A0A061IQI3_CRIGR Loading...

Platelet glycoprotein 4

AlphaFold DB , UniProt , Accession A0A061IQI3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cd36, Length 472 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low70.8Confident246 Ų24690.8 Ų90.8100%1.21253%0.53SS*.  030.90-77.3172.1158.100113.7
2G50.2Low72.2Confident47 Ų4783.9 Ų83.949%0.48549%0.493SS..  trans-100.9-13.2-177.700000116.1
3C51.6Low73.5Confident106 Ų10677.9 Ų77.972%0.71646%0.459SS*.Hα-helixtrans-75.4-40.2-173.9-131.90000112.6R5 C7C3-R5 PolarHBondContact O-N 2.92Å; C3-C7 PolarHBondContact O-N 2.81Å
4D63.2Low74.7Confident147 Ų14778.3 Ų78.379%0.78646%0.462SS*.Hα-helixtrans-65.5-37.7-177.7-89-35.4000113.9C7 G8D4-C7 PolarHBondContact O-N 2.83Å; D4-G8 PolarHBondContact O-N 2.92Å
5R71Confident75.8Confident142 Ų14279.5 Ų79.554%0.53646%0.464SS..Hα-helixtrans-69.6-39.7-175.2-164.8175.972.8-171.20.7112.2C3 G8 L9C3-R5 PolarHBondContact O-N 2.92Å; R5-G8 PolarHBondContact O-N 3.33Å; R5-L9 VanDerWaalsContact O-CG 3.3Å; R5-L9 WeakPolarHBondContact O-CG 3.26Å; R5-L9 PolarHBondContact O-N 3.31Å; R5-L9 VanDerWaalsContact O-N 3.08Å
6N77.2Confident76.8Confident43 Ų4374.5 Ų74.523%0.2344%0.435CS..Hα-helixtrans-70.7-38.3177.8-74.4-11.1000111.3L9 I10 Y463N6-L9 PolarHBondContact O-N 3.3Å; N6-I10 VanDerWaalsContact O-CG1 3.29Å; N6-I10 WeakPolarHBondContact O-CG1 3.39Å; N6-I10 PolarHBondContact O-N 3.45Å; N6-Y463 HydrophobicContact CB-CE2 4.31Å
7C79.5Confident77.6Confident78 Ų7872.1 Ų72.153%0.52743%0.426SS..Hα-helixtrans-61.1-43.2172.4-79.60000112C3 D4 I10 A11C3-C7 PolarHBondContact O-N 2.81Å; D4-C7 PolarHBondContact O-N 2.83Å; C7-I10 PolarHBondContact O-N 3.34Å; C7-A11 WeakPolarHBondContact O-CB 3.23Å; C7-A11 PolarHBondContact O-N 2.84Å
8G81.4Confident78.3Confident41 Ų4173.1 Ų73.142%0.42343%0.433SS..Hα-helixtrans-63-40.4175.900000113.7D4 R5 A11 G12D4-G8 PolarHBondContact O-N 2.92Å; R5-G8 PolarHBondContact O-N 3.33Å; G8-A11 PolarHBondContact O-N 3.22Å; G8-G12 PolarHBondContact O-N 3.49Å
9L86.5Confident79Confident24 Ų2472.1 Ų72.113%0.12643%0.425CS..Hα-helixtrans-67.9-40.3177.1-68.5172.9000112.2R5 N6 G12 A13 F459 Y463 C466R5-L9 VanDerWaalsContact O-CG 3.3Å; R5-L9 WeakPolarHBondContact O-CG 3.26Å; R5-L9 PolarHBondContact O-N 3.31Å; R5-L9 VanDerWaalsContact O-N 3.08Å; N6-L9 PolarHBondContact O-N 3.3Å; L9-G12 PolarHBondContact O-N 3.33Å; L9-A13 PolarHBondContact O-N 3.4Å; L9-F459 HydrophobicContact CD2-CD1 3.76Å; L9-F459 HydrophobicContact CD2-CE1 4.26Å; L9-Y463 HydrophobicContact CB-CD2 4.44Å; L9-C466 HydrophobicContact CD1-CB 4.32Å
10I86.4Confident79.5Confident77 Ų7769.5 Ų69.540%0.39541%0.412SS..Hα-helixtrans-66.3-43.3175.1-67.2167.5000110.2N6 C7 G12 A13 V14 Y463N6-I10 VanDerWaalsContact O-CG1 3.29Å; N6-I10 WeakPolarHBondContact O-CG1 3.39Å; N6-I10 PolarHBondContact O-N 3.45Å; C7-I10 PolarHBondContact O-N 3.34Å; I10-G12 VanDerWaalsContact C-N 3.35Å; I10-G12 PolarHBondContact O-N 2.96Å; I10-A13 PolarHBondContact O-N 2.81Å; I10-V14 HydrophobicContact CG2-CG2 4.37Å; I10-V14 WeakPolarHBondContact O-CG2 3.3Å; I10-V14 PolarHBondContact O-N 3.35Å; I10-Y463 HydrophobicContact CD1-CD2 4.42Å; I10-Y463 HydrophobicContact CD1-CE2 3.78Å; I10-Y463 HydrophobicContact CG1-CD2 4.02Å; I10-Y463 HydrophobicContact CG1-CE2 3.87Å
11A87.9Confident80Confident48 Ų4870.4 Ų70.440%0.39742%0.418SS..Hα-helixtrans-59.2-44.8175.900000111.7C7 G8 A13 V14 I15C7-A11 WeakPolarHBondContact O-CB 3.23Å; C7-A11 PolarHBondContact O-N 2.84Å; G8-A11 PolarHBondContact O-N 3.22Å; A11-A13 PolarHBondContact O-N 3.09Å; A11-V14 PolarHBondContact O-N 2.9Å; A11-I15 VanDerWaalsContact O-CG1 3.24Å; A11-I15 WeakPolarHBondContact O-CG1 3.37Å; A11-I15 PolarHBondContact O-N 2.76Å
12G87.8Confident82.1Confident8 Ų864.2 Ų64.28%0.08238%0.384CS..Hα-helixtrans-60.9-40.9175.200000113.4G8 L9 I10 I15 G16G8-G12 PolarHBondContact O-N 3.49Å; L9-G12 PolarHBondContact O-N 3.33Å; I10-G12 VanDerWaalsContact C-N 3.35Å; I10-G12 PolarHBondContact O-N 2.96Å; G12-I15 PolarHBondContact O-N 2.94Å; G12-G16 PolarHBondContact O-N 2.82Å
13A88.9Confident83.8Confident6 Ų662 Ų625%0.0536%0.361CS..Hα-helixtrans-64.6-43.9174.100000111.9L9 I10 A11 I15 G16 A17 F456 F459 M460L9-A13 PolarHBondContact O-N 3.4Å; I10-A13 PolarHBondContact O-N 2.81Å; A11-A13 PolarHBondContact O-N 3.09Å; A13-I15 PolarHBondContact O-N 3.46Å; A13-G16 PolarHBondContact O-N 3.01Å; A13-A17 PolarHBondContact O-N 2.73Å; A13-F456 HydrophobicContact CB-CD2 4.36Å; A13-F456 WeakPolarHBondContact O-CD2 3.24Å; A13-F459 HydrophobicContact CB-CB 3.97Å; A13-M460 HydrophobicContact CB-CG 3.96Å; A13-M460 HydrophobicContact CB-SD 3.89Å
14V90.7Very high85.3Confident83 Ų8358.4 Ų58.450%0.50334%0.342SS..Hα-helixtrans-62.1-44.2177.2171.80000111.1I10 A11 G16 A17 V18I10-V14 HydrophobicContact CG2-CG2 4.37Å; I10-V14 WeakPolarHBondContact O-CG2 3.3Å; I10-V14 PolarHBondContact O-N 3.35Å; A11-V14 PolarHBondContact O-N 2.9Å; V14-G16 VanDerWaalsContact C-N 3.32Å; V14-G16 PolarHBondContact O-N 3.02Å; V14-A17 PolarHBondContact O-N 2.59Å; V14-V18 HydrophobicContact CG1-CG2 4.4Å; V14-V18 VanDerWaalsContact O-CG2 3.32Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 2.9Å
15I91.3Very high86.4Confident96 Ų9656.1 Ų56.149%0.49233%0.329SS..Hα-helixtrans-59.9-44.8175.4-66166.3000110.3A11 G12 A13 A17 V18 L19 M455A11-I15 VanDerWaalsContact O-CG1 3.24Å; A11-I15 WeakPolarHBondContact O-CG1 3.37Å; A11-I15 PolarHBondContact O-N 2.76Å; G12-I15 PolarHBondContact O-N 2.94Å; A13-I15 PolarHBondContact O-N 3.46Å; I15-A17 PolarHBondContact O-N 3.27Å; I15-V18 PolarHBondContact O-N 2.85Å; I15-L19 HydrophobicContact CG2-CD1 4.13Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 3.49Å; I15-M455 HydrophobicContact CB-CE 4.35Å; I15-M455 HydrophobicContact CG2-CE 3.73Å
16G90.8Very high87Confident0 Ų051.1 Ų51.10%031%0.313CS..Hα-helixtrans-59.2-45.4175.200000113G12 A13 V14 L19 A20 G452G12-G16 PolarHBondContact O-N 2.82Å; A13-G16 PolarHBondContact O-N 3.01Å; V14-G16 VanDerWaalsContact C-N 3.32Å; V14-G16 PolarHBondContact O-N 3.02Å; G16-L19 PolarHBondContact O-N 2.89Å; G16-A20 WeakPolarHBondContact O-CB 3.47Å; G16-A20 PolarHBondContact O-N 2.89Å; G16-G452 CarbonylContact C-O 3.47Å; G16-G452 WeakPolarHBondContact CA-O 3.34Å; G16-G452 CarbonylContact O-C 3.37Å; G16-G452 VanDerWaalsContact O-CA 3.25Å; G16-G452 WeakPolarHBondContact O-CA 3.37Å; G16-G452 VanDerWaalsContact O-O 3.14Å
17A90.4Very high87.1Confident34 Ų3451.7 Ų51.728%0.28132%0.315SS..Hα-helixtrans-62.3-44.4176.800000111.9A13 V14 I15 L19 A20 V21 F456A13-A17 PolarHBondContact O-N 2.73Å; V14-A17 PolarHBondContact O-N 2.59Å; I15-A17 PolarHBondContact O-N 3.27Å; A17-L19 PolarHBondContact O-N 3.17Å; A17-A20 PolarHBondContact O-N 3.15Å; A17-V21 WeakPolarHBondContact O-CB 3.47Å; A17-V21 VanDerWaalsContact O-CG2 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.39Å; A17-F456 HydrophobicContact CB-CD2 3.79Å; A17-F456 HydrophobicContact CB-CE2 4.1Å
18V91.6Very high87.2Confident90 Ų9051.4 Ų51.455%0.54531%0.312SS..Hα-helixtrans-62.9-42.8177.5170.90000111.1V14 I15 V21 F22V14-V18 HydrophobicContact CG1-CG2 4.4Å; V14-V18 VanDerWaalsContact O-CG2 3.32Å; V14-V18 WeakPolarHBondContact O-CG2 3.4Å; V14-V18 PolarHBondContact O-N 2.9Å; I15-V18 PolarHBondContact O-N 2.85Å; V18-V21 PolarHBondContact O-N 2.88Å; V18-F22 VanDerWaalsContact O-CB 3.24Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 2.95Å
19L90.2Very high87.3Confident54 Ų5452.5 Ų52.528%0.28331%0.31SS..Hα-helixtrans-64.4-40.6176.3-73.3173.8000112.4I15 G16 A17 F22 G23 L448 M455I15-L19 HydrophobicContact CG2-CD1 4.13Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 3.49Å; G16-L19 PolarHBondContact O-N 2.89Å; A17-L19 PolarHBondContact O-N 3.17Å; L19-F22 PolarHBondContact O-N 3.25Å; L19-G23 PolarHBondContact O-N 3.26Å; L19-L448 HydrophobicContact CD2-CD2 4.3Å; L19-M455 HydrophobicContact CD1-CE 3.66Å
20A89.9Confident87Confident20 Ų2051.4 Ų51.417%0.16531%0.305CS..Hα-helixtrans-65.7-43.4176.500000111.7G16 A17 G23 G24 V453G16-A20 WeakPolarHBondContact O-CB 3.47Å; G16-A20 PolarHBondContact O-N 2.89Å; A17-A20 PolarHBondContact O-N 3.15Å; A20-G23 PolarHBondContact O-N 3.02Å; A20-G24 PolarHBondContact O-N 2.91Å; A20-V453 HydrophobicContact CB-CG2 4.11Å
21V89.7Confident86.7Confident89 Ų8952.7 Ų52.754%0.53931%0.312SS..Hα-helixtrans-63.8-43.7175.2170.70000110.7A17 V18 G24 I25A17-V21 WeakPolarHBondContact O-CB 3.47Å; A17-V21 VanDerWaalsContact O-CG2 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.39Å; V18-V21 PolarHBondContact O-N 2.88Å; V21-G24 PolarHBondContact O-N 2.88Å; V21-I25 HydrophobicContact CG1-CD1 3.74Å; V21-I25 HydrophobicContact CG1-CG1 4.42Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 2.96Å
22F87.8Confident86.5Confident116 Ų11655.3 Ų55.351%0.50932%0.318SS..Hα-helixtrans-64.5-45.1177.9-171.4-101.5000111.8V18 L19 G24 I25 L26 L448V18-F22 VanDerWaalsContact O-CB 3.24Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 2.95Å; L19-F22 PolarHBondContact O-N 3.25Å; F22-G24 VanDerWaalsContact C-N 3.32Å; F22-G24 PolarHBondContact O-N 3.47Å; F22-I25 PolarHBondContact O-N 3.2Å; F22-L26 VanDerWaalsContact O-CB 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.3Å; F22-L26 PolarHBondContact O-N 2.93Å; F22-L448 HydrophobicContact CD1-CD1 4.23Å; F22-L448 HydrophobicContact CE1-CD1 4.38Å
23G85.5Confident86.3Confident0 Ų059.7 Ų59.70%034%0.338CS..Hα-helixtrans-60.1-40.8173.500000112.5L19 A20 L26 M27L19-G23 PolarHBondContact O-N 3.26Å; A20-G23 PolarHBondContact O-N 3.02Å; G23-L26 PolarHBondContact O-N 3.24Å; G23-M27 PolarHBondContact O-N 2.86Å
24G84.1Confident86Confident31 Ų3160.6 Ų60.632%0.3234%0.344SS..Hα-helixtrans-67.6-35.617600000114.2A20 V21 F22 P28A20-G24 PolarHBondContact O-N 2.91Å; V21-G24 PolarHBondContact O-N 2.88Å; F22-G24 VanDerWaalsContact C-N 3.32Å; F22-G24 PolarHBondContact O-N 3.47Å; G24-P28 WeakPolarHBondContact O-CD 3.34Å
25I85.4Confident85.8Confident98 Ų9860.2 Ų60.250%0.50334%0.336SS..Hα-helixtrans-74.5-34.4173.6-68.6168.7000111V21 F22 M27 P28 V29V21-I25 HydrophobicContact CG1-CD1 3.74Å; V21-I25 HydrophobicContact CG1-CG1 4.42Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 2.96Å; F22-I25 PolarHBondContact O-N 3.2Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 2.87Å; I25-P28 WeakPolarHBondContact O-CD 3.45Å; I25-P28 WeakPolarHBondContact O-CG 3.24Å; I25-V29 HydrophobicContact CG2-CG2 4.12Å; I25-V29 VanDerWaalsContact O-CG2 3.28Å; I25-V29 WeakPolarHBondContact O-CG2 3.43Å; I25-V29 PolarHBondContact O-N 2.93Å
26L84.1Confident85.6Confident37 Ų3762 Ų6219%0.19434%0.341CS..Hα-helixtrans-65.1-32.3-178.9-168.366.9000111.5F22 G23 V29 G30 V444 E445 L448F22-L26 VanDerWaalsContact O-CB 3.27Å; F22-L26 WeakPolarHBondContact O-CB 3.3Å; F22-L26 PolarHBondContact O-N 2.93Å; G23-L26 PolarHBondContact O-N 3.24Å; L26-V29 PolarHBondContact O-N 3.49Å; L26-G30 WeakPolarHBondContact O-CA 3.43Å; L26-G30 PolarHBondContact O-N 2.87Å; L26-V444 HydrophobicContact CD2-CG1 4.4Å; L26-E445 HydrophobicContact CB-CG 4.17Å; L26-E445 HydrophobicContact CD2-CG 3.9Å; L26-E445 HydrophobicContact CG-CG 3.91Å; L26-L448 HydrophobicContact CD2-CD1 3.91Å
27M78.9Confident85.5Confident56 Ų5665.5 Ų65.528%0.27636%0.362SS..Hα-helixtrans-54.2-62.6176-69.8172.8-173.400113.7G23 I25 V29 G30 D31 E445 L449G23-M27 PolarHBondContact O-N 2.86Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 2.87Å; M27-V29 VanDerWaalsContact C-N 3.29Å; M27-V29 PolarHBondContact O-N 3.41Å; M27-G30 PolarHBondContact O-N 3.37Å; M27-D31 PolarHBondContact O-N 2.89Å; M27-E445 HydrophobicContact CE-CB 4.33Å; M27-E445 HydrophobicContact CG-CB 3.96Å; M27-E445 HydrophobicContact CG-CG 4.15Å; M27-L449 HydrophobicContact CE-CB 4.07Å; M27-L449 HydrophobicContact CE-CD1 3.97Å; M27-L449 HydrophobicContact CE-CD2 4.1Å; M27-L449 HydrophobicContact CE-CG 4.26Å
28P82.5Confident85.4Confident71 Ų7164.5 Ų64.546%0.46135%0.352SS..Hα-helixtrans-65.5-32.1179.426.1-35000112.6G24 I25 M32G24-P28 WeakPolarHBondContact O-CD 3.34Å; I25-P28 WeakPolarHBondContact O-CD 3.45Å; I25-P28 WeakPolarHBondContact O-CG 3.24Å; P28-M32 WeakPolarHBondContact O-CB 3.28Å; P28-M32 VanDerWaalsContact O-CG 3.22Å; P28-M32 WeakPolarHBondContact O-CG 2.88Å; P28-M32 PolarHBondContact O-N 3.48Å; P28-M32 VanDerWaalsContact O-N 3.11Å
29V83.4Confident85.4Confident65 Ų6563.9 Ų63.939%0.39434%0.342SS..Hα-helixtrans-70.6-39.3177.7173.90000111.2I25 L26 M27 M32 L33I25-V29 HydrophobicContact CG2-CG2 4.12Å; I25-V29 VanDerWaalsContact O-CG2 3.28Å; I25-V29 WeakPolarHBondContact O-CG2 3.43Å; I25-V29 PolarHBondContact O-N 2.93Å; L26-V29 PolarHBondContact O-N 3.49Å; M27-V29 VanDerWaalsContact C-N 3.29Å; M27-V29 PolarHBondContact O-N 3.41Å; V29-M32 PolarHBondContact O-N 2.92Å; V29-L33 HydrophobicContact CG1-CD1 4.2Å; V29-L33 VanDerWaalsContact O-CG 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 3.32Å
30G79.3Confident85.4Confident1 Ų168.6 Ų68.61%0.0136%0.36CS..Hα-helixtrans-65.9-49.5179.500000111L26 M27 M32 L33 V34 L441L26-G30 WeakPolarHBondContact O-CA 3.43Å; L26-G30 PolarHBondContact O-N 2.87Å; M27-G30 PolarHBondContact O-N 3.37Å; G30-M32 VanDerWaalsContact C-N 3.31Å; G30-M32 PolarHBondContact O-N 2.88Å; G30-L33 PolarHBondContact O-N 2.84Å; G30-L33 VanDerWaalsContact O-N 3.09Å; G30-V34 WeakPolarHBondContact O-CG2 3.36Å; G30-V34 PolarHBondContact O-N 3.05Å; G30-L441 VanDerWaalsContact CA-CD2 3.48Å
31D79.7Confident85.5Confident103 Ų10370.6 Ų70.655%0.55137%0.366SS*.Hα-helixtrans-55.2-46.6172.7-75.6-20.7000111.3M27 L33 V34 E35M27-D31 PolarHBondContact O-N 2.89Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-L33 PolarHBondContact O-N 3.47Å; D31-V34 PolarHBondContact O-N 3.42Å; D31-E35 VanDerWaalsContact O-CB 3.29Å; D31-E35 WeakPolarHBondContact O-CB 3.38Å; D31-E35 PolarHBondContact O-N 2.92Å
32M84.6Confident85.7Confident104 Ų10466.6 Ų66.651%0.51234%0.342SS..Hα-helixtrans-60.9-38.4175.9-78-179.568.300113.4P28 V29 G30 K36P28-M32 WeakPolarHBondContact O-CB 3.28Å; P28-M32 VanDerWaalsContact O-CG 3.22Å; P28-M32 WeakPolarHBondContact O-CG 2.88Å; P28-M32 PolarHBondContact O-N 3.48Å; P28-M32 VanDerWaalsContact O-N 3.11Å; V29-M32 PolarHBondContact O-N 2.92Å; G30-M32 VanDerWaalsContact C-N 3.31Å; G30-M32 PolarHBondContact O-N 2.88Å; M32-K36 WeakPolarHBondContact O-CB 3.25Å; M32-K36 VanDerWaalsContact O-CG 3.25Å; M32-K36 WeakPolarHBondContact O-CG 3.31Å; M32-K36 PolarHBondContact O-N 2.88Å
33L82.7Confident86.1Confident99 Ų9961.8 Ų61.852%0.51832%0.321SS..Hα-helixtrans-71.4-41.3178.7-74.7174.7000111.8V29 G30 D31 K36 T37V29-L33 HydrophobicContact CG1-CD1 4.2Å; V29-L33 VanDerWaalsContact O-CG 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.31Å; V29-L33 PolarHBondContact O-N 3.32Å; G30-L33 PolarHBondContact O-N 2.84Å; G30-L33 VanDerWaalsContact O-N 3.09Å; D31-L33 VanDerWaalsContact C-N 3.34Å; D31-L33 PolarHBondContact O-N 3.47Å; L33-K36 PolarHBondContact O-N 2.9Å; L33-T37 WeakPolarHBondContact O-CB 3.17Å; L33-T37 PolarHBondContact O-N 3.34Å; L33-T37 PolarHBondContact O-OG1 3.38Å
34V82.6Confident86.6Confident26 Ų2661.9 Ų61.916%0.15832%0.322CS..Hα-helixtrans-59.5-52.4173168.70000109.2G30 D31 K36 T37 I38 V438 L441G30-V34 WeakPolarHBondContact O-CG2 3.36Å; G30-V34 PolarHBondContact O-N 3.05Å; D31-V34 PolarHBondContact O-N 3.42Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.98Å; V34-T37 WeakPolarHBondContact O-CB 3.48Å; V34-T37 PolarHBondContact O-N 2.98Å; V34-I38 HydrophobicContact CG1-CG1 4.25Å; V34-I38 WeakPolarHBondContact O-CG1 3.44Å; V34-I38 PolarHBondContact O-N 3.37Å; V34-V438 HydrophobicContact CG1-CG2 3.58Å; V34-V438 HydrophobicContact CG2-CG2 4.22Å; V34-L441 HydrophobicContact CG2-CD2 3.59Å
35E86.8Confident87.1Confident75 Ų7564 Ų6435%0.3532%0.324SS..Hα-helixtrans-57.2-46.5-179.3-164.5-169.7149.300111.3D31 T37 I38 K39 F257D31-E35 VanDerWaalsContact O-CB 3.29Å; D31-E35 WeakPolarHBondContact O-CB 3.38Å; D31-E35 PolarHBondContact O-N 2.92Å; E35-T37 VanDerWaalsContact C-N 3.33Å; E35-T37 PolarHBondContact O-N 3.03Å; E35-I38 PolarHBondContact O-N 3.37Å; E35-K39 HydrophobicContact CG-CD 4.24Å; E35-K39 WeakPolarHBondContact O-CB 3.45Å; E35-K39 VanDerWaalsContact O-CG 3.24Å; E35-K39 WeakPolarHBondContact O-CG 3.49Å; E35-K39 PolarHBondContact O-N 2.69Å; E35-K39 WeakPolarHBondContact OE1-CE 3.35Å; E35-K39 IonicContact OE1-NZ 2.9Å; E35-K39 PolarHBondContact OE1-NZ 2.91Å; E35-F257 HydrophobicContact CB-CZ 4.23Å; E35-F257 HydrophobicContact CG-CE1 3.88Å; E35-F257 HydrophobicContact CG-CE2 3.87Å; E35-F257 HydrophobicContact CG-CZ 3.4Å
36K87.9Confident87.5Confident134 Ų13466.9 Ų66.958%0.58334%0.335SS*.Hα-helixtrans-60-41175-78.9177.9-178.2-177.60112.9M32 L33 V34 K40M32-K36 WeakPolarHBondContact O-CB 3.25Å; M32-K36 VanDerWaalsContact O-CG 3.25Å; M32-K36 WeakPolarHBondContact O-CG 3.31Å; M32-K36 PolarHBondContact O-N 2.88Å; L33-K36 PolarHBondContact O-N 2.9Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.98Å; K36-K40 PolarHBondContact O-N 2.91Å; K36-K40 VanDerWaalsContact O-N 3.17Å
37T87.4Confident87.7Confident72 Ų7267.9 Ų67.944%0.44235%0.354SS..Hα-helixtrans-66.3-46.4179.2-570000110.6L33 V34 E35 K40 E41L33-T37 WeakPolarHBondContact O-CB 3.17Å; L33-T37 PolarHBondContact O-N 3.34Å; L33-T37 PolarHBondContact O-OG1 3.38Å; V34-T37 WeakPolarHBondContact O-CB 3.48Å; V34-T37 PolarHBondContact O-N 2.98Å; E35-T37 VanDerWaalsContact C-N 3.33Å; E35-T37 PolarHBondContact O-N 3.03Å; T37-K40 PolarHBondContact O-N 2.84Å; T37-E41 HydrophobicContact CG2-CG 4.45Å; T37-E41 WeakPolarHBondContact O-CG 3.37Å; T37-E41 PolarHBondContact O-N 3.48Å
38I88.6Confident88.3Confident14 Ų1465.9 Ų65.97%0.07235%0.345CS..Hα-helixtrans-61.5-49.3176.7-63.9-62.5000110.4V34 E35 K40 E41 V42 P256 F257 I376 T377 V434V34-I38 HydrophobicContact CG1-CG1 4.25Å; V34-I38 WeakPolarHBondContact O-CG1 3.44Å; V34-I38 PolarHBondContact O-N 3.37Å; E35-I38 PolarHBondContact O-N 3.37Å; I38-K40 PolarHBondContact O-N 2.99Å; I38-K40 VanDerWaalsContact O-N 3.07Å; I38-E41 PolarHBondContact O-N 3.41Å; I38-E41 VanDerWaalsContact O-N 3.08Å; I38-V42 HydrophobicContact CG2-CG1 3.95Å; I38-V42 WeakPolarHBondContact O-CG1 3.21Å; I38-V42 WeakPolarHBondContact O-CG2 3.4Å; I38-V42 PolarHBondContact O-N 3.18Å; I38-P256 HydrophobicContact CG2-CB 4.27Å; I38-F257 HydrophobicContact CB-CE1 4.41Å; I38-F257 HydrophobicContact CB-CZ 3.98Å; I38-F257 HydrophobicContact CG2-CE1 4.15Å; I38-F257 HydrophobicContact CG2-CE2 4.48Å; I38-F257 HydrophobicContact CG2-CZ 3.75Å; I38-I376 HydrophobicContact CD1-CG2 3.96Å; I38-I376 HydrophobicContact CG1-CG2 3.79Å; I38-I376 HydrophobicContact CG2-CG2 4.16Å; I38-T377 HydrophobicContact CD1-CG2 4.44Å; I38-V434 HydrophobicContact CD1-CG1 4.03Å
