrophobicContact CB-CE2 4.28Å; R476-F517 HydrophobicContact CG-CD2 3.75Å; R476-F517 HydrophobicContact CG-CE2 3.93Å; R476-F517 HydrophobicContact CG-CG 4.06Å; R476-F517 HydrophobicContact CG-CZ 4.39Å; F479-F517 HydrophobicContact CB-CE2 4.09Å; F479-F517 HydrophobicContact CB-CZ 3.69Å; F479-F517 HydrophobicContact CD1-CZ 4.47Å; F479-F517 HydrophobicContact CD2-CE1 4.38Å; F479-F517 AromaticContact CD2-CZ 3.82Å; F479-F517 HydrophobicContact CD2-CZ 3.82Å; F479-F517 AromaticContact CG-CZ 3.76Å; F479-F517 HydrophobicContact CG-CZ 3.76Å; H480-F517 AromaticContact CE1-CE2 3.97Å; A513-F517 VanDerWaalsContact O-CB 3.22Å; A513-F517 WeakPolarHBondContact O-CB 3.43Å; A513-F517 PolarHBondContact O-N 3.32Å; L514-F517 PolarHBondContact O-N 3.08Å; F517-T519 VanDerWaalsContact C-N 3.29Å; F517-T519 PolarHBondContact O-N 3.4Å; F517-E520 WeakPolarHBondContact O-CB 3.41Å; F517-E520 PolarHBondContact O-N 3.33Å; F517-L521 HydrophobicContact CD2-CD1 4.23Å; F517-L521 HydrophobicContact CD2-CG 4.27Å; F517-L521 HydrophobicContact CE1-CD1 4.03Å; F517-L521 HydrophobicContact CE2-CD1 3.58Å; F517-L521 HydrophobicContact CE2-CD2 4.21Å; F517-L521 HydrophobicContact CE2-CG 3.9Å; F517-L521 HydrophobicContact CZ-CD1 3.48Å; F517-L521 VanDerWaalsContact CZ-CD1 3.48Å; F517-L521 HydrophobicContact CZ-CG 4.32Å; F517-L521 WeakPolarHBondContact O-CG 3.47Å; F517-L521 PolarHBondContact O-N 3.42Å; F517-L521 VanDerWaalsContact O-N 3.13Å
518I95Very high89.3Confident1 Ų132.7 Ų32.71%0.00519%0.186CC..Hα-helixtrans-66.6-36178.5-61.1158.5000110.6V500 L514 L515 L521 L522 L541 L544 L545V500-I518 HydrophobicContact CG1-CD1 4.32Å; L514-I518 WeakPolarHBondContact O-CB 3.27Å; L514-I518 WeakPolarHBondContact O-CD1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.23Å; L514-I518 PolarHBondContact O-N 2.91Å; L515-I518 PolarHBondContact O-N 3.24Å; I518-L521 PolarHBondContact O-N 3.41Å; I518-L522 VanDerWaalsContact O-CB 3.3Å; I518-L522 WeakPolarHBondContact O-CB 3.35Å; I518-L522 PolarHBondContact O-N 2.84Å; I518-L541 HydrophobicContact CG2-CB 4.18Å; I518-L544 HydrophobicContact CD1-CB 3.69Å; I518-L544 HydrophobicContact CG1-CB 4.28Å; I518-L544 HydrophobicContact CG1-CD1 4.4Å; I518-L545 HydrophobicContact CB-CD2 3.87Å; I518-L545 HydrophobicContact CB-CG 4.49Å; I518-L545 HydrophobicContact CD1-CD2 4.19Å; I518-L545 HydrophobicContact CG2-CD1 4.35Å; I518-L545 HydrophobicContact CG2-CD2 3.56Å; I518-L545 HydrophobicContact CG2-CG 3.64Å
519T93.2Very high89Confident13 Ų1329.1 Ų29.18%0.0817%0.169CC..Hα-helixtrans-63.8-44.4176.3-59.30000111.7F234 L515 A516 F517 L521 L522 A523 T560 L564F234-T519 HydrophobicContact CE1-CG2 3.85Å; F234-T519 WeakPolarHBondContact CE1-OG1 3.42Å; F234-T519 HydrophobicContact CZ-CG2 3.9Å; L515-T519 VanDerWaalsContact O-CB 3.27Å; L515-T519 WeakPolarHBondContact O-CB 3.5Å; L515-T519 PolarHBondContact O-N 3.39Å; L515-T519 PolarHBondContact O-OG1 3.46Å; A516-T519 WeakPolarHBondContact O-CB 3.26Å; A516-T519 PolarHBondContact O-N 2.92Å; F517-T519 VanDerWaalsContact C-N 3.29Å; F517-T519 PolarHBondContact O-N 3.4Å; T519-L521 VanDerWaalsContact C-N 3.34Å; T519-L521 PolarHBondContact O-N 3.48Å; T519-L522 PolarHBondContact O-N 3.21Å; T519-A523 VanDerWaalsContact O-CB 3.28Å; T519-A523 WeakPolarHBondContact O-CB 3.44Å; T519-A523 PolarHBondContact O-N 3.42Å; T519-T560 HydrophobicContact CG2-CG2 3.75Å; T519-T560 VanDerWaalsContact OG1-CG2 3.3Å; T519-T560 WeakPolarHBondContact OG1-CG2 3.32Å; T519-L564 HydrophobicContact CG2-CD1 3.99Å; T519-L564 HydrophobicContact CG2-CD2 3.96Å; T519-L564 HydrophobicContact CG2-CG 4.21Å
520E91Very high89Confident77 Ų7732.5 Ų32.536%0.3619%0.188SC..Hα-helixtrans-57.2-46.6174.7-178.7-171.2171.500111H480 A516 F517 S524H480-E520 IonicContact CE1-OE1 3.54Å; H480-E520 IonicContact NE2-OE1 3.09Å; H480-E520 PolarHBondContact NE2-OE1 2.92Å; A516-E520 WeakPolarHBondContact O-CB 3.47Å; A516-E520 PolarHBondContact O-N 3.41Å; F517-E520 WeakPolarHBondContact O-CB 3.41Å; F517-E520 PolarHBondContact O-N 3.33Å; E520-S524 WeakPolarHBondContact O-CB 3.36Å; E520-S524 PolarHBondContact O-N 2.88Å; E520-S524 PolarHBondContact O-OG 3.4Å
521L91.3Very high88.8Confident2 Ų239.2 Ų39.21%0.0122%0.224CC..Hα-helixtrans-66-37.7176.5-65.4-178.9000112.8F479 F517 I518 T519 S524 L541F479-L521 HydrophobicContact CB-CD1 4.07Å; F479-L521 HydrophobicContact CB-CD2 4.38Å; F479-L521 HydrophobicContact CD1-CD1 3.6Å; F479-L521 HydrophobicContact CE1-CD1 4.26Å; F479-L521 HydrophobicContact CG-CD1 4Å; F517-L521 HydrophobicContact CD2-CD1 4.23Å; F517-L521 HydrophobicContact CD2-CG 4.27Å; F517-L521 HydrophobicContact CE1-CD1 4.03Å; F517-L521 HydrophobicContact CE2-CD1 3.58Å; F517-L521 HydrophobicContact CE2-CD2 4.21Å; F517-L521 HydrophobicContact CE2-CG 3.9Å; F517-L521 HydrophobicContact CZ-CD1 3.48Å; F517-L521 VanDerWaalsContact CZ-CD1 3.48Å; F517-L521 HydrophobicContact CZ-CG 4.32Å; F517-L521 WeakPolarHBondContact O-CG 3.47Å; F517-L521 PolarHBondContact O-N 3.42Å; F517-L521 VanDerWaalsContact O-N 3.13Å; I518-L521 PolarHBondContact O-N 3.41Å; T519-L521 VanDerWaalsContact C-N 3.34Å; T519-L521 PolarHBondContact O-N 3.48Å; L521-S524 PolarHBondContact O-OG 2.95Å; L521-L541 HydrophobicContact CB-CD1 3.64Å; L521-L541 HydrophobicContact CB-CD2 4.26Å; L521-L541 HydrophobicContact CD1-CD2 3.95Å
522L91.5Very high88.5Confident0 Ų042.4 Ų42.40%024%0.244CC..Hα-helixtrans-73-35.5-178.6-170.664.3000112.5I518 T519 S524 K538 L541 V542 L545 M561 L564 V570 I574I518-L522 VanDerWaalsContact O-CB 3.3Å; I518-L522 WeakPolarHBondContact O-CB 3.35Å; I518-L522 PolarHBondContact O-N 2.84Å; T519-L522 PolarHBondContact O-N 3.21Å; L522-S524 VanDerWaalsContact C-N 3.31Å; L522-K538 HydrophobicContact CD1-CB 3.89Å; L522-K538 HydrophobicContact CD1-CD 4.27Å; L522-K538 HydrophobicContact CD1-CG 3.97Å; L522-L541 HydrophobicContact CB-CD1 4.4Å; L522-L541 HydrophobicContact CD1-CB 4.36Å; L522-L541 HydrophobicContact CD1-CD1 4.4Å; L522-V542 HydrophobicContact CD1-CG2 4.49Å; L522-L545 HydrophobicContact CD2-CD1 4.04Å; L522-M561 HydrophobicContact CD2-SD 4.2Å; L522-L564 HydrophobicContact CD2-CD1 3.85Å; L522-V570 HydrophobicContact CD2-CG2 3.98Å; L522-V570 HydrophobicContact CG-CG2 3.8Å; L522-I574 HydrophobicContact CD1-CG2 4.14Å
523A89.1Confident88.4Confident36 Ų3643.8 Ų43.830%0.29825%0.253SS..Hα-helixtrans-78.1-14.7178.800000113.4T519 L564 R569T519-A523 VanDerWaalsContact O-CB 3.28Å; T519-A523 WeakPolarHBondContact O-CB 3.44Å; T519-A523 PolarHBondContact O-N 3.42Å; A523-L564 HydrophobicContact CB-CD2 4.09Å; A523-R569 HydrophobicContact CB-CB 4.4Å
524S87.4Confident88.2Confident40 Ų4045.3 Ų45.328%0.2826%0.261SS..SBendtrans-99.2157176.655.90000112.1E520 L521 L522E520-S524 WeakPolarHBondContact O-CB 3.36Å; E520-S524 PolarHBondContact O-N 2.88Å; E520-S524 PolarHBondContact O-OG 3.4Å; L521-S524 PolarHBondContact O-OG 2.95Å; L522-S524 VanDerWaalsContact C-N 3.31Å
525S82.8Confident88Confident70 Ų7047.5 Ų47.549%0.4927%0.272SS..  trans-102.1139.2169.651.30000109.9E527S525-E527 PolarHBondContact O-N 2.92Å
526V80.8Confident87.8Confident14 Ų1452 Ų529%0.08529%0.293CS..  trans-80.4109170.9-176.50000107.6R483 G528 M529 Y537R483-V526 HydrophobicContact CB-CG1 4.11Å; R483-V526 HydrophobicContact CG-CG1 4.32Å; V526-G528 PolarHBondContact O-N 3.46Å; V526-M529 HydrophobicContact CB-CB 4.01Å; V526-M529 HydrophobicContact CB-SD 4.08Å; V526-M529 HydrophobicContact CG1-CB 4.13Å; V526-M529 HydrophobicContact CG1-SD 4.46Å; V526-M529 HydrophobicContact CG2-SD 4.34Å; V526-M529 WeakPolarHBondContact O-CB 3.37Å; V526-M529 PolarHBondContact O-N 3.22Å; V526-Y537 HydrophobicContact CG2-CD1 3.91Å; V526-Y537 HydrophobicContact CG2-CE1 3.58Å
527E78.6Confident87.7Confident158 Ų15852.1 Ų52.174%0.73829%0.292SS*.THydrogen-bonded Turntrans-60.4132.7176.6-65.4-178.6-175.800110.5S525S525-E527 PolarHBondContact O-N 2.92Å
528G78.8Confident87.7Confident62 Ų6253 Ų5364%0.63930%0.296SS*.THydrogen-bonded Turntrans96-26.5-178.100000114.7E487 V526E487-G528 VanDerWaalsContact OE1-O 3.12Å; V526-G528 PolarHBondContact O-N 3.46Å
529M83.5Confident87.7Confident13 Ų1358.1 Ų58.16%0.06432%0.315CS..  trans-70.9131.7-177.4-166.1172.5-142.300112.3E487 M490 V526 S533 Q534 Y537E487-M529 HydrophobicContact CG-CB 4.39Å; E487-M529 HydrophobicContact CG-CG 4.41Å; M490-M529 HydrophobicContact SD-CE 3.47Å; M490-M529 WeakPolarHBondContact SD-CE 3.32Å; V526-M529 HydrophobicContact CB-CB 4.01Å; V526-M529 HydrophobicContact CB-SD 4.08Å; V526-M529 HydrophobicContact CG1-CB 4.13Å; V526-M529 HydrophobicContact CG1-SD 4.46Å; V526-M529 HydrophobicContact CG2-SD 4.34Å; V526-M529 WeakPolarHBondContact O-CB 3.37Å; V526-M529 PolarHBondContact O-N 3.22Å; M529-S533 WeakPolarHBondContact CE-O 3.33Å; M529-Q534 HydrophobicContact CG-CB 4.2Å; M529-Q534 VanDerWaalsContact SD-CA 3.59Å; M529-Q534 HydrophobicContact SD-CB 4.16Å; M529-Y537 HydrophobicContact CE-CG 4.47Å; M529-Y537 HydrophobicContact SD-CG 4.36Å
530E86.4Confident87.7Confident144 Ų14459.8 Ų59.867%0.67332%0.323SS*.  trans-61.6148.4174.1-62.9-175.1174.300111.7L532 S533 Q534E530-L532 VanDerWaalsContact C-N 3.25Å; E530-L532 PolarHBondContact O-N 3.49Å; E530-L532 VanDerWaalsContact O-N 3.12Å; E530-S533 CarbonylContact O-C 3.6Å; E530-S533 WeakPolarHBondContact O-CB 3.09Å; E530-S533 PolarHBondContact O-N 3.3Å; E530-Q534 PolarHBondContact O-N 3.2Å
531D87.7Confident87.9Confident140 Ų14056.1 Ų56.175%0.74931%0.306SS*.Hα-helixtrans-51.6-40.9-176.3-65.6-23.5000113.5Q534 L535D531-Q534 PolarHBondContact O-N 3.37Å; D531-L535 WeakPolarHBondContact O-CB 3.28Å; D531-L535 PolarHBondContact O-N 2.91Å
532L86.9Confident88.1Confident113 Ų11356 Ų5659%0.59231%0.305SS*.Hα-helixtrans-67.9-44.8179.2-17862.7000111.5E530 Q534 L535 E536E530-L532 VanDerWaalsContact C-N 3.25Å; E530-L532 PolarHBondContact O-N 3.49Å; E530-L532 VanDerWaalsContact O-N 3.12Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.32Å; L532-L535 WeakPolarHBondContact O-CB 3.41Å; L532-L535 PolarHBondContact O-N 3.31Å; L532-E536 PolarHBondContact O-N 3.3Å