39K92Very high88.5Confident77 Ų7764.8 Ų64.834%0.33534%0.335SS..Hα-helixtrans-55.8-28.2178.1-75.9-178.5169.8174.60113.2E35 V43 I221 F257E35-K39 HydrophobicContact CG-CD 4.24Å; E35-K39 WeakPolarHBondContact O-CB 3.45Å; E35-K39 VanDerWaalsContact O-CG 3.24Å; E35-K39 WeakPolarHBondContact O-CG 3.49Å; E35-K39 PolarHBondContact O-N 2.69Å; E35-K39 WeakPolarHBondContact OE1-CE 3.35Å; E35-K39 IonicContact OE1-NZ 2.9Å; E35-K39 PolarHBondContact OE1-NZ 2.91Å; K39-V43 VanDerWaalsContact O-CG2 3.26Å; K39-V43 WeakPolarHBondContact O-CG2 3.5Å; K39-I221 HydrophobicContact CB-CG1 4.41Å; K39-I221 HydrophobicContact CD-CG2 4.2Å; K39-I221 HydrophobicContact CG-CB 4.49Å; K39-I221 HydrophobicContact CG-CG1 4.29Å; K39-I221 HydrophobicContact CG-CG2 4.05Å; K39-I221 VanDerWaalsContact O-CD1 3.29Å; K39-I221 WeakPolarHBondContact O-CD1 3.42Å; K39-F257 HydrophobicContact CD-CE2 4.41Å; K39-F257 HydrophobicContact CG-CE2 3.79Å; K39-F257 HydrophobicContact CG-CZ 4.19Å
40K91Very high88.9Confident152 Ų15262 Ų6266%0.66132%0.318SS*.Hα-helixtrans-82.2-44.6174.8-174.4-179.2175.8-175.90112.7K36 T37 I38 V42K36-K40 PolarHBondContact O-N 2.91Å; K36-K40 VanDerWaalsContact O-N 3.17Å; T37-K40 PolarHBondContact O-N 2.84Å; I38-K40 PolarHBondContact O-N 2.99Å; I38-K40 VanDerWaalsContact O-N 3.07Å; K40-V42 VanDerWaalsContact C-N 3.32Å; K40-V42 PolarHBondContact O-N 3.41Å
41E91.1Very high89.7Confident63 Ų6362.9 Ų62.929%0.29432%0.322SS..Hα-helixtrans-75.2-18.5-175.4-70.9-60.7152.600114.2T37 I38 T48 I49 A50T37-E41 HydrophobicContact CG2-CG 4.45Å; T37-E41 WeakPolarHBondContact O-CG 3.37Å; T37-E41 PolarHBondContact O-N 3.48Å; I38-E41 PolarHBondContact O-N 3.41Å; I38-E41 VanDerWaalsContact O-N 3.08Å; E41-T48 WeakPolarHBondContact O-CB 3.45Å; E41-I49 HydrophobicContact CB-CD1 4.49Å; E41-I49 HydrophobicContact CG-CD1 4.38Å; E41-I49 WeakPolarHBondContact OE2-CG1 3.34Å; E41-I49 PolarHBondContact OE2-N 2.88Å; E41-A50 WeakPolarHBondContact O-CB 3.3Å; E41-A50 PolarHBondContact O-N 3.28Å; E41-A50 VanDerWaalsContact O-N 3.14Å
42V93.9Very high90.3Very high5 Ų564.6 Ų64.63%0.0332%0.324CS..THydrogen-bonded Turntrans-91.4-6.9179.1-56.60000114.4I38 K40 A50 I221 V224 P256 T377 F379I38-V42 HydrophobicContact CG2-CG1 3.95Å; I38-V42 WeakPolarHBondContact O-CG1 3.21Å; I38-V42 WeakPolarHBondContact O-CG2 3.4Å; I38-V42 PolarHBondContact O-N 3.18Å; K40-V42 VanDerWaalsContact C-N 3.32Å; K40-V42 PolarHBondContact O-N 3.41Å; V42-A50 VanDerWaalsContact O-CB 3.27Å; V42-A50 WeakPolarHBondContact O-CB 3.41Å; V42-I221 HydrophobicContact CG2-CD1 3.55Å; V42-I221 HydrophobicContact CG2-CG1 3.78Å; V42-V224 WeakPolarHBondContact O-CG2 3.36Å; V42-P256 HydrophobicContact CG2-CB 4.27Å; V42-P256 HydrophobicContact CG2-CG 3.9Å; V42-T377 HydrophobicContact CG1-CG2 4.46Å; V42-F379 HydrophobicContact CG1-CE1 4.26Å; V42-F379 HydrophobicContact CG1-CZ 4.01Å
43V96.6Very high90.5Very high14 Ų1462.8 Ų62.89%0.08532%0.317CS..SBendtrans-64.1139.7174.6-179.30000110.3K39 E45 T48 N216 K218 I221K39-V43 VanDerWaalsContact O-CG2 3.26Å; K39-V43 WeakPolarHBondContact O-CG2 3.5Å; V43-E45 HydrophobicContact CG1-CB 3.95Å; V43-E45 PolarHBondContact O-N 2.77Å; V43-T48 WeakPolarHBondContact O-CB 3.4Å; V43-T48 WeakPolarHBondContact O-CG2 3.38Å; V43-T48 PolarHBondContact O-OG1 2.96Å; V43-N216 WeakPolarHBondContact CG1-O 3.35Å; V43-K218 HydrophobicContact CG1-CB 4.19Å; V43-I221 HydrophobicContact CG2-CD1 3.78Å
44L96.8Very high91.1Very high3 Ų358.9 Ų58.92%0.01630%0.295CS..SBendtrans-81.768.1174.8-58.9-180000111.1A50 F51 W54 Q105 V112 V214 N216 V224 A225L44-A50 HydrophobicContact CD2-CB 4.14Å; L44-F51 HydrophobicContact CB-CD2 4.45Å; L44-W54 HydrophobicContact CD1-CD2 4.38Å; L44-W54 HydrophobicContact CD1-CG 4.4Å; L44-W54 HydrophobicContact CD2-CB 3.77Å; L44-W54 HydrophobicContact CD2-CD2 4.19Å; L44-W54 HydrophobicContact CD2-CG 3.69Å; L44-Q105 PolarHBondContact O-NE2 2.86Å; L44-V112 HydrophobicContact CB-CG1 4.22Å; L44-V112 HydrophobicContact CD1-CG1 4.12Å; L44-V214 HydrophobicContact CD1-CG2 4.04Å; L44-N216 HydrophobicContact CB-CB 4.09Å; L44-N216 PolarHBondContact N-O 3.08Å; L44-V224 HydrophobicContact CD1-CG2 4.39Å; L44-V224 HydrophobicContact CG-CG2 3.9Å; L44-A225 HydrophobicContact CD1-CB 4.12Å
45E93.9Very high91.7Very high75 Ų7559.2 Ų59.235%0.3530%0.297SS..SBendtrans-130.2149.3177.4-177.3171.4-129.700110.5V43 G47 T48 F51 K218V43-E45 HydrophobicContact CG1-CB 3.95Å; V43-E45 PolarHBondContact O-N 2.77Å; E45-G47 PolarHBondContact O-N 3.45Å; E45-T48 HydrophobicContact CB-CG2 4.42Å; E45-T48 WeakPolarHBondContact O-CG2 3.44Å; E45-T48 PolarHBondContact O-N 3.1Å; E45-T48 PolarHBondContact O-OG1 3.23Å; E45-T48 VanDerWaalsContact O-OG1 3.12Å; E45-F51 WeakPolarHBondContact O-CB 3.4Å; E45-F51 WeakPolarHBondContact O-CG 3.49Å; E45-K218 IonicContact OE1-NZ 2.89Å; E45-K218 PolarHBondContact OE1-NZ 3.36Å; E45-K218 IonicContact OE2-NZ 2.82Å
46E93Very high92Very high159 Ų15961.8 Ų61.874%0.74331%0.307SS*.THydrogen-bonded Turntrans-53.3132.8178.4-74.6-173.1-177.900112F51E46-F51 HydrophobicContact CB-CE1 4.4Å; E46-F51 HydrophobicContact CG-CD1 4.17Å; E46-F51 HydrophobicContact CG-CE1 3.55Å; E46-F51 HydrophobicContact CG-CZ 3.86Å
47G89.1Confident92Very high58 Ų5858.5 Ų58.560%0.59830%0.298SS*.THydrogen-bonded Turntrans100.9-25.6-179.500000114.8E45E45-G47 PolarHBondContact O-N 3.45Å
48T91.7Very high91.8Very high14 Ų1456.9 Ų56.99%0.08630%0.296CS..SBendtrans-73.7159.2-179.774.50000112.8E41 V43 E45 F51 K52E41-T48 WeakPolarHBondContact O-CB 3.45Å; V43-T48 WeakPolarHBondContact O-CB 3.4Å; V43-T48 WeakPolarHBondContact O-CG2 3.38Å; V43-T48 PolarHBondContact O-OG1 2.96Å; E45-T48 HydrophobicContact CB-CG2 4.42Å; E45-T48 WeakPolarHBondContact O-CG2 3.44Å; E45-T48 PolarHBondContact O-N 3.1Å; E45-T48 PolarHBondContact O-OG1 3.23Å; E45-T48 VanDerWaalsContact O-OG1 3.12Å; T48-F51 WeakPolarHBondContact OG1-CB 3.37Å; T48-F51 PolarHBondContact OG1-N 2.81Å; T48-K52 PolarHBondContact O-N 2.89Å
49I87.1Confident91.9Very high48 Ų4857.4 Ų57.425%0.24630%0.3CS..Hα-helixtrans-63.9-40.9173.6-64.2166.9000111.1E41 N53E41-I49 HydrophobicContact CB-CD1 4.49Å; E41-I49 HydrophobicContact CG-CD1 4.38Å; E41-I49 WeakPolarHBondContact OE2-CG1 3.34Å; E41-I49 PolarHBondContact OE2-N 2.88Å; I49-N53 PolarHBondContact O-N 3.16Å; I49-N53 PolarHBondContact O-ND2 3.41Å
50A91.6Very high92.1Very high5 Ų556.2 Ų56.24%0.04130%0.299CS..Hα-helixtrans-61-48.217800000112E41 V42 L44 K52 N53 W54 F379E41-A50 WeakPolarHBondContact O-CB 3.3Å; E41-A50 PolarHBondContact O-N 3.28Å; E41-A50 VanDerWaalsContact O-N 3.14Å; V42-A50 VanDerWaalsContact O-CB 3.27Å; V42-A50 WeakPolarHBondContact O-CB 3.41Å; L44-A50 HydrophobicContact CD2-CB 4.14Å; A50-K52 PolarHBondContact O-N 2.75Å; A50-N53 PolarHBondContact O-N 2.96Å; A50-W54 WeakPolarHBondContact O-CB 3.26Å; A50-W54 PolarHBondContact O-N 3.35Å; A50-F379 HydrophobicContact CB-CE1 4.04Å; A50-F379 HydrophobicContact CB-CZ 3.76Å
51F94.9Very high92.4Very high20 Ų2049.3 Ų49.39%0.08827%0.27CS..Hα-helixtrans-61.6-43.5-175.7-172.3-97.6000112.1L44 E45 E46 T48 N53 W54 V55 I103L44-F51 HydrophobicContact CB-CD2 4.45Å; E45-F51 WeakPolarHBondContact O-CB 3.4Å; E45-F51 WeakPolarHBondContact O-CG 3.49Å; E46-F51 HydrophobicContact CB-CE1 4.4Å; E46-F51 HydrophobicContact CG-CD1 4.17Å; E46-F51 HydrophobicContact CG-CE1 3.55Å; E46-F51 HydrophobicContact CG-CZ 3.86Å; T48-F51 WeakPolarHBondContact OG1-CB 3.37Å; T48-F51 PolarHBondContact OG1-N 2.81Å; F51-N53 PolarHBondContact O-N 3.25Å; F51-W54 HydrophobicContact CD2-CE3 4.16Å; F51-W54 HydrophobicContact CD2-CZ3 4.42Å; F51-W54 HydrophobicContact CE2-CE3 4.16Å; F51-W54 AromaticContact CE2-CZ3 3.99Å; F51-W54 HydrophobicContact CE2-CZ3 3.99Å; F51-W54 PolarHBondContact O-N 3.03Å; F51-V55 HydrophobicContact CD1-CG2 4Å; F51-V55 HydrophobicContact CE1-CG2 3.66Å; F51-V55 HydrophobicContact CE2-CG2 4.22Å; F51-V55 HydrophobicContact CG-CG2 4.41Å; F51-V55 HydrophobicContact CZ-CG2 3.8Å; F51-V55 WeakPolarHBondContact O-CG2 3.32Å; F51-V55 PolarHBondContact O-N 3.35Å; F51-I103 HydrophobicContact CE2-CG2 4.28Å; F51-I103 HydrophobicContact CZ-CG2 4.13Å
52K92.1Very high92.8Very high139 Ų13949.8 Ų49.860%0.60427%0.27SS*.Hα-helixtrans-58.4-47.4177.5-68.3176.1-172.7174.20112.1T48 A50 K56T48-K52 PolarHBondContact O-N 2.89Å; A50-K52 PolarHBondContact O-N 2.75Å; K52-K56 PolarHBondContact O-N 3.38Å
53N90.7Very high93Very high67 Ų6749.9 Ų49.936%0.35827%0.269SS..Hα-helixtrans-72.6-30178.9-70.7-66.9000112.7I49 A50 F51 K56 T57I49-N53 PolarHBondContact O-N 3.16Å; I49-N53 PolarHBondContact O-ND2 3.41Å; A50-N53 PolarHBondContact O-N 2.96Å; F51-N53 PolarHBondContact O-N 3.25Å; N53-K56 CarbonylContact O-C 3.51Å; N53-K56 VanDerWaalsContact O-C 3.28Å; N53-T57 WeakPolarHBondContact O-CA 3.47Å; N53-T57 PolarHBondContact O-N 3.24Å
54W94.5Very high93.1Very high17 Ų1751.4 Ų51.46%0.06428%0.276CS..Hα-helixtrans-70.9-43.5178175.786.6000111.9L44 A50 F51 K100 I103 V112 F114 V214L44-W54 HydrophobicContact CD1-CD2 4.38Å; L44-W54 HydrophobicContact CD1-CG 4.4Å; L44-W54 HydrophobicContact CD2-CB 3.77Å; L44-W54 HydrophobicContact CD2-CD2 4.19Å; L44-W54 HydrophobicContact CD2-CG 3.69Å; A50-W54 WeakPolarHBondContact O-CB 3.26Å; A50-W54 PolarHBondContact O-N 3.35Å; F51-W54 HydrophobicContact CD2-CE3 4.16Å; F51-W54 HydrophobicContact CD2-CZ3 4.42Å; F51-W54 HydrophobicContact CE2-CE3 4.16Å; F51-W54 AromaticContact CE2-CZ3 3.99Å; F51-W54 HydrophobicContact CE2-CZ3 3.99Å; F51-W54 PolarHBondContact O-N 3.03Å; W54-K100 HydrophobicContact CD2-CD 3.8Å; W54-K100 HydrophobicContact CE3-CD 4.01Å; W54-K100 HydrophobicContact CG-CD 4.47Å; W54-K100 HydrophobicContact CH2-CD 3.92Å; W54-K100 HydrophobicContact CZ2-CD 3.72Å; W54-K100 HydrophobicContact CZ3-CD 4.05Å; W54-K100 WeakPolarHBondContact O-CD 3.27Å; W54-K100 WeakPolarHBondContact O-CE 3.49Å; W54-K100 PolarHBondContact O-NZ 3.03Å; W54-I103 HydrophobicContact CH2-CG1 4.47Å; W54-I103 HydrophobicContact CH2-CG2 4.43Å; W54-I103 HydrophobicContact CZ3-CD1 4.16Å; W54-I103 HydrophobicContact CZ3-CG1 4.17Å; W54-I103 HydrophobicContact CZ3-CG2 4.09Å; W54-V112 HydrophobicContact CH2-CG1 3.89Å; W54-V112 HydrophobicContact CH2-CG2 3.77Å; W54-V112 HydrophobicContact CZ2-CG1 3.98Å; W54-V112 HydrophobicContact CZ3-CG2 4.2Å; W54-F114 HydrophobicContact CH2-CB 3.96Å; W54-F114 AromaticContact CH2-CD1 3.62Å; W54-F114 HydrophobicContact CH2-CD1 3.62Å; W54-F114 HydrophobicContact CH2-CE1 4.3Å; W54-F114 AromaticContact CH2-CG 3.9Å; W54-F114 HydrophobicContact CH2-CG 3.9Å; W54-F114 HydrophobicContact CZ2-CB 4.42Å; W54-F114 AromaticContact CZ2-CD1 3.24Å; W54-F114 HydrophobicContact CZ2-CD1 3.24Å; W54-F114 AromaticContact CZ2-CE1 3.47Å; W54-F114 HydrophobicContact CZ2-CE1 3.47Å; W54-F114 VanDerWaalsContact CZ2-CE1 3.47Å; W54-F114 AromaticContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CZ 4.26Å; W54-V214 HydrophobicContact CZ2-CG2 4.19Å
55V95.2Very high93.2Very high32 Ų3251.3 Ų51.319%0.19428%0.275CS..Hα-helixtrans-62.9-50.5176.5172.10000110.6F51 A99 K100 I103F51-V55 HydrophobicContact CD1-CG2 4Å; F51-V55 HydrophobicContact CE1-CG2 3.66Å; F51-V55 HydrophobicContact CE2-CG2 4.22Å; F51-V55 HydrophobicContact CG-CG2 4.41Å; F51-V55 HydrophobicContact CZ-CG2 3.8Å; F51-V55 WeakPolarHBondContact O-CG2 3.32Å; F51-V55 PolarHBondContact O-N 3.35Å; V55-A99 HydrophobicContact CG1-CB 4.26Å; V55-A99 CarbonylContact O-C 3.56Å; V55-A99 WeakPolarHBondContact O-CA 3.31Å; V55-K100 PolarHBondContact O-N 3.46Å; V55-I103 HydrophobicContact CB-CD1 4.3Å; V55-I103 HydrophobicContact CG1-CD1 3.88Å; V55-I103 HydrophobicContact CG2-CD1 3.61Å
56K92.8Very high93.5Very high130 Ų13049.1 Ų49.157%0.56526%0.263SS*.SBendtrans-139.3112.8177.3-170.3177.6-176.4176.70109.4K52 N53 A99K52-K56 PolarHBondContact O-N 3.38Å; N53-K56 CarbonylContact O-C 3.51Å; N53-K56 VanDerWaalsContact O-C 3.28Å; K56-A99 HydrophobicContact CB-CB 4.03Å; K56-A99 HydrophobicContact CD-CB 4.37Å; K56-A99 HydrophobicContact CG-CB 4.3Å
57T87.6Confident93.7Very high64 Ų6441.5 Ų41.539%0.39323%0.228SC..  trans-63.3138.3179.3-179.20000111.1N53 T59N53-T57 WeakPolarHBondContact O-CA 3.47Å; N53-T57 PolarHBondContact O-N 3.24Å; T57-T59 WeakPolarHBondContact CG2-O 3.45Å; T57-T59 PolarHBondContact OG1-N 2.78Å; T57-T59 VanDerWaalsContact OG1-N 3.14Å
58G83.7Confident94.2Very high38 Ų3838.8 Ų38.839%0.39220%0.2SC..SBendtrans-77-11.7170.800000113.3
59T91.8Very high94.5Very high26 Ų2639.1 Ų39.116%0.1620%0.201CC..SBendtrans-85.8132.7179.4-67.10000110.3T57 V61 T421T57-T59 WeakPolarHBondContact CG2-O 3.45Å; T57-T59 PolarHBondContact OG1-N 2.78Å; T57-T59 VanDerWaalsContact OG1-N 3.14Å; T59-V61 HydrophobicContact CG2-CG2 4.48Å; T59-V61 PolarHBondContact O-N 3.39Å; T59-T421 WeakPolarHBondContact CG2-O 3.42Å
60T95.4Very high95.1Very high52 Ų5237.1 Ų37.132%0.31919%0.191SC..PPolyproline II helixtrans-78.8122.4169.7-59.60000109Y62 R94T60-Y62 HydrophobicContact CG2-CD2 4.36Å; T60-Y62 HydrophobicContact CG2-CE1 3.98Å; T60-Y62 HydrophobicContact CG2-CE2 3.7Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.48Å; T60-R94 HydrophobicContact CG2-CG 4.06Å
61V97.4Very high95.4Very high7 Ų741.7 Ų41.74%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-102.3127.9178.8-175.40000109.2T59 V95 R96 F383 E418 T419T59-V61 HydrophobicContact CG2-CG2 4.48Å; T59-V61 PolarHBondContact O-N 3.39Å; V61-V95 HydrophobicContact CB-CG2 4.28Å; V61-V95 HydrophobicContact CG1-CG2 3.76Å; V61-V95 PolarHBondContact O-N 3.05Å; V61-V95 VanDerWaalsContact O-O 3.13Å; V61-R96 HydrophobicContact CB-CB 4.25Å; V61-R96 HydrophobicContact CG2-CB 4.32Å; V61-F383 HydrophobicContact CG1-CZ 3.86Å; V61-F383 HydrophobicContact CG2-CE1 4.37Å; V61-F383 HydrophobicContact CG2-CZ 4.28Å; V61-E418 HydrophobicContact CG1-CG 3.73Å; V61-T419 WeakPolarHBondContact CA-O 3.09Å
62Y98.6Very high95.6Very high73 Ų7341.6 Ų41.629%0.28621%0.212SC..EExtended strand (participates in β ladder)trans-110.4143.6173.1-62.5-73.9000109.9T60 T92 Y93 R94 E123 L126 E418 T419T60-Y62 HydrophobicContact CG2-CD2 4.36Å; T60-Y62 HydrophobicContact CG2-CE1 3.98Å; T60-Y62 HydrophobicContact CG2-CE2 3.7Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.48Å; Y62-T92 HydrophobicContact CD1-CG2 3.89Å; Y62-T92 HydrophobicContact CG-CG2 4.26Å; Y62-Y93 CarbonylContact C-O 3.48Å; Y62-Y93 WeakPolarHBondContact CA-O 3.26Å; Y62-R94 HydrophobicContact CD1-CB 4.22Å; Y62-R94 HydrophobicContact CE1-CB 4.16Å; Y62-R94 HydrophobicContact CE1-CG 4.42Å; Y62-E123 HydrophobicContact CD1-CG 4.47Å; Y62-E123 HydrophobicContact CE1-CG 4.15Å; Y62-L126 HydrophobicContact CD1-CD1 4.26Å; Y62-L126 HydrophobicContact CE1-CD1 3.83Å; Y62-E418 CarbonylContact O-C 3.54Å; Y62-E418 VanDerWaalsContact O-CA 3.31Å; Y62-E418 WeakPolarHBondContact O-CA 3.34Å; Y62-T419 PolarHBondContact N-O 3.11Å; Y62-T419 PolarHBondContact O-N 3.17Å
63R98.8Very high95.9Very high7 Ų736.4 Ų36.43%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-117.5115.2167.6-170.3-179.5-68.5157.7-1.3108.1F65 Y93 V95 Y204 L416 N417 E418R63-F65 HydrophobicContact CG-CE1 3.95Å; R63-F65 HydrophobicContact CG-CE2 4.18Å; R63-F65 HydrophobicContact CG-CZ 3.7Å; R63-Y93 PolarHBondContact N-O 2.93Å; R63-Y93 PolarHBondContact O-N 3.43Å; R63-V95 HydrophobicContact CB-CG1 3.88Å; R63-V95 HydrophobicContact CB-CG2 3.87Å; R63-Y204 PolarHBondContact NH1-OH 3.48Å; R63-Y204 PolarHBondContact NH2-OH 3.39Å; R63-L416 HydrophobicContact CG-CB 4.37Å; R63-L416 HydrophobicContact CG-CD1 4.28Å; R63-N417 WeakPolarHBondContact CA-O 3.27Å; R63-E418 HydrophobicContact CG-CB 4.32Å; R63-E418 IonicContact CZ-OE2 2.78Å; R63-E418 IonicContact NE-OE2 2.73Å; R63-E418 PolarHBondContact NE-OE2 3.33Å; R63-E418 IonicContact NH2-OE2 3.71Å; R63-E418 PolarHBondContact NH2-OE2 2.94Å
64Q98.9Very high96.2Very high46 Ų4639.2 Ų39.222%0.21521%0.207CC..EExtended strand (participates in β ladder)trans-103135.2-179.5-57.5178.4-59.100109.1W66 P90 Y91 T92 L416 N417Q64-W66 HydrophobicContact CB-CE3 4.33Å; Q64-W66 HydrophobicContact CB-CH2 3.65Å; Q64-W66 HydrophobicContact CB-CZ3 3.4Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.4Å; Q64-W66 HydrophobicContact CG-CH2 4.48Å; Q64-P90 HydrophobicContact CB-CB 3.91Å; Q64-P90 HydrophobicContact CG-CB 4.33Å; Q64-Y91 CarbonylContact C-O 3.44Å; Q64-Y91 WeakPolarHBondContact CA-O 3.29Å; Q64-T92 HydrophobicContact CG-CG2 4.09Å; Q64-L416 CarbonylContact O-C 3.26Å; Q64-L416 WeakPolarHBondContact O-CA 3.46Å; Q64-L416 WeakPolarHBondContact O-CB 3.43Å; Q64-N417 HydrophobicContact CB-CB 4.4Å; Q64-N417 PolarHBondContact N-O 3.49Å; Q64-N417 PolarHBondContact O-N 3.05Å; Q64-N417 PolarHBondContact OE1-ND2 3.06Å; Q64-N417 VanDerWaalsContact OE1-ND2 3.12Å
65F98.9Very high96.4Very high0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-115.5138.3-179.5-60.2-74.3000111.9R63 I67 P90 Y91 Y93 L179 W180 F201 L414 L416R63-F65 HydrophobicContact CG-CE1 3.95Å; R63-F65 HydrophobicContact CG-CE2 4.18Å; R63-F65 HydrophobicContact CG-CZ 3.7Å; F65-I67 HydrophobicContact CB-CD1 4.37Å; F65-P90 CarbonylContact O-C 3.59Å; F65-P90 WeakPolarHBondContact O-CA 3.44Å; F65-Y91 PolarHBondContact N-O 2.93Å; F65-Y91 PolarHBondContact O-N 2.92Å; F65-Y93 AromaticContact CD2-CD2 3.71Å; F65-Y93 HydrophobicContact CD2-CD2 3.71Å; F65-Y93 AromaticContact CD2-CE2 3.9Å; F65-Y93 HydrophobicContact CD2-CE2 3.9Å; F65-Y93 AromaticContact CE2-CD2 3.56Å; F65-Y93 HydrophobicContact CE2-CD2 3.56Å; F65-Y93 AromaticContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CG 4.35Å; F65-L179 HydrophobicContact CD1-CD2 4.16Å; F65-L179 HydrophobicContact CD2-CD1 3.67Å; F65-L179 HydrophobicContact CD2-CD2 4.39Å; F65-L179 HydrophobicContact CE1-CD2 4.25Å; F65-L179 HydrophobicContact CE2-CD1 3.81Å; F65-L179 HydrophobicContact CE2-CD2 4.47Å; F65-L179 HydrophobicContact CG-CD1 4.2Å; F65-L179 HydrophobicContact CG-CD2 4.21Å; F65-L179 HydrophobicContact CZ-CD1 4.44Å; F65-L179 HydrophobicContact CZ-CD2 4.38Å; F65-W180 HydrophobicContact CE2-CZ2 4.48Å; F65-F201 HydrophobicContact CD1-CE2 4.17Å; F65-F201 HydrophobicContact CE1-CD2 4.23Å; F65-F201 AromaticContact CE1-CE2 3.34Å; F65-F201 HydrophobicContact CE1-CE2 3.34Å; F65-F201 AromaticContact CE1-CZ 3.57Å; F65-F201 HydrophobicContact CE1-CZ 3.57Å; F65-F201 HydrophobicContact CZ-CD2 4.28Å; F65-F201 AromaticContact CZ-CE2 3.82Å; F65-F201 HydrophobicContact CZ-CE2 3.82Å; F65-F201 HydrophobicContact CZ-CZ 4.21Å; F65-L414 HydrophobicContact CD1-CD1 4.23Å; F65-L416 HydrophobicContact CD1-CB 3.69Å; F65-L416 HydrophobicContact CD1-CD2 4.46Å; F65-L416 HydrophobicContact CE1-CB 3.89Å; F65-L416 HydrophobicContact CE1-CD2 3.94Å