533S86.8Confident88.4Confident29 Ų2957.7 Ų57.720%0.20332%0.322CS..Hα-helixtrans-65.1-37.6176.4-58.90000111.2M529 E530 L535 E536 Y537M529-S533 WeakPolarHBondContact CE-O 3.33Å; E530-S533 CarbonylContact O-C 3.6Å; E530-S533 WeakPolarHBondContact O-CB 3.09Å; E530-S533 PolarHBondContact O-N 3.3Å; S533-L535 VanDerWaalsContact C-N 3.34Å; S533-L535 PolarHBondContact O-N 3.3Å; S533-E536 PolarHBondContact O-N 3Å; S533-Y537 WeakPolarHBondContact O-CB 3.5Å; S533-Y537 PolarHBondContact O-N 2.92Å
534Q88.1Confident88.8Confident33 Ų3356.2 Ų56.215%0.15431%0.309CS..Hα-helixtrans-64.7-39.1175.2-169.8175.31.300111.7M529 E530 D531 L532 Y537 K538M529-Q534 HydrophobicContact CG-CB 4.2Å; M529-Q534 VanDerWaalsContact SD-CA 3.59Å; M529-Q534 HydrophobicContact SD-CB 4.16Å; E530-Q534 PolarHBondContact O-N 3.2Å; D531-Q534 PolarHBondContact O-N 3.37Å; L532-Q534 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.32Å; Q534-Y537 PolarHBondContact O-N 3Å; Q534-K538 WeakPolarHBondContact O-CG 3.41Å; Q534-K538 PolarHBondContact O-N 3.21Å
535L90Very high89.3Confident46 Ų4654.4 Ų54.424%0.24130%0.297CS..Hα-helixtrans-62.6-45.5173-17574.2000111.4D531 L532 S533 K538 R539 I574D531-L535 WeakPolarHBondContact O-CB 3.28Å; D531-L535 PolarHBondContact O-N 2.91Å; L532-L535 WeakPolarHBondContact O-CB 3.41Å; L532-L535 PolarHBondContact O-N 3.31Å; S533-L535 VanDerWaalsContact C-N 3.34Å; S533-L535 PolarHBondContact O-N 3.3Å; L535-K538 PolarHBondContact O-N 2.93Å; L535-R539 VanDerWaalsContact O-CG 3.32Å; L535-R539 WeakPolarHBondContact O-CG 3.24Å; L535-R539 PolarHBondContact O-N 3.43Å; L535-I574 HydrophobicContact CD1-CD1 3.6Å; L535-I574 HydrophobicContact CD1-CG1 4.22Å
536E89.5Confident90Very high94 Ų9451.6 Ų51.644%0.43928%0.276SS..Hα-helixtrans-63.6-41177-71.7-176.5175.100112.5L532 S533 R539 M540L532-E536 PolarHBondContact O-N 3.3Å; S533-E536 PolarHBondContact O-N 3Å; E536-R539 WeakPolarHBondContact O-CB 3.48Å; E536-R539 PolarHBondContact O-N 2.91Å; E536-M540 PolarHBondContact O-N 3.25Å
537Y91.1Very high90.8Very high9 Ų952.8 Ų52.84%0.03528%0.281CS..Hα-helixtrans-57.9-52173171.8-114.2000111.7M490 M493 V526 M529 S533 Q534 R539 M540 L541M490-Y537 HydrophobicContact CE-CD2 4.14Å; M493-Y537 HydrophobicContact CE-CD2 3.43Å; M493-Y537 VanDerWaalsContact CE-CD2 3.43Å; M493-Y537 HydrophobicContact CE-CE2 3.25Å; M493-Y537 HydrophobicContact SD-CD2 3.82Å; M493-Y537 HydrophobicContact SD-CE2 3.78Å; V526-Y537 HydrophobicContact CG2-CD1 3.91Å; V526-Y537 HydrophobicContact CG2-CE1 3.58Å; M529-Y537 HydrophobicContact CE-CG 4.47Å; M529-Y537 HydrophobicContact SD-CG 4.36Å; S533-Y537 WeakPolarHBondContact O-CB 3.5Å; S533-Y537 PolarHBondContact O-N 2.92Å; Q534-Y537 PolarHBondContact O-N 3Å; Y537-R539 VanDerWaalsContact C-N 3.29Å; Y537-R539 PolarHBondContact O-N 3.44Å; Y537-M540 WeakPolarHBondContact O-CB 3.31Å; Y537-M540 PolarHBondContact O-N 3.06Å; Y537-L541 HydrophobicContact CD1-CD1 4.21Å; Y537-L541 HydrophobicContact CE1-CD1 3.64Å; Y537-L541 HydrophobicContact CE1-CG 4.38Å; Y537-L541 HydrophobicContact CE2-CD1 4.22Å; Y537-L541 HydrophobicContact CE2-CD2 4.1Å; Y537-L541 HydrophobicContact CE2-CG 4.16Å; Y537-L541 WeakPolarHBondContact O-CG 3.42Å; Y537-L541 PolarHBondContact O-N 2.99Å
538K92.8Very high91.7Very high18 Ų1845.4 Ų45.48%0.07825%0.246CC..Hα-helixtrans-62.1-35.2177.8-72.1-171.8-178.9-176.60112.4L522 Q534 L535 L541 V542 D571 I574L522-K538 HydrophobicContact CD1-CB 3.89Å; L522-K538 HydrophobicContact CD1-CD 4.27Å; L522-K538 HydrophobicContact CD1-CG 3.97Å; Q534-K538 WeakPolarHBondContact O-CG 3.41Å; Q534-K538 PolarHBondContact O-N 3.21Å; L535-K538 PolarHBondContact O-N 2.93Å; K538-L541 PolarHBondContact O-N 3.04Å; K538-V542 WeakPolarHBondContact O-CG2 3.39Å; K538-V542 PolarHBondContact O-N 3.13Å; K538-D571 IonicContact NZ-OD2 3.86Å; K538-I574 HydrophobicContact CB-CD1 3.6Å; K538-I574 HydrophobicContact CB-CG1 4.13Å; K538-I574 HydrophobicContact CD-CD1 4.5Å; K538-I574 HydrophobicContact CD-CG1 4.2Å
539R93.9Very high92.5Very high110 Ų11043 Ų4342%0.41522%0.219SC..Hα-helixtrans-63.6-40.4172.7-74-179.9170.9173.9-1.6112.2L535 E536 Y537 L541 V542 G543 I574L535-R539 VanDerWaalsContact O-CG 3.32Å; L535-R539 WeakPolarHBondContact O-CG 3.24Å; L535-R539 PolarHBondContact O-N 3.43Å; E536-R539 WeakPolarHBondContact O-CB 3.48Å; E536-R539 PolarHBondContact O-N 2.91Å; Y537-R539 VanDerWaalsContact C-N 3.29Å; Y537-R539 PolarHBondContact O-N 3.44Å; R539-L541 VanDerWaalsContact C-N 3.32Å; R539-L541 PolarHBondContact O-N 2.85Å; R539-V542 WeakPolarHBondContact O-CB 3.33Å; R539-V542 PolarHBondContact O-N 2.9Å; R539-G543 PolarHBondContact O-N 3.26Å; R539-I574 HydrophobicContact CG-CD1 4.12Å
540M93.5Very high93Very high48 Ų4845.4 Ų45.424%0.23624%0.237CC..Hα-helixtrans-62-42174.8-168.6171.5-66.100111.4M490 M493 K494 E536 Y537 G543 L544M490-M540 HydrophobicContact CE-CE 3.87Å; M490-M540 HydrophobicContact CE-SD 4.09Å; M493-M540 HydrophobicContact CB-SD 3.97Å; M493-M540 HydrophobicContact CG-SD 3.88Å; M493-M540 HydrophobicContact SD-CG 4.43Å; M493-M540 HydrophobicContact SD-SD 3.55Å; K494-M540 HydrophobicContact CG-CE 4.49Å; E536-M540 PolarHBondContact O-N 3.25Å; Y537-M540 WeakPolarHBondContact O-CB 3.31Å; Y537-M540 PolarHBondContact O-N 3.06Å; M540-G543 PolarHBondContact O-N 3.42Å; M540-G543 VanDerWaalsContact O-N 3.17Å; M540-L544 PolarHBondContact O-N 3.1Å
541L95.3Very high93.4Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-63.3-40.4174-62.4-179.4000112.6F479 I518 L521 L522 Y537 K538 R539 G543 L544 L545F479-L541 HydrophobicContact CE1-CD2 4.34Å; I518-L541 HydrophobicContact CG2-CB 4.18Å; L521-L541 HydrophobicContact CB-CD1 3.64Å; L521-L541 HydrophobicContact CB-CD2 4.26Å; L521-L541 HydrophobicContact CD1-CD2 3.95Å; L522-L541 HydrophobicContact CB-CD1 4.4Å; L522-L541 HydrophobicContact CD1-CB 4.36Å; L522-L541 HydrophobicContact CD1-CD1 4.4Å; Y537-L541 HydrophobicContact CD1-CD1 4.21Å; Y537-L541 HydrophobicContact CE1-CD1 3.64Å; Y537-L541 HydrophobicContact CE1-CG 4.38Å; Y537-L541 HydrophobicContact CE2-CD1 4.22Å; Y537-L541 HydrophobicContact CE2-CD2 4.1Å; Y537-L541 HydrophobicContact CE2-CG 4.16Å; Y537-L541 WeakPolarHBondContact O-CG 3.42Å; Y537-L541 PolarHBondContact O-N 2.99Å; K538-L541 PolarHBondContact O-N 3.04Å; R539-L541 VanDerWaalsContact C-N 3.32Å; R539-L541 PolarHBondContact O-N 2.85Å; L541-G543 VanDerWaalsContact C-N 3.26Å; L541-G543 PolarHBondContact O-N 2.97Å; L541-L544 HydrophobicContact CD2-CD1 4.11Å; L541-L544 WeakPolarHBondContact O-CB 3.4Å; L541-L544 PolarHBondContact O-N 3.44Å; L541-L544 VanDerWaalsContact O-N 3.08Å; L541-L545 PolarHBondContact O-N 2.88Å; L541-L545 VanDerWaalsContact O-N 3.12Å
542V96.9Very high93.6Very high0 Ų035.2 Ų35.20%020%0.2CC..Hα-helixtrans-58.9-40172.3165.10000111L522 K538 R539 L544 L545 V546 I574 F578L522-V542 HydrophobicContact CD1-CG2 4.49Å; K538-V542 WeakPolarHBondContact O-CG2 3.39Å; K538-V542 PolarHBondContact O-N 3.13Å; R539-V542 WeakPolarHBondContact O-CB 3.33Å; R539-V542 PolarHBondContact O-N 2.9Å; V542-L544 VanDerWaalsContact C-N 3.25Å; V542-L544 PolarHBondContact O-N 3.24Å; V542-L545 WeakPolarHBondContact O-CB 3.47Å; V542-L545 PolarHBondContact O-N 3.29Å; V542-L545 VanDerWaalsContact O-N 3.08Å; V542-V546 HydrophobicContact CG1-CG2 4.28Å; V542-V546 WeakPolarHBondContact O-CG2 3.46Å; V542-V546 PolarHBondContact O-N 3.18Å; V542-I574 HydrophobicContact CG2-CG2 3.62Å; V542-F578 HydrophobicContact CG1-CB 3.79Å; V542-F578 HydrophobicContact CG1-CD2 4.17Å; V542-F578 HydrophobicContact CG2-CB 4.46Å
543G96.9Very high93.8Very high35 Ų3530 Ų3036%0.36117%0.173SC..Hα-helixtrans-57.3-37.3173.600000113.2R539 M540 L541 V546 H547R539-G543 PolarHBondContact O-N 3.26Å; M540-G543 PolarHBondContact O-N 3.42Å; M540-G543 VanDerWaalsContact O-N 3.17Å; L541-G543 VanDerWaalsContact C-N 3.26Å; L541-G543 PolarHBondContact O-N 2.97Å; G543-V546 PolarHBondContact O-N 3.35Å; G543-H547 PolarHBondContact O-N 3.12Å
544L97.8Very high94.1Very high5 Ų530.7 Ų30.73%0.02618%0.175CC..Hα-helixtrans-67.4-39.3174.3-56174.9000111.8C497 V500 N501 I518 M540 L541 V542 H547 L548C497-L544 HydrophobicContact CB-CD2 3.86Å; V500-L544 HydrophobicContact CB-CD1 4.48Å; V500-L544 HydrophobicContact CB-CD2 4.15Å; V500-L544 HydrophobicContact CG1-CB 4.37Å; V500-L544 HydrophobicContact CG1-CD1 4.06Å; V500-L544 HydrophobicContact CG1-CD2 3.96Å; V500-L544 HydrophobicContact CG1-CG 4.35Å; N501-L544 VanDerWaalsContact OD1-CD2 3.27Å; N501-L544 WeakPolarHBondContact OD1-CD2 3.37Å; I518-L544 HydrophobicContact CD1-CB 3.69Å; I518-L544 HydrophobicContact CG1-CB 4.28Å; I518-L544 HydrophobicContact CG1-CD1 4.4Å; M540-L544 PolarHBondContact O-N 3.1Å; L541-L544 HydrophobicContact CD2-CD1 4.11Å; L541-L544 WeakPolarHBondContact O-CB 3.4Å; L541-L544 PolarHBondContact O-N 3.44Å; L541-L544 VanDerWaalsContact O-N 3.08Å; V542-L544 VanDerWaalsContact C-N 3.25Å; V542-L544 PolarHBondContact O-N 3.24Å; L544-H547 PolarHBondContact O-N 3.18Å; L544-L548 WeakPolarHBondContact O-CB 3.4Å; L544-L548 PolarHBondContact O-N 3.43Å
545L97.4Very high94.3Very high2 Ų230.9 Ų30.91%0.0118%0.177CC..Hα-helixtrans-64.2-42.3174.8-68-179000112.1L515 I518 L522 L541 V542 H547 L548 L549 V557 F578L515-L545 HydrophobicContact CD1-CD2 3.5Å; I518-L545 HydrophobicContact CB-CD2 3.87Å; I518-L545 HydrophobicContact CB-CG 4.49Å; I518-L545 HydrophobicContact CD1-CD2 4.19Å; I518-L545 HydrophobicContact CG2-CD1 4.35Å; I518-L545 HydrophobicContact CG2-CD2 3.56Å; I518-L545 HydrophobicContact CG2-CG 3.64Å; L522-L545 HydrophobicContact CD2-CD1 4.04Å; L541-L545 PolarHBondContact O-N 2.88Å; L541-L545 VanDerWaalsContact O-N 3.12Å; V542-L545 WeakPolarHBondContact O-CB 3.47Å; V542-L545 PolarHBondContact O-N 3.29Å; V542-L545 VanDerWaalsContact O-N 3.08Å; L545-H547 VanDerWaalsContact C-N 3.33Å; L545-L548 PolarHBondContact O-N 3.09Å; L545-L549 WeakPolarHBondContact O-CB 3.36Å; L545-L549 PolarHBondContact O-N 3.48Å; L545-V557 HydrophobicContact CB-CG1 4.09Å; L545-F578 HydrophobicContact CB-CE2 4.44Å
546V97.6Very high94.3Very high11 Ų1128.9 Ų28.97%0.06717%0.167CC..Hα-helixtrans-64.1-41.3177.3174.20000110.4V542 G543 L549 S550 F578 E581 V582 V585V542-V546 HydrophobicContact CG1-CG2 4.28Å; V542-V546 WeakPolarHBondContact O-CG2 3.46Å; V542-V546 PolarHBondContact O-N 3.18Å; G543-V546 PolarHBondContact O-N 3.35Å; V546-L549 WeakPolarHBondContact O-CB 3.35Å; V546-L549 PolarHBondContact O-N 3.04Å; V546-S550 PolarHBondContact O-N 3.34Å; V546-S550 PolarHBondContact O-OG 3.42Å; V546-S550 VanDerWaalsContact O-OG 3.06Å; V546-F578 HydrophobicContact CG2-CD2 4.23Å; V546-E581 HydrophobicContact CG1-CB 4.42Å; V546-E581 HydrophobicContact CG2-CB 3.79Å; V546-V582 HydrophobicContact CG2-CG2 4.18Å; V546-V585 HydrophobicContact CG1-CG2 3.98Å
547H97.9Very high94.5Very high38 Ų3824.5 Ų24.518%0.17615%0.147CC..Hα-helixtrans-63.9-43.9174.3-173.879.4000112.2N501 E505 G543 L544 L545 L549 S550 C551N501-H547 VanDerWaalsContact CA-CD2 3.5Å; N501-H547 WeakPolarHBondContact CA-CD2 3.1Å; N501-H547 VanDerWaalsContact CB-CD2 3.41Å; N501-H547 WeakPolarHBondContact CB-CD2 3.47Å; N501-H547 WeakPolarHBondContact CB-NE2 3.39Å; N501-H547 VanDerWaalsContact CG-CG 3.45Å; N501-H547 PolarHBondContact O-NE2 3.2Å; N501-H547 WeakPolarHBondContact OD1-CB 3.43Å; N501-H547 PolarHBondContact OD1-CD2 3.22Å; N501-H547 VanDerWaalsContact OD1-CD2 3.3Å; E505-H547 WeakPolarHBondContact CG-NE2 3.5Å; E505-H547 IonicContact OE1-CE1 3.8Å; E505-H547 PolarHBondContact OE1-CE1 3.25Å; E505-H547 IonicContact OE1-NE2 3.71Å; E505-H547 PolarHBondContact OE1-NE2 2.7Å; G543-H547 PolarHBondContact O-N 3.12Å; L544-H547 PolarHBondContact O-N 3.18Å; L545-H547 VanDerWaalsContact C-N 3.33Å; H547-L549 VanDerWaalsContact C-N 3.25Å; H547-L549 PolarHBondContact O-N 3.48Å; H547-S550 CarbonylContact O-C 3.42Å; H547-S550 WeakPolarHBondContact O-CA 3.39Å; H547-S550 VanDerWaalsContact O-CB 3.31Å; H547-S550 WeakPolarHBondContact O-CB 3.37Å; H547-S550 PolarHBondContact O-N 3.08Å; H547-C551 PolarHBondContact O-N 2.99Å; H547-C551 PolarHBondContact O-SG 3.33Å
548L96.9Very high94.7Very high3 Ų324 Ų242%0.01615%0.145CC..Hα-helixtrans-60.2-36175.9-176.159.5000112.6A504 R511 L514 L515 L544 L545 C551 H553 V557A504-L548 HydrophobicContact CB-CD1 3.81Å; R511-L548 HydrophobicContact CB-CD1 3.79Å; R511-L548 HydrophobicContact CG-CD1 3.73Å; L514-L548 HydrophobicContact CB-CD2 4.31Å; L515-L548 HydrophobicContact CB-CD2 3.68Å; L515-L548 HydrophobicContact CD1-CD2 4.32Å; L544-L548 WeakPolarHBondContact O-CB 3.4Å; L544-L548 PolarHBondContact O-N 3.43Å; L545-L548 PolarHBondContact O-N 3.09Å; L548-C551 PolarHBondContact O-N 3.4Å; L548-H553 HydrophobicContact CD1-CB 4.13Å; L548-H553 HydrophobicContact CG-CB 3.97Å; L548-H553 WeakPolarHBondContact O-CB 3.35Å; L548-H553 PolarHBondContact O-N 2.74Å; L548-V557 HydrophobicContact CB-CG2 4.45Å; L548-V557 HydrophobicContact CD2-CG2 4.19Å; L548-V557 HydrophobicContact CG-CG2 4.18Å
549L95.5Very high94.7Very high12 Ų1226.8 Ų26.86%0.06316%0.16CC..Hα-helixtrans-62.5-45.6170.5178.7148.7000111L545 V546 H547 C551 G552 V554 V557 I558 V582L545-L549 WeakPolarHBondContact O-CB 3.36Å; L545-L549 PolarHBondContact O-N 3.48Å; V546-L549 WeakPolarHBondContact O-CB 3.35Å; V546-L549 PolarHBondContact O-N 3.04Å; H547-L549 VanDerWaalsContact C-N 3.25Å; H547-L549 PolarHBondContact O-N 3.48Å; L549-C551 VanDerWaalsContact C-N 3.25Å; L549-C551 PolarHBondContact O-N 3.23Å; L549-G552 PolarHBondContact O-N 2.82Å; L549-V554 HydrophobicContact CD1-CG1 4.11Å; L549-V554 HydrophobicContact CG-CB 4.28Å; L549-V554 HydrophobicContact CG-CG1 4.05Å; L549-V554 HydrophobicContact CG-CG2 4.18Å; L549-V554 WeakPolarHBondContact O-CG2 3.5Å; L549-V557 HydrophobicContact CB-CB 4.41Å; L549-V557 HydrophobicContact CB-CG1 4.27Å; L549-V557 HydrophobicContact CB-CG2 4.45Å; L549-V557 HydrophobicContact CD1-CG1 4.29Å; L549-I558 HydrophobicContact CD1-CD1 4.22Å; L549-I558 HydrophobicContact CD1-CG1 3.97Å; L549-V582 HydrophobicContact CD1-CG1 4.24Å; L549-V582 HydrophobicContact CD1-CG2 4.05Å
550S95.3Very high94.5Very high64 Ų6421.6 Ų21.645%0.44814%0.141SC..Hα-helixtrans-62.9-28.4175.3-55.10000113.7V546 H547 G552 V585V546-S550 PolarHBondContact O-N 3.34Å; V546-S550 PolarHBondContact O-OG 3.42Å; V546-S550 VanDerWaalsContact O-OG 3.06Å; H547-S550 CarbonylContact O-C 3.42Å; H547-S550 WeakPolarHBondContact O-CA 3.39Å; H547-S550 VanDerWaalsContact O-CB 3.31Å; H547-S550 WeakPolarHBondContact O-CB 3.37Å; H547-S550 PolarHBondContact O-N 3.08Å; S550-G552 PolarHBondContact O-N 3.5Å; S550-V585 WeakPolarHBondContact OG-CG1 3.45Å
551C94.5Very high94.5Very high21 Ų2119.3 Ų19.314%0.14213%0.13CC..THydrogen-bonded Turntrans-73.70.9172-58.80000113.5A504 R511 H547 L548 L549A504-C551 HydrophobicContact CB-CB 4.41Å; R511-C551 PolarHBondContact NE-O 3.02Å; R511-C551 PolarHBondContact NH1-O 2.97Å; R511-C551 VanDerWaalsContact NH1-O 3.15Å; R511-C551 PolarHBondContact NH2-O 3.26Å; H547-C551 PolarHBondContact O-N 2.99Å; H547-C551 PolarHBondContact O-SG 3.33Å; L548-C551 PolarHBondContact O-N 3.4Å; L549-C551 VanDerWaalsContact C-N 3.25Å; L549-C551 PolarHBondContact O-N 3.23Å
552G91Very high94.4Very high48 Ų4822.1 Ų22.150%0.49514%0.143SC..THydrogen-bonded Turntrans102.13176.900000115.2L549 S550 V554L549-G552 PolarHBondContact O-N 2.82Å; S550-G552 PolarHBondContact O-N 3.5Å; G552-V554 PolarHBondContact O-N 3.27Å; G552-V554 VanDerWaalsContact O-N 3.12Å
553H91.6Very high94Very high4 Ų425.4 Ų25.42%0.01916%0.155CC..  trans-88.948.4178.6-15454.9000112.5F234 R511 L548 P556 V557F234-H553 PolarHBondContact O-CE1 3.47Å; F234-H553 PolarHBondContact O-NE2 2.98Å; R511-H553 HydrophobicContact CB-CB 4.36Å; L548-H553 HydrophobicContact CD1-CB 4.13Å; L548-H553 HydrophobicContact CG-CB 3.97Å; L548-H553 WeakPolarHBondContact O-CB 3.35Å; L548-H553 PolarHBondContact O-N 2.74Å; H553-P556 WeakPolarHBondContact NE2-CB 3.39Å; H553-V557 HydrophobicContact CB-CG2 4.45Å; H553-V557 WeakPolarHBondContact O-CB 3.43Å; H553-V557 WeakPolarHBondContact O-CG2 3.42Å; H553-V557 PolarHBondContact O-N 3.49Å
554V92.5Very high93.8Very high43 Ų4324.4 Ų24.426%0.26114%0.141SC..Hα-helixtrans-68.2-62.5-161.1-176.10000113.5L549 G552 V557 I558 F594L549-V554 HydrophobicContact CD1-CG1 4.11Å; L549-V554 HydrophobicContact CG-CB 4.28Å; L549-V554 HydrophobicContact CG-CG1 4.05Å; L549-V554 HydrophobicContact CG-CG2 4.18Å; L549-V554 WeakPolarHBondContact O-CG2 3.5Å; G552-V554 PolarHBondContact O-N 3.27Å; G552-V554 VanDerWaalsContact O-N 3.12Å; V554-V557 PolarHBondContact O-N 3.16Å; V554-I558 HydrophobicContact CG1-CD1 3.89Å; V554-I558 WeakPolarHBondContact O-CG1 3.47Å; V554-I558 PolarHBondContact O-N 2.97Å; V554-I558 VanDerWaalsContact O-N 3.16Å; V554-F594 HydrophobicContact CG1-CD2 3.58Å; V554-F594 HydrophobicContact CG1-CE2 4.1Å
555L91.7Very high93.5Very high38 Ų3824.8 Ų24.820%0.19914%0.143CC..Hα-helixtrans-62.9-43.3-174.5-62176.4000113V557 I558 N559 F593 A597L555-V557 VanDerWaalsContact C-N 3.31Å; L555-V557 PolarHBondContact O-N 3.29Å; L555-I558 PolarHBondContact O-N 3.33Å; L555-N559 VanDerWaalsContact O-CB 3.31Å; L555-N559 WeakPolarHBondContact O-CB 3.44Å; L555-N559 VanDerWaalsContact O-CG 3.24Å; L555-N559 PolarHBondContact O-N 3.4Å; L555-N559 PolarHBondContact O-ND2 3.47Å; L555-F593 HydrophobicContact CD1-CB 4.19Å; L555-F593 HydrophobicContact CD2-CB 4.22Å; L555-A597 HydrophobicContact CD2-CB 3.85Å
556P90.1Very high93.1Very high4 Ų429.9 Ų29.93%0.02617%0.169CC..Hα-helixtrans-61.4-37.9177.9-28.240000113.3L515 H553 T560L515-P556 HydrophobicContact CD2-CB 3.69Å; H553-P556 WeakPolarHBondContact NE2-CB 3.39Å; P556-T560 WeakPolarHBondContact O-CB 3.38Å; P556-T560 PolarHBondContact O-N 2.84Å; P556-T560 PolarHBondContact O-OG1 3.4Å
557V95.1Very high92.7Very high1 Ų136.6 Ų36.61%0.00619%0.194CC..Hα-helixtrans-63.4-49.7176.3170.90000110.5L515 L545 L548 L549 H553 V554 L555 T560 M561 F578L515-V557 HydrophobicContact CD1-CG2 3.92Å; L515-V557 HydrophobicContact CD2-CG2 4.35Å; L545-V557 HydrophobicContact CB-CG1 4.09Å; L548-V557 HydrophobicContact CB-CG2 4.45Å; L548-V557 HydrophobicContact CD2-CG2 4.19Å; L548-V557 HydrophobicContact CG-CG2 4.18Å; L549-V557 HydrophobicContact CB-CB 4.41Å; L549-V557 HydrophobicContact CB-CG1 4.27Å; L549-V557 HydrophobicContact CB-CG2 4.45Å; L549-V557 HydrophobicContact CD1-CG1 4.29Å; H553-V557 HydrophobicContact CB-CG2 4.45Å; H553-V557 WeakPolarHBondContact O-CB 3.43Å; H553-V557 WeakPolarHBondContact O-CG2 3.42Å; H553-V557 PolarHBondContact O-N 3.49Å; V554-V557 PolarHBondContact O-N 3.16Å; L555-V557 VanDerWaalsContact C-N 3.31Å; L555-V557 PolarHBondContact O-N 3.29Å; V557-T560 PolarHBondContact O-N 2.96Å; V557-M561 PolarHBondContact O-N 3.05Å; V557-F578 HydrophobicContact CG1-CE2 3.74Å; V557-F578 HydrophobicContact CG1-CZ 3.92Å
558I95Very high92.3Very high0 Ų041.7 Ų41.70%022%0.222CC..Hα-helixtrans-63.3-47.8-179.5-63.4169.1000111L549 V554 L555 T560 M561 H562 F578 F594 A597 L598 L601L549-I558 HydrophobicContact CD1-CD1 4.22Å; L549-I558 HydrophobicContact CD1-CG1 3.97Å; V554-I558 HydrophobicContact CG1-CD1 3.89Å; V554-I558 WeakPolarHBondContact O-CG1 3.47Å; V554-I558 PolarHBondContact O-N 2.97Å; V554-I558 VanDerWaalsContact O-N 3.16Å; L555-I558 PolarHBondContact O-N 3.33Å; I558-T560 VanDerWaalsContact C-N 3.3Å; I558-T560 PolarHBondContact O-N 3.11Å; I558-M561 PolarHBondContact O-N 3.32Å; I558-M561 VanDerWaalsContact O-N 3.16Å; I558-H562 PolarHBondContact O-N 2.96Å; I558-F578 HydrophobicContact CG1-CZ 4.4Å; I558-F594 HydrophobicContact CD1-CD2 3.66Å; I558-F594 HydrophobicContact CD1-CE2 3.75Å; I558-A597 HydrophobicContact CB-CB 4.46Å; I558-A597 HydrophobicContact CG2-CB 3.88Å; I558-A597 WeakPolarHBondContact CG2-O 3.34Å; I558-L598 HydrophobicContact CD1-CB 4.4Å; I558-L601 HydrophobicContact CG2-CD1 4.42Å