66W98.9Very high96.5Very high29 Ų2940.8 Ų40.811%0.1121%0.213CC..EExtended strand (participates in β ladder)trans-120.2120.9167.3-72.6-105.4000108.7Q64 R88 P90 L414 W415 N417Q64-W66 HydrophobicContact CB-CE3 4.33Å; Q64-W66 HydrophobicContact CB-CH2 3.65Å; Q64-W66 HydrophobicContact CB-CZ3 3.4Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.4Å; Q64-W66 HydrophobicContact CG-CH2 4.48Å; W66-R88 WeakPolarHBondContact CA-O 3.45Å; W66-P90 HydrophobicContact CD2-CB 4.45Å; W66-P90 HydrophobicContact CH2-CB 3.81Å; W66-P90 HydrophobicContact CZ2-CB 3.58Å; W66-P90 HydrophobicContact CZ2-CG 4.04Å; W66-P90 HydrophobicContact CZ3-CB 4.33Å; W66-L414 CarbonylContact O-C 3.59Å; W66-L414 WeakPolarHBondContact O-CA 3.2Å; W66-L414 VanDerWaalsContact O-CB 3.29Å; W66-L414 WeakPolarHBondContact O-CB 3.49Å; W66-W415 HydrophobicContact CB-CD2 4.11Å; W66-W415 HydrophobicContact CB-CG 4.18Å; W66-W415 HydrophobicContact CB-CZ2 4.08Å; W66-W415 VanDerWaalsContact CB-NE1 3.28Å; W66-W415 AromaticContact CD1-CZ2 4Å; W66-W415 HydrophobicContact CD2-CD2 4.28Å; W66-W415 AromaticContact CD2-CE2 3.64Å; W66-W415 AromaticContact CD2-CH2 3.59Å; W66-W415 HydrophobicContact CD2-CH2 3.59Å; W66-W415 AromaticContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ3 4.23Å; W66-W415 AromaticContact CE2-CH2 3.84Å; W66-W415 AromaticContact CE2-CZ2 3.63Å; W66-W415 AromaticContact CE3-CD2 3.92Å; W66-W415 HydrophobicContact CE3-CD2 3.92Å; W66-W415 AromaticContact CE3-CE2 3.74Å; W66-W415 AromaticContact CE3-CE3 3.81Å; W66-W415 HydrophobicContact CE3-CE3 3.81Å; W66-W415 AromaticContact CE3-CH2 3.34Å; W66-W415 HydrophobicContact CE3-CH2 3.34Å; W66-W415 AromaticContact CE3-CZ2 3.46Å; W66-W415 HydrophobicContact CE3-CZ2 3.46Å; W66-W415 VanDerWaalsContact CE3-CZ2 3.46Å; W66-W415 AromaticContact CE3-CZ3 3.53Å; W66-W415 HydrophobicContact CE3-CZ3 3.53Å; W66-W415 HydrophobicContact CG-CD2 4.39Å; W66-W415 AromaticContact CG-CE2 3.58Å; W66-W415 HydrophobicContact CG-CH2 4.35Å; W66-W415 AromaticContact CG-CZ2 3.55Å; W66-W415 HydrophobicContact CG-CZ2 3.55Å; W66-W415 AromaticContact CG-NE1 3.71Å; W66-W415 AromaticContact CH2-CH2 3.67Å; W66-W415 HydrophobicContact CH2-CH2 3.67Å; W66-W415 HydrophobicContact CH2-CZ2 4.31Å; W66-W415 HydrophobicContact CH2-CZ3 4.15Å; W66-W415 AromaticContact CZ2-CH2 3.89Å; W66-W415 HydrophobicContact CZ2-CH2 3.89Å; W66-W415 HydrophobicContact CZ2-CZ2 4.15Å; W66-W415 HydrophobicContact CZ3-CE3 4.15Å; W66-W415 AromaticContact CZ3-CH2 3.38Å; W66-W415 HydrophobicContact CZ3-CH2 3.38Å; W66-W415 AromaticContact CZ3-CZ2 3.99Å; W66-W415 HydrophobicContact CZ3-CZ2 3.99Å; W66-W415 AromaticContact CZ3-CZ3 3.49Å; W66-W415 HydrophobicContact CZ3-CZ3 3.49Å; W66-W415 VanDerWaalsContact CZ3-CZ3 3.49Å; W66-W415 PolarHBondContact N-O 3.02Å; W66-W415 PolarHBondContact O-N 2.65Å; W66-N417 HydrophobicContact CH2-CB 4.32Å; W66-N417 HydrophobicContact CZ3-CB 3.86Å
67I98.9Very high96.6Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-94.2136-178.5-47.4-53000108.8F65 D69 Q87 R88 F135 I137 L175 L178 L414F65-I67 HydrophobicContact CB-CD1 4.37Å; I67-D69 PolarHBondContact O-N 2.54Å; I67-Q87 CarbonylContact O-C 3.28Å; I67-Q87 WeakPolarHBondContact O-CA 3.47Å; I67-R88 PolarHBondContact N-O 3.48Å; I67-R88 PolarHBondContact O-N 3.15Å; I67-F135 HydrophobicContact CB-CD1 3.84Å; I67-F135 HydrophobicContact CB-CD2 4.49Å; I67-F135 HydrophobicContact CB-CE1 3.87Å; I67-F135 HydrophobicContact CB-CG 4.15Å; I67-F135 HydrophobicContact CB-CZ 4.22Å; I67-F135 HydrophobicContact CG1-CD1 4.42Å; I67-F135 HydrophobicContact CG1-CD2 4.39Å; I67-F135 HydrophobicContact CG1-CE1 4.11Å; I67-F135 HydrophobicContact CG1-CE2 4.1Å; I67-F135 HydrophobicContact CG1-CZ 3.94Å; I67-F135 HydrophobicContact CG2-CB 4.04Å; I67-F135 HydrophobicContact CG2-CD1 3.84Å; I67-F135 HydrophobicContact CG2-CD2 4.17Å; I67-F135 HydrophobicContact CG2-CE1 4.36Å; I67-F135 HydrophobicContact CG2-CG 3.73Å; I67-I137 HydrophobicContact CG2-CG2 4.11Å; I67-L175 HydrophobicContact CD1-CD1 3.83Å; I67-L175 HydrophobicContact CG1-CD1 3.68Å; I67-L178 HydrophobicContact CD1-CD2 4Å; I67-L178 HydrophobicContact CG1-CD2 4.45Å; I67-L178 HydrophobicContact CG2-CD2 3.81Å; I67-L414 HydrophobicContact CD1-CB 3.62Å; I67-L414 HydrophobicContact CD1-CD2 3.79Å; I67-L414 HydrophobicContact CD1-CG 4.38Å
68F98.9Very high97Very high1 Ų137 Ų370%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-85.997.6172.7-72.6-72.7000109.6V85 Q87 H345 L360 Q388 P412 I413 W415F68-V85 HydrophobicContact CB-CB 4.04Å; F68-V85 HydrophobicContact CB-CG1 4.14Å; F68-V85 HydrophobicContact CB-CG2 4.49Å; F68-V85 HydrophobicContact CD1-CB 4.01Å; F68-V85 HydrophobicContact CD1-CG2 3.65Å; F68-V85 HydrophobicContact CE1-CG2 4.3Å; F68-V85 HydrophobicContact CG-CB 4.45Å; F68-V85 HydrophobicContact CG-CG2 4.4Å; F68-Q87 HydrophobicContact CD1-CB 4.29Å; F68-Q87 HydrophobicContact CE1-CB 4.19Å; F68-H345 AromaticContact CE1-CE1 3.72Å; F68-H345 AromaticContact CZ-CE1 3.98Å; F68-H345 AromaticContact CZ-NE2 3.91Å; F68-L360 HydrophobicContact CD1-CD2 4.41Å; F68-L360 HydrophobicContact CE1-CD2 3.74Å; F68-L360 HydrophobicContact CZ-CD2 4.08Å; F68-Q388 HydrophobicContact CE2-CG 4.26Å; F68-Q388 VanDerWaalsContact CE2-OE1 3.3Å; F68-P412 HydrophobicContact CD2-CB 3.61Å; F68-P412 HydrophobicContact CD2-CG 4.2Å; F68-P412 HydrophobicContact CE2-CB 3.82Å; F68-P412 HydrophobicContact CG-CB 4.17Å; F68-P412 HydrophobicContact CG-CG 4.25Å; F68-I413 PolarHBondContact N-O 2.99Å; F68-W415 HydrophobicContact CE2-CB 4.43Å; F68-W415 AromaticContact CE2-CD1 3.67Å; F68-W415 HydrophobicContact CE2-CG 4.46Å; F68-W415 AromaticContact CZ-CD1 3.61Å
69D98.8Very high97.6Very high20 Ų2039.6 Ų39.611%0.10721%0.205CC..EExtended strand (participates in β ladder)trans-78.5119.6179.5-1603.1000109.7I67 Q71 V85 K86 R88 F135 T136I67-D69 PolarHBondContact O-N 2.54Å; D69-Q71 PolarHBondContact O-NE2 3.39Å; D69-V85 CarbonylContact O-C 3.28Å; D69-V85 WeakPolarHBondContact O-CA 3Å; D69-K86 WeakPolarHBondContact CB-O 3.24Å; D69-K86 PolarHBondContact N-O 2.87Å; D69-K86 PolarHBondContact O-N 2.97Å; D69-R88 WeakPolarHBondContact OD2-CD 3.36Å; D69-R88 IonicContact OD2-CZ 3.45Å; D69-R88 IonicContact OD2-NH1 2.63Å; D69-R88 PolarHBondContact OD2-NH1 2.95Å; D69-F135 HydrophobicContact CB-CD1 4.2Å; D69-T136 PolarHBondContact OD1-N 3.17Å
70V98.8Very high97.8Very high6 Ų638.6 Ų38.64%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-78.8125.9-175.51780000110.3P73 I83 V85 T136 F170V70-P73 HydrophobicContact CG1-CB 4.3Å; V70-I83 HydrophobicContact CG1-CG2 3.96Å; V70-I83 HydrophobicContact CG2-CG2 4.12Å; V70-V85 HydrophobicContact CG2-CG1 4.37Å; V70-T136 HydrophobicContact CB-CG2 4.13Å; V70-T136 WeakPolarHBondContact CB-O 3.49Å; V70-T136 WeakPolarHBondContact CG2-O 3.16Å; V70-T136 PolarHBondContact N-O 2.95Å; V70-F170 HydrophobicContact CB-CD1 4.37Å; V70-F170 HydrophobicContact CB-CE1 4.35Å; V70-F170 HydrophobicContact CG1-CD1 4.17Å; V70-F170 HydrophobicContact CG1-CE1 3.91Å; V70-F170 HydrophobicContact CG1-CZ 4.3Å; V70-F170 HydrophobicContact CG2-CD1 4.1Å; V70-F170 HydrophobicContact CG2-CE1 3.86Å
71Q98.8Very high97.9Very high102 Ų10236.8 Ų36.848%0.47719%0.189SC..SBendtrans-96.3-20-172-53.4-59.1-70.100113.6D69 K84 K86D69-Q71 PolarHBondContact O-NE2 3.39Å; Q71-K84 HydrophobicContact CB-CB 4.08Å; Q71-K84 PolarHBondContact N-O 2.93Å; Q71-K86 HydrophobicContact CG-CB 4.16Å
72N98.4Very high98Very high17 Ų1740 Ų409%0.09120%0.202CC..  trans-133.251.2-176.368.2-30.5000113.7D74 E75 V76 K82 K84N72-D74 PolarHBondContact O-N 2.88Å; N72-E75 HydrophobicContact CB-CB 4.17Å; N72-E75 PolarHBondContact ND2-OE2 2.7Å; N72-E75 PolarHBondContact O-N 2.83Å; N72-V76 WeakPolarHBondContact O-CG2 3.29Å; N72-V76 PolarHBondContact O-N 3.14Å; N72-K82 PolarHBondContact ND2-O 3.12Å; N72-K84 HydrophobicContact CB-CD 4.45Å; N72-K84 WeakPolarHBondContact OD1-CB 3.47Å; N72-K84 PolarHBondContact OD1-N 3.38Å
73P98.1Very high98Very high30 Ų3036.5 Ų36.520%0.19519%0.189CC..Hα-helixtrans-57.4-44.6-173.426.2-36.6000113.5V70 E75 V76 V77 T136 F170V70-P73 HydrophobicContact CG1-CB 4.3Å; P73-E75 PolarHBondContact O-N 2.88Å; P73-V76 PolarHBondContact O-N 2.97Å; P73-V77 WeakPolarHBondContact O-CG2 3.49Å; P73-V77 PolarHBondContact O-N 3.08Å; P73-V77 VanDerWaalsContact O-N 3.09Å; P73-T136 HydrophobicContact CB-CG2 4.05Å; P73-T136 HydrophobicContact CG-CG2 4.03Å; P73-F170 HydrophobicContact CB-CB 3.88Å; P73-F170 HydrophobicContact CB-CD2 3.65Å; P73-F170 HydrophobicContact CB-CE2 4.34Å; P73-F170 HydrophobicContact CB-CG 3.76Å
74D97.4Very high98Very high126 Ų12640 Ų4067%0.67420%0.204SC*.Hα-helixtrans-67.3-38.9-177-63.1-37.7000112.3N72 V76 V77 V78N72-D74 PolarHBondContact O-N 2.88Å; D74-V76 VanDerWaalsContact C-N 3.32Å; D74-V76 PolarHBondContact O-N 3.3Å; D74-V77 PolarHBondContact O-N 3.05Å; D74-V78 WeakPolarHBondContact O-CB 3.4Å; D74-V78 WeakPolarHBondContact O-CG2 3.38Å; D74-V78 PolarHBondContact O-N 3.15Å
75E97.6Very high98Very high82 Ų8238.3 Ų38.338%0.38320%0.197SC..Hα-helixtrans-63.1-41.1177.6-163.2-161.9160.400111N72 P73 N79 S81N72-E75 HydrophobicContact CB-CB 4.17Å; N72-E75 PolarHBondContact ND2-OE2 2.7Å; N72-E75 PolarHBondContact O-N 2.83Å; P73-E75 PolarHBondContact O-N 2.88Å; E75-N79 WeakPolarHBondContact O-CA 3.44Å; E75-N79 VanDerWaalsContact O-CB 3.3Å; E75-N79 WeakPolarHBondContact O-CB 3.15Å; E75-N79 PolarHBondContact O-N 3.29Å; E75-S81 VanDerWaalsContact C-OG 3.29Å; E75-S81 WeakPolarHBondContact CG-OG 3.23Å; E75-S81 PolarHBondContact O-OG 3.29Å; E75-S81 VanDerWaalsContact OE1-CB 3.26Å; E75-S81 WeakPolarHBondContact OE1-CB 3.39Å
76V97.6Very high98Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-65.3-45.1177.7176.60000110.3N72 P73 D74 S80 S81 I83 M169 F170N72-V76 WeakPolarHBondContact O-CG2 3.29Å; N72-V76 PolarHBondContact O-N 3.14Å; P73-V76 PolarHBondContact O-N 2.97Å; D74-V76 VanDerWaalsContact C-N 3.32Å; D74-V76 PolarHBondContact O-N 3.3Å; V76-S80 WeakPolarHBondContact O-CA 3.3Å; V76-S80 PolarHBondContact O-N 3.43Å; V76-S81 WeakPolarHBondContact CA-OG 3.49Å; V76-S81 PolarHBondContact N-OG 3.08Å; V76-I83 HydrophobicContact CG1-CD1 4.45Å; V76-I83 HydrophobicContact CG1-CG1 3.98Å; V76-I83 HydrophobicContact CG2-CB 4.36Å; V76-I83 HydrophobicContact CG2-CG1 3.9Å; V76-M169 HydrophobicContact CG1-CE 4.03Å; V76-M169 HydrophobicContact CG1-SD 4.41Å; V76-F170 HydrophobicContact CB-CE2 3.86Å; V76-F170 HydrophobicContact CB-CZ 4.16Å; V76-F170 HydrophobicContact CG1-CE2 3.85Å; V76-F170 HydrophobicContact CG1-CZ 3.9Å
77V95.7Very high97.9Very high25 Ų2546.1 Ų46.115%0.15223%0.233CC..Hα-helixtrans-65.5-39.8-179173.90000112.2P73 D74 M169 F170 N404P73-V77 WeakPolarHBondContact O-CG2 3.49Å; P73-V77 PolarHBondContact O-N 3.08Å; P73-V77 VanDerWaalsContact O-N 3.09Å; D74-V77 PolarHBondContact O-N 3.05Å; V77-M169 HydrophobicContact CG2-CB 3.68Å; V77-M169 HydrophobicContact CG2-CG 4.25Å; V77-M169 HydrophobicContact CG2-SD 3.85Å; V77-F170 HydrophobicContact CG2-CD2 3.77Å; V77-F170 HydrophobicContact CG2-CE2 3.93Å; V77-N404 VanDerWaalsContact O-CB 3.24Å; V77-N404 WeakPolarHBondContact O-CB 3.27Å
78V95.2Very high97.9Very high89 Ų8949.4 Ų49.454%0.53925%0.245SC..Hα-helixtrans-85.9-47.4-175.6179.30000111.7D74D74-V78 WeakPolarHBondContact O-CB 3.4Å; D74-V78 WeakPolarHBondContact O-CG2 3.38Å; D74-V78 PolarHBondContact O-N 3.15Å
79N96.3Very high97.9Very high93 Ų9350.3 Ų50.350%0.49725%0.254SS..Hα-helixtrans-102.4-10.7-168.7-62.7-29000113.6E75 S81E75-N79 WeakPolarHBondContact O-CA 3.44Å; E75-N79 VanDerWaalsContact O-CB 3.3Å; E75-N79 WeakPolarHBondContact O-CB 3.15Å; E75-N79 PolarHBondContact O-N 3.29Å; N79-S81 PolarHBondContact O-N 3.18Å
80S96.9Very high97.9Very high5 Ų551 Ų514%0.03526%0.26CS..  trans55.942.2-168.2-174.90000111.5V76 K406 R407 Y409V76-S80 WeakPolarHBondContact O-CA 3.3Å; V76-S80 PolarHBondContact O-N 3.43Å; S80-K406 PolarHBondContact OG-N 2.96Å; S80-R407 PolarHBondContact O-NH2 2.9Å; S80-Y409 VanDerWaalsContact C-OH 3.22Å; S80-Y409 PolarHBondContact O-OH 2.68Å; S80-Y409 PolarHBondContact OG-OH 2.84Å
81S97.9Very high97.9Very high15 Ų1550.8 Ų50.811%0.10526%0.259CS..  trans-70.4173.2174.765.60000111.7E75 V76 N79 Y409E75-S81 VanDerWaalsContact C-OG 3.29Å; E75-S81 WeakPolarHBondContact CG-OG 3.23Å; E75-S81 PolarHBondContact O-OG 3.29Å; E75-S81 VanDerWaalsContact OE1-CB 3.26Å; E75-S81 WeakPolarHBondContact OE1-CB 3.39Å; V76-S81 WeakPolarHBondContact CA-OG 3.49Å; V76-S81 PolarHBondContact N-OG 3.08Å; N79-S81 PolarHBondContact O-N 3.18Å; S81-Y409 PolarHBondContact O-OH 3.41Å
82K98.3Very high97.9Very high73 Ų7346 Ų4632%0.31724%0.236SC..  trans-65.8145.4170.7-64.4-172.4178.5-156.10110.1N72 K84 E355 P356N72-K82 PolarHBondContact ND2-O 3.12Å; K82-K84 PolarHBondContact O-N 2.97Å; K82-E355 WeakPolarHBondContact CD-O 3.33Å; K82-E355 VanDerWaalsContact CE-O 3.22Å; K82-E355 WeakPolarHBondContact CE-O 3.49Å; K82-E355 WeakPolarHBondContact CE-OE1 3.33Å; K82-E355 PolarHBondContact NZ-O 2.95Å; K82-E355 IonicContact NZ-OE1 3.93Å; K82-E355 PolarHBondContact NZ-OE1 3.3Å; K82-P356 VanDerWaalsContact CA-O 3.3Å; K82-P356 WeakPolarHBondContact CA-O 3.36Å; K82-P356 WeakPolarHBondContact CB-O 3.39Å
83I98.6Very high97.9Very high0 Ų045.3 Ų45.30%023%0.232CC..EExtended strand (participates in β ladder)trans-83.7113.5178.1-51.9179.7000108V70 V76 V85 F170 P356 I357 E358 Y409 V411V70-I83 HydrophobicContact CG1-CG2 3.96Å; V70-I83 HydrophobicContact CG2-CG2 4.12Å; V76-I83 HydrophobicContact CG1-CD1 4.45Å; V76-I83 HydrophobicContact CG1-CG1 3.98Å; V76-I83 HydrophobicContact CG2-CB 4.36Å; V76-I83 HydrophobicContact CG2-CG1 3.9Å; I83-V85 HydrophobicContact CG2-CG1 3.89Å; I83-F170 HydrophobicContact CD1-CZ 4.49Å; I83-P356 PolarHBondContact N-O 2.83Å; I83-I357 HydrophobicContact CB-CD1 3.91Å; I83-I357 HydrophobicContact CD1-CD1 3.95Å; I83-I357 HydrophobicContact CG1-CD1 4.16Å; I83-I357 WeakPolarHBondContact O-CA 3.29Å; I83-E358 PolarHBondContact O-N 3.3Å; I83-Y409 HydrophobicContact CD1-CD1 3.73Å; I83-Y409 HydrophobicContact CD1-CE1 4.37Å; I83-Y409 HydrophobicContact CD1-CG 4.01Å; I83-Y409 HydrophobicContact CG1-CD1 3.9Å; I83-Y409 HydrophobicContact CG1-CE1 4.09Å; I83-V411 HydrophobicContact CD1-CB 4.35Å; I83-V411 HydrophobicContact CD1-CG1 3.97Å; I83-V411 HydrophobicContact CD1-CG2 3.63Å
84K98.8Very high97.9Very high80 Ų8048.3 Ų48.335%0.34824%0.24SC..EExtended strand (participates in β ladder)trans-84.7121.2173.6-62.9179.8-179.6179.80108.6Q71 N72 K82 E358Q71-K84 HydrophobicContact CB-CB 4.08Å; Q71-K84 PolarHBondContact N-O 2.93Å; N72-K84 HydrophobicContact CB-CD 4.45Å; N72-K84 WeakPolarHBondContact OD1-CB 3.47Å; N72-K84 PolarHBondContact OD1-N 3.38Å; K82-K84 PolarHBondContact O-N 2.97Å; K84-E358 WeakPolarHBondContact CA-O 3.36Å; K84-E358 VanDerWaalsContact CE-OE2 3.23Å; K84-E358 WeakPolarHBondContact CE-OE2 3.22Å; K84-E358 HydrophobicContact CG-CB 4.07Å; K84-E358 HydrophobicContact CG-CG 4.38Å
85V98.8Very high97.9Very high11 Ų1142.4 Ų42.47%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-119.8147.9179.4-62.90000111.2F68 D69 V70 I83 I357 E358 L360F68-V85 HydrophobicContact CB-CB 4.04Å; F68-V85 HydrophobicContact CB-CG1 4.14Å; F68-V85 HydrophobicContact CB-CG2 4.49Å; F68-V85 HydrophobicContact CD1-CB 4.01Å; F68-V85 HydrophobicContact CD1-CG2 3.65Å; F68-V85 HydrophobicContact CE1-CG2 4.3Å; F68-V85 HydrophobicContact CG-CB 4.45Å; F68-V85 HydrophobicContact CG-CG2 4.4Å; D69-V85 CarbonylContact O-C 3.28Å; D69-V85 WeakPolarHBondContact O-CA 3Å; V70-V85 HydrophobicContact CG2-CG1 4.37Å; I83-V85 HydrophobicContact CG2-CG1 3.89Å; V85-I357 HydrophobicContact CG1-CG2 4.37Å; V85-I357 HydrophobicContact CG2-CG2 3.83Å; V85-E358 WeakPolarHBondContact CG2-O 3.44Å; V85-E358 PolarHBondContact N-O 3Å; V85-L360 HydrophobicContact CG2-CD2 4.07Å
86K98.6Very high97.8Very high129 Ų12942.5 Ų42.556%0.56121%0.205SC*.EExtended strand (participates in β ladder)trans-123.2122168.1-173.7177.8-179.6-179.90108.5D69 Q71D69-K86 WeakPolarHBondContact CB-O 3.24Å; D69-K86 PolarHBondContact N-O 2.87Å; D69-K86 PolarHBondContact O-N 2.97Å; Q71-K86 HydrophobicContact CG-CB 4.16Å
87Q98.2Very high97.7Very high64 Ų6445.8 Ų45.830%0.29922%0.218SC..EExtended strand (participates in β ladder)trans-70.5139.7175.573166.713.200111.2I67 F68 H345I67-Q87 CarbonylContact O-C 3.28Å; I67-Q87 WeakPolarHBondContact O-CA 3.47Å; F68-Q87 HydrophobicContact CD1-CB 4.29Å; F68-Q87 HydrophobicContact CE1-CB 4.19Å; Q87-H345 PolarHBondContact OE1-CE1 3.33Å; Q87-H345 PolarHBondContact OE1-NE2 2.74Å
88R98.7Very high97.8Very high70 Ų7047.4 Ų47.426%0.26423%0.225SC..EExtended strand (participates in β ladder)trans-133.9122.4174.6-74.117561.5-156.5-6.8109.8W66 I67 D69 D133 T134 F135W66-R88 WeakPolarHBondContact CA-O 3.45Å; I67-R88 PolarHBondContact N-O 3.48Å; I67-R88 PolarHBondContact O-N 3.15Å; D69-R88 WeakPolarHBondContact OD2-CD 3.36Å; D69-R88 IonicContact OD2-CZ 3.45Å; D69-R88 IonicContact OD2-NH1 2.63Å; D69-R88 PolarHBondContact OD2-NH1 2.95Å; R88-D133 IonicContact NH2-OD2 3.24Å; R88-D133 PolarHBondContact NH2-OD2 3.48Å; R88-T134 PolarHBondContact NH1-O 3.1Å; R88-F135 HydrophobicContact CB-CD1 4.47Å; R88-F135 HydrophobicContact CB-CE1 3.78Å; R88-F135 VanDerWaalsContact CZ-CE1 3.47Å
89G98.1Very high97.9Very high19 Ų1944.7 Ų44.720%0.19621%0.213CC..EExtended strand (participates in β ladder)trans169-175.2-177.900000111.3
90P98.6Very high97.9Very high35 Ų3541.2 Ų41.223%0.22719%0.193CC..EExtended strand (participates in β ladder)cis-76147.3-0.528.5-32.7000113Q64 F65 W66 S127 V128Q64-P90 HydrophobicContact CB-CB 3.91Å; Q64-P90 HydrophobicContact CG-CB 4.33Å; F65-P90 CarbonylContact O-C 3.59Å; F65-P90 WeakPolarHBondContact O-CA 3.44Å; W66-P90 HydrophobicContact CD2-CB 4.45Å; W66-P90 HydrophobicContact CH2-CB 3.81Å; W66-P90 HydrophobicContact CZ2-CB 3.58Å; W66-P90 HydrophobicContact CZ2-CG 4.04Å; W66-P90 HydrophobicContact CZ3-CB 4.33Å; P90-S127 CarbonylContact O-C 3.59Å; P90-S127 WeakPolarHBondContact O-CA 3.18Å; P90-V128 PolarHBondContact O-N 3.49Å
91Y98.9Very high97.9Very high1 Ų145.8 Ų45.80%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-105.6115.7156.2-62.1-88.3000108.4Q64 F65 F122 V128 T130 D133 F135 L175Q64-Y91 CarbonylContact C-O 3.44Å; Q64-Y91 WeakPolarHBondContact CA-O 3.29Å; F65-Y91 PolarHBondContact N-O 2.93Å; F65-Y91 PolarHBondContact O-N 2.92Å; Y91-F122 HydrophobicContact CD1-CE2 4.42Å; Y91-F122 HydrophobicContact CD1-CZ 4.49Å; Y91-V128 HydrophobicContact CE1-CG1 4.2Å; Y91-V128 HydrophobicContact CE2-CG1 4.11Å; Y91-T130 WeakPolarHBondContact CE1-O 3.28Å; Y91-D133 HydrophobicContact CE1-CB 4.13Å; Y91-D133 WeakPolarHBondContact OH-CB 3.29Å; Y91-D133 PolarHBondContact OH-OD2 2.97Å; Y91-F135 HydrophobicContact CE2-CE1 4.11Å; Y91-F135 AromaticContact CE2-CZ 3.52Å; Y91-F135 HydrophobicContact CE2-CZ 3.52Å; Y91-F135 AromaticContact CZ-CZ 3.58Å; Y91-F135 VanDerWaalsContact OH-CZ 3.3Å; Y91-F135 WeakPolarHBondContact OH-CZ 3.17Å; Y91-L175 HydrophobicContact CD1-CD1 4.45Å; Y91-L175 HydrophobicContact CD1-CD2 3.42Å; Y91-L175 VanDerWaalsContact CD1-CD2 3.42Å; Y91-L175 HydrophobicContact CD1-CG 4.46Å; Y91-L175 HydrophobicContact CD2-CD1 3.78Å; Y91-L175 HydrophobicContact CD2-CD2 4.18Å; Y91-L175 HydrophobicContact CE1-CD2 4.15Å; Y91-L175 HydrophobicContact CE2-CD1 4.24Å; Y91-L175 HydrophobicContact CG-CD1 3.91Å; Y91-L175 HydrophobicContact CG-CD2 3.43Å; Y91-L175 VanDerWaalsContact CG-CD2 3.43Å; Y91-L175 HydrophobicContact CG-CG 4.29Å
92T98.9Very high97.9Very high1 Ų150.9 Ų50.91%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-104.6130.9-164.9-59.30000110.9Y62 Q64 F122 E123 L126 S127Y62-T92 HydrophobicContact CD1-CG2 3.89Å; Y62-T92 HydrophobicContact CG-CG2 4.26Å; Q64-T92 HydrophobicContact CG-CG2 4.09Å; T92-F122 WeakPolarHBondContact O-CD2 3.28Å; T92-E123 HydrophobicContact CG2-CB 4.28Å; T92-E123 PolarHBondContact O-N 2.93Å; T92-L126 WeakPolarHBondContact CB-O 3.32Å; T92-L126 HydrophobicContact CG2-CB 3.83Å; T92-L126 HydrophobicContact CG2-CD1 4.12Å; T92-L126 PolarHBondContact OG1-O 3.16Å; T92-S127 PolarHBondContact N-OG 2.98Å