559N91.6Very high91.9Very high75 Ų7548.9 Ų48.940%0.40125%0.249SC..Hα-helixtrans-63.3-37179.9-72-22.4000112.1L555 H562 R563L555-N559 VanDerWaalsContact O-CB 3.31Å; L555-N559 WeakPolarHBondContact O-CB 3.44Å; L555-N559 VanDerWaalsContact O-CG 3.24Å; L555-N559 PolarHBondContact O-N 3.4Å; L555-N559 PolarHBondContact O-ND2 3.47Å; N559-H562 PolarHBondContact O-N 2.98Å; N559-R563 WeakPolarHBondContact O-CB 3.45Å; N559-R563 PolarHBondContact O-N 3.22Å
560T91.2Very high91.6Very high1 Ų148.7 Ų48.71%0.00625%0.248CC..Hα-helixtrans-65.2-43.7174.4-66.80000111.1G233 F234 L515 T519 P556 V557 I558 H562 R563 L564G233-T560 PolarHBondContact O-OG1 3.21Å; G233-T560 VanDerWaalsContact O-OG1 3.11Å; F234-T560 HydrophobicContact CD1-CG2 4.43Å; F234-T560 HydrophobicContact CE1-CG2 3.84Å; L515-T560 HydrophobicContact CD1-CG2 4.3Å; T519-T560 HydrophobicContact CG2-CG2 3.75Å; T519-T560 VanDerWaalsContact OG1-CG2 3.3Å; T519-T560 WeakPolarHBondContact OG1-CG2 3.32Å; P556-T560 WeakPolarHBondContact O-CB 3.38Å; P556-T560 PolarHBondContact O-N 2.84Å; P556-T560 PolarHBondContact O-OG1 3.4Å; V557-T560 PolarHBondContact O-N 2.96Å; I558-T560 VanDerWaalsContact C-N 3.3Å; I558-T560 PolarHBondContact O-N 3.11Å; T560-H562 VanDerWaalsContact C-N 3.32Å; T560-H562 PolarHBondContact O-N 3.47Å; T560-R563 PolarHBondContact O-N 3.23Å; T560-L564 HydrophobicContact CG2-CD1 4.39Å; T560-L564 WeakPolarHBondContact O-CG 3.5Å; T560-L564 PolarHBondContact O-N 3.18Å
561M93.2Very high91.4Very high1 Ų150 Ų501%0.00525%0.25CS..Hα-helixtrans-63.4-40.3176.7-164.561.4174.200112.1L522 V557 I558 R563 L564 F565 V570 I574 V575 F578 L601L522-M561 HydrophobicContact CD2-SD 4.2Å; V557-M561 PolarHBondContact O-N 3.05Å; I558-M561 PolarHBondContact O-N 3.32Å; I558-M561 VanDerWaalsContact O-N 3.16Å; M561-R563 PolarHBondContact O-N 3.29Å; M561-L564 PolarHBondContact O-N 3.42Å; M561-L564 HydrophobicContact SD-CD1 4.39Å; M561-F565 WeakPolarHBondContact O-CB 3.48Å; M561-F565 PolarHBondContact O-N 2.71Å; M561-V570 HydrophobicContact CE-CG1 4.02Å; M561-I574 HydrophobicContact CE-CG2 4.12Å; M561-V575 VanDerWaalsContact CE-CA 3.49Å; M561-V575 HydrophobicContact CE-CB 4.04Å; M561-V575 HydrophobicContact CE-CG1 4.28Å; M561-V575 HydrophobicContact CE-CG2 3.8Å; M561-F578 HydrophobicContact CB-CD1 4.19Å; M561-F578 HydrophobicContact CB-CE1 3.87Å; M561-F578 HydrophobicContact CB-CZ 4.13Å; M561-F578 HydrophobicContact CE-CB 3.85Å; M561-F578 HydrophobicContact CE-CG 4.23Å; M561-F578 HydrophobicContact CG-CD1 3.61Å; M561-F578 HydrophobicContact CG-CE1 3.82Å; M561-F578 HydrophobicContact CG-CG 3.97Å; M561-F578 HydrophobicContact CG-CZ 4.37Å; M561-F578 HydrophobicContact SD-CG 4.49Å; M561-L601 HydrophobicContact CB-CD1 4.49Å
562H91.6Very high91.2Very high58 Ų5851.2 Ų51.227%0.26926%0.257SS..Hα-helixtrans-59.8-45.4173.4-166.170.6000111.9I558 N559 T560 L564 F565 L566 L601I558-H562 PolarHBondContact O-N 2.96Å; N559-H562 PolarHBondContact O-N 2.98Å; T560-H562 VanDerWaalsContact C-N 3.32Å; T560-H562 PolarHBondContact O-N 3.47Å; H562-L564 PolarHBondContact O-N 2.81Å; H562-F565 PolarHBondContact O-N 3.47Å; H562-L566 WeakPolarHBondContact NE2-CD1 3.3Å; H562-L566 WeakPolarHBondContact O-CG 3.21Å; H562-L566 PolarHBondContact O-N 2.82Å; H562-L601 HydrophobicContact CB-CD2 4.42Å
563R90.1Very high91.2Very high69 Ų6951.1 Ų51.126%0.2625%0.249SC..Hα-helixtrans-63.1-43177.3-165.1-173.1-53.3110.712.7112.4N559 T560 M561 F565 R567N559-R563 WeakPolarHBondContact O-CB 3.45Å; N559-R563 PolarHBondContact O-N 3.22Å; T560-R563 PolarHBondContact O-N 3.23Å; M561-R563 PolarHBondContact O-N 3.29Å; R563-F565 VanDerWaalsContact C-N 3.32Å; R563-R567 WeakPolarHBondContact O-CB 3.35Å; R563-R567 WeakPolarHBondContact O-CG 3.36Å; R563-R567 PolarHBondContact O-N 3.24Å
564L91.1Very high91.3Very high14 Ų1451 Ų517%0.07325%0.248CC..Hα-helixtrans-62.5-41.1177-75.6178.6000111.7T519 L522 A523 T560 M561 H562 N568 R569 V570T519-L564 HydrophobicContact CG2-CD1 3.99Å; T519-L564 HydrophobicContact CG2-CD2 3.96Å; T519-L564 HydrophobicContact CG2-CG 4.21Å; L522-L564 HydrophobicContact CD2-CD1 3.85Å; A523-L564 HydrophobicContact CB-CD2 4.09Å; T560-L564 HydrophobicContact CG2-CD1 4.39Å; T560-L564 WeakPolarHBondContact O-CG 3.5Å; T560-L564 PolarHBondContact O-N 3.18Å; M561-L564 PolarHBondContact O-N 3.42Å; M561-L564 HydrophobicContact SD-CD1 4.39Å; H562-L564 PolarHBondContact O-N 2.81Å; L564-N568 PolarHBondContact O-N 3.01Å; L564-R569 HydrophobicContact CD2-CB 3.8Å; L564-R569 HydrophobicContact CD2-CG 4.37Å; L564-R569 PolarHBondContact O-N 3.32Å; L564-V570 HydrophobicContact CB-CB 4.47Å; L564-V570 HydrophobicContact CB-CG2 3.88Å; L564-V570 HydrophobicContact CD1-CG2 3.91Å; L564-V570 HydrophobicContact CG-CG2 4.35Å
565F91.9Very high91.4Very high13 Ų1348.9 Ų48.96%0.05724%0.236CC..Hα-helixtrans-65.6-51.9177.1179.1-125.3000111.9M561 H562 R563 R567 N568 V572 V575 L601 H604 I607M561-F565 WeakPolarHBondContact O-CB 3.48Å; M561-F565 PolarHBondContact O-N 2.71Å; H562-F565 PolarHBondContact O-N 3.47Å; R563-F565 VanDerWaalsContact C-N 3.32Å; F565-R567 PolarHBondContact O-N 3.46Å; F565-N568 PolarHBondContact O-N 3.07Å; F565-V572 HydrophobicContact CE2-CG2 4.1Å; F565-V575 HydrophobicContact CB-CG2 3.99Å; F565-V575 HydrophobicContact CD2-CG2 3.63Å; F565-V575 HydrophobicContact CE2-CG2 4.42Å; F565-V575 HydrophobicContact CG-CG1 4.46Å; F565-V575 HydrophobicContact CG-CG2 4Å; F565-L601 HydrophobicContact CD1-CD2 4.04Å; F565-H604 HydrophobicContact CE1-CB 4.43Å; F565-H604 AromaticContact CE1-CD2 3.62Å; F565-H604 AromaticContact CE1-CE1 3.73Å; F565-H604 AromaticContact CE1-CG 3.67Å; F565-H604 AromaticContact CE1-ND1 3.74Å; F565-H604 AromaticContact CE1-NE2 3.66Å; F565-H604 AromaticContact CZ-CE1 3.54Å; F565-H604 AromaticContact CZ-ND1 3.58Å; F565-H604 AromaticContact CZ-NE2 3.94Å; F565-I607 HydrophobicContact CD1-CD1 4.42Å; F565-I607 HydrophobicContact CE1-CD1 4.04Å; F565-I607 HydrophobicContact CZ-CD1 4.15Å; F565-I607 HydrophobicContact CZ-CG1 4.45Å
566L89.8Confident91.5Very high109 Ų10950.5 Ų50.557%0.57124%0.239SC*.Hα-helixtrans-61-31.6179.3-70.9-180000113.4H562 N568H562-L566 WeakPolarHBondContact NE2-CD1 3.3Å; H562-L566 WeakPolarHBondContact O-CG 3.21Å; H562-L566 PolarHBondContact O-N 2.82Å; L566-N568 VanDerWaalsContact C-N 3.26Å; L566-N568 PolarHBondContact O-N 3.48Å
567R89.3Confident91.6Very high153 Ų15352.4 Ų52.458%0.57725%0.248SC*.THydrogen-bonded Turntrans-84.77.4176.4-69.2-176.3173-179.7-2113.5R563 F565 R569R563-R567 WeakPolarHBondContact O-CB 3.35Å; R563-R567 WeakPolarHBondContact O-CG 3.36Å; R563-R567 PolarHBondContact O-N 3.24Å; F565-R567 PolarHBondContact O-N 3.46Å; R567-R569 HydrophobicContact CB-CG 3.94Å; R567-R569 PolarHBondContact O-N 3.45Å; R567-R569 VanDerWaalsContact O-N 3.17Å
568N89Confident91.7Very high144 Ų14452.4 Ų52.477%0.7725%0.247SC*.THydrogen-bonded Turntrans51.833.7-175.8-64-42.2000113.4L564 F565 L566L564-N568 PolarHBondContact O-N 3.01Å; F565-N568 PolarHBondContact O-N 3.07Å; L566-N568 VanDerWaalsContact C-N 3.26Å; L566-N568 PolarHBondContact O-N 3.48Å
569R88.2Confident91.7Very high154 Ų15452.4 Ų52.458%0.58125%0.247SC*.  trans-86.7-15.7177.9-65.5-63.1-171.3151.72.6112.6A523 L564 R567A523-R569 HydrophobicContact CB-CB 4.4Å; L564-R569 HydrophobicContact CD2-CB 3.8Å; L564-R569 HydrophobicContact CD2-CG 4.37Å; L564-R569 PolarHBondContact O-N 3.32Å; R567-R569 HydrophobicContact CB-CG 3.94Å; R567-R569 PolarHBondContact O-N 3.45Å; R567-R569 VanDerWaalsContact O-N 3.17Å
570V90.2Very high91.8Very high8 Ų849.3 Ų49.35%0.04823%0.231CC..SBendtrans-137.6139.4-178178.80000109.9L522 M561 L564 I574 V575L522-V570 HydrophobicContact CD2-CG2 3.98Å; L522-V570 HydrophobicContact CG-CG2 3.8Å; M561-V570 HydrophobicContact CE-CG1 4.02Å; L564-V570 HydrophobicContact CB-CB 4.47Å; L564-V570 HydrophobicContact CB-CG2 3.88Å; L564-V570 HydrophobicContact CD1-CG2 3.91Å; L564-V570 HydrophobicContact CG-CG2 4.35Å; V570-I574 HydrophobicContact CG1-CB 3.51Å; V570-I574 HydrophobicContact CG1-CG1 4.35Å; V570-I574 HydrophobicContact CG1-CG2 3.35Å; V570-V575 HydrophobicContact CG1-CG2 4.2Å
571D89.7Confident91.9Very high92 Ų9251.9 Ų51.949%0.49224%0.243SC..  trans-69.5149-179.1-55.5-61.1000112.5K538 S573 I574 V575K538-D571 IonicContact NZ-OD2 3.86Å; D571-S573 PolarHBondContact O-N 3.26Å; D571-S573 VanDerWaalsContact O-N 3.1Å; D571-I574 PolarHBondContact O-N 3.17Å; D571-V575 PolarHBondContact O-N 3.33Å; D571-V575 VanDerWaalsContact O-N 3.16Å
572V91.8Very high92Very high47 Ų4751.8 Ų51.829%0.28524%0.243SC..Hα-helixtrans-51.7-37.4177178.90000112.1F565 I574 V575 R576 D606 I607F565-V572 HydrophobicContact CE2-CG2 4.1Å; V572-I574 VanDerWaalsContact C-N 3.33Å; V572-I574 PolarHBondContact O-N 2.98Å; V572-V575 PolarHBondContact O-N 3.05Å; V572-R576 WeakPolarHBondContact O-CB 3.48Å; V572-R576 PolarHBondContact O-N 3.1Å; V572-D606 HydrophobicContact CG1-CB 3.85Å; V572-D606 WeakPolarHBondContact CG1-O 3.37Å; V572-D606 HydrophobicContact CG2-CB 4.09Å; V572-I607 HydrophobicContact CG1-CG1 4.38Å
573S90.5Very high92.1Very high46 Ų4649.2 Ų49.232%0.32223%0.231SC..Hα-helixtrans-64.5-34.5179.960.60000113.2D571 H577D571-S573 PolarHBondContact O-N 3.26Å; D571-S573 VanDerWaalsContact O-N 3.1Å; S573-H577 PolarHBondContact O-N 3.48Å; S573-H577 VanDerWaalsContact O-N 3.11Å
574I94.3Very high92.2Very high0 Ų049.7 Ų49.70%024%0.235CC..Hα-helixtrans-76.8-40.7177.7-65-60.9000110.3L522 L535 K538 R539 V542 M561 V570 D571 V572 R576 H577 F578L522-I574 HydrophobicContact CD1-CG2 4.14Å; L535-I574 HydrophobicContact CD1-CD1 3.6Å; L535-I574 HydrophobicContact CD1-CG1 4.22Å; K538-I574 HydrophobicContact CB-CD1 3.6Å; K538-I574 HydrophobicContact CB-CG1 4.13Å; K538-I574 HydrophobicContact CD-CD1 4.5Å; K538-I574 HydrophobicContact CD-CG1 4.2Å; R539-I574 HydrophobicContact CG-CD1 4.12Å; V542-I574 HydrophobicContact CG2-CG2 3.62Å; M561-I574 HydrophobicContact CE-CG2 4.12Å; V570-I574 HydrophobicContact CG1-CB 3.51Å; V570-I574 HydrophobicContact CG1-CG1 4.35Å; V570-I574 HydrophobicContact CG1-CG2 3.35Å; D571-I574 PolarHBondContact O-N 3.17Å; V572-I574 VanDerWaalsContact C-N 3.33Å; V572-I574 PolarHBondContact O-N 2.98Å; I574-R576 VanDerWaalsContact C-N 3.31Å; I574-R576 PolarHBondContact O-N 2.99Å; I574-H577 WeakPolarHBondContact O-CB 3.3Å; I574-H577 PolarHBondContact O-N 3.36Å; I574-F578 PolarHBondContact O-N 3.01Å
575V94.4Very high92.3Very high0 Ų052.9 Ų52.90%026%0.255CS..Hα-helixtrans-62.1-42.6174.3-170.30000110.8M561 F565 V570 D571 V572 H577 F578 V579 L601 I607M561-V575 VanDerWaalsContact CE-CA 3.49Å; M561-V575 HydrophobicContact CE-CB 4.04Å; M561-V575 HydrophobicContact CE-CG1 4.28Å; M561-V575 HydrophobicContact CE-CG2 3.8Å; F565-V575 HydrophobicContact CB-CG2 3.99Å; F565-V575 HydrophobicContact CD2-CG2 3.63Å; F565-V575 HydrophobicContact CE2-CG2 4.42Å; F565-V575 HydrophobicContact CG-CG1 4.46Å; F565-V575 HydrophobicContact CG-CG2 4Å; V570-V575 HydrophobicContact CG1-CG2 4.2Å; D571-V575 PolarHBondContact O-N 3.33Å; D571-V575 VanDerWaalsContact O-N 3.16Å; V572-V575 PolarHBondContact O-N 3.05Å; V575-H577 VanDerWaalsContact C-N 3.34Å; V575-H577 PolarHBondContact O-N 2.85Å; V575-F578 WeakPolarHBondContact O-CB 3.41Å; V575-F578 PolarHBondContact O-N 3.17Å; V575-V579 WeakPolarHBondContact O-CG2 3.31Å; V575-V579 PolarHBondContact O-N 3Å; V575-L601 HydrophobicContact CG1-CD2 4.02Å; V575-I607 HydrophobicContact CB-CD1 4.14Å; V575-I607 HydrophobicContact CG1-CD1 3.45Å; V575-I607 VanDerWaalsContact CG1-CD1 3.45Å; V575-I607 HydrophobicContact CG1-CG1 4.36Å
576R92.8Very high92.2Very high71 Ų7153.5 Ų53.527%0.26826%0.262SS..Hα-helixtrans-58.3-46.4173.9-170-178-57.6131.74.2111.8V572 I574 F578 V579 T580 D606 I607 L611V572-R576 WeakPolarHBondContact O-CB 3.48Å; V572-R576 PolarHBondContact O-N 3.1Å; I574-R576 VanDerWaalsContact C-N 3.31Å; I574-R576 PolarHBondContact O-N 2.99Å; R576-F578 VanDerWaalsContact C-N 3.35Å; R576-F578 PolarHBondContact O-N 2.93Å; R576-V579 PolarHBondContact O-N 3.04Å; R576-T580 PolarHBondContact O-N 3.24Å; R576-T580 PolarHBondContact O-OG1 3.47Å; R576-T580 VanDerWaalsContact O-OG1 3.1Å; R576-D606 PolarHBondContact NH2-O 3.09Å; R576-I607 HydrophobicContact CB-CG2 4.48Å; R576-I607 PolarHBondContact NE-O 3.42Å; R576-L611 HydrophobicContact CG-CD2 3.5Å; R576-L611 VanDerWaalsContact CG-CD2 3.5Å; R576-L611 HydrophobicContact CG-CG 3.84Å
577H93.6Very high92.1Very high45 Ų4550.7 Ų50.721%0.20826%0.26CS..Hα-helixtrans-60.3-44.3176.8-17854.5000112S573 I574 V575 T580 E581S573-H577 PolarHBondContact O-N 3.48Å; S573-H577 VanDerWaalsContact O-N 3.11Å; I574-H577 WeakPolarHBondContact O-CB 3.3Å; I574-H577 PolarHBondContact O-N 3.36Å; V575-H577 VanDerWaalsContact C-N 3.34Å; V575-H577 PolarHBondContact O-N 2.85Å; H577-T580 PolarHBondContact O-N 3.23Å; H577-E581 IonicContact CE1-OE1 3.22Å; H577-E581 WeakPolarHBondContact O-CG 3.39Å; H577-E581 PolarHBondContact O-N 3.48Å
578F96.5Very high92Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-57.5-50.2174.8169.7-97000112.1V542 L545 V546 V557 I558 M561 I574 V575 R576 T580 E581 V582 L601V542-F578 HydrophobicContact CG1-CB 3.79Å; V542-F578 HydrophobicContact CG1-CD2 4.17Å; V542-F578 HydrophobicContact CG2-CB 4.46Å; L545-F578 HydrophobicContact CB-CE2 4.44Å; V546-F578 HydrophobicContact CG2-CD2 4.23Å; V557-F578 HydrophobicContact CG1-CE2 3.74Å; V557-F578 HydrophobicContact CG1-CZ 3.92Å; I558-F578 HydrophobicContact CG1-CZ 4.4Å; M561-F578 HydrophobicContact CB-CD1 4.19Å; M561-F578 HydrophobicContact CB-CE1 3.87Å; M561-F578 HydrophobicContact CB-CZ 4.13Å; M561-F578 HydrophobicContact CE-CB 3.85Å; M561-F578 HydrophobicContact CE-CG 4.23Å; M561-F578 HydrophobicContact CG-CD1 3.61Å; M561-F578 HydrophobicContact CG-CE1 3.82Å; M561-F578 HydrophobicContact CG-CG 3.97Å; M561-F578 HydrophobicContact CG-CZ 4.37Å; M561-F578 HydrophobicContact SD-CG 4.49Å; I574-F578 PolarHBondContact O-N 3.01Å; V575-F578 WeakPolarHBondContact O-CB 3.41Å; V575-F578 PolarHBondContact O-N 3.17Å; R576-F578 VanDerWaalsContact C-N 3.35Å; R576-F578 PolarHBondContact O-N 2.93Å; F578-T580 VanDerWaalsContact C-N 3.32Å; F578-T580 PolarHBondContact O-N 2.9Å; F578-E581 PolarHBondContact O-N 3.32Å; F578-V582 HydrophobicContact CD1-CG2 4.34Å; F578-V582 HydrophobicContact CD2-CG2 4.06Å; F578-V582 HydrophobicContact CE1-CG2 3.97Å; F578-V582 HydrophobicContact CE2-CG2 3.66Å; F578-V582 HydrophobicContact CG-CG2 4.4Å; F578-V582 HydrophobicContact CZ-CG2 3.62Å; F578-V582 WeakPolarHBondContact O-CG2 3.39Å; F578-V582 PolarHBondContact O-N 3.16Å; F578-L601 HydrophobicContact CE1-CD1 4.33Å
579V95.1Very high92Very high0 Ų046.1 Ų46.10%025%0.25CC..Hα-helixtrans-58.1-46.3179.1170.80000111V575 R576 E581 V582 L583 L601 V602 I607 L611V575-V579 WeakPolarHBondContact O-CG2 3.31Å; V575-V579 PolarHBondContact O-N 3Å; R576-V579 PolarHBondContact O-N 3.04Å; V579-E581 PolarHBondContact O-N 3.1Å; V579-V582 PolarHBondContact O-N 3.01Å; V579-L583 HydrophobicContact CG1-CD1 3.97Å; V579-L583 HydrophobicContact CG1-CG 4.45Å; V579-L583 WeakPolarHBondContact O-CG 3.42Å; V579-L583 PolarHBondContact O-N 3.45Å; V579-L601 HydrophobicContact CG2-CB 3.98Å; V579-V602 HydrophobicContact CG1-CG2 3.82Å; V579-I607 HydrophobicContact CG2-CG2 4.47Å; V579-L611 HydrophobicContact CG1-CD1 4.04Å
580T92.7Very high92.1Very high11 Ų1139.9 Ų39.97%0.06723%0.226CC..Hα-helixtrans-58.9-47.1177.5-63.20000112.2R576 H577 F578 L583 K584 L611 D616R576-T580 PolarHBondContact O-N 3.24Å; R576-T580 PolarHBondContact O-OG1 3.47Å; R576-T580 VanDerWaalsContact O-OG1 3.1Å; H577-T580 PolarHBondContact O-N 3.23Å; F578-T580 VanDerWaalsContact C-N 3.32Å; F578-T580 PolarHBondContact O-N 2.9Å; T580-L583 PolarHBondContact O-N 3.01Å; T580-K584 HydrophobicContact CG2-CD 4.32Å; T580-K584 WeakPolarHBondContact O-CG 3.47Å; T580-K584 PolarHBondContact O-N 3.4Å; T580-K584 VanDerWaalsContact O-N 3.1Å; T580-L611 VanDerWaalsContact OG1-CD2 3.3Å; T580-L611 WeakPolarHBondContact OG1-CD2 3.39Å; T580-D616 HydrophobicContact CG2-CB 3.71Å; T580-D616 VanDerWaalsContact CG2-CG 3.5Å; T580-D616 WeakPolarHBondContact CG2-OD2 3.39Å
581E94.6Very high92.1Very high54 Ų5442.6 Ų42.625%0.25225%0.245SC..Hα-helixtrans-70.4-34.7-178.7-66-54.5124.100112.5V546 H577 F578 V579 K584 V585V546-E581 HydrophobicContact CG1-CB 4.42Å; V546-E581 HydrophobicContact CG2-CB 3.79Å; H577-E581 IonicContact CE1-OE1 3.22Å; H577-E581 WeakPolarHBondContact O-CG 3.39Å; H577-E581 PolarHBondContact O-N 3.48Å; F578-E581 PolarHBondContact O-N 3.32Å; V579-E581 PolarHBondContact O-N 3.1Å; E581-K584 PolarHBondContact O-N 3.35Å; E581-K584 IonicContact OE1-NZ 3.41Å; E581-K584 PolarHBondContact OE1-NZ 3.41Å; E581-V585 WeakPolarHBondContact O-CG2 3.34Å; E581-V585 PolarHBondContact O-N 3.25Å
582V95.6Very high92.1Very high0 Ų041.9 Ų41.90%025%0.245CC..Hα-helixtrans-62.5-45.7172.8171.20000111V546 L549 F578 V579 K584 V585 A586 F594 L598V546-V582 HydrophobicContact CG2-CG2 4.18Å; L549-V582 HydrophobicContact CD1-CG1 4.24Å; L549-V582 HydrophobicContact CD1-CG2 4.05Å; F578-V582 HydrophobicContact CD1-CG2 4.34Å; F578-V582 HydrophobicContact CD2-CG2 4.06Å; F578-V582 HydrophobicContact CE1-CG2 3.97Å; F578-V582 HydrophobicContact CE2-CG2 3.66Å; F578-V582 HydrophobicContact CG-CG2 4.4Å; F578-V582 HydrophobicContact CZ-CG2 3.62Å; F578-V582 WeakPolarHBondContact O-CG2 3.39Å; F578-V582 PolarHBondContact O-N 3.16Å; V579-V582 PolarHBondContact O-N 3.01Å; V582-K584 VanDerWaalsContact C-N 3.27Å; V582-K584 PolarHBondContact O-N 3.41Å; V582-V585 PolarHBondContact O-N 3.36Å; V582-A586 VanDerWaalsContact O-CB 3.27Å; V582-A586 WeakPolarHBondContact O-CB 3.45Å; V582-A586 PolarHBondContact O-N 3.01Å; V582-F594 HydrophobicContact CG1-CE2 4.1Å; V582-F594 HydrophobicContact CG1-CZ 4.02Å; V582-L598 HydrophobicContact CG1-CD1 4.43Å; V582-L598 HydrophobicContact CG1-CD2 3.92Å
583L93.1Very high92Very high3 Ų345.8 Ų45.82%0.01626%0.258CS..Hα-helixtrans-68.7-23.6179.7-68.2176.8000113.5V579 T580 L598 V620 F623V579-L583 HydrophobicContact CG1-CD1 3.97Å; V579-L583 HydrophobicContact CG1-CG 4.45Å; V579-L583 WeakPolarHBondContact O-CG 3.42Å; V579-L583 PolarHBondContact O-N 3.45Å; T580-L583 PolarHBondContact O-N 3.01Å; L583-L598 HydrophobicContact CD2-CD2 3.85Å; L583-V620 HydrophobicContact CD1-CB 4.43Å; L583-V620 HydrophobicContact CD1-CG2 3.76Å; L583-F623 HydrophobicContact CD2-CB 3.75Å; L583-F623 HydrophobicContact CD2-CD2 3.76Å; L583-F623 HydrophobicContact CD2-CG 3.75Å
584K92Very high92.2Very high80 Ų8044.3 Ų44.335%0.34825%0.246SC..Hα-helixtrans-73.4-28.2172.6-75.6172.3-174.4168.60113.3T580 E581 V582 D616 Y619T580-K584 HydrophobicContact CG2-CD 4.32Å; T580-K584 WeakPolarHBondContact O-CG 3.47Å; T580-K584 PolarHBondContact O-N 3.4Å; T580-K584 VanDerWaalsContact O-N 3.1Å; E581-K584 PolarHBondContact O-N 3.35Å; E581-K584 IonicContact OE1-NZ 3.41Å; E581-K584 PolarHBondContact OE1-NZ 3.41Å; V582-K584 VanDerWaalsContact C-N 3.27Å; V582-K584 PolarHBondContact O-N 3.41Å; K584-D616 WeakPolarHBondContact CE-OD1 3.27Å; K584-D616 IonicContact NZ-OD1 3.65Å; K584-D616 PolarHBondContact NZ-OD1 3.04Å; K584-D616 IonicContact NZ-OD2 2.81Å; K584-Y619 HydrophobicContact CG-CD2 4.22Å; K584-Y619 HydrophobicContact CG-CE2 3.96Å
585V92.5Very high92.1Very high80 Ų8044.5 Ų44.549%0.48525%0.247SC..Hα-helixtrans-98.5-30.6-176179.80000111.8V546 S550 E581 V582V546-V585 HydrophobicContact CG1-CG2 3.98Å; S550-V585 WeakPolarHBondContact OG-CG1 3.45Å; E581-V585 WeakPolarHBondContact O-CG2 3.34Å; E581-V585 PolarHBondContact O-N 3.25Å; V582-V585 PolarHBondContact O-N 3.36Å
586A91.4Very high92Very high26 Ų2648.4 Ų48.422%0.21527%0.268CS..  trans-77.8147.2175.400000111.5V582 Y590 F594V582-A586 VanDerWaalsContact O-CB 3.27Å; V582-A586 WeakPolarHBondContact O-CB 3.45Å; V582-A586 PolarHBondContact O-N 3.01Å; A586-Y590 HydrophobicContact CB-CE1 3.96Å; A586-F594 HydrophobicContact CB-CE1 4.25Å; A586-F594 HydrophobicContact CB-CZ 3.73Å