93Y98.8Very high97.9Very high3 Ų350.1 Ų50.11%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-123.4137172.2-68.5-102.5000110.2Y62 R63 F65 A120 I121 F122 E131 L175 L179 W180Y62-Y93 CarbonylContact C-O 3.48Å; Y62-Y93 WeakPolarHBondContact CA-O 3.26Å; R63-Y93 PolarHBondContact N-O 2.93Å; R63-Y93 PolarHBondContact O-N 3.43Å; F65-Y93 AromaticContact CD2-CD2 3.71Å; F65-Y93 HydrophobicContact CD2-CD2 3.71Å; F65-Y93 AromaticContact CD2-CE2 3.9Å; F65-Y93 HydrophobicContact CD2-CE2 3.9Å; F65-Y93 AromaticContact CE2-CD2 3.56Å; F65-Y93 HydrophobicContact CE2-CD2 3.56Å; F65-Y93 AromaticContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CE2 3.96Å; F65-Y93 HydrophobicContact CE2-CG 4.35Å; Y93-A120 HydrophobicContact CD1-CB 3.94Å; Y93-A120 HydrophobicContact CG-CB 4.39Å; Y93-I121 CarbonylContact C-O 3.5Å; Y93-I121 WeakPolarHBondContact CA-O 3.48Å; Y93-F122 VanDerWaalsContact CD1-CA 3.47Å; Y93-F122 HydrophobicContact CD1-CB 3.86Å; Y93-F122 HydrophobicContact CD1-CD2 4.19Å; Y93-F122 HydrophobicContact CD2-CD2 4.08Å; Y93-F122 HydrophobicContact CE1-CB 3.54Å; Y93-F122 AromaticContact CE1-CD2 3.77Å; Y93-F122 HydrophobicContact CE1-CD2 3.77Å; Y93-F122 HydrophobicContact CE1-CG 4.07Å; Y93-F122 AromaticContact CE2-CD2 3.67Å; Y93-F122 HydrophobicContact CE2-CD2 3.67Å; Y93-F122 HydrophobicContact CE2-CE2 4.21Å; Y93-F122 HydrophobicContact CG-CD2 4.34Å; Y93-F122 AromaticContact CZ-CD2 3.49Å; Y93-F122 VanDerWaalsContact CZ-CD2 3.49Å; Y93-E131 WeakPolarHBondContact CE1-OE1 3Å; Y93-E131 WeakPolarHBondContact OH-CG 3.45Å; Y93-E131 PolarHBondContact OH-OE1 3.38Å; Y93-L175 HydrophobicContact CE2-CD2 4.34Å; Y93-L179 HydrophobicContact CE2-CD1 3.74Å; Y93-W180 AromaticContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD2-CZ2 4.28Å; Y93-W180 AromaticContact CE1-CE2 3.84Å; Y93-W180 AromaticContact CE1-CZ2 3.54Å; Y93-W180 HydrophobicContact CE1-CZ2 3.54Å; Y93-W180 AromaticContact CE1-NE1 3.58Å; Y93-W180 HydrophobicContact CE2-CZ2 4.07Å; Y93-W180 HydrophobicContact CG-CZ2 4.12Å; Y93-W180 AromaticContact CZ-CE2 3.93Å; Y93-W180 AromaticContact CZ-CZ2 3.71Å; Y93-W180 AromaticContact CZ-NE1 3.52Å; Y93-W180 PolarHBondContact OH-NE1 3.27Å
94R98.4Very high97.8Very high94 Ų9454.3 Ų54.336%0.35527%0.265SS..EExtended strand (participates in β ladder)trans-75.9123.6164.3-174.3178.6-180-169.84.1109.2T60 Y62 Y97 A120 I121 E123T60-R94 HydrophobicContact CG2-CG 4.06Å; Y62-R94 HydrophobicContact CD1-CB 4.22Å; Y62-R94 HydrophobicContact CE1-CB 4.16Å; Y62-R94 HydrophobicContact CE1-CG 4.42Å; R94-Y97 HydrophobicContact CG-CD1 4.44Å; R94-A120 WeakPolarHBondContact O-CA 3.21Å; R94-I121 HydrophobicContact CB-CB 4.47Å; R94-I121 PolarHBondContact N-O 3.37Å; R94-I121 PolarHBondContact O-N 2.93Å; R94-E123 HydrophobicContact CB-CG 4.2Å
95V97.9Very high97.7Very high1 Ų153.8 Ų53.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-126.8171.2-177.8-61.50000110.7V61 R63 Y97 G119 A120 E418V61-V95 HydrophobicContact CB-CG2 4.28Å; V61-V95 HydrophobicContact CG1-CG2 3.76Å; V61-V95 PolarHBondContact O-N 3.05Å; V61-V95 VanDerWaalsContact O-O 3.13Å; R63-V95 HydrophobicContact CB-CG1 3.88Å; R63-V95 HydrophobicContact CB-CG2 3.87Å; V95-Y97 PolarHBondContact O-N 2.86Å; V95-G119 WeakPolarHBondContact CA-O 3.29Å; V95-A120 HydrophobicContact CG1-CB 4.09Å; V95-E418 HydrophobicContact CG2-CG 4.43Å
96R95.5Very high97.5Very high84 Ų8455.2 Ų55.232%0.31727%0.271SS..SBendtrans52.327.9178.2-58.1-172.3179.2-86-4114.7V61 L98 E418V61-R96 HydrophobicContact CB-CB 4.25Å; V61-R96 HydrophobicContact CG2-CB 4.32Å; R96-L98 VanDerWaalsContact C-N 3.35Å; R96-E418 IonicContact CZ-OE1 2.64Å; R96-E418 IonicContact NE-OE1 2.73Å; R96-E418 PolarHBondContact NE-OE1 3.28Å; R96-E418 IonicContact NH2-OE1 2.68Å; R96-E418 PolarHBondContact NH2-OE1 2.74Å
97Y95.4Very high97.3Very high69 Ų6954.4 Ų54.427%0.27128%0.278SS..  trans-83.8-13.7177.963.3-93.8000113R94 V95 G119 I121R94-Y97 HydrophobicContact CG-CD1 4.44Å; V95-Y97 PolarHBondContact O-N 2.86Å; Y97-G119 WeakPolarHBondContact CE1-O 3.49Å; Y97-I121 HydrophobicContact CD1-CD1 4.16Å; Y97-I121 HydrophobicContact CD2-CD1 4.44Å; Y97-I121 HydrophobicContact CE1-CD1 3.64Å; Y97-I121 HydrophobicContact CE1-CG1 3.7Å; Y97-I121 HydrophobicContact CE2-CD1 3.95Å
98L96.4Very high97Very high59 Ų5957.4 Ų57.431%0.30930%0.301SS..SBendtrans-80.8138.9176.1-62.5172.7000110.3R96 Q116 P117R96-L98 VanDerWaalsContact C-N 3.35Å; L98-Q116 PolarHBondContact O-NE2 2.9Å; L98-P117 HydrophobicContact CB-CB 4Å; L98-P117 HydrophobicContact CB-CG 4.48Å; L98-P117 HydrophobicContact CD1-CB 3.69Å; L98-P117 HydrophobicContact CG-CB 4.48Å
99A97.2Very high96.7Very high33 Ų3357.9 Ų57.927%0.27331%0.309SS..PPolyproline II helixtrans-69155.2174.400000110.6V55 K56 P117V55-A99 HydrophobicContact CG1-CB 4.26Å; V55-A99 CarbonylContact O-C 3.56Å; V55-A99 WeakPolarHBondContact O-CA 3.31Å; K56-A99 HydrophobicContact CB-CB 4.03Å; K56-A99 HydrophobicContact CD-CB 4.37Å; K56-A99 HydrophobicContact CG-CB 4.3Å; A99-P117 VanDerWaalsContact O-CD 3.29Å; A99-P117 WeakPolarHBondContact O-CD 3.42Å
100K97.6Very high96.6Very high20 Ų2058 Ų589%0.08731%0.306CS..PPolyproline II helixtrans-59.5141.2167.2-70.1178.7170.269.70109.7W54 V55 I103 F114 V115W54-K100 HydrophobicContact CD2-CD 3.8Å; W54-K100 HydrophobicContact CE3-CD 4.01Å; W54-K100 HydrophobicContact CG-CD 4.47Å; W54-K100 HydrophobicContact CH2-CD 3.92Å; W54-K100 HydrophobicContact CZ2-CD 3.72Å; W54-K100 HydrophobicContact CZ3-CD 4.05Å; W54-K100 WeakPolarHBondContact O-CD 3.27Å; W54-K100 WeakPolarHBondContact O-CE 3.49Å; W54-K100 PolarHBondContact O-NZ 3.03Å; V55-K100 PolarHBondContact O-N 3.46Å; K100-I103 HydrophobicContact CB-CD1 4.13Å; K100-I103 HydrophobicContact CB-CG1 4.32Å; K100-F114 HydrophobicContact CB-CB 4.33Å; K100-F114 HydrophobicContact CB-CD2 4.01Å; K100-F114 HydrophobicContact CB-CG 4.45Å; K100-F114 HydrophobicContact CD-CB 4.44Å; K100-F114 HydrophobicContact CD-CD1 4.38Å; K100-F114 HydrophobicContact CD-CD2 3.39Å; K100-F114 HydrophobicContact CD-CE2 3.6Å; K100-F114 HydrophobicContact CD-CG 3.82Å; K100-F114 HydrophobicContact CD-CZ 4.15Å; K100-F114 VanDerWaalsContact CE-CZ 3.47Å; K100-F114 HydrophobicContact CG-CD2 3.6Å; K100-F114 HydrophobicContact CG-CE2 3.97Å; K100-F114 HydrophobicContact CG-CG 4.34Å; K100-V115 WeakPolarHBondContact CA-O 3.38Å
101E97.2Very high96.6Very high100 Ų10056.3 Ų56.347%0.46730%0.296SS..EExtended strand (participates in β ladder)trans-117.9166.7-177.8-72.7177.6-178.100111.3I103 F114 V115 P117E101-I103 VanDerWaalsContact C-N 3.26Å; E101-I103 PolarHBondContact O-N 3.06Å; E101-F114 WeakPolarHBondContact O-CA 3.45Å; E101-V115 HydrophobicContact CB-CG2 3.78Å; E101-V115 PolarHBondContact N-O 3.31Å; E101-V115 PolarHBondContact O-N 3.15Å; E101-P117 HydrophobicContact CB-CG 4.14Å; E101-P117 HydrophobicContact CG-CG 3.66Å
102N96.9Very high96.6Very high122 Ų12256.3 Ų56.365%0.65230%0.295SS*.EExtended strand (participates in β ladder)trans5145.5179.6-60.1-6.7000112.7T104 V115N102-T104 PolarHBondContact O-N 2.87Å; N102-V115 HydrophobicContact CB-CG2 4.36Å
103I97.6Very high96.5Very high58 Ų5857.5 Ų57.530%0.29730%0.304SS..EExtended strand (participates in β ladder)trans-75.1117.7-178.2-62.4160.2000109.4F51 W54 V55 K100 E101 V112 S113 F114F51-I103 HydrophobicContact CE2-CG2 4.28Å; F51-I103 HydrophobicContact CZ-CG2 4.13Å; W54-I103 HydrophobicContact CH2-CG1 4.47Å; W54-I103 HydrophobicContact CH2-CG2 4.43Å; W54-I103 HydrophobicContact CZ3-CD1 4.16Å; W54-I103 HydrophobicContact CZ3-CG1 4.17Å; W54-I103 HydrophobicContact CZ3-CG2 4.09Å; V55-I103 HydrophobicContact CB-CD1 4.3Å; V55-I103 HydrophobicContact CG1-CD1 3.88Å; V55-I103 HydrophobicContact CG2-CD1 3.61Å; K100-I103 HydrophobicContact CB-CD1 4.13Å; K100-I103 HydrophobicContact CB-CG1 4.32Å; E101-I103 VanDerWaalsContact C-N 3.26Å; E101-I103 PolarHBondContact O-N 3.06Å; I103-V112 HydrophobicContact CG2-CG2 3.68Å; I103-S113 VanDerWaalsContact CA-O 3.23Å; I103-S113 WeakPolarHBondContact CA-O 3.46Å; I103-F114 HydrophobicContact CG1-CB 4.11Å
104T97.1Very high96.5Very high88 Ų8857.5 Ų57.554%0.5430%0.304SS..EExtended strand (participates in β ladder)trans-131.2120.4-180-55.40000110N102 V112 S113N102-T104 PolarHBondContact O-N 2.87Å; T104-V112 CarbonylContact O-C 3.39Å; T104-V112 WeakPolarHBondContact O-CA 3.23Å; T104-S113 PolarHBondContact N-O 3.44Å; T104-S113 PolarHBondContact O-N 3.34Å
105Q96.6Very high96.5Very high68 Ų6853.8 Ų53.832%0.31829%0.292SS..EExtended strand (participates in β ladder)trans-81.2139173.8-67.4-77.5-3.700110.3L44 T111 V112 N216L44-Q105 PolarHBondContact O-NE2 2.86Å; Q105-T111 PolarHBondContact OE1-O 2.87Å; Q105-V112 HydrophobicContact CG-CG2 4.45Å; Q105-N216 PolarHBondContact OE1-ND2 3.43Å
106D95.7Very high96.5Very high42 Ų4254.8 Ų54.823%0.22530%0.296CS..EExtended strand (participates in β ladder)trans-119.9102.1173.7-178.8-15.4000108V108 D109 S110 T111 K213D106-V108 VanDerWaalsContact C-N 3.29Å; D106-V108 PolarHBondContact O-N 2.94Å; D106-V108 PolarHBondContact OD1-N 3.33Å; D106-V108 VanDerWaalsContact OD1-N 3.11Å; D106-D109 PolarHBondContact OD1-N 2.95Å; D106-S110 WeakPolarHBondContact O-CA 3.16Å; D106-S110 PolarHBondContact O-N 3.35Å; D106-S110 VanDerWaalsContact O-N 3.08Å; D106-T111 WeakPolarHBondContact CB-OG1 3.4Å; D106-T111 PolarHBondContact N-O 2.89Å; D106-T111 PolarHBondContact O-N 3.33Å; D106-K213 IonicContact OD2-NZ 2.74Å; D106-K213 PolarHBondContact OD2-NZ 2.64Å
107P92.9Very high96.6Very high111 Ų11151.2 Ų51.272%0.72128%0.284SS*.THydrogen-bonded Turntrans-74-19.2-175.729.7-34.5000113
108V93.4Very high96.7Very high127 Ų12749.5 Ų49.577%0.7728%0.279SS*.THydrogen-bonded Turntrans-74.1-47.8-179.2179.10000109.5D106D106-V108 VanDerWaalsContact C-N 3.29Å; D106-V108 PolarHBondContact O-N 2.94Å; D106-V108 PolarHBondContact OD1-N 3.33Å; D106-V108 VanDerWaalsContact OD1-N 3.11Å
109D91.8Very high96.7Very high81 Ų8146.8 Ų46.843%0.43327%0.266SS..THydrogen-bonded Turntrans-90.3-4.1-178.4-68.2-17.2000113.2D106 T111 K213D106-D109 PolarHBondContact OD1-N 2.95Å; D109-T111 VanDerWaalsContact C-N 3.35Å; D109-T111 HydrophobicContact CB-CG2 4.07Å; D109-T111 PolarHBondContact O-N 3.03Å; D109-K213 IonicContact OD2-NZ 2.89Å; D109-K213 PolarHBondContact OD2-NZ 2.83Å
110S96.7Very high96.7Very high20 Ų2045.8 Ų45.814%0.1426%0.258CS..THydrogen-bonded Turntrans53.649.8-171.2-620000112.3D106 F215 N216 D219D106-S110 WeakPolarHBondContact O-CA 3.16Å; D106-S110 PolarHBondContact O-N 3.35Å; D106-S110 VanDerWaalsContact O-N 3.08Å; S110-F215 WeakPolarHBondContact O-CA 3.37Å; S110-N216 VanDerWaalsContact C-CG 3.48Å; S110-N216 VanDerWaalsContact O-CG 3.28Å; S110-N216 PolarHBondContact O-N 2.87Å; S110-N216 PolarHBondContact O-OD1 3.17Å; S110-N216 VanDerWaalsContact O-OD1 3.05Å; S110-D219 WeakPolarHBondContact CB-OD1 3.16Å
111T97.8Very high96.8Very high1 Ų148.4 Ų48.41%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-128.6162.1-178.256.20000112.1Q105 D106 D109 K213 V214 F215 D228Q105-T111 PolarHBondContact OE1-O 2.87Å; D106-T111 WeakPolarHBondContact CB-OG1 3.4Å; D106-T111 PolarHBondContact N-O 2.89Å; D106-T111 PolarHBondContact O-N 3.33Å; D109-T111 VanDerWaalsContact C-N 3.35Å; D109-T111 HydrophobicContact CB-CG2 4.07Å; D109-T111 PolarHBondContact O-N 3.03Å; T111-K213 HydrophobicContact CG2-CG 4.21Å; T111-K213 WeakPolarHBondContact OG1-CE 3.27Å; T111-V214 CarbonylContact C-O 2.94Å; T111-V214 WeakPolarHBondContact CA-O 3.25Å; T111-V214 VanDerWaalsContact CB-O 3.23Å; T111-V214 WeakPolarHBondContact CB-O 3.46Å; T111-F215 HydrophobicContact CG2-CD1 3.69Å; T111-F215 HydrophobicContact CG2-CE1 3.99Å; T111-F215 HydrophobicContact CG2-CG 4.34Å; T111-D228 HydrophobicContact CG2-CB 4.43Å
112V98.1Very high96.9Very high0 Ų045.3 Ų45.30%026%0.257CS..EExtended strand (participates in β ladder)trans-129.7131.6171.561.40000108.9L44 W54 I103 T104 Q105 V214 N216L44-V112 HydrophobicContact CB-CG1 4.22Å; L44-V112 HydrophobicContact CD1-CG1 4.12Å; W54-V112 HydrophobicContact CH2-CG1 3.89Å; W54-V112 HydrophobicContact CH2-CG2 3.77Å; W54-V112 HydrophobicContact CZ2-CG1 3.98Å; W54-V112 HydrophobicContact CZ3-CG2 4.2Å; I103-V112 HydrophobicContact CG2-CG2 3.68Å; T104-V112 CarbonylContact O-C 3.39Å; T104-V112 WeakPolarHBondContact O-CA 3.23Å; Q105-V112 HydrophobicContact CG-CG2 4.45Å; V112-V214 HydrophobicContact CG1-CG2 3.5Å; V112-V214 VanDerWaalsContact CG1-CG2 3.5Å; V112-V214 PolarHBondContact N-O 3.39Å; V112-V214 PolarHBondContact O-N 3.25Å; V112-N216 HydrophobicContact CG1-CB 4.37Å
113S98.3Very high96.9Very high26 Ų2641.6 Ų41.618%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-102.3147177.5-60.60000111.1I103 T104 Y212I103-S113 VanDerWaalsContact CA-O 3.23Å; I103-S113 WeakPolarHBondContact CA-O 3.46Å; T104-S113 PolarHBondContact N-O 3.44Å; T104-S113 PolarHBondContact O-N 3.34Å; S113-Y212 CarbonylContact C-O 3.44Å; S113-Y212 WeakPolarHBondContact CA-O 3.06Å
114F98.3Very high97Very high3 Ų343 Ų431%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-159.1167.9176.471-80.1000112.6W54 K100 E101 I103 Q116 Y212 V214W54-F114 HydrophobicContact CH2-CB 3.96Å; W54-F114 AromaticContact CH2-CD1 3.62Å; W54-F114 HydrophobicContact CH2-CD1 3.62Å; W54-F114 HydrophobicContact CH2-CE1 4.3Å; W54-F114 AromaticContact CH2-CG 3.9Å; W54-F114 HydrophobicContact CH2-CG 3.9Å; W54-F114 HydrophobicContact CZ2-CB 4.42Å; W54-F114 AromaticContact CZ2-CD1 3.24Å; W54-F114 HydrophobicContact CZ2-CD1 3.24Å; W54-F114 AromaticContact CZ2-CE1 3.47Å; W54-F114 HydrophobicContact CZ2-CE1 3.47Å; W54-F114 VanDerWaalsContact CZ2-CE1 3.47Å; W54-F114 AromaticContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CZ 4.26Å; K100-F114 HydrophobicContact CB-CB 4.33Å; K100-F114 HydrophobicContact CB-CD2 4.01Å; K100-F114 HydrophobicContact CB-CG 4.45Å; K100-F114 HydrophobicContact CD-CB 4.44Å; K100-F114 HydrophobicContact CD-CD1 4.38Å; K100-F114 HydrophobicContact CD-CD2 3.39Å; K100-F114 HydrophobicContact CD-CE2 3.6Å; K100-F114 HydrophobicContact CD-CG 3.82Å; K100-F114 HydrophobicContact CD-CZ 4.15Å; K100-F114 VanDerWaalsContact CE-CZ 3.47Å; K100-F114 HydrophobicContact CG-CD2 3.6Å; K100-F114 HydrophobicContact CG-CE2 3.97Å; K100-F114 HydrophobicContact CG-CG 4.34Å; E101-F114 WeakPolarHBondContact O-CA 3.45Å; I103-F114 HydrophobicContact CG1-CB 4.11Å; F114-Q116 HydrophobicContact CE2-CB 4.23Å; F114-Y212 HydrophobicContact CE1-CG 4.11Å; F114-Y212 HydrophobicContact CE2-CD2 4.02Å; F114-Y212 HydrophobicContact CE2-CG 4.25Å; F114-Y212 HydrophobicContact CZ-CD1 4.46Å; F114-Y212 HydrophobicContact CZ-CD2 4.04Å; F114-Y212 AromaticContact CZ-CG 3.8Å; F114-Y212 HydrophobicContact CZ-CG 3.8Å; F114-Y212 PolarHBondContact N-O 3.49Å; F114-Y212 PolarHBondContact O-N 3.22Å; F114-V214 HydrophobicContact CE1-CG1 3.95Å; F114-V214 HydrophobicContact CE1-CG2 4.32Å
115V98.1Very high97Very high16 Ų1643.6 Ų43.610%0.09726%0.257CS..EExtended strand (participates in β ladder)trans-117.9150161.3-60.60000110.1K100 E101 N102 P117 A208 V211K100-V115 WeakPolarHBondContact CA-O 3.38Å; E101-V115 HydrophobicContact CB-CG2 3.78Å; E101-V115 PolarHBondContact N-O 3.31Å; E101-V115 PolarHBondContact O-N 3.15Å; N102-V115 HydrophobicContact CB-CG2 4.36Å; V115-P117 WeakPolarHBondContact O-CD 3.45Å; V115-A208 HydrophobicContact CB-CB 3.97Å; V115-A208 HydrophobicContact CG2-CB 4.02Å; V115-V211 HydrophobicContact CG1-CB 4.43Å; V115-V211 HydrophobicContact CG1-CG2 3.86Å
116Q97.4Very high97.1Very high22 Ų2244.2 Ų44.210%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-107.2103.6177-173.865.374.200109.3L98 F114 A208 D209L98-Q116 PolarHBondContact O-NE2 2.9Å; F114-Q116 HydrophobicContact CE2-CB 4.23Å; Q116-A208 CarbonylContact O-C 3.2Å; Q116-A208 WeakPolarHBondContact O-CA 3.34Å; Q116-D209 PolarHBondContact N-O 2.77Å; Q116-D209 PolarHBondContact O-N 2.99Å
117P97.8Very high97.2Very high9 Ų943.3 Ų43.36%0.05826%0.258CS..EExtended strand (participates in β ladder)trans-62.8143.4176.4-22.433.7000112.1L98 A99 E101 V115L98-P117 HydrophobicContact CB-CB 4Å; L98-P117 HydrophobicContact CB-CG 4.48Å; L98-P117 HydrophobicContact CD1-CB 3.69Å; L98-P117 HydrophobicContact CG-CB 4.48Å; A99-P117 VanDerWaalsContact O-CD 3.29Å; A99-P117 WeakPolarHBondContact O-CD 3.42Å; E101-P117 HydrophobicContact CB-CG 4.14Å; E101-P117 HydrophobicContact CG-CG 3.66Å; V115-P117 WeakPolarHBondContact O-CD 3.45Å
118N97.1Very high97.5Very high33 Ų3342.5 Ų42.518%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-102.6131.5178.2-69.1-49.9000110.4Y204 T207N118-Y204 HydrophobicContact CB-CD1 4.33Å; N118-Y204 HydrophobicContact CB-CD2 4.12Å; N118-Y204 HydrophobicContact CB-CE1 4.11Å; N118-Y204 HydrophobicContact CB-CE2 3.85Å; N118-Y204 HydrophobicContact CB-CG 4.32Å; N118-Y204 VanDerWaalsContact CB-O 3.23Å; N118-Y204 WeakPolarHBondContact CB-O 3.46Å; N118-T207 PolarHBondContact N-O 2.82Å; N118-T207 PolarHBondContact ND2-OG1 3.34Å
119G97.1Very high97.7Very high3 Ų337.3 Ų37.33%0.03122%0.224CC..  trans-156.2139.1175.200000110.5V95 Y97 N205V95-G119 WeakPolarHBondContact CA-O 3.29Å; Y97-G119 WeakPolarHBondContact CE1-O 3.49Å; G119-N205 WeakPolarHBondContact CA-OD1 3.23Å
120A98.1Very high98.1Very high12 Ų1237 Ų3710%0.09922%0.224CC..EExtended strand (participates in β ladder)trans-128.8127.6175.600000110.4Y93 R94 V95 W180 Y204 N205Y93-A120 HydrophobicContact CD1-CB 3.94Å; Y93-A120 HydrophobicContact CG-CB 4.39Å; R94-A120 WeakPolarHBondContact O-CA 3.21Å; V95-A120 HydrophobicContact CG1-CB 4.09Å; A120-W180 HydrophobicContact CB-CH2 3.55Å; A120-W180 HydrophobicContact CB-CZ2 3.84Å; A120-W180 HydrophobicContact CB-CZ3 4.29Å; A120-Y204 HydrophobicContact CB-CD1 3.97Å; A120-Y204 HydrophobicContact CB-CE1 3.85Å; A120-N205 PolarHBondContact N-OD1 2.97Å
121I98.4Very high98.1Very high75 Ų7538 Ų3839%0.38523%0.227SC..EExtended strand (participates in β ladder)trans-115.1122.3174.7-61.2168.8000107.5Y93 R94 Y97Y93-I121 CarbonylContact C-O 3.5Å; Y93-I121 WeakPolarHBondContact CA-O 3.48Å; R94-I121 HydrophobicContact CB-CB 4.47Å; R94-I121 PolarHBondContact N-O 3.37Å; R94-I121 PolarHBondContact O-N 2.93Å; Y97-I121 HydrophobicContact CD1-CD1 4.16Å; Y97-I121 HydrophobicContact CD2-CD1 4.44Å; Y97-I121 HydrophobicContact CE1-CD1 3.64Å; Y97-I121 HydrophobicContact CE1-CG1 3.7Å; Y97-I121 HydrophobicContact CE2-CD1 3.95Å
122F98.8Very high98.2Very high34 Ų3443.7 Ų43.715%0.14926%0.257CS..EExtended strand (participates in β ladder)trans-68.5138.6179.2-174.7-120.4000111Y91 T92 Y93 P124 S127 G129 E131Y91-F122 HydrophobicContact CD1-CE2 4.42Å; Y91-F122 HydrophobicContact CD1-CZ 4.49Å; T92-F122 WeakPolarHBondContact O-CD2 3.28Å; Y93-F122 VanDerWaalsContact CD1-CA 3.47Å; Y93-F122 HydrophobicContact CD1-CB 3.86Å; Y93-F122 HydrophobicContact CD1-CD2 4.19Å; Y93-F122 HydrophobicContact CD2-CD2 4.08Å; Y93-F122 HydrophobicContact CE1-CB 3.54Å; Y93-F122 AromaticContact CE1-CD2 3.77Å; Y93-F122 HydrophobicContact CE1-CD2 3.77Å; Y93-F122 HydrophobicContact CE1-CG 4.07Å; Y93-F122 AromaticContact CE2-CD2 3.67Å; Y93-F122 HydrophobicContact CE2-CD2 3.67Å; Y93-F122 HydrophobicContact CE2-CE2 4.21Å; Y93-F122 HydrophobicContact CG-CD2 4.34Å; Y93-F122 AromaticContact CZ-CD2 3.49Å; Y93-F122 VanDerWaalsContact CZ-CD2 3.49Å; F122-P124 HydrophobicContact CD1-CG 3.78Å; F122-P124 HydrophobicContact CE1-CB 4.09Å; F122-P124 HydrophobicContact CE1-CG 3.84Å; F122-P124 WeakPolarHBondContact O-CD 3.49Å; F122-S127 VanDerWaalsContact CE2-OG 3.26Å; F122-S127 WeakPolarHBondContact CE2-OG 3.46Å; F122-S127 WeakPolarHBondContact CZ-OG 3.5Å; F122-G129 WeakPolarHBondContact CZ-O 3.26Å; F122-E131 HydrophobicContact CB-CG 4.21Å; F122-E131 HydrophobicContact CD1-CG 3.62Å; F122-E131 HydrophobicContact CD2-CG 3.87Å; F122-E131 HydrophobicContact CE1-CG 3.87Å; F122-E131 HydrophobicContact CE2-CG 4.09Å; F122-E131 HydrophobicContact CG-CG 3.62Å; F122-E131 HydrophobicContact CZ-CG 4.1Å
123E98.6Very high98.2Very high45 Ų4545.6 Ų45.621%0.2127%0.267CS..  trans-11690.1179.6-64.8-70.5177.900109.4Y62 T92 R94 S125 L126 S127Y62-E123 HydrophobicContact CD1-CG 4.47Å; Y62-E123 HydrophobicContact CE1-CG 4.15Å; T92-E123 HydrophobicContact CG2-CB 4.28Å; T92-E123 PolarHBondContact O-N 2.93Å; R94-E123 HydrophobicContact CB-CG 4.2Å; E123-S125 VanDerWaalsContact C-N 3.26Å; E123-S125 PolarHBondContact O-N 2.86Å; E123-L126 HydrophobicContact CB-CB 4.22Å; E123-L126 HydrophobicContact CB-CD1 4.29Å; E123-L126 HydrophobicContact CB-CG 4.4Å; E123-L126 PolarHBondContact O-N 3.13Å; E123-L126 VanDerWaalsContact O-N 3.16Å; E123-S127 PolarHBondContact O-N 3.21Å; E123-S127 PolarHBondContact O-OG 2.93Å
124P98.1Very high98.2Very high86 Ų8647.8 Ų47.856%0.55828%0.28SS*.G310 helixtrans-59.9-35.5-177-22.631.5000113.1F122 L126 S127F122-P124 HydrophobicContact CD1-CG 3.78Å; F122-P124 HydrophobicContact CE1-CB 4.09Å; F122-P124 HydrophobicContact CE1-CG 3.84Å; F122-P124 WeakPolarHBondContact O-CD 3.49Å; P124-L126 PolarHBondContact O-N 2.95Å; P124-S127 PolarHBondContact O-N 3.07Å
125S98.3Very high98.2Very high102 Ų10247.8 Ų47.871%0.71328%0.28SS*.G310 helixtrans-66.5-20.7-179.454.60000113.7E123E123-S125 VanDerWaalsContact C-N 3.26Å; E123-S125 PolarHBondContact O-N 2.86Å
126L98.4Very high98.3Very high81 Ų8148.7 Ų48.742%0.42429%0.285SS..G310 helixtrans-108.312.4178.8-58.2179.4000112Y62 T92 E123 P124Y62-L126 HydrophobicContact CD1-CD1 4.26Å; Y62-L126 HydrophobicContact CE1-CD1 3.83Å; T92-L126 WeakPolarHBondContact CB-O 3.32Å; T92-L126 HydrophobicContact CG2-CB 3.83Å; T92-L126 HydrophobicContact CG2-CD1 4.12Å; T92-L126 PolarHBondContact OG1-O 3.16Å; E123-L126 HydrophobicContact CB-CB 4.22Å; E123-L126 HydrophobicContact CB-CD1 4.29Å; E123-L126 HydrophobicContact CB-CG 4.4Å; E123-L126 PolarHBondContact O-N 3.13Å; E123-L126 VanDerWaalsContact O-N 3.16Å; P124-L126 PolarHBondContact O-N 2.95Å
127S98.8Very high98.3Very high22 Ų2247.7 Ų47.715%0.15428%0.281CS..SBendtrans-118.9147.7-174-61.30000111.5P90 T92 F122 E123 P124 G129P90-S127 CarbonylContact O-C 3.59Å; P90-S127 WeakPolarHBondContact O-CA 3.18Å; T92-S127 PolarHBondContact N-OG 2.98Å; F122-S127 VanDerWaalsContact CE2-OG 3.26Å; F122-S127 WeakPolarHBondContact CE2-OG 3.46Å; F122-S127 WeakPolarHBondContact CZ-OG 3.5Å; E123-S127 PolarHBondContact O-N 3.21Å; E123-S127 PolarHBondContact O-OG 2.93Å; P124-S127 PolarHBondContact O-N 3.07Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.3Å
128V98.6Very high98.3Very high95 Ų9547.3 Ų47.358%0.57628%0.278SS*.SBendtrans-72.7-21.4177.970.80000113.3P90 Y91P90-V128 PolarHBondContact O-N 3.49Å; Y91-V128 HydrophobicContact CE1-CG1 4.2Å; Y91-V128 HydrophobicContact CE2-CG1 4.11Å
129G98.1Very high98.4Very high18 Ų1846 Ų4619%0.18627%0.271CS..SBendtrans-158.7-162-174.700000111.6F122 S127F122-G129 WeakPolarHBondContact CZ-O 3.26Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.3Å
130T98.5Very high98.5Very high73 Ų7346.8 Ų46.845%0.44828%0.275SS..  trans-104167.6-175.870.40000112.1Y91 N132 D133Y91-T130 WeakPolarHBondContact CE1-O 3.28Å; T130-N132 PolarHBondContact O-N 3.43Å; T130-N132 VanDerWaalsContact O-N 3.15Å; T130-N132 PolarHBondContact OG1-N 2.91Å; T130-D133 PolarHBondContact N-OD1 2.93Å; T130-D133 WeakPolarHBondContact O-CB 3.23Å; T130-D133 PolarHBondContact O-N 3.33Å; T130-D133 VanDerWaalsContact O-N 3.17Å; T130-D133 PolarHBondContact OG1-N 2.84Å; T130-D133 PolarHBondContact OG1-OD1 3.21Å
131E98.3Very high98.4Very high43 Ų4346.4 Ų46.420%0.20127%0.272CS..THydrogen-bonded Turntrans-66-11.9171.6-59.1-168.593.800113.8Y93 F122 L175 R176Y93-E131 WeakPolarHBondContact CE1-OE1 3Å; Y93-E131 WeakPolarHBondContact OH-CG 3.45Å; Y93-E131 PolarHBondContact OH-OE1 3.38Å; F122-E131 HydrophobicContact CB-CG 4.21Å; F122-E131 HydrophobicContact CD1-CG 3.62Å; F122-E131 HydrophobicContact CD2-CG 3.87Å; F122-E131 HydrophobicContact CE1-CG 3.87Å; F122-E131 HydrophobicContact CE2-CG 4.09Å; F122-E131 HydrophobicContact CG-CG 3.62Å; F122-E131 HydrophobicContact CZ-CG 4.1Å; E131-L175 WeakPolarHBondContact O-CB 3.33Å; E131-L175 PolarHBondContact O-N 3.43Å; E131-R176 HydrophobicContact CB-CB 4.14Å; E131-R176 PolarHBondContact O-N 3.13Å
132N98.6Very high98.4Very high119 Ų11942.9 Ų42.964%0.63625%0.254SS*.THydrogen-bonded Turntrans-91.3-4.9177.4-66.4-25.1000113T130 T134T130-N132 PolarHBondContact O-N 3.43Å; T130-N132 VanDerWaalsContact O-N 3.15Å; T130-N132 PolarHBondContact OG1-N 2.91Å; N132-T134 PolarHBondContact O-N 3.11Å
133D98.7Very high98.3Very high40 Ų4041.4 Ų41.421%0.21425%0.248CC..  trans-57.5134.3173.8-78.641000109.6R88 Y91 T130 F135 T174 L175R88-D133 IonicContact NH2-OD2 3.24Å; R88-D133 PolarHBondContact NH2-OD2 3.48Å; Y91-D133 HydrophobicContact CE1-CB 4.13Å; Y91-D133 WeakPolarHBondContact OH-CB 3.29Å; Y91-D133 PolarHBondContact OH-OD2 2.97Å; T130-D133 PolarHBondContact N-OD1 2.93Å; T130-D133 WeakPolarHBondContact O-CB 3.23Å; T130-D133 PolarHBondContact O-N 3.33Å; T130-D133 VanDerWaalsContact O-N 3.17Å; T130-D133 PolarHBondContact OG1-N 2.84Å; T130-D133 PolarHBondContact OG1-OD1 3.21Å; D133-F135 HydrophobicContact CB-CE2 4.27Å; D133-F135 HydrophobicContact CB-CZ 4.11Å; D133-F135 VanDerWaalsContact O-CE2 3.26Å; D133-F135 WeakPolarHBondContact O-CE2 3.21Å; D133-T174 CarbonylContact O-C 3.58Å; D133-T174 VanDerWaalsContact O-CA 3.25Å; D133-T174 WeakPolarHBondContact O-CA 3.37Å; D133-L175 PolarHBondContact O-N 3.2Å
134T98.6Very high98.1Very high73 Ų7339.8 Ų39.845%0.44824%0.242SC..EExtended strand (participates in β ladder)trans-103.1149.4-175.354.60000111.9R88 N132 T172 R173 T174R88-T134 PolarHBondContact NH1-O 3.1Å; N132-T134 PolarHBondContact O-N 3.11Å; T134-T172 HydrophobicContact CG2-CG2 4.38Å; T134-R173 CarbonylContact C-O 3.53Å; T134-R173 VanDerWaalsContact CA-O 3.31Å; T134-R173 WeakPolarHBondContact CA-O 3.31Å; T134-T174 HydrophobicContact CG2-CG2 3.97Å
135F98.8Very high97.9Very high2 Ų235.9 Ų35.91%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-138144.2179.3-49.5-89.1000110I67 D69 R88 Y91 D133 I137 T172 R173 L175I67-F135 HydrophobicContact CB-CD1 3.84Å; I67-F135 HydrophobicContact CB-CD2 4.49Å; I67-F135 HydrophobicContact CB-CE1 3.87Å; I67-F135 HydrophobicContact CB-CG 4.15Å; I67-F135 HydrophobicContact CB-CZ 4.22Å; I67-F135 HydrophobicContact CG1-CD1 4.42Å; I67-F135 HydrophobicContact CG1-CD2 4.39Å; I67-F135 HydrophobicContact CG1-CE1 4.11Å; I67-F135 HydrophobicContact CG1-CE2 4.1Å; I67-F135 HydrophobicContact CG1-CZ 3.94Å; I67-F135 HydrophobicContact CG2-CB 4.04Å; I67-F135 HydrophobicContact CG2-CD1 3.84Å; I67-F135 HydrophobicContact CG2-CD2 4.17Å; I67-F135 HydrophobicContact CG2-CE1 4.36Å; I67-F135 HydrophobicContact CG2-CG 3.73Å; D69-F135 HydrophobicContact CB-CD1 4.2Å; R88-F135 HydrophobicContact CB-CD1 4.47Å; R88-F135 HydrophobicContact CB-CE1 3.78Å; R88-F135 VanDerWaalsContact CZ-CE1 3.47Å; Y91-F135 HydrophobicContact CE2-CE1 4.11Å; Y91-F135 AromaticContact CE2-CZ 3.52Å; Y91-F135 HydrophobicContact CE2-CZ 3.52Å; Y91-F135 AromaticContact CZ-CZ 3.58Å; Y91-F135 VanDerWaalsContact OH-CZ 3.3Å; Y91-F135 WeakPolarHBondContact OH-CZ 3.17Å; D133-F135 HydrophobicContact CB-CE2 4.27Å; D133-F135 HydrophobicContact CB-CZ 4.11Å; D133-F135 VanDerWaalsContact O-CE2 3.26Å; D133-F135 WeakPolarHBondContact O-CE2 3.21Å; F135-I137 HydrophobicContact CB-CG2 3.94Å; F135-T172 VanDerWaalsContact O-CA 3.28Å; F135-T172 WeakPolarHBondContact O-CA 3.47Å; F135-R173 PolarHBondContact N-O 3.12Å; F135-R173 PolarHBondContact O-N 3.03Å; F135-L175 HydrophobicContact CE2-CB 3.92Å; F135-L175 HydrophobicContact CE2-CD1 3.96Å; F135-L175 HydrophobicContact CZ-CD1 4.28Å
136T98.8Very high97.6Very high35 Ų3532 Ų3222%0.21519%0.189CC..EExtended strand (participates in β ladder)trans-86.3117.7166.4-600000108.2D69 V70 P73 F170 Q171D69-T136 PolarHBondContact OD1-N 3.17Å; V70-T136 HydrophobicContact CB-CG2 4.13Å; V70-T136 WeakPolarHBondContact CB-O 3.49Å; V70-T136 WeakPolarHBondContact CG2-O 3.16Å; V70-T136 PolarHBondContact N-O 2.95Å; P73-T136 HydrophobicContact CB-CG2 4.05Å; P73-T136 HydrophobicContact CG-CG2 4.03Å; T136-F170 HydrophobicContact CG2-CB 4.24Å; T136-Q171 WeakPolarHBondContact CA-O 3.3Å
137I98.3Very high97.3Very high2 Ų230.6 Ų30.61%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-136165.1-173.655.5163.8000110.6I67 F135 N139 F170 Q171 R173 L178I67-I137 HydrophobicContact CG2-CG2 4.11Å; F135-I137 HydrophobicContact CB-CG2 3.94Å; I137-N139 PolarHBondContact O-N 2.79Å; I137-F170 CarbonylContact O-C 3.59Å; I137-F170 VanDerWaalsContact O-CA 3.27Å; I137-F170 WeakPolarHBondContact O-CA 3.47Å; I137-Q171 HydrophobicContact CG1-CG 4.05Å; I137-Q171 PolarHBondContact N-O 2.89Å; I137-Q171 PolarHBondContact O-N 3.08Å; I137-R173 HydrophobicContact CD1-CB 4.2Å; I137-R173 HydrophobicContact CD1-CG 4.33Å; I137-L178 HydrophobicContact CD1-CB 4.45Å; I137-L178 HydrophobicContact CD1-CD1 3.45Å; I137-L178 VanDerWaalsContact CD1-CD1 3.45Å; I137-L178 HydrophobicContact CD1-CD2 4.11Å; I137-L178 HydrophobicContact CD1-CG 4.19Å; I137-L178 HydrophobicContact CG2-CD2 4.33Å
138L98.6Very high97Very high1 Ų132.7 Ų32.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-57.9136170.2-17172.8000110.1L140 A143 M169 F170 I391 V393 V411 I413L138-L140 PolarHBondContact O-N 3.33Å; L138-L140 VanDerWaalsContact O-N 3.08Å; L138-A143 HydrophobicContact CD1-CB 4.45Å; L138-A143 HydrophobicContact CD2-CB 3.6Å; L138-A143 HydrophobicContact CG-CB 4Å; L138-M169 HydrophobicContact CD1-CE 3.9Å; L138-M169 HydrophobicContact CD1-CG 3.88Å; L138-M169 WeakPolarHBondContact CD1-O 3.46Å; L138-F170 HydrophobicContact CD1-CE1 4.3Å; L138-I391 HydrophobicContact CD2-CB 3.77Å; L138-I391 HydrophobicContact CD2-CG2 3.61Å; L138-V393 HydrophobicContact CD1-CB 4.47Å; L138-V393 HydrophobicContact CD1-CG1 4.36Å; L138-V393 HydrophobicContact CD2-CB 4.37Å; L138-V411 HydrophobicContact CB-CG1 4.3Å; L138-V411 HydrophobicContact CD1-CG2 4.44Å; L138-V411 HydrophobicContact CD2-CB 4.13Å; L138-V411 HydrophobicContact CD2-CG2 4.1Å; L138-I413 HydrophobicContact CB-CD1 3.83Å; L138-I413 HydrophobicContact CD2-CD1 4.46Å
139N98.5Very high96.7Very high4 Ų431.5 Ų31.52%0.02118%0.175CC..  trans-70.6104.7170.2-174.5-37.2000109.5I137 A141 V142 A143 S168 M169 Q171I137-N139 PolarHBondContact O-N 2.79Å; N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 2.86Å; N139-A141 PolarHBondContact OD1-N 3.12Å; N139-V142 HydrophobicContact CB-CB 3.95Å; N139-V142 HydrophobicContact CB-CG2 4.14Å; N139-V142 VanDerWaalsContact CG-CG2 3.45Å; N139-V142 WeakPolarHBondContact ND2-CG2 3.27Å; N139-V142 PolarHBondContact O-N 2.94Å; N139-V142 PolarHBondContact OD1-N 3.21Å; N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.44Å; N139-S168 WeakPolarHBondContact CB-O 3.29Å; N139-S168 PolarHBondContact ND2-O 2.78Å; N139-M169 VanDerWaalsContact CB-O 3.32Å; N139-M169 WeakPolarHBondContact CB-O 3.46Å; N139-M169 PolarHBondContact N-O 2.98Å; N139-Q171 HydrophobicContact CB-CB 4.41Å; N139-Q171 HydrophobicContact CB-CG 4.1Å
140L97.9Very high96.3Very high20 Ų2036 Ų3611%0.10520%0.199CC..Hα-helixtrans-58.8-41.6-173.5-55.3-177.9000111.9L138 A144 L178 V200 I391 I413L138-L140 PolarHBondContact O-N 3.33Å; L138-L140 VanDerWaalsContact O-N 3.08Å; L140-A144 VanDerWaalsContact O-CB 3.23Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 2.85Å; L140-L178 HydrophobicContact CD1-CD1 4.25Å; L140-V200 HydrophobicContact CD1-CG2 4.46Å; L140-I391 HydrophobicContact CD2-CG1 3.99Å; L140-I413 HydrophobicContact CD2-CD1 4.29Å; L140-I413 HydrophobicContact CD2-CG1 4.42Å
141A97.3Very high96.1Very high5 Ų536.8 Ų36.84%0.04120%0.201CC..Hα-helixtrans-71.3-45.7-179.200000111.7N139 A143 A144 A145 D184 F186 L187N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 2.86Å; N139-A141 PolarHBondContact OD1-N 3.12Å; A141-A143 VanDerWaalsContact C-N 3.31Å; A141-A143 PolarHBondContact O-N 2.86Å; A141-A144 PolarHBondContact O-N 2.9Å; A141-A145 VanDerWaalsContact O-CB 3.27Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.02Å; A141-D184 HydrophobicContact CB-CB 4.27Å; A141-D184 VanDerWaalsContact CB-CG 3.49Å; A141-D184 WeakPolarHBondContact CB-OD2 3.49Å; A141-F186 HydrophobicContact CB-CD1 3.89Å; A141-F186 HydrophobicContact CB-CE1 4.21Å; A141-L187 HydrophobicContact CB-CD1 3.8Å; A141-L187 HydrophobicContact CB-CD2 4.12Å; A141-L187 HydrophobicContact CB-CG 3.78Å
142V97.2Very high95.8Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-63.4-37.8178.5172.20000111.3N139 P146 I162 F186 A401 L402N139-V142 HydrophobicContact CB-CB 3.95Å; N139-V142 HydrophobicContact CB-CG2 4.14Å; N139-V142 VanDerWaalsContact CG-CG2 3.45Å; N139-V142 WeakPolarHBondContact ND2-CG2 3.27Å; N139-V142 PolarHBondContact O-N 2.94Å; N139-V142 PolarHBondContact OD1-N 3.21Å; V142-P146 WeakPolarHBondContact O-CD 3.21Å; V142-I162 HydrophobicContact CG1-CD1 4.37Å; V142-I162 HydrophobicContact CG2-CD1 4.32Å; V142-I162 HydrophobicContact CG2-CG1 4.27Å; V142-I162 HydrophobicContact CG2-CG2 4.39Å; V142-F186 HydrophobicContact CG2-CD1 4.32Å; V142-A401 HydrophobicContact CG1-CB 4.14Å; V142-L402 HydrophobicContact CG1-CD1 4.27Å; V142-L402 HydrophobicContact CG1-CD2 4.38Å; V142-L402 HydrophobicContact CG1-CG 4.25Å
143A96.9Very high95.5Very high4 Ų440 Ų403%0.03322%0.218CC..Hα-helixtrans-71.3-41.2176.600000112.8L138 N139 A141 I391 V393L138-A143 HydrophobicContact CD1-CB 4.45Å; L138-A143 HydrophobicContact CD2-CB 3.6Å; L138-A143 HydrophobicContact CG-CB 4Å; N139-A143 WeakPolarHBondContact O-CB 3.5Å; N139-A143 PolarHBondContact O-N 3.44Å; A141-A143 VanDerWaalsContact C-N 3.31Å; A141-A143 PolarHBondContact O-N 2.86Å; A143-I391 HydrophobicContact CB-CG2 3.93Å; A143-V393 HydrophobicContact CB-CB 4.3Å; A143-V393 HydrophobicContact CB-CG2 4.28Å
144A95.8Very high95.2Very high10 Ų1040.1 Ų40.18%0.08322%0.22CC..Hα-helixtrans-74.3-35.5-177.900000113.5L140 A141 H147 I148 R337 P338L140-A144 VanDerWaalsContact O-CB 3.23Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 2.85Å; A141-A144 PolarHBondContact O-N 2.9Å; A144-H147 WeakPolarHBondContact O-CB 3.4Å; A144-H147 PolarHBondContact O-N 2.9Å; A144-H147 VanDerWaalsContact O-N 3.09Å; A144-I148 HydrophobicContact CB-CD1 4.28Å; A144-I148 WeakPolarHBondContact O-CG1 3.31Å; A144-I148 PolarHBondContact O-N 3.48Å; A144-R337 HydrophobicContact CB-CG 4.27Å; A144-P338 HydrophobicContact CB-CG 4.42Å
145A92.7Very high94.9Very high5 Ų537.9 Ų37.94%0.04120%0.204CC..Hα-helixtrans-54.6-51.4-174.200000114.9A141 H147 I148 Y149 L158 F186A141-A145 VanDerWaalsContact O-CB 3.27Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.02Å; A145-H147 PolarHBondContact O-N 2.83Å; A145-I148 PolarHBondContact O-N 2.87Å; A145-Y149 WeakPolarHBondContact O-CB 3.4Å; A145-Y149 WeakPolarHBondContact O-CD2 3.46Å; A145-Y149 PolarHBondContact O-N 2.91Å; A145-L158 HydrophobicContact CB-CD1 4.26Å; A145-F186 HydrophobicContact CB-CE1 3.89Å; A145-F186 HydrophobicContact CB-CZ 3.88Å
146P92.4Very high94.7Very high19 Ų1941.2 Ų41.212%0.12323%0.225CC..Hα-helixtrans-66.7-23.9177.624.4-33.6000113.9V142 A396 I399 L402V142-P146 WeakPolarHBondContact O-CD 3.21Å; P146-A396 HydrophobicContact CB-CB 4.1Å; P146-A396 HydrophobicContact CG-CB 4.49Å; P146-I399 HydrophobicContact CB-CD1 3.74Å; P146-I399 HydrophobicContact CG-CD1 4.09Å; P146-L402 HydrophobicContact CG-CD1 3.81Å
147H92.3Very high94.5Very high53 Ų5342.2 Ų42.225%0.24523%0.231CC..Hα-helixtrans-74.5-40.1177.7-171.894.9000111.2A144 A145 G336 P338A144-H147 WeakPolarHBondContact O-CB 3.4Å; A144-H147 PolarHBondContact O-N 2.9Å; A144-H147 VanDerWaalsContact O-N 3.09Å; A145-H147 PolarHBondContact O-N 2.83Å; H147-G336 PolarHBondContact CD2-O 2.87Å; H147-G336 VanDerWaalsContact CD2-O 3.22Å; H147-P338 HydrophobicContact CB-CB 4.17Å; H147-P338 HydrophobicContact CB-CG 3.94Å
148I92.7Very high94.3Very high66 Ų6642.1 Ų42.134%0.33823%0.231SC..Hα-helixtrans-77.7-43.3177.7-63.5168.5000110.8A144 A145 G336 R337A144-I148 HydrophobicContact CB-CD1 4.28Å; A144-I148 WeakPolarHBondContact O-CG1 3.31Å; A144-I148 PolarHBondContact O-N 3.48Å; A145-I148 PolarHBondContact O-N 2.87Å; I148-G336 WeakPolarHBondContact CG1-O 3.34Å; I148-R337 HydrophobicContact CD1-CG 3.99Å
149Y91.6Very high94.2Very high69 Ų6943.2 Ų43.227%0.27124%0.236SC..  trans-106.388.2-175.4-56.2-70.7000110.9A145 V154 Q155 L158 Y192A145-Y149 WeakPolarHBondContact O-CB 3.4Å; A145-Y149 WeakPolarHBondContact O-CD2 3.46Å; A145-Y149 PolarHBondContact O-N 2.91Å; Y149-V154 HydrophobicContact CD1-CG1 4.21Å; Y149-V154 HydrophobicContact CG-CG1 4.07Å; Y149-Q155 VanDerWaalsContact O-CG 3.29Å; Y149-Q155 WeakPolarHBondContact O-CG 3.44Å; Y149-Q155 PolarHBondContact O-NE2 3.02Å; Y149-L158 HydrophobicContact CD2-CD1 3.78Å; Y149-L158 HydrophobicContact CG-CD1 4.08Å; Y149-Y192 HydrophobicContact CE1-CE2 4.44Å
150T90.6Very high94.1Very high112 Ų11246.6 Ų46.669%0.68726%0.26SS*.  trans-81-16.3-17857.40000113.7S152T150-S152 PolarHBondContact O-N 2.92Å
151N93.2Very high94Very high91 Ų9146.7 Ų46.749%0.48726%0.261SS..  trans-64.8126.9178.8-179.2-69.9000111.4F153 V154 Q155N151-F153 PolarHBondContact O-N 2.77Å; N151-F153 WeakPolarHBondContact OD1-CA 3.43Å; N151-F153 WeakPolarHBondContact OD1-CB 3.21Å; N151-F153 PolarHBondContact OD1-N 3.22Å; N151-V154 HydrophobicContact CB-CB 4.15Å; N151-V154 HydrophobicContact CB-CG2 3.88Å; N151-V154 PolarHBondContact O-N 2.96Å; N151-V154 PolarHBondContact OD1-N 2.82Å; N151-V154 VanDerWaalsContact OD1-N 3.16Å; N151-Q155 PolarHBondContact O-N 3.09Å
152S92.1Very high94Very high76 Ų7646.6 Ų46.653%0.53126%0.259SS..Hα-helixtrans-61.4-38-175.1-72.20000114T150 Q155 V156T150-S152 PolarHBondContact O-N 2.92Å; S152-Q155 PolarHBondContact O-N 3.31Å; S152-V156 WeakPolarHBondContact O-CG2 3.3Å; S152-V156 PolarHBondContact O-N 3.4Å
153F92.1Very high94Very high154 Ų15451.8 Ų51.868%0.67528%0.282SS*.Hα-helixtrans-67.9-43.4177.9177.5-99000110.7N151 Q155 V156 V157N151-F153 PolarHBondContact O-N 2.77Å; N151-F153 WeakPolarHBondContact OD1-CA 3.43Å; N151-F153 WeakPolarHBondContact OD1-CB 3.21Å; N151-F153 PolarHBondContact OD1-N 3.22Å; F153-Q155 VanDerWaalsContact C-N 3.31Å; F153-Q155 PolarHBondContact O-N 2.83Å; F153-V156 PolarHBondContact O-N 3.43Å; F153-V156 VanDerWaalsContact O-N 3.15Å; F153-V157 HydrophobicContact CE1-CG2 4.13Å; F153-V157 HydrophobicContact CZ-CG2 4.32Å; F153-V157 PolarHBondContact O-N 3.34Å; F153-V157 VanDerWaalsContact O-N 3.16Å