587G87.2Confident92Very high50 Ų5045.7 Ų45.752%0.51526%0.261SS..  trans-144.5161.5175.800000112Y590G587-Y590 VanDerWaalsContact C-CE1 3.47Å; G587-Y590 WeakPolarHBondContact O-CE1 3.33Å
588Q87Confident92Very high92 Ų9243.6 Ų43.643%0.4325%0.251SS..SBendtrans-71.1153.4-178.6-60.2179.631.600112.6Y590 E622 Y626Q588-Y590 HydrophobicContact CG-CD2 4.09Å; Q588-Y590 HydrophobicContact CG-CE2 3.6Å; Q588-E622 PolarHBondContact NE2-OE1 3.43Å; Q588-Y626 HydrophobicContact CB-CE2 4.41Å; Q588-Y626 VanDerWaalsContact CD-CD2 3.44Å; Q588-Y626 HydrophobicContact CG-CD2 3.99Å; Q588-Y626 HydrophobicContact CG-CE2 4.19Å; Q588-Y626 HydrophobicContact CG-CG 4.41Å; Q588-Y626 VanDerWaalsContact OE1-CE2 3.31Å
589P88.8Confident91.8Very high110 Ų11045.6 Ų45.671%0.71426%0.26SS*.SBendcis-76.7135.9-3.331.1-33.8000112.2Y626P589-Y626 WeakPolarHBondContact CB-OH 3.28Å
590Y90.6Very high91.7Very high23 Ų2348 Ų489%0.0928%0.276CS..PPolyproline II helixtrans-82139177.3-59.1-59.2000110.8A586 G587 Q588 F594 M595 F623 Y626A586-Y590 HydrophobicContact CB-CE1 3.96Å; G587-Y590 VanDerWaalsContact C-CE1 3.47Å; G587-Y590 WeakPolarHBondContact O-CE1 3.33Å; Q588-Y590 HydrophobicContact CG-CD2 4.09Å; Q588-Y590 HydrophobicContact CG-CE2 3.6Å; Y590-F594 AromaticContact CD1-CD1 3.81Å; Y590-F594 HydrophobicContact CD1-CD1 3.81Å; Y590-F594 AromaticContact CD1-CE1 3.54Å; Y590-F594 HydrophobicContact CD1-CE1 3.54Å; Y590-F594 AromaticContact CE1-CE1 3.99Å; Y590-F594 HydrophobicContact CE1-CE1 3.99Å; Y590-F594 HydrophobicContact CG-CD1 4.15Å; Y590-F594 HydrophobicContact CG-CE1 4.17Å; Y590-M595 HydrophobicContact CG-CG 4.3Å; Y590-F623 HydrophobicContact CD2-CD2 4.16Å; Y590-F623 AromaticContact CE2-CD2 3.92Å; Y590-F623 HydrophobicContact CE2-CD2 3.92Å; Y590-Y626 AromaticContact CD2-CD1 3.54Å; Y590-Y626 HydrophobicContact CD2-CD1 3.54Å; Y590-Y626 AromaticContact CD2-CE1 3.95Å; Y590-Y626 HydrophobicContact CD2-CE1 3.95Å; Y590-Y626 HydrophobicContact CD2-CG 4.02Å; Y590-Y626 HydrophobicContact CE2-CD1 4.33Å; Y590-Y626 HydrophobicContact CE2-CG 4.38Å; Y590-Y626 HydrophobicContact CG-CD1 4.43Å; Y590-Y626 HydrophobicContact CG-CE1 4.47Å
591S90.6Very high91.7Very high64 Ų6447.4 Ų47.445%0.44827%0.272SS..PPolyproline II helixtrans-69.2148.1170.371.80000110.7F593 F594 M595S591-F593 PolarHBondContact O-N 3.11Å; S591-F594 PolarHBondContact O-N 2.73Å; S591-F594 VanDerWaalsContact OG-CB 3.25Å; S591-F594 WeakPolarHBondContact OG-CB 3.43Å; S591-F594 PolarHBondContact OG-N 2.9Å; S591-M595 WeakPolarHBondContact O-CG 3.38Å; S591-M595 PolarHBondContact O-N 3.48Å
592T89.5Confident91.5Very high78 Ų7844.9 Ų44.948%0.47926%0.261SS..Hα-helixtrans-58.5-38.3177.151.20000111.9M595 N596T592-M595 HydrophobicContact CG2-CE 4.21Å; T592-M595 PolarHBondContact O-N 3.18Å; T592-N596 VanDerWaalsContact O-CB 3.3Å; T592-N596 WeakPolarHBondContact O-CB 3.37Å; T592-N596 PolarHBondContact O-N 3.31Å; T592-N596 PolarHBondContact O-ND2 3.35Å
593F89.6Confident91.3Very high128 Ų12847.9 Ų47.956%0.56128%0.279SS*.Hα-helixtrans-62.7-46.5175.4-62.8-74.3000112.5L555 S591 A597L555-F593 HydrophobicContact CD1-CB 4.19Å; L555-F593 HydrophobicContact CD2-CB 4.22Å; S591-F593 PolarHBondContact O-N 3.11Å; F593-A597 VanDerWaalsContact O-CB 3.3Å; F593-A597 WeakPolarHBondContact O-CB 3.43Å; F593-A597 PolarHBondContact O-N 2.84Å
594F93.7Very high91.1Very high16 Ų1650.4 Ų50.47%0.0729%0.29CS..Hα-helixtrans-61.7-47.7176.8170.7-99.4000111.3V554 I558 V582 A586 Y590 S591 N596 A597 L598 F623V554-F594 HydrophobicContact CG1-CD2 3.58Å; V554-F594 HydrophobicContact CG1-CE2 4.1Å; I558-F594 HydrophobicContact CD1-CD2 3.66Å; I558-F594 HydrophobicContact CD1-CE2 3.75Å; V582-F594 HydrophobicContact CG1-CE2 4.1Å; V582-F594 HydrophobicContact CG1-CZ 4.02Å; A586-F594 HydrophobicContact CB-CE1 4.25Å; A586-F594 HydrophobicContact CB-CZ 3.73Å; Y590-F594 AromaticContact CD1-CD1 3.81Å; Y590-F594 HydrophobicContact CD1-CD1 3.81Å; Y590-F594 AromaticContact CD1-CE1 3.54Å; Y590-F594 HydrophobicContact CD1-CE1 3.54Å; Y590-F594 AromaticContact CE1-CE1 3.99Å; Y590-F594 HydrophobicContact CE1-CE1 3.99Å; Y590-F594 HydrophobicContact CG-CD1 4.15Å; Y590-F594 HydrophobicContact CG-CE1 4.17Å; S591-F594 PolarHBondContact O-N 2.73Å; S591-F594 VanDerWaalsContact OG-CB 3.25Å; S591-F594 WeakPolarHBondContact OG-CB 3.43Å; S591-F594 PolarHBondContact OG-N 2.9Å; F594-N596 PolarHBondContact O-N 3.37Å; F594-A597 PolarHBondContact O-N 3.15Å; F594-L598 HydrophobicContact CE1-CD2 3.96Å; F594-L598 HydrophobicContact CE2-CD2 4.15Å; F594-L598 HydrophobicContact CZ-CD2 3.53Å; F594-L598 WeakPolarHBondContact O-CB 3.42Å; F594-L598 PolarHBondContact O-N 2.93Å; F594-F623 HydrophobicContact CD1-CE2 4.4Å; F594-F623 AromaticContact CE1-CE2 3.94Å; F594-F623 HydrophobicContact CE1-CE2 3.94Å
595M93.1Very high90.9Very high3 Ų350.3 Ų50.32%0.01530%0.298CS..Hα-helixtrans-57.2-51.5178.2-78.7-166-62.900111.9Y590 S591 T592 A597 L598 H599 F623 Y626 Y627 E630Y590-M595 HydrophobicContact CG-CG 4.3Å; S591-M595 WeakPolarHBondContact O-CG 3.38Å; S591-M595 PolarHBondContact O-N 3.48Å; T592-M595 HydrophobicContact CG2-CE 4.21Å; T592-M595 PolarHBondContact O-N 3.18Å; M595-A597 VanDerWaalsContact C-N 3.28Å; M595-A597 PolarHBondContact O-N 3.38Å; M595-L598 PolarHBondContact O-N 3.1Å; M595-H599 WeakPolarHBondContact O-CB 3.42Å; M595-H599 PolarHBondContact O-N 3.28Å; M595-F623 HydrophobicContact CG-CE2 4.22Å; M595-Y626 HydrophobicContact CE-CE1 4.31Å; M595-Y626 HydrophobicContact SD-CD1 3.63Å; M595-Y626 HydrophobicContact SD-CE1 3.83Å; M595-Y627 HydrophobicContact CB-CD2 3.85Å; M595-Y627 HydrophobicContact CB-CE2 4.12Å; M595-Y627 HydrophobicContact CG-CD2 4.37Å; M595-Y627 HydrophobicContact SD-CD2 4.26Å; M595-E630 HydrophobicContact CE-CB 4.1Å; M595-E630 HydrophobicContact CE-CG 4.2Å
596N92.5Very high90.5Very high82 Ų8250.6 Ų50.644%0.43930%0.297SS..Hα-helixtrans-66.2-30.5-178.5-70.3-17.4000112.7T592 F594 P600T592-N596 VanDerWaalsContact O-CB 3.3Å; T592-N596 WeakPolarHBondContact O-CB 3.37Å; T592-N596 PolarHBondContact O-N 3.31Å; T592-N596 PolarHBondContact O-ND2 3.35Å; F594-N596 PolarHBondContact O-N 3.37Å; N596-P600 WeakPolarHBondContact O-CD 3.28Å
597A91.6Very high90.2Very high15 Ų1549.3 Ų49.312%0.12429%0.286CS..Hα-helixtrans-75.5-4117600000112.5L555 I558 F593 F594 M595L555-A597 HydrophobicContact CD2-CB 3.85Å; I558-A597 HydrophobicContact CB-CB 4.46Å; I558-A597 HydrophobicContact CG2-CB 3.88Å; I558-A597 WeakPolarHBondContact CG2-O 3.34Å; F593-A597 VanDerWaalsContact O-CB 3.3Å; F593-A597 WeakPolarHBondContact O-CB 3.43Å; F593-A597 PolarHBondContact O-N 2.84Å; F594-A597 PolarHBondContact O-N 3.15Å; M595-A597 VanDerWaalsContact C-N 3.28Å; M595-A597 PolarHBondContact O-N 3.38Å
598L94.3Very high90.1Very high0 Ų047.6 Ų47.60%027%0.266CS..Hα-helixtrans-82.8-35.6-175.8-173.560.9000112.9I558 V582 L583 F594 M595 P600 L601 V602 F623I558-L598 HydrophobicContact CD1-CB 4.4Å; V582-L598 HydrophobicContact CG1-CD1 4.43Å; V582-L598 HydrophobicContact CG1-CD2 3.92Å; L583-L598 HydrophobicContact CD2-CD2 3.85Å; F594-L598 HydrophobicContact CE1-CD2 3.96Å; F594-L598 HydrophobicContact CE2-CD2 4.15Å; F594-L598 HydrophobicContact CZ-CD2 3.53Å; F594-L598 WeakPolarHBondContact O-CB 3.42Å; F594-L598 PolarHBondContact O-N 2.93Å; M595-L598 PolarHBondContact O-N 3.1Å; L598-P600 VanDerWaalsContact C-CD 3.49Å; L598-L601 WeakPolarHBondContact O-CB 3.32Å; L598-L601 PolarHBondContact O-N 3.06Å; L598-V602 HydrophobicContact CD1-CG2 4.47Å; L598-V602 HydrophobicContact CG-CG2 3.93Å; L598-V602 PolarHBondContact O-N 3.5Å; L598-F623 HydrophobicContact CB-CZ 4.11Å; L598-F623 HydrophobicContact CD2-CE2 4.02Å; L598-F623 HydrophobicContact CD2-CZ 4.16Å; L598-F623 HydrophobicContact CG-CZ 4.27Å
599H93.4Very high89.8Confident42 Ų4249.1 Ų49.119%0.19428%0.277CS..Hα-helixtrans-50.9-46.2-175174.6-88.2000114.1M595 L601 V602 V603 F623 Y627M595-H599 WeakPolarHBondContact O-CB 3.42Å; M595-H599 PolarHBondContact O-N 3.28Å; H599-L601 PolarHBondContact O-N 3.22Å; H599-L601 VanDerWaalsContact O-N 3.14Å; H599-V602 PolarHBondContact O-N 3.33Å; H599-V603 VanDerWaalsContact NE2-CG1 3.35Å; H599-V603 WeakPolarHBondContact NE2-CG1 3.4Å; H599-V603 WeakPolarHBondContact O-CG2 3.37Å; H599-V603 PolarHBondContact O-N 3.2Å; H599-F623 HydrophobicContact CB-CE1 4.29Å; H599-F623 HydrophobicContact CB-CZ 4.46Å; H599-Y627 HydrophobicContact CB-CD2 4.05Å; H599-Y627 HydrophobicContact CB-CE2 3.65Å; H599-Y627 AromaticContact CD2-CD1 3.45Å; H599-Y627 VanDerWaalsContact CD2-CD1 3.45Å; H599-Y627 WeakPolarHBondContact CD2-CD1 3.27Å; H599-Y627 AromaticContact CD2-CD2 3.82Å; H599-Y627 AromaticContact CD2-CE1 3.39Å; H599-Y627 WeakPolarHBondContact CD2-CE1 3.42Å; H599-Y627 AromaticContact CD2-CE2 3.78Å; H599-Y627 AromaticContact CD2-CG 3.67Å; H599-Y627 AromaticContact CD2-CZ 3.56Å; H599-Y627 AromaticContact CE1-CE1 3.88Å; H599-Y627 AromaticContact CG-CE1 3.9Å; H599-Y627 AromaticContact CG-CE2 3.71Å; H599-Y627 AromaticContact CG-CZ 3.58Å; H599-Y627 AromaticContact ND1-CZ 3.91Å; H599-Y627 AromaticContact NE2-CD1 3.65Å; H599-Y627 AromaticContact NE2-CE1 3.39Å; H599-Y627 WeakPolarHBondContact NE2-CE1 3.41Å; H599-Y627 AromaticContact NE2-CZ 3.89Å
600P92.1Very high89.4Confident50 Ų5045.6 Ų45.633%0.32526%0.261SS..Hα-helixtrans-56.8-30.1178.2-26.335.3000114.7N596 L598N596-P600 WeakPolarHBondContact O-CD 3.28Å; L598-P600 VanDerWaalsContact C-CD 3.49Å
601L92.2Very high88.8Confident0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-77.9-39.7175.3-68.6174.8000111.6I558 M561 H562 F565 V575 F578 V579 L598 H599 I607I558-L601 HydrophobicContact CG2-CD1 4.42Å; M561-L601 HydrophobicContact CB-CD1 4.49Å; H562-L601 HydrophobicContact CB-CD2 4.42Å; F565-L601 HydrophobicContact CD1-CD2 4.04Å; V575-L601 HydrophobicContact CG1-CD2 4.02Å; F578-L601 HydrophobicContact CE1-CD1 4.33Å; V579-L601 HydrophobicContact CG2-CB 3.98Å; L598-L601 WeakPolarHBondContact O-CB 3.32Å; L598-L601 PolarHBondContact O-N 3.06Å; H599-L601 PolarHBondContact O-N 3.22Å; H599-L601 VanDerWaalsContact O-N 3.14Å; L601-I607 HydrophobicContact CB-CD1 4.48Å; L601-I607 HydrophobicContact CD2-CD1 4.26Å; L601-I607 WeakPolarHBondContact O-CB 3.28Å; L601-I607 WeakPolarHBondContact O-CD1 3.12Å; L601-I607 WeakPolarHBondContact O-CG2 3.22Å
602V91.6Very high88Confident1 Ų147.7 Ų47.71%0.00626%0.263CS..Hα-helixtrans-66.7-41.4-178.2-179.50000111.5V579 L598 H599 S608 V620 F623 L624V579-V602 HydrophobicContact CG1-CG2 3.82Å; L598-V602 HydrophobicContact CD1-CG2 4.47Å; L598-V602 HydrophobicContact CG-CG2 3.93Å; L598-V602 PolarHBondContact O-N 3.5Å; H599-V602 PolarHBondContact O-N 3.33Å; V602-S608 WeakPolarHBondContact O-CB 3.42Å; V602-V620 HydrophobicContact CG1-CG1 3.84Å; V602-F623 HydrophobicContact CB-CE1 4.38Å; V602-F623 HydrophobicContact CG1-CD1 4.26Å; V602-F623 HydrophobicContact CG2-CD1 4.13Å; V602-F623 HydrophobicContact CG2-CE1 3.96Å; V602-L624 HydrophobicContact CG1-CD1 4.44Å; V602-L624 HydrophobicContact CG1-CD2 3.95Å; V602-L624 HydrophobicContact CG1-CG 4.19Å
603V90.6Very high87.1Confident63 Ų6347.6 Ų47.638%0.38228%0.278SS..SBendtrans-87.1-5.6-177.2-56.90000114.3H599 L624H599-V603 VanDerWaalsContact NE2-CG1 3.35Å; H599-V603 WeakPolarHBondContact NE2-CG1 3.4Å; H599-V603 WeakPolarHBondContact O-CG2 3.37Å; H599-V603 PolarHBondContact O-N 3.2Å; V603-L624 HydrophobicContact CG1-CD2 3.79Å
604H89.9Confident86.2Confident56 Ų5643.4 Ų43.426%0.25927%0.271SS..  trans-59.6131.3-179.6-164.8-85.5000110.2F565 D606 I607 S608F565-H604 HydrophobicContact CE1-CB 4.43Å; F565-H604 AromaticContact CE1-CD2 3.62Å; F565-H604 AromaticContact CE1-CE1 3.73Å; F565-H604 AromaticContact CE1-CG 3.67Å; F565-H604 AromaticContact CE1-ND1 3.74Å; F565-H604 AromaticContact CE1-NE2 3.66Å; F565-H604 AromaticContact CZ-CE1 3.54Å; F565-H604 AromaticContact CZ-ND1 3.58Å; F565-H604 AromaticContact CZ-NE2 3.94Å; H604-D606 IonicContact CE1-OD2 3.91Å; H604-D606 PolarHBondContact CE1-OD2 2.79Å; H604-D606 PolarHBondContact ND1-N 3.36Å; H604-D606 IonicContact ND1-OD2 3.67Å; H604-D606 PolarHBondContact O-N 2.96Å; H604-I607 HydrophobicContact CB-CB 4.26Å; H604-I607 HydrophobicContact CB-CD1 3.93Å; H604-I607 HydrophobicContact CB-CG1 4.19Å; H604-I607 PolarHBondContact O-N 3.44Å; H604-S608 WeakPolarHBondContact O-CB 3.48Å; H604-S608 PolarHBondContact O-N 3.12Å; H604-S608 PolarHBondContact O-OG 3.26Å
605P86.6Confident85.3Confident78 Ų7852.2 Ų52.251%0.50631%0.309SS..Hα-helixtrans-49.7-51.7-175.3-29.935.2000113.2I607 S608 D609P605-I607 PolarHBondContact O-N 3.07Å; P605-I607 VanDerWaalsContact O-N 3.14Å; P605-S608 PolarHBondContact O-N 2.99Å; P605-S608 PolarHBondContact O-OG 2.63Å; P605-D609 PolarHBondContact O-N 2.93Å; P605-D609 VanDerWaalsContact O-N 3.13Å
606D85.3Confident84.6Confident85 Ų8554.5 Ų54.546%0.45532%0.321SS..Hα-helixtrans-62.1-25.8-178.5-56.9-31.8000114.5V572 R576 H604V572-D606 HydrophobicContact CG1-CB 3.85Å; V572-D606 WeakPolarHBondContact CG1-O 3.37Å; V572-D606 HydrophobicContact CG2-CB 4.09Å; R576-D606 PolarHBondContact NH2-O 3.09Å; H604-D606 IonicContact CE1-OD2 3.91Å; H604-D606 PolarHBondContact CE1-OD2 2.79Å; H604-D606 PolarHBondContact ND1-N 3.36Å; H604-D606 IonicContact ND1-OD2 3.67Å; H604-D606 PolarHBondContact O-N 2.96Å
607I84.9Confident84.2Confident0 Ų051.6 Ų51.60%031%0.306CS..Hα-helixtrans-89.4-52.5-179.3-61.9171.8000109.2F565 V572 V575 R576 V579 L601 H604 P605 D609 G610 L611F565-I607 HydrophobicContact CD1-CD1 4.42Å; F565-I607 HydrophobicContact CE1-CD1 4.04Å; F565-I607 HydrophobicContact CZ-CD1 4.15Å; F565-I607 HydrophobicContact CZ-CG1 4.45Å; V572-I607 HydrophobicContact CG1-CG1 4.38Å; V575-I607 HydrophobicContact CB-CD1 4.14Å; V575-I607 HydrophobicContact CG1-CD1 3.45Å; V575-I607 VanDerWaalsContact CG1-CD1 3.45Å; V575-I607 HydrophobicContact CG1-CG1 4.36Å; R576-I607 HydrophobicContact CB-CG2 4.48Å; R576-I607 PolarHBondContact NE-O 3.42Å; V579-I607 HydrophobicContact CG2-CG2 4.47Å; L601-I607 HydrophobicContact CB-CD1 4.48Å; L601-I607 HydrophobicContact CD2-CD1 4.26Å; L601-I607 WeakPolarHBondContact O-CB 3.28Å; L601-I607 WeakPolarHBondContact O-CD1 3.12Å; L601-I607 WeakPolarHBondContact O-CG2 3.22Å; H604-I607 HydrophobicContact CB-CB 4.26Å; H604-I607 HydrophobicContact CB-CD1 3.93Å; H604-I607 HydrophobicContact CB-CG1 4.19Å; H604-I607 PolarHBondContact O-N 3.44Å; P605-I607 PolarHBondContact O-N 3.07Å; P605-I607 VanDerWaalsContact O-N 3.14Å; I607-D609 PolarHBondContact O-N 3.01Å; I607-G610 PolarHBondContact O-N 3.12Å; I607-L611 HydrophobicContact CG2-CD1 3.7Å; I607-L611 HydrophobicContact CG2-CG 4.32Å; I607-L611 WeakPolarHBondContact O-CG 3.49Å; I607-L611 PolarHBondContact O-N 3.03Å
608S83.7Confident83.9Confident13 Ų1356.6 Ų56.69%0.09133%0.331CS..Hα-helixtrans-61.2-39.3-174.171.50000113.5V602 H604 P605 G610 L611 K612V602-S608 WeakPolarHBondContact O-CB 3.42Å; H604-S608 WeakPolarHBondContact O-CB 3.48Å; H604-S608 PolarHBondContact O-N 3.12Å; H604-S608 PolarHBondContact O-OG 3.26Å; P605-S608 PolarHBondContact O-N 2.99Å; P605-S608 PolarHBondContact O-OG 2.63Å; S608-G610 VanDerWaalsContact C-N 3.26Å; S608-G610 PolarHBondContact O-N 3.12Å; S608-L611 PolarHBondContact O-N 3.31Å; S608-K612 WeakPolarHBondContact O-CG 3.34Å; S608-K612 PolarHBondContact O-N 2.96Å
609D82Confident83.5Confident124 Ų12461.4 Ų61.466%0.66335%0.35SS*.Hα-helixtrans-61.7-36.5179.3-75.3-13.6000112P605 I607P605-D609 PolarHBondContact O-N 2.93Å; P605-D609 VanDerWaalsContact O-N 3.13Å; I607-D609 PolarHBondContact O-N 3.01Å
610G79.1Confident83.2Confident36 Ų3659.5 Ų59.537%0.37134%0.341SS..Hα-helixtrans-82.9-13.6176.700000114.4I607 S608I607-G610 PolarHBondContact O-N 3.12Å; S608-G610 VanDerWaalsContact C-N 3.26Å; S608-G610 PolarHBondContact O-N 3.12Å
611L79.4Confident83Confident6 Ų660.1 Ų60.13%0.03134%0.342CS..Hα-helixtrans-86.4-40176.3-72.7174.2000112.1R576 V579 T580 I607 S608 G613 G614 T617 V620R576-L611 HydrophobicContact CG-CD2 3.5Å; R576-L611 VanDerWaalsContact CG-CD2 3.5Å; R576-L611 HydrophobicContact CG-CG 3.84Å; V579-L611 HydrophobicContact CG1-CD1 4.04Å; T580-L611 VanDerWaalsContact OG1-CD2 3.3Å; T580-L611 WeakPolarHBondContact OG1-CD2 3.39Å; I607-L611 HydrophobicContact CG2-CD1 3.7Å; I607-L611 HydrophobicContact CG2-CG 4.32Å; I607-L611 WeakPolarHBondContact O-CG 3.49Å; I607-L611 PolarHBondContact O-N 3.03Å; S608-L611 PolarHBondContact O-N 3.31Å; L611-G613 PolarHBondContact O-N 3.11Å; L611-G614 PolarHBondContact O-N 3.41Å; L611-T617 PolarHBondContact O-OG1 3Å; L611-V620 HydrophobicContact CB-CG2 4.16Å; L611-V620 HydrophobicContact CD1-CG1 4.48Å; L611-V620 HydrophobicContact CD1-CG2 3.95Å; L611-V620 HydrophobicContact CD2-CG2 4.28Å; L611-V620 HydrophobicContact CG-CG2 4.36Å
612K72.7Confident82.9Confident125 Ų12564.2 Ų64.254%0.54336%0.361SS..THydrogen-bonded Turntrans-68.4-3.1-171.9-73.7176178.5174.70116.2S608S608-K612 WeakPolarHBondContact O-CG 3.34Å; S608-K612 PolarHBondContact O-N 2.96Å
613G70.1Confident82.9Confident77 Ų7764.1 Ų64.179%0.79436%0.36SS*.THydrogen-bonded Turntrans-117.43.517800000114.9L611L611-G613 PolarHBondContact O-N 3.11Å
614G72.1Confident82.8Confident40 Ų4062.7 Ų62.741%0.41235%0.35SS..SBendtrans-98.1175.5-17200000114.6L611 D616 T617L611-G614 PolarHBondContact O-N 3.41Å; G614-D616 PolarHBondContact O-N 3.27Å; G614-T617 PolarHBondContact N-OG1 2.67Å; G614-T617 VanDerWaalsContact N-OG1 3.16Å; G614-T617 WeakPolarHBondContact O-CB 3.31Å; G614-T617 PolarHBondContact O-N 3.08Å; G614-T617 PolarHBondContact O-OG1 3.25Å
615K75.2Confident82.8Confident201 Ų20166.4 Ų66.487%0.87437%0.368SS*.THydrogen-bonded Turntrans-64.3-21.8170.4-69.8-175.4178.1-178.90113.2
616D77.7Confident83Confident50 Ų5064.2 Ų64.227%0.26735%0.35SS..THydrogen-bonded Turntrans-96.110.9-176-54.9-58000112.6T580 K584 G614 D618 Y619T580-D616 HydrophobicContact CG2-CB 3.71Å; T580-D616 VanDerWaalsContact CG2-CG 3.5Å; T580-D616 WeakPolarHBondContact CG2-OD2 3.39Å; K584-D616 WeakPolarHBondContact CE-OD1 3.27Å; K584-D616 IonicContact NZ-OD1 3.65Å; K584-D616 PolarHBondContact NZ-OD1 3.04Å; K584-D616 IonicContact NZ-OD2 2.81Å; G614-D616 PolarHBondContact O-N 3.27Å; D616-D618 PolarHBondContact O-N 3.2Å; D616-Y619 HydrophobicContact CB-CD2 4.19Å; D616-Y619 PolarHBondContact O-N 2.95Å
617T82.7Confident83.1Confident21 Ų2162.1 Ų62.113%0.12934%0.336CS..Hα-helixtrans-60.2-32.4-179.6-54.40000111.9L611 G614 Y619 V620 N621L611-T617 PolarHBondContact O-OG1 3Å; G614-T617 PolarHBondContact N-OG1 2.67Å; G614-T617 VanDerWaalsContact N-OG1 3.16Å; G614-T617 WeakPolarHBondContact O-CB 3.31Å; G614-T617 PolarHBondContact O-N 3.08Å; G614-T617 PolarHBondContact O-OG1 3.25Å; T617-Y619 PolarHBondContact O-N 3.16Å; T617-V620 PolarHBondContact O-N 3.06Å; T617-N621 PolarHBondContact O-N 3.3Å
618D86Confident83.3Confident121 Ų12168.2 Ų68.265%0.64736%0.364SS*.Hα-helixtrans-61.9-44.5-178.2-63.4-20.1000111.9D616 V620 N621 E622D616-D618 PolarHBondContact O-N 3.2Å; D618-V620 VanDerWaalsContact C-N 3.28Å; D618-V620 PolarHBondContact O-N 2.88Å; D618-N621 PolarHBondContact O-N 3.33Å; D618-E622 WeakPolarHBondContact O-CB 3.45Å; D618-E622 PolarHBondContact O-N 3.29Å
619Y87.1Confident83.5Confident100 Ų10074.7 Ų74.739%0.39239%0.391SS..Hα-helixtrans-62.7-36178.1-62.4-71.3000112.6K584 D616 T617 F623K584-Y619 HydrophobicContact CG-CD2 4.22Å; K584-Y619 HydrophobicContact CG-CE2 3.96Å; D616-Y619 HydrophobicContact CB-CD2 4.19Å; D616-Y619 PolarHBondContact O-N 2.95Å; T617-Y619 PolarHBondContact O-N 3.16Å; Y619-F623 PolarHBondContact O-N 2.86Å; Y619-F623 VanDerWaalsContact O-N 3.15Å