154V92.4Very high93.9Very high42 Ų4259 Ų5926%0.25531%0.312SS..Hα-helixtrans-59-43.9174.9179.60000110.5Y149 N151 V156 V157 L158Y149-V154 HydrophobicContact CD1-CG1 4.21Å; Y149-V154 HydrophobicContact CG-CG1 4.07Å; N151-V154 HydrophobicContact CB-CB 4.15Å; N151-V154 HydrophobicContact CB-CG2 3.88Å; N151-V154 PolarHBondContact O-N 2.96Å; N151-V154 PolarHBondContact OD1-N 2.82Å; N151-V154 VanDerWaalsContact OD1-N 3.16Å; V154-V156 VanDerWaalsContact C-N 3.3Å; V154-V156 PolarHBondContact O-N 3Å; V154-V157 WeakPolarHBondContact O-CB 3.32Å; V154-V157 PolarHBondContact O-N 3.03Å; V154-V157 VanDerWaalsContact O-N 3.13Å; V154-L158 HydrophobicContact CG1-CD1 3.89Å; V154-L158 HydrophobicContact CG1-CG 4.1Å; V154-L158 VanDerWaalsContact O-CG 3.29Å; V154-L158 WeakPolarHBondContact O-CG 3.44Å; V154-L158 PolarHBondContact O-N 2.9Å
155Q93.5Very high94Very high25 Ų2559.7 Ų59.712%0.11732%0.317CS..Hα-helixtrans-61.6-34.2177.4-69.4-171.77.800113.8Y149 N151 S152 F153 L158 N159 K398 I399Y149-Q155 VanDerWaalsContact O-CG 3.29Å; Y149-Q155 WeakPolarHBondContact O-CG 3.44Å; Y149-Q155 PolarHBondContact O-NE2 3.02Å; N151-Q155 PolarHBondContact O-N 3.09Å; S152-Q155 PolarHBondContact O-N 3.31Å; F153-Q155 VanDerWaalsContact C-N 3.31Å; F153-Q155 PolarHBondContact O-N 2.83Å; Q155-L158 PolarHBondContact O-N 3.34Å; Q155-N159 VanDerWaalsContact O-CB 3.29Å; Q155-N159 WeakPolarHBondContact O-CB 3.44Å; Q155-N159 PolarHBondContact O-N 3.37Å; Q155-K398 HydrophobicContact CB-CB 3.92Å; Q155-I399 HydrophobicContact CB-CD1 4.44Å; Q155-I399 HydrophobicContact CG-CD1 4.41Å
156V94.8Very high94.2Very high72 Ų7268.6 Ų68.644%0.43636%0.355SS..Hα-helixtrans-65.7-42.1174.5172.30000111S152 F153 V154 N159 S160 K398S152-V156 WeakPolarHBondContact O-CG2 3.3Å; S152-V156 PolarHBondContact O-N 3.4Å; F153-V156 PolarHBondContact O-N 3.43Å; F153-V156 VanDerWaalsContact O-N 3.15Å; V154-V156 VanDerWaalsContact C-N 3.3Å; V154-V156 PolarHBondContact O-N 3Å; V156-N159 PolarHBondContact O-N 3.22Å; V156-S160 PolarHBondContact O-N 2.96Å; V156-S160 VanDerWaalsContact O-N 3.15Å; V156-K398 HydrophobicContact CG2-CB 4.3Å; V156-K398 HydrophobicContact CG2-CD 4.12Å; V156-K398 HydrophobicContact CG2-CG 4.34Å
157V94.1Very high94.4Very high56 Ų5668.5 Ų68.534%0.33935%0.354SS..Hα-helixtrans-62.7-49.5174.61770000110.4F153 V154 N159 S160 L161F153-V157 HydrophobicContact CE1-CG2 4.13Å; F153-V157 HydrophobicContact CZ-CG2 4.32Å; F153-V157 PolarHBondContact O-N 3.34Å; F153-V157 VanDerWaalsContact O-N 3.16Å; V154-V157 WeakPolarHBondContact O-CB 3.32Å; V154-V157 PolarHBondContact O-N 3.03Å; V154-V157 VanDerWaalsContact O-N 3.13Å; V157-N159 VanDerWaalsContact C-N 3.3Å; V157-N159 PolarHBondContact O-N 3.25Å; V157-S160 WeakPolarHBondContact O-CB 3.41Å; V157-S160 PolarHBondContact O-N 3.04Å; V157-L161 HydrophobicContact CG1-CD1 4.45Å; V157-L161 WeakPolarHBondContact O-CG 3.16Å; V157-L161 PolarHBondContact O-N 2.89Å; V157-L161 VanDerWaalsContact O-N 3.12Å
158L93.8Very high94.6Very high1 Ų168.4 Ų68.41%0.00536%0.36CS..Hα-helixtrans-57.9-42.7178.2-64.9172.8000111.5A145 Y149 V154 Q155 S160 L161 I162 F186A145-L158 HydrophobicContact CB-CD1 4.26Å; Y149-L158 HydrophobicContact CD2-CD1 3.78Å; Y149-L158 HydrophobicContact CG-CD1 4.08Å; V154-L158 HydrophobicContact CG1-CD1 3.89Å; V154-L158 HydrophobicContact CG1-CG 4.1Å; V154-L158 VanDerWaalsContact O-CG 3.29Å; V154-L158 WeakPolarHBondContact O-CG 3.44Å; V154-L158 PolarHBondContact O-N 2.9Å; Q155-L158 PolarHBondContact O-N 3.34Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.89Å; L158-L161 PolarHBondContact O-N 2.99Å; L158-L161 VanDerWaalsContact O-N 3.14Å; L158-I162 WeakPolarHBondContact O-CB 3.31Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.3Å; L158-F186 HydrophobicContact CB-CE2 4.27Å; L158-F186 HydrophobicContact CB-CZ 4.35Å; L158-F186 HydrophobicContact CD2-CE2 3.91Å; L158-F186 HydrophobicContact CD2-CZ 3.86Å
159N96Very high94.8Very high24 Ų2465.3 Ų65.313%0.12834%0.344CS..Hα-helixtrans-58.1-41.7175179.856.1000112.6Q155 V156 V157 L161 I162 K163 K398 I399 E400Q155-N159 VanDerWaalsContact O-CB 3.29Å; Q155-N159 WeakPolarHBondContact O-CB 3.44Å; Q155-N159 PolarHBondContact O-N 3.37Å; V156-N159 PolarHBondContact O-N 3.22Å; V157-N159 VanDerWaalsContact C-N 3.3Å; V157-N159 PolarHBondContact O-N 3.25Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 3.47Å; N159-I162 PolarHBondContact O-N 3.16Å; N159-K163 WeakPolarHBondContact ND2-CE 3.39Å; N159-K163 WeakPolarHBondContact O-CG 3.41Å; N159-K163 PolarHBondContact O-N 3.04Å; N159-K398 WeakPolarHBondContact CB-O 3.42Å; N159-K398 PolarHBondContact ND2-O 3.23Å; N159-I399 HydrophobicContact CB-CG1 4.17Å; N159-I399 WeakPolarHBondContact OD1-CA 3.46Å; N159-E400 PolarHBondContact OD1-N 3.02Å
160S96.6Very high95.2Very high74 Ų7462.8 Ų62.852%0.51733%0.334SS..Hα-helixtrans-61-42.6175.3-170.70000111.9V156 V157 L158 K163 K164V156-S160 PolarHBondContact O-N 2.96Å; V156-S160 VanDerWaalsContact O-N 3.15Å; V157-S160 WeakPolarHBondContact O-CB 3.41Å; V157-S160 PolarHBondContact O-N 3.04Å; L158-S160 VanDerWaalsContact C-N 3.31Å; L158-S160 PolarHBondContact O-N 2.89Å; S160-K163 PolarHBondContact O-N 3.34Å; S160-K164 WeakPolarHBondContact O-CB 3.11Å; S160-K164 PolarHBondContact O-N 3.2Å
161L96.4Very high95.5Very high23 Ų2358.4 Ų58.412%0.1231%0.306CS..Hα-helixtrans-69.3-38.9177.6-58179.7000112.7V157 L158 N159 K163 K164 S165 F186 L189 V190V157-L161 HydrophobicContact CG1-CD1 4.45Å; V157-L161 WeakPolarHBondContact O-CG 3.16Å; V157-L161 PolarHBondContact O-N 2.89Å; V157-L161 VanDerWaalsContact O-N 3.12Å; L158-L161 PolarHBondContact O-N 2.99Å; L158-L161 VanDerWaalsContact O-N 3.14Å; N159-L161 VanDerWaalsContact C-N 3.34Å; N159-L161 PolarHBondContact O-N 3.47Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.04Å; L161-K164 PolarHBondContact O-N 3.02Å; L161-S165 WeakPolarHBondContact O-CB 3.32Å; L161-S165 PolarHBondContact O-N 2.61Å; L161-S165 PolarHBondContact O-OG 2.77Å; L161-F186 HydrophobicContact CB-CD2 3.92Å; L161-F186 HydrophobicContact CB-CE2 4.12Å; L161-L189 HydrophobicContact CB-CB 4.42Å; L161-L189 HydrophobicContact CD2-CB 4.05Å; L161-V190 HydrophobicContact CD1-CB 4.42Å; L161-V190 HydrophobicContact CD1-CG2 3.86Å
162I96.8Very high95.8Very high3 Ų358.1 Ų58.12%0.01531%0.308CS..Hα-helixtrans-58.6-47.2173.3-71.1168.1000109.7V142 L158 N159 S165 K166 S167 F186 I399 A401V142-I162 HydrophobicContact CG1-CD1 4.37Å; V142-I162 HydrophobicContact CG2-CD1 4.32Å; V142-I162 HydrophobicContact CG2-CG1 4.27Å; V142-I162 HydrophobicContact CG2-CG2 4.39Å; L158-I162 WeakPolarHBondContact O-CB 3.31Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.3Å; N159-I162 PolarHBondContact O-N 3.16Å; I162-S165 PolarHBondContact O-N 2.59Å; I162-S165 PolarHBondContact O-OG 2.76Å; I162-K166 PolarHBondContact O-N 2.85Å; I162-S167 VanDerWaalsContact CG2-O 3.31Å; I162-S167 WeakPolarHBondContact CG2-O 3.41Å; I162-S167 PolarHBondContact O-N 2.96Å; I162-F186 HydrophobicContact CB-CD2 4.44Å; I162-F186 HydrophobicContact CD1-CE1 4.48Å; I162-F186 HydrophobicContact CD1-CE2 4.23Å; I162-F186 HydrophobicContact CD1-CZ 4.18Å; I162-F186 HydrophobicContact CG1-CB 4.47Å; I162-F186 HydrophobicContact CG1-CD1 4.16Å; I162-F186 HydrophobicContact CG1-CD2 3.49Å; I162-F186 VanDerWaalsContact CG1-CD2 3.49Å; I162-F186 HydrophobicContact CG1-CE1 4.24Å; I162-F186 HydrophobicContact CG1-CE2 3.61Å; I162-F186 HydrophobicContact CG1-CG 3.78Å; I162-F186 HydrophobicContact CG1-CZ 3.97Å; I162-I399 HydrophobicContact CD1-CG1 4.43Å; I162-I399 HydrophobicContact CD1-CG2 3.82Å; I162-A401 HydrophobicContact CG2-CB 4.37Å
163K96.6Very high96.1Very high108 Ų10856.6 Ų56.647%0.4729%0.29SS..Hα-helixtrans-63.8-45.5176-69.1-173.6-165.1-152.70112.5N159 S160 L161 S165 K166 E400N159-K163 WeakPolarHBondContact ND2-CE 3.39Å; N159-K163 WeakPolarHBondContact O-CG 3.41Å; N159-K163 PolarHBondContact O-N 3.04Å; S160-K163 PolarHBondContact O-N 3.34Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.04Å; K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 3.19Å; K163-K166 PolarHBondContact O-N 2.81Å; K163-E400 WeakPolarHBondContact CE-OE2 3.43Å; K163-E400 IonicContact NZ-OE2 2.75Å; K163-E400 PolarHBondContact NZ-OE2 3.09Å
164K96.8Very high96.4Very high155 Ų15550.5 Ų50.567%0.67427%0.266SS*.Hα-helixtrans-61.5-37.5-179.1-174.3175.5177.4-177.40112.2S160 L161 K166 L189S160-K164 WeakPolarHBondContact O-CB 3.11Å; S160-K164 PolarHBondContact O-N 3.2Å; L161-K164 PolarHBondContact O-N 3.02Å; K164-K166 VanDerWaalsContact C-N 3.25Å; K164-K166 PolarHBondContact O-N 3.2Å; K164-L189 HydrophobicContact CB-CD1 4.07Å; K164-L189 HydrophobicContact CD-CD1 4.18Å; K164-L189 HydrophobicContact CG-CD1 4Å
165S96.8Very high96.7Very high25 Ų2548.5 Ų48.518%0.17525%0.254CS..THydrogen-bonded Turntrans-79.5-2.9174.458.30000114L161 I162 K163 S167 P185 F186L161-S165 WeakPolarHBondContact O-CB 3.32Å; L161-S165 PolarHBondContact O-N 2.61Å; L161-S165 PolarHBondContact O-OG 2.77Å; I162-S165 PolarHBondContact O-N 2.59Å; I162-S165 PolarHBondContact O-OG 2.76Å; K163-S165 VanDerWaalsContact C-N 3.29Å; K163-S165 PolarHBondContact O-N 3.19Å; S165-S167 PolarHBondContact O-N 2.97Å; S165-S167 PolarHBondContact OG-OG 3.29Å; S165-P185 WeakPolarHBondContact CB-O 3.49Å; S165-F186 WeakPolarHBondContact OG-CA 3.48Å; S165-F186 WeakPolarHBondContact OG-CB 3.32Å
166K96.6Very high97Very high192 Ų19254.4 Ų54.484%0.83528%0.275SS*.THydrogen-bonded Turntrans55.431.1-172.6-56.2177.9179179.80112.8I162 K163 K164I162-K166 PolarHBondContact O-N 2.85Å; K163-K166 PolarHBondContact O-N 2.81Å; K164-K166 VanDerWaalsContact C-N 3.25Å; K164-K166 PolarHBondContact O-N 3.2Å
167S96.9Very high97.1Very high17 Ų1753.5 Ų53.512%0.11927%0.266CS..  trans-78.3142177.1-62.60000110.6I162 S165 F186I162-S167 VanDerWaalsContact CG2-O 3.31Å; I162-S167 WeakPolarHBondContact CG2-O 3.41Å; I162-S167 PolarHBondContact O-N 2.96Å; S165-S167 PolarHBondContact O-N 2.97Å; S165-S167 PolarHBondContact OG-OG 3.29Å; S167-F186 WeakPolarHBondContact OG-CB 3.43Å
168S96.8Very high97.4Very high52 Ų5250.9 Ų50.936%0.36425%0.25SS..  trans-122.3178.4176.6-168.90000110.9N139 F170N139-S168 WeakPolarHBondContact CB-O 3.29Å; N139-S168 PolarHBondContact ND2-O 2.78Å; S168-F170 VanDerWaalsContact C-N 3.27Å; S168-F170 PolarHBondContact O-N 3.02Å
169M97.6Very high97.6Very high1 Ų150.8 Ų50.81%0.00525%0.25CC..SBendtrans-60.8-37.5175.5177.9178.6174.500111.9V76 V77 L138 N139 V393 L402 L405V76-M169 HydrophobicContact CG1-CE 4.03Å; V76-M169 HydrophobicContact CG1-SD 4.41Å; V77-M169 HydrophobicContact CG2-CB 3.68Å; V77-M169 HydrophobicContact CG2-CG 4.25Å; V77-M169 HydrophobicContact CG2-SD 3.85Å; L138-M169 HydrophobicContact CD1-CE 3.9Å; L138-M169 HydrophobicContact CD1-CG 3.88Å; L138-M169 WeakPolarHBondContact CD1-O 3.46Å; N139-M169 VanDerWaalsContact CB-O 3.32Å; N139-M169 WeakPolarHBondContact CB-O 3.46Å; N139-M169 PolarHBondContact N-O 2.98Å; M169-V393 HydrophobicContact CE-CG1 3.91Å; M169-V393 HydrophobicContact CE-CG2 4.35Å; M169-L402 HydrophobicContact CB-CD2 4Å; M169-L402 HydrophobicContact CG-CD2 3.74Å; M169-L402 HydrophobicContact SD-CD2 4.09Å; M169-L405 HydrophobicContact CE-CD1 4.1Å; M169-L405 HydrophobicContact CE-CD2 4.02Å; M169-L405 HydrophobicContact SD-CD1 4.19Å; M169-L405 HydrophobicContact SD-CD2 3.87Å; M169-L405 HydrophobicContact SD-CG 4.42Å
170F98.6Very high97.7Very high15 Ų1552 Ų527%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-110.8157.3174.7-63.2-81.6000110.3V70 P73 V76 V77 I83 T136 I137 L138 S168V70-F170 HydrophobicContact CB-CD1 4.37Å; V70-F170 HydrophobicContact CB-CE1 4.35Å; V70-F170 HydrophobicContact CG1-CD1 4.17Å; V70-F170 HydrophobicContact CG1-CE1 3.91Å; V70-F170 HydrophobicContact CG1-CZ 4.3Å; V70-F170 HydrophobicContact CG2-CD1 4.1Å; V70-F170 HydrophobicContact CG2-CE1 3.86Å; P73-F170 HydrophobicContact CB-CB 3.88Å; P73-F170 HydrophobicContact CB-CD2 3.65Å; P73-F170 HydrophobicContact CB-CE2 4.34Å; P73-F170 HydrophobicContact CB-CG 3.76Å; V76-F170 HydrophobicContact CB-CE2 3.86Å; V76-F170 HydrophobicContact CB-CZ 4.16Å; V76-F170 HydrophobicContact CG1-CE2 3.85Å; V76-F170 HydrophobicContact CG1-CZ 3.9Å; V77-F170 HydrophobicContact CG2-CD2 3.77Å; V77-F170 HydrophobicContact CG2-CE2 3.93Å; I83-F170 HydrophobicContact CD1-CZ 4.49Å; T136-F170 HydrophobicContact CG2-CB 4.24Å; I137-F170 CarbonylContact O-C 3.59Å; I137-F170 VanDerWaalsContact O-CA 3.27Å; I137-F170 WeakPolarHBondContact O-CA 3.47Å; L138-F170 HydrophobicContact CD1-CE1 4.3Å; S168-F170 VanDerWaalsContact C-N 3.27Å; S168-F170 PolarHBondContact O-N 3.02Å
171Q98.2Very high97.8Very high21 Ų2149.4 Ų49.410%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-147158.8177.761.3176-19.900110.1T136 I137 N139 R173 Y182T136-Q171 WeakPolarHBondContact CA-O 3.3Å; I137-Q171 HydrophobicContact CG1-CG 4.05Å; I137-Q171 PolarHBondContact N-O 2.89Å; I137-Q171 PolarHBondContact O-N 3.08Å; N139-Q171 HydrophobicContact CB-CB 4.41Å; N139-Q171 HydrophobicContact CB-CG 4.1Å; Q171-R173 HydrophobicContact CG-CG 4.1Å; Q171-Y182 PolarHBondContact NE2-OH 3.07Å; Q171-Y182 PolarHBondContact OE1-OH 2.8Å
172T98.5Very high97.9Very high85 Ų8548.8 Ų48.852%0.52123%0.234SC..EExtended strand (participates in β ladder)trans-101.1125.7171.2-54.90000109.7T134 F135T134-T172 HydrophobicContact CG2-CG2 4.38Å; F135-T172 VanDerWaalsContact O-CA 3.28Å; F135-T172 WeakPolarHBondContact O-CA 3.47Å
173R98.5Very high97.9Very high43 Ų4356.1 Ų56.116%0.16227%0.266CS..EExtended strand (participates in β ladder)trans-136.7151.2178.5-68.5-65.3177.2-179.9-4111.2T134 F135 I137 Q171 E177 Y182T134-R173 CarbonylContact C-O 3.53Å; T134-R173 VanDerWaalsContact CA-O 3.31Å; T134-R173 WeakPolarHBondContact CA-O 3.31Å; F135-R173 PolarHBondContact N-O 3.12Å; F135-R173 PolarHBondContact O-N 3.03Å; I137-R173 HydrophobicContact CD1-CB 4.2Å; I137-R173 HydrophobicContact CD1-CG 4.33Å; Q171-R173 HydrophobicContact CG-CG 4.1Å; R173-E177 HydrophobicContact CB-CB 4.32Å; R173-E177 IonicContact CZ-OE1 3.72Å; R173-E177 IonicContact NH1-OE1 3.03Å; R173-E177 PolarHBondContact NH1-OE1 3.37Å; R173-Y182 HydrophobicContact CG-CD1 4.46Å; R173-Y182 HydrophobicContact CG-CE1 4.22Å
174T98.8Very high98Very high27 Ų2751 Ų5117%0.16624%0.243CC..EExtended strand (participates in β ladder)trans-69.1159.2168.760.90000111D133 T134 R176 E177 L178D133-T174 CarbonylContact O-C 3.58Å; D133-T174 VanDerWaalsContact O-CA 3.25Å; D133-T174 WeakPolarHBondContact O-CA 3.37Å; T134-T174 HydrophobicContact CG2-CG2 3.97Å; T174-R176 VanDerWaalsContact C-N 3.26Å; T174-R176 PolarHBondContact O-N 2.86Å; T174-E177 PolarHBondContact N-OE2 2.79Å; T174-E177 PolarHBondContact O-N 2.83Å; T174-E177 WeakPolarHBondContact OG1-CB 3.5Å; T174-E177 WeakPolarHBondContact OG1-CG 3.44Å; T174-E177 PolarHBondContact OG1-N 2.89Å; T174-E177 PolarHBondContact OG1-OE2 3.22Å; T174-L178 PolarHBondContact O-N 2.74Å
175L98.8Very high98Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-53.7-47171.9-17377.8000111.1I67 Y91 Y93 E131 D133 F135 E177 L178 L179I67-L175 HydrophobicContact CD1-CD1 3.83Å; I67-L175 HydrophobicContact CG1-CD1 3.68Å; Y91-L175 HydrophobicContact CD1-CD1 4.45Å; Y91-L175 HydrophobicContact CD1-CD2 3.42Å; Y91-L175 VanDerWaalsContact CD1-CD2 3.42Å; Y91-L175 HydrophobicContact CD1-CG 4.46Å; Y91-L175 HydrophobicContact CD2-CD1 3.78Å; Y91-L175 HydrophobicContact CD2-CD2 4.18Å; Y91-L175 HydrophobicContact CE1-CD2 4.15Å; Y91-L175 HydrophobicContact CE2-CD1 4.24Å; Y91-L175 HydrophobicContact CG-CD1 3.91Å; Y91-L175 HydrophobicContact CG-CD2 3.43Å; Y91-L175 VanDerWaalsContact CG-CD2 3.43Å; Y91-L175 HydrophobicContact CG-CG 4.29Å; Y93-L175 HydrophobicContact CE2-CD2 4.34Å; E131-L175 WeakPolarHBondContact O-CB 3.33Å; E131-L175 PolarHBondContact O-N 3.43Å; D133-L175 PolarHBondContact O-N 3.2Å; F135-L175 HydrophobicContact CE2-CB 3.92Å; F135-L175 HydrophobicContact CE2-CD1 3.96Å; F135-L175 HydrophobicContact CZ-CD1 4.28Å; L175-E177 VanDerWaalsContact C-N 3.35Å; L175-E177 PolarHBondContact O-N 2.85Å; L175-L178 PolarHBondContact O-N 3.19Å; L175-L179 HydrophobicContact CD1-CD1 3.98Å; L175-L179 HydrophobicContact CD1-CG 4.29Å; L175-L179 HydrophobicContact CD2-CD1 4.22Å; L175-L179 HydrophobicContact CG-CD1 3.8Å; L175-L179 HydrophobicContact CG-CG 4.27Å; L175-L179 WeakPolarHBondContact O-CG 3.06Å; L175-L179 PolarHBondContact O-N 3.42Å
176R98.6Very high97.9Very high149 Ų14945 Ų4556%0.56222%0.219SC*.Hα-helixtrans-57.2-48-178.4-169.2178.7175.1148.2-0.9111.9E131 T174 W180E131-R176 HydrophobicContact CB-CB 4.14Å; E131-R176 PolarHBondContact O-N 3.13Å; T174-R176 VanDerWaalsContact C-N 3.26Å; T174-R176 PolarHBondContact O-N 2.86Å; R176-W180 WeakPolarHBondContact O-CB 3.11Å; R176-W180 PolarHBondContact O-N 2.75Å
177E98.6Very high97.8Very high52 Ų5236.7 Ų36.724%0.24318%0.184CC..Hα-helixtrans-62.6-47178.1-75.9174.7115.700111.4R173 T174 L175 G181 Y182R173-E177 HydrophobicContact CB-CB 4.32Å; R173-E177 IonicContact CZ-OE1 3.72Å; R173-E177 IonicContact NH1-OE1 3.03Å; R173-E177 PolarHBondContact NH1-OE1 3.37Å; T174-E177 PolarHBondContact N-OE2 2.79Å; T174-E177 PolarHBondContact O-N 2.83Å; T174-E177 WeakPolarHBondContact OG1-CB 3.5Å; T174-E177 WeakPolarHBondContact OG1-CG 3.44Å; T174-E177 PolarHBondContact OG1-N 2.89Å; T174-E177 PolarHBondContact OG1-OE2 3.22Å; L175-E177 VanDerWaalsContact C-N 3.35Å; L175-E177 PolarHBondContact O-N 2.85Å; E177-G181 CarbonylContact O-C 3.56Å; E177-G181 VanDerWaalsContact O-C 3.26Å; E177-G181 VanDerWaalsContact O-CA 3.27Å; E177-G181 WeakPolarHBondContact O-CA 3.46Å; E177-G181 PolarHBondContact O-N 2.91Å; E177-Y182 HydrophobicContact CB-CD1 4.04Å; E177-Y182 HydrophobicContact CB-CG 4.26Å
178L98.6Very high97.7Very high1 Ų138.9 Ų38.91%0.00520%0.199CC..Hα-helixtrans-60.8-48-178.7174.856000112I67 I137 L140 T174 L175 G199 V200 I413 L414I67-L178 HydrophobicContact CD1-CD2 4Å; I67-L178 HydrophobicContact CG1-CD2 4.45Å; I67-L178 HydrophobicContact CG2-CD2 3.81Å; I137-L178 HydrophobicContact CD1-CB 4.45Å; I137-L178 HydrophobicContact CD1-CD1 3.45Å; I137-L178 VanDerWaalsContact CD1-CD1 3.45Å; I137-L178 HydrophobicContact CD1-CD2 4.11Å; I137-L178 HydrophobicContact CD1-CG 4.19Å; I137-L178 HydrophobicContact CG2-CD2 4.33Å; L140-L178 HydrophobicContact CD1-CD1 4.25Å; T174-L178 PolarHBondContact O-N 2.74Å; L175-L178 PolarHBondContact O-N 3.19Å; L178-G199 CarbonylContact O-C 3.58Å; L178-G199 WeakPolarHBondContact O-CA 3.24Å; L178-V200 HydrophobicContact CD1-CG2 3.72Å; L178-V200 HydrophobicContact CG-CG2 4.28Å; L178-V200 PolarHBondContact O-N 3.04Å; L178-I413 HydrophobicContact CD1-CG2 4.05Å; L178-I413 HydrophobicContact CD2-CG2 4.39Å; L178-L414 HydrophobicContact CD2-CD2 4.48Å