620V87Confident83.6Confident3 Ų373.5 Ų73.52%0.01838%0.381CS..Hα-helixtrans-71.1-45179.81770000110.5L583 V602 L611 T617 D618 F623 L624L583-V620 HydrophobicContact CD1-CB 4.43Å; L583-V620 HydrophobicContact CD1-CG2 3.76Å; V602-V620 HydrophobicContact CG1-CG1 3.84Å; L611-V620 HydrophobicContact CB-CG2 4.16Å; L611-V620 HydrophobicContact CD1-CG1 4.48Å; L611-V620 HydrophobicContact CD1-CG2 3.95Å; L611-V620 HydrophobicContact CD2-CG2 4.28Å; L611-V620 HydrophobicContact CG-CG2 4.36Å; T617-V620 PolarHBondContact O-N 3.06Å; D618-V620 VanDerWaalsContact C-N 3.28Å; D618-V620 PolarHBondContact O-N 2.88Å; V620-F623 PolarHBondContact O-N 2.86Å; V620-L624 HydrophobicContact CG1-CD1 4.08Å; V620-L624 WeakPolarHBondContact O-CG 3.35Å; V620-L624 PolarHBondContact O-N 3.28Å
621N87.7Confident83.6Confident63 Ų6376 Ų7634%0.33739%0.386SS..Hα-helixtrans-63.8-43.7177.1-68.7-19.5000111.1T617 D618 F623 L624 E625T617-N621 PolarHBondContact O-N 3.3Å; D618-N621 PolarHBondContact O-N 3.33Å; N621-F623 VanDerWaalsContact C-N 3.32Å; N621-F623 PolarHBondContact O-N 3Å; N621-L624 PolarHBondContact O-N 3.38Å; N621-E625 WeakPolarHBondContact O-CB 3.03Å; N621-E625 VanDerWaalsContact O-CG 3.32Å; N621-E625 WeakPolarHBondContact O-CG 3.27Å; N621-E625 PolarHBondContact O-N 3.28Å
622E89.3Confident83.3Confident85 Ų8578.9 Ų78.940%0.39741%0.407SS..Hα-helixtrans-58.6-43.6177.5-173-174.9160.100111.9Q588 D618 Y626Q588-E622 PolarHBondContact NE2-OE1 3.43Å; D618-E622 WeakPolarHBondContact O-CB 3.45Å; D618-E622 PolarHBondContact O-N 3.29Å; E622-Y626 WeakPolarHBondContact O-CB 3.27Å; E622-Y626 PolarHBondContact O-N 2.83Å; E622-Y626 VanDerWaalsContact O-N 3.1Å
623F91Very high82.5Confident0 Ų078.8 Ų78.80%042%0.419CS..Hα-helixtrans-63.8-45.1176176.2-93.7000112.4L583 Y590 F594 M595 L598 H599 V602 Y619 V620 N621 Y626 Y627L583-F623 HydrophobicContact CD2-CB 3.75Å; L583-F623 HydrophobicContact CD2-CD2 3.76Å; L583-F623 HydrophobicContact CD2-CG 3.75Å; Y590-F623 HydrophobicContact CD2-CD2 4.16Å; Y590-F623 AromaticContact CE2-CD2 3.92Å; Y590-F623 HydrophobicContact CE2-CD2 3.92Å; F594-F623 HydrophobicContact CD1-CE2 4.4Å; F594-F623 AromaticContact CE1-CE2 3.94Å; F594-F623 HydrophobicContact CE1-CE2 3.94Å; M595-F623 HydrophobicContact CG-CE2 4.22Å; L598-F623 HydrophobicContact CB-CZ 4.11Å; L598-F623 HydrophobicContact CD2-CE2 4.02Å; L598-F623 HydrophobicContact CD2-CZ 4.16Å; L598-F623 HydrophobicContact CG-CZ 4.27Å; H599-F623 HydrophobicContact CB-CE1 4.29Å; H599-F623 HydrophobicContact CB-CZ 4.46Å; V602-F623 HydrophobicContact CB-CE1 4.38Å; V602-F623 HydrophobicContact CG1-CD1 4.26Å; V602-F623 HydrophobicContact CG2-CD1 4.13Å; V602-F623 HydrophobicContact CG2-CE1 3.96Å; Y619-F623 PolarHBondContact O-N 2.86Å; Y619-F623 VanDerWaalsContact O-N 3.15Å; V620-F623 PolarHBondContact O-N 2.86Å; N621-F623 VanDerWaalsContact C-N 3.32Å; N621-F623 PolarHBondContact O-N 3Å; F623-Y626 PolarHBondContact O-N 2.81Å; F623-Y627 WeakPolarHBondContact O-CB 3.08Å; F623-Y627 PolarHBondContact O-N 3.41Å
624L90.1Very high81.8Confident32 Ų3280.2 Ų80.217%0.16842%0.417CS..Hα-helixtrans-67.7-42.2-179.5-69175.4000112.2V602 V603 V620 N621 Y626 Y627 E628V602-L624 HydrophobicContact CG1-CD1 4.44Å; V602-L624 HydrophobicContact CG1-CD2 3.95Å; V602-L624 HydrophobicContact CG1-CG 4.19Å; V603-L624 HydrophobicContact CG1-CD2 3.79Å; V620-L624 HydrophobicContact CG1-CD1 4.08Å; V620-L624 WeakPolarHBondContact O-CG 3.35Å; V620-L624 PolarHBondContact O-N 3.28Å; N621-L624 PolarHBondContact O-N 3.38Å; L624-Y626 VanDerWaalsContact C-N 3.31Å; L624-Y626 PolarHBondContact O-N 3.12Å; L624-Y627 PolarHBondContact O-N 3.17Å; L624-E628 WeakPolarHBondContact O-CG 3.09Å; L624-E628 PolarHBondContact O-N 3.22Å
625E89.9Confident80.7Confident135 Ų13582.9 Ų82.963%0.63143%0.427SS*.Hα-helixtrans-60-42175.2-75.1178.2-170.200111.4N621 K629N621-E625 WeakPolarHBondContact O-CB 3.03Å; N621-E625 VanDerWaalsContact O-CG 3.32Å; N621-E625 WeakPolarHBondContact O-CG 3.27Å; N621-E625 PolarHBondContact O-N 3.28Å; E625-K629 WeakPolarHBondContact O-CB 3.44Å; E625-K629 PolarHBondContact O-N 3.48Å
626Y88.9Confident79.4Confident31 Ų3179.1 Ų79.112%0.12243%0.426CS..Hα-helixtrans-67.1-43.3176.2-168.6-88.4000112Q588 P589 Y590 M595 E622 F623 L624 E628 K629 E630Q588-Y626 HydrophobicContact CB-CE2 4.41Å; Q588-Y626 VanDerWaalsContact CD-CD2 3.44Å; Q588-Y626 HydrophobicContact CG-CD2 3.99Å; Q588-Y626 HydrophobicContact CG-CE2 4.19Å; Q588-Y626 HydrophobicContact CG-CG 4.41Å; Q588-Y626 VanDerWaalsContact OE1-CE2 3.31Å; P589-Y626 WeakPolarHBondContact CB-OH 3.28Å; Y590-Y626 AromaticContact CD2-CD1 3.54Å; Y590-Y626 HydrophobicContact CD2-CD1 3.54Å; Y590-Y626 AromaticContact CD2-CE1 3.95Å; Y590-Y626 HydrophobicContact CD2-CE1 3.95Å; Y590-Y626 HydrophobicContact CD2-CG 4.02Å; Y590-Y626 HydrophobicContact CE2-CD1 4.33Å; Y590-Y626 HydrophobicContact CE2-CG 4.38Å; Y590-Y626 HydrophobicContact CG-CD1 4.43Å; Y590-Y626 HydrophobicContact CG-CE1 4.47Å; M595-Y626 HydrophobicContact CE-CE1 4.31Å; M595-Y626 HydrophobicContact SD-CD1 3.63Å; M595-Y626 HydrophobicContact SD-CE1 3.83Å; E622-Y626 WeakPolarHBondContact O-CB 3.27Å; E622-Y626 PolarHBondContact O-N 2.83Å; E622-Y626 VanDerWaalsContact O-N 3.1Å; F623-Y626 PolarHBondContact O-N 2.81Å; L624-Y626 VanDerWaalsContact C-N 3.31Å; L624-Y626 PolarHBondContact O-N 3.12Å; Y626-E628 VanDerWaalsContact C-N 3.34Å; Y626-E628 PolarHBondContact O-N 3.19Å; Y626-K629 PolarHBondContact O-N 3.39Å; Y626-E630 HydrophobicContact CD1-CG 4.04Å; Y626-E630 HydrophobicContact CE1-CG 3.61Å; Y626-E630 PolarHBondContact O-N 2.63Å
627Y89Confident77.7Confident41 Ų4190.4 Ų90.416%0.16147%0.467CS..Hα-helixtrans-59.6-43.2176.8-175.8-88.3000112.2M595 H599 F623 L624 N631M595-Y627 HydrophobicContact CB-CD2 3.85Å; M595-Y627 HydrophobicContact CB-CE2 4.12Å; M595-Y627 HydrophobicContact CG-CD2 4.37Å; M595-Y627 HydrophobicContact SD-CD2 4.26Å; H599-Y627 HydrophobicContact CB-CD2 4.05Å; H599-Y627 HydrophobicContact CB-CE2 3.65Å; H599-Y627 AromaticContact CD2-CD1 3.45Å; H599-Y627 VanDerWaalsContact CD2-CD1 3.45Å; H599-Y627 WeakPolarHBondContact CD2-CD1 3.27Å; H599-Y627 AromaticContact CD2-CD2 3.82Å; H599-Y627 AromaticContact CD2-CE1 3.39Å; H599-Y627 WeakPolarHBondContact CD2-CE1 3.42Å; H599-Y627 AromaticContact CD2-CE2 3.78Å; H599-Y627 AromaticContact CD2-CG 3.67Å; H599-Y627 AromaticContact CD2-CZ 3.56Å; H599-Y627 AromaticContact CE1-CE1 3.88Å; H599-Y627 AromaticContact CG-CE1 3.9Å; H599-Y627 AromaticContact CG-CE2 3.71Å; H599-Y627 AromaticContact CG-CZ 3.58Å; H599-Y627 AromaticContact ND1-CZ 3.91Å; H599-Y627 AromaticContact NE2-CD1 3.65Å; H599-Y627 AromaticContact NE2-CE1 3.39Å; H599-Y627 WeakPolarHBondContact NE2-CE1 3.41Å; H599-Y627 AromaticContact NE2-CZ 3.89Å; F623-Y627 WeakPolarHBondContact O-CB 3.08Å; F623-Y627 PolarHBondContact O-N 3.41Å; L624-Y627 PolarHBondContact O-N 3.17Å; Y627-N631 WeakPolarHBondContact CD1-ND2 3.49Å; Y627-N631 WeakPolarHBondContact CE1-ND2 3.44Å; Y627-N631 VanDerWaalsContact CE2-ND2 3.32Å; Y627-N631 WeakPolarHBondContact CE2-ND2 3.5Å; Y627-N631 WeakPolarHBondContact O-CB 3.18Å; Y627-N631 PolarHBondContact O-N 3.12Å; Y627-N631 VanDerWaalsContact O-N 3.07Å; Y627-N631 PolarHBondContact O-ND2 3.39Å; Y627-N631 VanDerWaalsContact O-ND2 3.14Å
628E88.5Confident77.5Confident128 Ų12893.9 Ų93.960%0.59848%0.484SS*.Hα-helixtrans-64.9-41.2176.1-75179.8-176.400111.5L624 Y626 S632L624-E628 WeakPolarHBondContact O-CG 3.09Å; L624-E628 PolarHBondContact O-N 3.22Å; Y626-E628 VanDerWaalsContact C-N 3.34Å; Y626-E628 PolarHBondContact O-N 3.19Å; E628-S632 VanDerWaalsContact O-CB 3.28Å; E628-S632 WeakPolarHBondContact O-CB 3.5Å; E628-S632 PolarHBondContact O-N 2.92Å; E628-S632 PolarHBondContact O-OG 3.34Å
629K87.9Confident77Confident149 Ų14992.4 Ų92.465%0.64848%0.475SS*.Hα-helixtrans-62.8-42.9179.1-175.5-176.4174.3-170.50112.6E625 Y626E625-K629 WeakPolarHBondContact O-CB 3.44Å; E625-K629 PolarHBondContact O-N 3.48Å; Y626-K629 PolarHBondContact O-N 3.39Å
630E83.4Confident76.5Confident100 Ų10092 Ų9247%0.46748%0.48SS..Hα-helixtrans-76.4-32.4-179.4-70.8-65.6136.100112.8M595 Y626M595-E630 HydrophobicContact CE-CB 4.1Å; M595-E630 HydrophobicContact CE-CG 4.2Å; Y626-E630 HydrophobicContact CD1-CG 4.04Å; Y626-E630 HydrophobicContact CE1-CG 3.61Å; Y626-E630 PolarHBondContact O-N 2.63Å
631N79.4Confident75.9Confident87 Ų8797.2 Ų97.247%0.46551%0.507SS..Hα-helixtrans-89.8-6.2176.7-72.8-57.3000114.1Y627Y627-N631 WeakPolarHBondContact CD1-ND2 3.49Å; Y627-N631 WeakPolarHBondContact CE1-ND2 3.44Å; Y627-N631 VanDerWaalsContact CE2-ND2 3.32Å; Y627-N631 WeakPolarHBondContact CE2-ND2 3.5Å; Y627-N631 WeakPolarHBondContact O-CB 3.18Å; Y627-N631 PolarHBondContact O-N 3.12Å; Y627-N631 VanDerWaalsContact O-N 3.07Å; Y627-N631 PolarHBondContact O-ND2 3.39Å; Y627-N631 VanDerWaalsContact O-ND2 3.14Å
632S73.9Confident75.1Confident67 Ų6799.4 Ų99.447%0.46952%0.517SS..SBendtrans-65.7129.5170.8-72.20000108.9E628 S634E628-S632 VanDerWaalsContact O-CB 3.28Å; E628-S632 WeakPolarHBondContact O-CB 3.5Å; E628-S632 PolarHBondContact O-N 2.92Å; E628-S632 PolarHBondContact O-OG 3.34Å; S632-S634 PolarHBondContact O-N 3.31Å
633P56Low74.2Confident124 Ų124100.3 Ų100.381%0.80553%0.525SS*.PPolyproline II helixtrans-57.3116.5177.222.7-31.2000108.4
634S54Low73Confident106 Ų106107.5 Ų107.574%0.74156%0.563SS**PPolyproline II helixtrans-51.9127.4174.8520000108S632 S636S632-S634 PolarHBondContact O-N 3.31Å; S634-S636 PolarHBondContact O-N 3.25Å
635P50.9Low71.7Confident97 Ų97113.3 Ų113.363%0.6359%0.593SS**PPolyproline II helixtrans-56.5119.6-17620-30.2000108.9Y637P635-Y637 HydrophobicContact CG-CE2 4.36Å; P635-Y637 PolarHBondContact O-N 3.37Å
636S46.1Very low70.1Confident122 Ų122111.5 Ų111.585%0.85359%0.59SS**  trans-56.310817146.40000108.2S634S634-S636 PolarHBondContact O-N 3.25Å
637Y43.6Very low68.4Low286 Ų286118.8 Ų118.8100%1.12263%0.633SS**  trans-82.30167-83.1-76.9000110.6P635P635-Y637 HydrophobicContact CG-CE2 4.36Å; P635-Y637 PolarHBondContact O-N 3.37Å

Retrieved 637 of 637 residues in 1158.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).