179L98.6Very high97.6Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-75-51.4-176-64.3-178.2000111.6F65 Y93 L175 F201 L414F65-L179 HydrophobicContact CD1-CD2 4.16Å; F65-L179 HydrophobicContact CD2-CD1 3.67Å; F65-L179 HydrophobicContact CD2-CD2 4.39Å; F65-L179 HydrophobicContact CE1-CD2 4.25Å; F65-L179 HydrophobicContact CE2-CD1 3.81Å; F65-L179 HydrophobicContact CE2-CD2 4.47Å; F65-L179 HydrophobicContact CG-CD1 4.2Å; F65-L179 HydrophobicContact CG-CD2 4.21Å; F65-L179 HydrophobicContact CZ-CD1 4.44Å; F65-L179 HydrophobicContact CZ-CD2 4.38Å; Y93-L179 HydrophobicContact CE2-CD1 3.74Å; L175-L179 HydrophobicContact CD1-CD1 3.98Å; L175-L179 HydrophobicContact CD1-CG 4.29Å; L175-L179 HydrophobicContact CD2-CD1 4.22Å; L175-L179 HydrophobicContact CG-CD1 3.8Å; L175-L179 HydrophobicContact CG-CG 4.27Å; L175-L179 WeakPolarHBondContact O-CG 3.06Å; L175-L179 PolarHBondContact O-N 3.42Å; L179-F201 HydrophobicContact CB-CD2 4.44Å; L179-F201 HydrophobicContact CD2-CD2 3.88Å; L179-F201 HydrophobicContact CD2-CE2 3.8Å; L179-F201 WeakPolarHBondContact O-CA 3.4Å; L179-F201 WeakPolarHBondContact O-CB 3.44Å; L179-F201 PolarHBondContact O-N 3.38Å; L179-L414 HydrophobicContact CD2-CD2 3.54Å
180W98.3Very high97.3Very high49 Ų4940.2 Ų40.219%0.18620%0.203CC..Hα-helixtrans-105.1-8.3-163.8-47.6122.2000114.2F65 Y93 A120 R176 F201 Y202 Y204F65-W180 HydrophobicContact CE2-CZ2 4.48Å; Y93-W180 AromaticContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD2-CZ2 4.28Å; Y93-W180 AromaticContact CE1-CE2 3.84Å; Y93-W180 AromaticContact CE1-CZ2 3.54Å; Y93-W180 HydrophobicContact CE1-CZ2 3.54Å; Y93-W180 AromaticContact CE1-NE1 3.58Å; Y93-W180 HydrophobicContact CE2-CZ2 4.07Å; Y93-W180 HydrophobicContact CG-CZ2 4.12Å; Y93-W180 AromaticContact CZ-CE2 3.93Å; Y93-W180 AromaticContact CZ-CZ2 3.71Å; Y93-W180 AromaticContact CZ-NE1 3.52Å; Y93-W180 PolarHBondContact OH-NE1 3.27Å; A120-W180 HydrophobicContact CB-CH2 3.55Å; A120-W180 HydrophobicContact CB-CZ2 3.84Å; A120-W180 HydrophobicContact CB-CZ3 4.29Å; R176-W180 WeakPolarHBondContact O-CB 3.11Å; R176-W180 PolarHBondContact O-N 2.75Å; W180-F201 HydrophobicContact CE3-CB 4.12Å; W180-F201 HydrophobicContact CZ3-CB 3.83Å; W180-F201 HydrophobicContact CZ3-CG 4.41Å; W180-Y202 WeakPolarHBondContact O-CD2 3.29Å; W180-Y204 HydrophobicContact CE3-CD1 4.46Å; W180-Y204 HydrophobicContact CE3-CG 4.36Å; W180-Y204 HydrophobicContact CH2-CD1 4.18Å; W180-Y204 AromaticContact CZ3-CD1 3.63Å; W180-Y204 HydrophobicContact CZ3-CD1 3.63Å; W180-Y204 HydrophobicContact CZ3-CE1 4.43Å; W180-Y204 AromaticContact CZ3-CG 3.71Å; W180-Y204 HydrophobicContact CZ3-CG 3.71Å
181G98.1Very high96.6Very high20 Ų2044.8 Ų44.821%0.20623%0.234CC..  trans117.3145.3170.500000114E177 V198E177-G181 CarbonylContact O-C 3.56Å; E177-G181 VanDerWaalsContact O-C 3.26Å; E177-G181 VanDerWaalsContact O-CA 3.27Å; E177-G181 WeakPolarHBondContact O-CA 3.46Å; E177-G181 PolarHBondContact O-N 2.91Å; G181-V198 CarbonylContact C-O 3.55Å; G181-V198 VanDerWaalsContact CA-O 3.23Å; G181-V198 WeakPolarHBondContact CA-O 3.26Å
182Y98.3Very high95.9Very high9 Ų947.6 Ų47.64%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-138.7152.5169.866.7-87.7000110Q171 R173 E177 D184 T197 V198Q171-Y182 PolarHBondContact NE2-OH 3.07Å; Q171-Y182 PolarHBondContact OE1-OH 2.8Å; R173-Y182 HydrophobicContact CG-CD1 4.46Å; R173-Y182 HydrophobicContact CG-CE1 4.22Å; E177-Y182 HydrophobicContact CB-CD1 4.04Å; E177-Y182 HydrophobicContact CB-CG 4.26Å; Y182-D184 HydrophobicContact CE2-CB 3.95Å; Y182-D184 PolarHBondContact O-N 2.69Å; Y182-T197 CarbonylContact O-C 3.5Å; Y182-T197 VanDerWaalsContact O-CA 3.28Å; Y182-T197 WeakPolarHBondContact O-CA 3.4Å; Y182-V198 HydrophobicContact CD1-CG2 4.2Å; Y182-V198 VanDerWaalsContact CD1-O 3.3Å; Y182-V198 WeakPolarHBondContact CD1-O 3.35Å; Y182-V198 HydrophobicContact CD2-CG2 4.32Å; Y182-V198 HydrophobicContact CE1-CG2 3.53Å; Y182-V198 HydrophobicContact CE2-CG2 3.65Å; Y182-V198 PolarHBondContact N-O 3.02Å; Y182-V198 PolarHBondContact O-N 3.26Å; Y182-V198 WeakPolarHBondContact OH-CG2 3Å
183K97.8Very high95.3Very high158 Ų15850.2 Ų50.269%0.68726%0.262SS*.EExtended strand (participates in β ladder)trans-72.4115.2171.4-75-174.5176.9-1790109.2
184D97.9Very high94.8Very high0 Ų049.8 Ų49.80%026%0.263CS..  trans-75.4126.8180-174.6-89.8000110.7A141 Y182 F186 L187 S188 T196 V198A141-D184 HydrophobicContact CB-CB 4.27Å; A141-D184 VanDerWaalsContact CB-CG 3.49Å; A141-D184 WeakPolarHBondContact CB-OD2 3.49Å; Y182-D184 HydrophobicContact CE2-CB 3.95Å; Y182-D184 PolarHBondContact O-N 2.69Å; D184-F186 VanDerWaalsContact C-N 3.28Å; D184-F186 PolarHBondContact O-N 2.96Å; D184-F186 WeakPolarHBondContact OD1-CA 3.29Å; D184-F186 VanDerWaalsContact OD1-CB 3.23Å; D184-F186 WeakPolarHBondContact OD1-CB 3.22Å; D184-F186 PolarHBondContact OD1-N 2.78Å; D184-L187 HydrophobicContact CB-CB 4.04Å; D184-L187 HydrophobicContact CB-CD1 3.98Å; D184-L187 HydrophobicContact CB-CG 3.92Å; D184-L187 PolarHBondContact O-N 3.22Å; D184-L187 PolarHBondContact OD1-N 2.85Å; D184-S188 WeakPolarHBondContact O-CB 3.26Å; D184-S188 PolarHBondContact O-N 3.14Å; D184-S188 PolarHBondContact O-OG 3.24Å; D184-T196 PolarHBondContact N-O 2.86Å; D184-V198 HydrophobicContact CB-CG2 4.04Å
185P96.5Very high94.5Very high53 Ų5353.2 Ų53.234%0.34429%0.286SS..THydrogen-bonded Turntrans-68.8-28-175.428.3-35.3000112.3S165 L189S165-P185 WeakPolarHBondContact CB-O 3.49Å; P185-L189 WeakPolarHBondContact O-CG 3.36Å
186F95.2Very high94.3Very high0 Ų055.2 Ų55.20%030%0.298CS..THydrogen-bonded Turntrans-74.2-49.8174.9145.7-119.3000110.6A141 V142 A145 L158 L161 I162 S165 S167 D184 S188 L189 V190A141-F186 HydrophobicContact CB-CD1 3.89Å; A141-F186 HydrophobicContact CB-CE1 4.21Å; V142-F186 HydrophobicContact CG2-CD1 4.32Å; A145-F186 HydrophobicContact CB-CE1 3.89Å; A145-F186 HydrophobicContact CB-CZ 3.88Å; L158-F186 HydrophobicContact CB-CE2 4.27Å; L158-F186 HydrophobicContact CB-CZ 4.35Å; L158-F186 HydrophobicContact CD2-CE2 3.91Å; L158-F186 HydrophobicContact CD2-CZ 3.86Å; L161-F186 HydrophobicContact CB-CD2 3.92Å; L161-F186 HydrophobicContact CB-CE2 4.12Å; I162-F186 HydrophobicContact CB-CD2 4.44Å; I162-F186 HydrophobicContact CD1-CE1 4.48Å; I162-F186 HydrophobicContact CD1-CE2 4.23Å; I162-F186 HydrophobicContact CD1-CZ 4.18Å; I162-F186 HydrophobicContact CG1-CB 4.47Å; I162-F186 HydrophobicContact CG1-CD1 4.16Å; I162-F186 HydrophobicContact CG1-CD2 3.49Å; I162-F186 VanDerWaalsContact CG1-CD2 3.49Å; I162-F186 HydrophobicContact CG1-CE1 4.24Å; I162-F186 HydrophobicContact CG1-CE2 3.61Å; I162-F186 HydrophobicContact CG1-CG 3.78Å; I162-F186 HydrophobicContact CG1-CZ 3.97Å; S165-F186 WeakPolarHBondContact OG-CA 3.48Å; S165-F186 WeakPolarHBondContact OG-CB 3.32Å; S167-F186 WeakPolarHBondContact OG-CB 3.43Å; D184-F186 VanDerWaalsContact C-N 3.28Å; D184-F186 PolarHBondContact O-N 2.96Å; D184-F186 WeakPolarHBondContact OD1-CA 3.29Å; D184-F186 VanDerWaalsContact OD1-CB 3.23Å; D184-F186 WeakPolarHBondContact OD1-CB 3.22Å; D184-F186 PolarHBondContact OD1-N 2.78Å; F186-S188 PolarHBondContact O-N 2.63Å; F186-L189 PolarHBondContact O-N 2.75Å; F186-L189 VanDerWaalsContact O-N 3.08Å; F186-V190 HydrophobicContact CE2-CG2 4.34Å
187L94.9Very high94.3Very high19 Ų1949.7 Ų49.710%0.09928%0.281CS..G310 helixtrans-63.2-32.2179.6-60.1-178.6000112.1A141 D184 L189 V190 I194 T196 V198A141-L187 HydrophobicContact CB-CD1 3.8Å; A141-L187 HydrophobicContact CB-CD2 4.12Å; A141-L187 HydrophobicContact CB-CG 3.78Å; D184-L187 HydrophobicContact CB-CB 4.04Å; D184-L187 HydrophobicContact CB-CD1 3.98Å; D184-L187 HydrophobicContact CB-CG 3.92Å; D184-L187 PolarHBondContact O-N 3.22Å; D184-L187 PolarHBondContact OD1-N 2.85Å; L187-L189 PolarHBondContact O-N 3.38Å; L187-V190 WeakPolarHBondContact O-CB 3.22Å; L187-V190 WeakPolarHBondContact O-CG2 3.27Å; L187-V190 PolarHBondContact O-N 3.48Å; L187-I194 HydrophobicContact CB-CD1 4.1Å; L187-I194 HydrophobicContact CD2-CD1 3.77Å; L187-I194 HydrophobicContact CG-CD1 4.42Å; L187-T196 HydrophobicContact CB-CG2 4.33Å; L187-V198 HydrophobicContact CD1-CG1 3.49Å; L187-V198 VanDerWaalsContact CD1-CG1 3.49Å
188S95.2Very high94.2Very high62 Ų6248.2 Ų48.243%0.43428%0.275SS..G310 helixtrans-64.4-17.5176.8-60.30000114D184 F186D184-S188 WeakPolarHBondContact O-CB 3.26Å; D184-S188 PolarHBondContact O-N 3.14Å; D184-S188 PolarHBondContact O-OG 3.24Å; F186-S188 PolarHBondContact O-N 2.63Å
189L94.9Very high94.2Very high64 Ų6449 Ų4934%0.33528%0.284SS..G310 helixtrans-93.2-3.5176-62.2177000113.2L161 K164 P185 F186 L187L161-L189 HydrophobicContact CB-CB 4.42Å; L161-L189 HydrophobicContact CD2-CB 4.05Å; K164-L189 HydrophobicContact CB-CD1 4.07Å; K164-L189 HydrophobicContact CD-CD1 4.18Å; K164-L189 HydrophobicContact CG-CD1 4Å; P185-L189 WeakPolarHBondContact O-CG 3.36Å; F186-L189 PolarHBondContact O-N 2.75Å; F186-L189 VanDerWaalsContact O-N 3.08Å; L187-L189 PolarHBondContact O-N 3.38Å
190V90.6Very high94.1Very high17 Ų1750.7 Ų50.710%0.10329%0.294CS..  trans-73.2125.5-178.2177.40000109.6L161 F186 L187 Y192 I194L161-V190 HydrophobicContact CD1-CB 4.42Å; L161-V190 HydrophobicContact CD1-CG2 3.86Å; F186-V190 HydrophobicContact CE2-CG2 4.34Å; L187-V190 WeakPolarHBondContact O-CB 3.22Å; L187-V190 WeakPolarHBondContact O-CG2 3.27Å; L187-V190 PolarHBondContact O-N 3.48Å; V190-Y192 VanDerWaalsContact C-N 3.27Å; V190-Y192 HydrophobicContact CG1-CD1 3.55Å; V190-Y192 HydrophobicContact CG1-CD2 3.81Å; V190-Y192 HydrophobicContact CG1-CE1 3.25Å; V190-Y192 HydrophobicContact CG1-CE2 3.52Å; V190-Y192 HydrophobicContact CG1-CG 3.81Å; V190-Y192 PolarHBondContact O-N 3.36Å; V190-I194 HydrophobicContact CB-CD1 3.69Å; V190-I194 HydrophobicContact CB-CG1 4.08Å; V190-I194 HydrophobicContact CG1-CD1 3.74Å; V190-I194 HydrophobicContact CG1-CG1 4.03Å; V190-I194 HydrophobicContact CG2-CD1 3.75Å
191P84.8Confident94.1Very high111 Ų11150.2 Ų50.272%0.72129%0.293SS*.SBendtrans-79.4-4.8-169.831-36.4000114.5
192Y82.2Confident94.1Very high81 Ų8154.5 Ų54.532%0.31830%0.304SS..SBendtrans-112.1151.3178.252.5-92.4000110.5Y149 V190 I194Y149-Y192 HydrophobicContact CE1-CE2 4.44Å; V190-Y192 VanDerWaalsContact C-N 3.27Å; V190-Y192 HydrophobicContact CG1-CD1 3.55Å; V190-Y192 HydrophobicContact CG1-CD2 3.81Å; V190-Y192 HydrophobicContact CG1-CE1 3.25Å; V190-Y192 HydrophobicContact CG1-CE2 3.52Å; V190-Y192 HydrophobicContact CG1-CG 3.81Å; V190-Y192 PolarHBondContact O-N 3.36Å; Y192-I194 HydrophobicContact CD2-CG2 3.48Å; Y192-I194 VanDerWaalsContact CD2-CG2 3.48Å; Y192-I194 HydrophobicContact CE2-CG2 3.38Å; Y192-I194 PolarHBondContact O-N 3.06Å
193P86.6Confident94Very high139 Ų13958 Ų5890%0.90333%0.328SS*.  trans-66.3104.3-171.925.2-33.9000111.2
194I88.6Confident93.9Very high35 Ų3551.6 Ų51.618%0.17930%0.3CS..  trans-128.4154.2171.659.2165.5000110.9L187 V190 Y192 T196L187-I194 HydrophobicContact CB-CD1 4.1Å; L187-I194 HydrophobicContact CD2-CD1 3.77Å; L187-I194 HydrophobicContact CG-CD1 4.42Å; V190-I194 HydrophobicContact CB-CD1 3.69Å; V190-I194 HydrophobicContact CB-CG1 4.08Å; V190-I194 HydrophobicContact CG1-CD1 3.74Å; V190-I194 HydrophobicContact CG1-CG1 4.03Å; V190-I194 HydrophobicContact CG2-CD1 3.75Å; Y192-I194 HydrophobicContact CD2-CG2 3.48Å; Y192-I194 VanDerWaalsContact CD2-CG2 3.48Å; Y192-I194 HydrophobicContact CE2-CG2 3.38Å; Y192-I194 PolarHBondContact O-N 3.06Å; I194-T196 PolarHBondContact O-N 2.86Å
195P91.4Very high93.8Very high98 Ų9855.4 Ų55.464%0.63632%0.32SS*.  trans-59121.4166.6-21.733.5000110.4
196T95.6Very high93.6Very high43 Ų4361 Ų6126%0.26435%0.347SS..  trans-97-17.3179.756.90000113D184 L187 I194D184-T196 PolarHBondContact N-O 2.86Å; L187-T196 HydrophobicContact CB-CG2 4.33Å; I194-T196 PolarHBondContact O-N 2.86Å
197T97.3Very high93.7Very high32 Ų3263 Ų6320%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-85127.6174.4-530000110.1Y182 Y202Y182-T197 CarbonylContact O-C 3.5Å; Y182-T197 VanDerWaalsContact O-CA 3.28Å; Y182-T197 WeakPolarHBondContact O-CA 3.4Å; T197-Y202 HydrophobicContact CG2-CD1 3.79Å; T197-Y202 HydrophobicContact CG2-CD2 3.87Å; T197-Y202 HydrophobicContact CG2-CE1 3.57Å; T197-Y202 HydrophobicContact CG2-CE2 3.64Å; T197-Y202 HydrophobicContact CG2-CG 3.93Å; T197-Y202 VanDerWaalsContact CG2-CZ 3.47Å
198V97.3Very high93.8Very high22 Ų2264.6 Ų64.613%0.13338%0.375CS..EExtended strand (participates in β ladder)trans-127.6142.7177.7-58.90000110.1G181 Y182 D184 L187G181-V198 CarbonylContact C-O 3.55Å; G181-V198 VanDerWaalsContact CA-O 3.23Å; G181-V198 WeakPolarHBondContact CA-O 3.26Å; Y182-V198 HydrophobicContact CD1-CG2 4.2Å; Y182-V198 VanDerWaalsContact CD1-O 3.3Å; Y182-V198 WeakPolarHBondContact CD1-O 3.35Å; Y182-V198 HydrophobicContact CD2-CG2 4.32Å; Y182-V198 HydrophobicContact CE1-CG2 3.53Å; Y182-V198 HydrophobicContact CE2-CG2 3.65Å; Y182-V198 PolarHBondContact N-O 3.02Å; Y182-V198 PolarHBondContact O-N 3.26Å; Y182-V198 WeakPolarHBondContact OH-CG2 3Å; D184-V198 HydrophobicContact CB-CG2 4.04Å; L187-V198 HydrophobicContact CD1-CG1 3.49Å; L187-V198 VanDerWaalsContact CD1-CG1 3.49Å
199G97.6Very high93.9Very high18 Ų1862.9 Ų62.919%0.18636%0.361CS..  trans-173157.5177.900000109.4L178 F201L178-G199 CarbonylContact O-C 3.58Å; L178-G199 WeakPolarHBondContact O-CA 3.24Å; G199-F201 VanDerWaalsContact C-N 3.33Å; G199-F201 PolarHBondContact O-N 3.36Å
200V97.9Very high93.9Very high35 Ų3560.5 Ų60.521%0.21235%0.352CS..SBendtrans-65.4-39.8-175.81770000111.4L140 L178 V389 I413 L414L140-V200 HydrophobicContact CD1-CG2 4.46Å; L178-V200 HydrophobicContact CD1-CG2 3.72Å; L178-V200 HydrophobicContact CG-CG2 4.28Å; L178-V200 PolarHBondContact O-N 3.04Å; V200-V389 HydrophobicContact CG1-CB 4.32Å; V200-V389 HydrophobicContact CG1-CG1 4.05Å; V200-V389 HydrophobicContact CG1-CG2 4.12Å; V200-I413 HydrophobicContact CG2-CG2 4.16Å; V200-L414 HydrophobicContact CB-CD2 4.3Å; V200-L414 HydrophobicContact CG1-CD2 4.16Å; V200-L414 HydrophobicContact CG2-CD2 4.04Å
201F97.7Very high94.3Very high38 Ų3863.1 Ų63.117%0.16737%0.368CS..SBendtrans-11317.2179.2-58.2-80.3000112.2F65 L179 W180 G199 P203 Y204 L414 L416F65-F201 HydrophobicContact CD1-CE2 4.17Å; F65-F201 HydrophobicContact CE1-CD2 4.23Å; F65-F201 AromaticContact CE1-CE2 3.34Å; F65-F201 HydrophobicContact CE1-CE2 3.34Å; F65-F201 AromaticContact CE1-CZ 3.57Å; F65-F201 HydrophobicContact CE1-CZ 3.57Å; F65-F201 HydrophobicContact CZ-CD2 4.28Å; F65-F201 AromaticContact CZ-CE2 3.82Å; F65-F201 HydrophobicContact CZ-CE2 3.82Å; F65-F201 HydrophobicContact CZ-CZ 4.21Å; L179-F201 HydrophobicContact CB-CD2 4.44Å; L179-F201 HydrophobicContact CD2-CD2 3.88Å; L179-F201 HydrophobicContact CD2-CE2 3.8Å; L179-F201 WeakPolarHBondContact O-CA 3.4Å; L179-F201 WeakPolarHBondContact O-CB 3.44Å; L179-F201 PolarHBondContact O-N 3.38Å; W180-F201 HydrophobicContact CE3-CB 4.12Å; W180-F201 HydrophobicContact CZ3-CB 3.83Å; W180-F201 HydrophobicContact CZ3-CG 4.41Å; G199-F201 VanDerWaalsContact C-N 3.33Å; G199-F201 PolarHBondContact O-N 3.36Å; F201-P203 CarbonylContact O-C 3.57Å; F201-Y204 HydrophobicContact CB-CD2 4.45Å; F201-Y204 VanDerWaalsContact O-CB 3.31Å; F201-Y204 WeakPolarHBondContact O-CB 3.32Å; F201-Y204 PolarHBondContact O-N 3.26Å; F201-L414 HydrophobicContact CE2-CD1 4.28Å; F201-L414 HydrophobicContact CE2-CD2 4.31Å; F201-L414 HydrophobicContact CZ-CD1 4.32Å; F201-L416 HydrophobicContact CE1-CD2 4.13Å; F201-L416 HydrophobicContact CZ-CD2 3.64Å
202Y96.9Very high94.9Very high111 Ų11158.5 Ų58.544%0.43534%0.336SS..  trans-82.1132.6180175.4-99.2000112.2W180 T197W180-Y202 WeakPolarHBondContact O-CD2 3.29Å; T197-Y202 HydrophobicContact CG2-CD1 3.79Å; T197-Y202 HydrophobicContact CG2-CD2 3.87Å; T197-Y202 HydrophobicContact CG2-CE1 3.57Å; T197-Y202 HydrophobicContact CG2-CE2 3.64Å; T197-Y202 HydrophobicContact CG2-CG 3.93Å; T197-Y202 VanDerWaalsContact CG2-CZ 3.47Å
203P96.8Very high95.7Very high83 Ų8356.4 Ų56.454%0.53933%0.329SS..SBendcis-76.5155.6-1532.9-35.2000112.2F201 T207F201-P203 CarbonylContact O-C 3.57Å; P203-T207 HydrophobicContact CB-CG2 3.89Å; P203-T207 HydrophobicContact CG-CG2 3.99Å
204Y96.8Very high96.3Very high22 Ų2250 Ų509%0.08629%0.287CS..  trans-127.9-70.8176.8-163.1-110.8000112.7R63 N118 A120 W180 F201 T207R63-Y204 PolarHBondContact NH1-OH 3.48Å; R63-Y204 PolarHBondContact NH2-OH 3.39Å; N118-Y204 HydrophobicContact CB-CD1 4.33Å; N118-Y204 HydrophobicContact CB-CD2 4.12Å; N118-Y204 HydrophobicContact CB-CE1 4.11Å; N118-Y204 HydrophobicContact CB-CE2 3.85Å; N118-Y204 HydrophobicContact CB-CG 4.32Å; N118-Y204 VanDerWaalsContact CB-O 3.23Å; N118-Y204 WeakPolarHBondContact CB-O 3.46Å; A120-Y204 HydrophobicContact CB-CD1 3.97Å; A120-Y204 HydrophobicContact CB-CE1 3.85Å; W180-Y204 HydrophobicContact CE3-CD1 4.46Å; W180-Y204 HydrophobicContact CE3-CG 4.36Å; W180-Y204 HydrophobicContact CH2-CD1 4.18Å; W180-Y204 AromaticContact CZ3-CD1 3.63Å; W180-Y204 HydrophobicContact CZ3-CD1 3.63Å; W180-Y204 HydrophobicContact CZ3-CE1 4.43Å; W180-Y204 AromaticContact CZ3-CG 3.71Å; W180-Y204 HydrophobicContact CZ3-CG 3.71Å; F201-Y204 HydrophobicContact CB-CD2 4.45Å; F201-Y204 VanDerWaalsContact O-CB 3.31Å; F201-Y204 WeakPolarHBondContact O-CB 3.32Å; F201-Y204 PolarHBondContact O-N 3.26Å; Y204-T207 WeakPolarHBondContact O-CB 3.22Å; Y204-T207 PolarHBondContact O-N 2.63Å; Y204-T207 PolarHBondContact O-OG1 3.03Å
205N94.1Very high96.7Very high80 Ų8050.2 Ų50.243%0.42829%0.287SS..THydrogen-bonded Turntrans-60.2148.8177.9-72.12.5000110.6G119 A120 T207G119-N205 WeakPolarHBondContact CA-OD1 3.23Å; A120-N205 PolarHBondContact N-OD1 2.97Å; N205-T207 PolarHBondContact O-N 3.01Å
206D93.6Very high97Very high171 Ų17145.8 Ų45.891%0.91426%0.258SS*.THydrogen-bonded Turntrans6220.6-178.1-48-49.5000114.2
207T96.7Very high97.1Very high43 Ų4344 Ų4426%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-113.1162.7170.474.60000110.5N118 P203 Y204 N205N118-T207 PolarHBondContact N-O 2.82Å; N118-T207 PolarHBondContact ND2-OG1 3.34Å; P203-T207 HydrophobicContact CB-CG2 3.89Å; P203-T207 HydrophobicContact CG-CG2 3.99Å; Y204-T207 WeakPolarHBondContact O-CB 3.22Å; Y204-T207 PolarHBondContact O-N 2.63Å; Y204-T207 PolarHBondContact O-OG1 3.03Å; N205-T207 PolarHBondContact O-N 3.01Å
208A97.1Very high97Very high51 Ų5148.5 Ų48.542%0.42126%0.264SS..EExtended strand (participates in β ladder)trans-134.4140.2171.300000110.6V115 Q116V115-A208 HydrophobicContact CB-CB 3.97Å; V115-A208 HydrophobicContact CG2-CB 4.02Å; Q116-A208 CarbonylContact O-C 3.2Å; Q116-A208 WeakPolarHBondContact O-CA 3.34Å
209D97.2Very high96.8Very high26 Ų2651.3 Ų51.314%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-89.4131.5172.6-17128.2000110.5Q116 Y212 Y230 S269Q116-D209 PolarHBondContact N-O 2.77Å; Q116-D209 PolarHBondContact O-N 2.99Å; D209-Y212 HydrophobicContact CB-CE2 4.3Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.42Å; D209-Y212 PolarHBondContact OD2-OH 3.3Å; D209-Y230 WeakPolarHBondContact OD1-CE2 3.27Å; D209-Y230 PolarHBondContact OD1-OH 3.09Å; D209-S269 VanDerWaalsContact OD2-CB 3.25Å; D209-S269 WeakPolarHBondContact OD2-CB 3.37Å; D209-S269 PolarHBondContact OD2-OG 3.01Å
210G95.1Very high96.8Very high14 Ų1453 Ų5314%0.14428%0.283CS..EExtended strand (participates in β ladder)trans138.5-166.5-175.500000112.8K231G210-K231 WeakPolarHBondContact O-CE 3.32Å; G210-K231 VanDerWaalsContact O-CG 3.27Å; G210-K231 WeakPolarHBondContact O-CG 3.35Å
211V98.1Very high96.7Very high73 Ų7352 Ų5244%0.44228%0.277SS..EExtended strand (participates in β ladder)cis-71.61364.4-175.80000111.9V115 K231V115-V211 HydrophobicContact CG1-CB 4.43Å; V115-V211 HydrophobicContact CG1-CG2 3.86Å; V211-K231 PolarHBondContact O-N 3.18Å
212Y98.6Very high96.6Very high13 Ų1354.4 Ų54.45%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-95.3132.5167.5-73.7-94000109S113 F114 D209 I227 Y230 F267 S269S113-Y212 CarbonylContact C-O 3.44Å; S113-Y212 WeakPolarHBondContact CA-O 3.06Å; F114-Y212 HydrophobicContact CE1-CG 4.11Å; F114-Y212 HydrophobicContact CE2-CD2 4.02Å; F114-Y212 HydrophobicContact CE2-CG 4.25Å; F114-Y212 HydrophobicContact CZ-CD1 4.46Å; F114-Y212 HydrophobicContact CZ-CD2 4.04Å; F114-Y212 AromaticContact CZ-CG 3.8Å; F114-Y212 HydrophobicContact CZ-CG 3.8Å; F114-Y212 PolarHBondContact N-O 3.49Å; F114-Y212 PolarHBondContact O-N 3.22Å; D209-Y212 HydrophobicContact CB-CE2 4.3Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.42Å; D209-Y212 PolarHBondContact OD2-OH 3.3Å; Y212-I227 HydrophobicContact CD1-CD1 4.16Å; Y212-I227 HydrophobicContact CD1-CG1 4.32Å; Y212-I227 HydrophobicContact CD1-CG2 4.49Å; Y212-I227 HydrophobicContact CE1-CD1 4.12Å; Y212-Y230 AromaticContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD2-CD2 4.13Å; Y212-Y230 HydrophobicContact CD2-CE2 4.28Å; Y212-Y230 AromaticContact CE1-CD2 3.56Å; Y212-Y230 HydrophobicContact CE1-CD2 3.56Å; Y212-Y230 HydrophobicContact CE1-CE2 4.04Å; Y212-Y230 HydrophobicContact CE1-CG 4.45Å; Y212-Y230 AromaticContact CE2-CD2 3.83Å; Y212-Y230 HydrophobicContact CE2-CD2 3.83Å; Y212-Y230 AromaticContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CG-CD2 4.13Å; Y212-Y230 AromaticContact CZ-CD2 3.53Å; Y212-Y230 AromaticContact CZ-CE2 3.49Å; Y212-Y230 VanDerWaalsContact CZ-CE2 3.49Å; Y212-F267 HydrophobicContact CE1-CD1 4.08Å; Y212-F267 HydrophobicContact CE1-CE1 4.15Å; Y212-S269 PolarHBondContact OH-OG 3.11Å
213K98.5Very high96.7Very high37 Ų3752.5 Ų52.516%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-112.1117.6165.1-172.7174.1-173.7175.30107D106 D109 T111 D228 S229D106-K213 IonicContact OD2-NZ 2.74Å; D106-K213 PolarHBondContact OD2-NZ 2.64Å; D109-K213 IonicContact OD2-NZ 2.89Å; D109-K213 PolarHBondContact OD2-NZ 2.83Å; T111-K213 HydrophobicContact CG2-CG 4.21Å; T111-K213 WeakPolarHBondContact OG1-CE 3.27Å; K213-D228 HydrophobicContact CG-CB 4.45Å; K213-D228 WeakPolarHBondContact O-CB 3.5Å; K213-D228 PolarHBondContact O-N 3.32Å; K213-S229 WeakPolarHBondContact CB-OG 3.35Å; K213-S229 PolarHBondContact N-O 3.27Å; K213-S229 PolarHBondContact O-N 3.45Å; K213-S229 VanDerWaalsContact O-N 3.11Å
214V98.6Very high96.7Very high5 Ų548.9 Ų48.93%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-122.8149.1-177.8-54.20000110.5L44 W54 T111 V112 F114 I226 I227L44-V214 HydrophobicContact CD1-CG2 4.04Å; W54-V214 HydrophobicContact CZ2-CG2 4.19Å; T111-V214 CarbonylContact C-O 2.94Å; T111-V214 WeakPolarHBondContact CA-O 3.25Å; T111-V214 VanDerWaalsContact CB-O 3.23Å; T111-V214 WeakPolarHBondContact CB-O 3.46Å; V112-V214 HydrophobicContact CG1-CG2 3.5Å; V112-V214 VanDerWaalsContact CG1-CG2 3.5Å; V112-V214 PolarHBondContact N-O 3.39Å; V112-V214 PolarHBondContact O-N 3.25Å; F114-V214 HydrophobicContact CE1-CG1 3.95Å; F114-V214 HydrophobicContact CE1-CG2 4.32Å; V214-I226 CarbonylContact C-O 3.51Å; V214-I226 VanDerWaalsContact CA-O 3.28Å; V214-I226 WeakPolarHBondContact CA-O 3.41Å; V214-I226 WeakPolarHBondContact CB-O 3.28Å; V214-I227 HydrophobicContact CG1-CB 4.43Å; V214-I227 HydrophobicContact CG1-CG1 3.89Å
215F98.6Very high96.8Very high40 Ų4048 Ų4818%0.17526%0.259CS..EExtended strand (participates in β ladder)trans-67.5134.6173.5-63.6-76.4000110.3S110 T111 K223 A225 I226 D228S110-F215 WeakPolarHBondContact O-CA 3.37Å; T111-F215 HydrophobicContact CG2-CD1 3.69Å; T111-F215 HydrophobicContact CG2-CE1 3.99Å; T111-F215 HydrophobicContact CG2-CG 4.34Å; F215-K223 HydrophobicContact CB-CB 3.82Å; F215-K223 WeakPolarHBondContact CB-O 3.37Å; F215-K223 HydrophobicContact CD1-CD 4.35Å; F215-K223 HydrophobicContact CD2-CB 4.2Å; F215-K223 HydrophobicContact CG-CB 4.01Å; F215-K223 HydrophobicContact CG-CD 4.34Å; F215-A225 PolarHBondContact O-N 3.36Å; F215-I226 HydrophobicContact CD2-CB 4.23Å; F215-I226 HydrophobicContact CD2-CG2 4.44Å; F215-I226 WeakPolarHBondContact CD2-O 3.2Å; F215-I226 PolarHBondContact N-O 2.72Å; F215-D228 HydrophobicContact CD2-CB 4.26Å; F215-D228 HydrophobicContact CE1-CB 4.35Å; F215-D228 HydrophobicContact CE2-CB 3.7Å; F215-D228 HydrophobicContact CZ-CB 3.75Å
216N97.4Very high97Very high5 Ų546.3 Ų46.33%0.02725%0.249CC..  trans-84.2-12.8-178.667.217.4000113V43 L44 Q105 S110 V112 K218 V224V43-N216 WeakPolarHBondContact CG1-O 3.35Å; L44-N216 HydrophobicContact CB-CB 4.09Å; L44-N216 PolarHBondContact N-O 3.08Å; Q105-N216 PolarHBondContact OE1-ND2 3.43Å; S110-N216 VanDerWaalsContact C-CG 3.48Å; S110-N216 VanDerWaalsContact O-CG 3.28Å; S110-N216 PolarHBondContact O-N 2.87Å; S110-N216 PolarHBondContact O-OD1 3.17Å; S110-N216 VanDerWaalsContact O-OD1 3.05Å; V112-N216 HydrophobicContact CG1-CB 4.37Å; N216-K218 WeakPolarHBondContact OD1-CB 3.5Å; N216-K218 PolarHBondContact OD1-N 2.85Å; N216-V224 WeakPolarHBondContact O-CG2 3.23Å
217G97.1Very high97.3Very high4 Ų438.5 Ų38.54%0.04121%0.207CC..SBendtrans83.69.3177.100000115.1I221G217-I221 PolarHBondContact O-N 2.76Å
218K94.7Very high97.3Very high128 Ų12837.4 Ų37.456%0.55720%0.2SC*.SBendtrans-73.2-36.8-179.3-168.4171-174.3165.50112.6V43 E45 N216V43-K218 HydrophobicContact CG1-CB 4.19Å; E45-K218 IonicContact OE1-NZ 2.89Å; E45-K218 PolarHBondContact OE1-NZ 3.36Å; E45-K218 IonicContact OE2-NZ 2.82Å; N216-K218 WeakPolarHBondContact OD1-CB 3.5Å; N216-K218 PolarHBondContact OD1-N 2.85Å
219D94.6Very high97.4Very high81 Ų8135.7 Ų35.743%0.43319%0.185SC..SBendtrans-76.9-50.8173.566.5-46000111.3S110 K223S110-D219 WeakPolarHBondContact CB-OD1 3.16Å; D219-K223 IonicContact OD2-NZ 3.12Å; D219-K223 PolarHBondContact OD2-NZ 2.78Å
220D96Very high97.4Very high53 Ų5335.3 Ų35.328%0.28318%0.182SC..  trans-143.5110.6-176.5179.76.6000109.6N222 K223D220-N222 PolarHBondContact O-N 2.78Å; D220-N222 VanDerWaalsContact O-N 3.1Å; D220-N222 VanDerWaalsContact OD1-CB 3.29Å; D220-N222 WeakPolarHBondContact OD1-CB 3.47Å; D220-N222 PolarHBondContact OD1-N 3.11Å; D220-N222 PolarHBondContact OD1-ND2 2.85Å; D220-K223 HydrophobicContact CB-CD 4.15Å; D220-K223 HydrophobicContact CB-CG 4.19Å; D220-K223 WeakPolarHBondContact O-CB 3.36Å; D220-K223 PolarHBondContact O-N 2.56Å
221I96.2Very high97.6Very high15 Ų1540.3 Ų40.38%0.07720%0.199CC..G310 helixtrans-62.3-21.3-178.5-155.762.3000112.6K39 V42 V43 G217 K223 V224 P256K39-I221 HydrophobicContact CB-CG1 4.41Å; K39-I221 HydrophobicContact CD-CG2 4.2Å; K39-I221 HydrophobicContact CG-CB 4.49Å; K39-I221 HydrophobicContact CG-CG1 4.29Å; K39-I221 HydrophobicContact CG-CG2 4.05Å; K39-I221 VanDerWaalsContact O-CD1 3.29Å; K39-I221 WeakPolarHBondContact O-CD1 3.42Å; V42-I221 HydrophobicContact CG2-CD1 3.55Å; V42-I221 HydrophobicContact CG2-CG1 3.78Å; V43-I221 HydrophobicContact CG2-CD1 3.78Å; G217-I221 PolarHBondContact O-N 2.76Å; I221-K223 PolarHBondContact O-N 2.93Å; I221-V224 HydrophobicContact CD1-CB 4.37Å; I221-V224 HydrophobicContact CD1-CG1 4.49Å; I221-V224 VanDerWaalsContact O-CG1 3.25Å; I221-V224 WeakPolarHBondContact O-CG1 3.44Å; I221-V224 PolarHBondContact O-N 3.21Å; I221-P256 HydrophobicContact CG1-CG 3.73Å; I221-P256 HydrophobicContact CG2-CG 4.37Å
222N96.8Very high97.5Very high88 Ų8840.2 Ų40.247%0.47121%0.213SC..G310 helixtrans-70.3-11.1176.2-60-61.4000112.9D220 P255D220-N222 PolarHBondContact O-N 2.78Å; D220-N222 VanDerWaalsContact O-N 3.1Å; D220-N222 VanDerWaalsContact OD1-CB 3.29Å; D220-N222 WeakPolarHBondContact OD1-CB 3.47Å; D220-N222 PolarHBondContact OD1-N 3.11Å; D220-N222 PolarHBondContact OD1-ND2 2.85Å; N222-P255 WeakPolarHBondContact O-CB 3Å; N222-P255 WeakPolarHBondContact O-CG 3.34Å
223K97.6Very high97.5Very high71 Ų7145.2 Ų45.231%0.30924%0.235SC..G310 helixtrans-100.3-10176.7-59.6179.9-164.5158.10113.8F215 D219 D220 I221 A225 I226F215-K223 HydrophobicContact CB-CB 3.82Å; F215-K223 WeakPolarHBondContact CB-O 3.37Å; F215-K223 HydrophobicContact CD1-CD 4.35Å; F215-K223 HydrophobicContact CD2-CB 4.2Å; F215-K223 HydrophobicContact CG-CB 4.01Å; F215-K223 HydrophobicContact CG-CD 4.34Å; D219-K223 IonicContact OD2-NZ 3.12Å; D219-K223 PolarHBondContact OD2-NZ 2.78Å; D220-K223 HydrophobicContact CB-CD 4.15Å; D220-K223 HydrophobicContact CB-CG 4.19Å; D220-K223 WeakPolarHBondContact O-CB 3.36Å; D220-K223 PolarHBondContact O-N 2.56Å; I221-K223 PolarHBondContact O-N 2.93Å; K223-A225 PolarHBondContact O-N 3.45Å; K223-I226 WeakPolarHBondContact O-CB 3.43Å; K223-I226 WeakPolarHBondContact O-CG1 3.25Å; K223-I226 PolarHBondContact O-N 3.19Å
224V98.1Very high97.4Very high6 Ų651.2 Ų51.24%0.03626%0.256CS..THydrogen-bonded Turntrans-50.9133.7-172.869.50000112V42 L44 N216 I221 I226 P255V42-V224 WeakPolarHBondContact O-CG2 3.36Å; L44-V224 HydrophobicContact CD1-CG2 4.39Å; L44-V224 HydrophobicContact CG-CG2 3.9Å; N216-V224 WeakPolarHBondContact O-CG2 3.23Å; I221-V224 HydrophobicContact CD1-CB 4.37Å; I221-V224 HydrophobicContact CD1-CG1 4.49Å; I221-V224 VanDerWaalsContact O-CG1 3.25Å; I221-V224 WeakPolarHBondContact O-CG1 3.44Å; I221-V224 PolarHBondContact O-N 3.21Å; V224-I226 PolarHBondContact O-N 2.87Å; V224-P255 HydrophobicContact CG1-CB 4.28Å
225A98.1Very high97.3Very high3 Ų354.6 Ų54.63%0.02528%0.275CS..THydrogen-bonded Turntrans62.1-1.2-176.500000116.5L44 F215 K223 I227 T249L44-A225 HydrophobicContact CD1-CB 4.12Å; F215-A225 PolarHBondContact O-N 3.36Å; K223-A225 PolarHBondContact O-N 3.45Å; A225-I227 PolarHBondContact O-N 2.88Å; A225-T249 HydrophobicContact CB-CG2 4.15Å; A225-T249 WeakPolarHBondContact O-CA 3.08Å; A225-T249 WeakPolarHBondContact O-CB 3.15Å
226I98.6Very high97.2Very high45 Ų4553.3 Ų53.323%0.23127%0.269CS..  trans-65.9135171.7-61.5-176.6000108.4V214 F215 K223 V224 D228 G248 T249 P255V214-I226 CarbonylContact C-O 3.51Å; V214-I226 VanDerWaalsContact CA-O 3.28Å; V214-I226 WeakPolarHBondContact CA-O 3.41Å; V214-I226 WeakPolarHBondContact CB-O 3.28Å; F215-I226 HydrophobicContact CD2-CB 4.23Å; F215-I226 HydrophobicContact CD2-CG2 4.44Å; F215-I226 WeakPolarHBondContact CD2-O 3.2Å; F215-I226 PolarHBondContact N-O 2.72Å; K223-I226 WeakPolarHBondContact O-CB 3.43Å; K223-I226 WeakPolarHBondContact O-CG1 3.25Å; K223-I226 PolarHBondContact O-N 3.19Å; V224-I226 PolarHBondContact O-N 2.87Å; I226-D228 PolarHBondContact O-N 2.76Å; I226-G248 WeakPolarHBondContact CA-O 3.47Å; I226-T249 HydrophobicContact CG1-CG2 3.96Å; I226-P255 HydrophobicContact CD1-CG 4.12Å; I226-P255 HydrophobicContact CG1-CG 4.21Å
227I98.7Very high97.2Very high7 Ų755.9 Ų55.94%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-75.6118.1-178.3-59.4160.6000108.8Y212 V214 A225 S229 I246 G248 F267Y212-I227 HydrophobicContact CD1-CD1 4.16Å; Y212-I227 HydrophobicContact CD1-CG1 4.32Å; Y212-I227 HydrophobicContact CD1-CG2 4.49Å; Y212-I227 HydrophobicContact CE1-CD1 4.12Å; V214-I227 HydrophobicContact CG1-CB 4.43Å; V214-I227 HydrophobicContact CG1-CG1 3.89Å; A225-I227 PolarHBondContact O-N 2.88Å; I227-S229 WeakPolarHBondContact CG2-O 3.4Å; I227-I246 HydrophobicContact CB-CG2 3.97Å; I227-I246 HydrophobicContact CD1-CG2 4.35Å; I227-I246 HydrophobicContact CG2-CG2 3.67Å; I227-G248 PolarHBondContact N-O 3.31Å; I227-F267 HydrophobicContact CD1-CB 3.77Å; I227-F267 HydrophobicContact CD1-CD1 3.96Å; I227-F267 HydrophobicContact CD1-CG 4.35Å
228D98.2Very high97.1Very high20 Ų2059 Ų5911%0.10730%0.299CS..EExtended strand (participates in β ladder)trans-77.2-47.5170.417453.9000110.2T111 K213 F215 I226 R234T111-D228 HydrophobicContact CG2-CB 4.43Å; K213-D228 HydrophobicContact CG-CB 4.45Å; K213-D228 WeakPolarHBondContact O-CB 3.5Å; K213-D228 PolarHBondContact O-N 3.32Å; F215-D228 HydrophobicContact CD2-CB 4.26Å; F215-D228 HydrophobicContact CE1-CB 4.35Å; F215-D228 HydrophobicContact CE2-CB 3.7Å; F215-D228 HydrophobicContact CZ-CB 3.75Å; I226-D228 PolarHBondContact O-N 2.76Å; D228-R234 VanDerWaalsContact O-CG 3.3Å; D228-R234 WeakPolarHBondContact O-CG 3.41Å; D228-R234 PolarHBondContact O-NE 2.68Å; D228-R234 IonicContact OD1-CZ 2.94Å; D228-R234 IonicContact OD1-NE 2.59Å; D228-R234 PolarHBondContact OD1-NE 2.92Å; D228-R234 IonicContact OD1-NH2 3.67Å; D228-R234 PolarHBondContact OD1-NH2 2.9Å; D228-R234 IonicContact OD2-NH2 3.48Å
229S98.1Very high97.3Very high15 Ų1554 Ų5411%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-151.2152.7174.963.60000113.1K213 I227 K233K213-S229 WeakPolarHBondContact CB-OG 3.35Å; K213-S229 PolarHBondContact N-O 3.27Å; K213-S229 PolarHBondContact O-N 3.45Å; K213-S229 VanDerWaalsContact O-N 3.11Å; I227-S229 WeakPolarHBondContact CG2-O 3.4Å; S229-K233 WeakPolarHBondContact CA-O 3.49Å; S229-K233 WeakPolarHBondContact CB-O 3.48Å
230Y98.5Very high97.3Very high18 Ų1857.5 Ų57.57%0.07129%0.29CS..EExtended strand (participates in β ladder)trans-122.8125.3171.3171.9-106.4000108.2D209 Y212 G232 K233 L236 F267D209-Y230 WeakPolarHBondContact OD1-CE2 3.27Å; D209-Y230 PolarHBondContact OD1-OH 3.09Å; Y212-Y230 AromaticContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD2-CD2 4.13Å; Y212-Y230 HydrophobicContact CD2-CE2 4.28Å; Y212-Y230 AromaticContact CE1-CD2 3.56Å; Y212-Y230 HydrophobicContact CE1-CD2 3.56Å; Y212-Y230 HydrophobicContact CE1-CE2 4.04Å; Y212-Y230 HydrophobicContact CE1-CG 4.45Å; Y212-Y230 AromaticContact CE2-CD2 3.83Å; Y212-Y230 HydrophobicContact CE2-CD2 3.83Å; Y212-Y230 AromaticContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CG-CD2 4.13Å; Y212-Y230 AromaticContact CZ-CD2 3.53Å; Y212-Y230 AromaticContact CZ-CE2 3.49Å; Y212-Y230 VanDerWaalsContact CZ-CE2 3.49Å; Y230-G232 PolarHBondContact O-N 3.33Å; Y230-K233 PolarHBondContact N-O 3.38Å; Y230-K233 PolarHBondContact O-N 2.9Å; Y230-K233 VanDerWaalsContact O-N 3.1Å; Y230-L236 HydrophobicContact CD1-CD2 4.27Å; Y230-F267 HydrophobicContact CD1-CE1 4.02Å; Y230-F267 HydrophobicContact CD1-CZ 4.1Å; Y230-F267 HydrophobicContact CD2-CE1 4.14Å; Y230-F267 HydrophobicContact CE1-CE1 4.28Å; Y230-F267 HydrophobicContact CE1-CZ 4.19Å; Y230-F267 HydrophobicContact CE2-CE1 4.39Å; Y230-F267 AromaticContact CG-CE1 3.94Å; Y230-F267 HydrophobicContact CG-CE1 3.94Å; Y230-F267 HydrophobicContact CG-CZ 4.47Å
231K97.5Very high97.3Very high120 Ų12058.9 Ų58.952%0.52230%0.304SS..THydrogen-bonded Turntrans53.140.3-174.6-64.6175.5174164.70112.5G210 V211 K233G210-K231 WeakPolarHBondContact O-CE 3.32Å; G210-K231 VanDerWaalsContact O-CG 3.27Å; G210-K231 WeakPolarHBondContact O-CG 3.35Å; V211-K231 PolarHBondContact O-N 3.18Å; K231-K233 PolarHBondContact O-N 3.36Å
232G97.3Very high97.3Very high70 Ų7062.5 Ų62.572%0.72232%0.317SS*.THydrogen-bonded Turntrans71.611.1178.300000114.9Y230Y230-G232 PolarHBondContact O-N 3.33Å
233K97.5Very high97.3Very high118 Ų11858.5 Ų58.551%0.51330%0.296SS..BIsolated β-bridgetrans-125.8147.9179-62-176.2177.6-176.40111.4S229 Y230 K231 N235 S237 I246S229-K233 WeakPolarHBondContact CA-O 3.49Å; S229-K233 WeakPolarHBondContact CB-O 3.48Å; Y230-K233 PolarHBondContact N-O 3.38Å; Y230-K233 PolarHBondContact O-N 2.9Å; Y230-K233 VanDerWaalsContact O-N 3.1Å; K231-K233 PolarHBondContact O-N 3.36Å; K233-N235 VanDerWaalsContact CB-O 3.31Å; K233-N235 WeakPolarHBondContact CB-O 3.31Å; K233-S237 PolarHBondContact NZ-OG 2.9Å; K233-I246 WeakPolarHBondContact O-CD1 3.37Å
234R96.9Very high97.3Very high163 Ų16355.8 Ų55.862%0.61529%0.285SS*.SBendtrans-88.7-14.4171.8-58.9-152168.7148.7-1.3113.6D228 I246D228-R234 VanDerWaalsContact O-CG 3.3Å; D228-R234 WeakPolarHBondContact O-CG 3.41Å; D228-R234 PolarHBondContact O-NE 2.68Å; D228-R234 IonicContact OD1-CZ 2.94Å; D228-R234 IonicContact OD1-NE 2.59Å; D228-R234 PolarHBondContact OD1-NE 2.92Å; D228-R234 IonicContact OD1-NH2 3.67Å; D228-R234 PolarHBondContact OD1-NH2 2.9Å; D228-R234 IonicContact OD2-NH2 3.48Å; R234-I246 WeakPolarHBondContact O-CB 3.39Å; R234-I246 PolarHBondContact O-N 3.13Å; R234-I246 VanDerWaalsContact O-N 3.07Å
235N97.3Very high97.3Very high77 Ų7759.1 Ų59.141%0.41230%0.301SS..BIsolated β-bridgetrans-126.1148.6177.2-65.6-6.3000110.2K233 S237 D244K233-N235 VanDerWaalsContact CB-O 3.31Å; K233-N235 WeakPolarHBondContact CB-O 3.31Å; N235-S237 PolarHBondContact O-N 3.18Å; N235-D244 CarbonylContact C-O 3.51Å; N235-D244 VanDerWaalsContact CA-O 3.25Å; N235-D244 WeakPolarHBondContact CA-O 3.29Å; N235-D244 HydrophobicContact CB-CB 4.47Å; N235-D244 WeakPolarHBondContact CB-OD2 3.5Å
236L96.2Very high97.3Very high12 Ų1259.7 Ų59.76%0.06330%0.303CS..  trans-78.8-19.6-170.2-63.3165000114.2Y230 Y238 D244 I246 F267 C272Y230-L236 HydrophobicContact CD1-CD2 4.27Å; L236-Y238 HydrophobicContact CB-CD2 3.59Å; L236-Y238 HydrophobicContact CB-CE2 4.09Å; L236-Y238 HydrophobicContact CB-CG 4.05Å; L236-Y238 HydrophobicContact CD1-CD2 4.38Å; L236-Y238 HydrophobicContact CD2-CE2 4.42Å; L236-Y238 HydrophobicContact CG-CD2 4.39Å; L236-Y238 PolarHBondContact O-N 2.73Å; L236-D244 WeakPolarHBondContact CB-OD1 3.36Å; L236-D244 PolarHBondContact N-O 2.01Å; L236-D244 PolarHBondContact N-OD2 2.64Å; L236-I246 HydrophobicContact CD2-CD1 3.92Å; L236-I246 HydrophobicContact CD2-CG1 3.76Å; L236-I246 HydrophobicContact CG-CD1 4.32Å; L236-I246 HydrophobicContact CG-CG1 3.85Å; L236-F267 HydrophobicContact CD1-CD2 4.42Å; L236-F267 HydrophobicContact CD1-CE2 3.82Å; L236-F267 HydrophobicContact CD2-CD2 4.45Å; L236-F267 HydrophobicContact CD2-CE2 3.51Å; L236-F267 HydrophobicContact CD2-CZ 3.6Å; L236-F267 HydrophobicContact CG-CE2 4.26Å; L236-C272 WeakPolarHBondContact CD1-O 3.48Å
237S96.1Very high97.3Very high60 Ų6060 Ų6042%0.4231%0.306SS..SBendtrans61.722.7-168.7-42.40000113.4K233 N235 D244 K332K233-S237 PolarHBondContact NZ-OG 2.9Å; N235-S237 PolarHBondContact O-N 3.18Å; S237-D244 VanDerWaalsContact CA-OD2 3.29Å; S237-D244 WeakPolarHBondContact CA-OD2 3.37Å; S237-D244 VanDerWaalsContact N-CG 3.28Å; S237-D244 PolarHBondContact N-OD1 3.16Å; S237-D244 PolarHBondContact N-OD2 3.37Å; S237-K332 WeakPolarHBondContact O-CE 3.04Å; S237-K332 PolarHBondContact O-NZ 3.34Å
238Y96.4Very high97.3Very high70 Ų7060.4 Ų60.428%0.27531%0.311SS..SBendtrans-104.5-41.6179.4-60.3-31.1000111.9L236 D244 C272 K332 C333L236-Y238 HydrophobicContact CB-CD2 3.59Å; L236-Y238 HydrophobicContact CB-CE2 4.09Å; L236-Y238 HydrophobicContact CB-CG 4.05Å; L236-Y238 HydrophobicContact CD1-CD2 4.38Å; L236-Y238 HydrophobicContact CD2-CE2 4.42Å; L236-Y238 HydrophobicContact CG-CD2 4.39Å; L236-Y238 PolarHBondContact O-N 2.73Å; Y238-D244 PolarHBondContact N-OD1 2.98Å; Y238-C272 HydrophobicContact CD2-CB 3.98Å; Y238-C272 HydrophobicContact CE2-CB 4.19Å; Y238-K332 HydrophobicContact CD1-CG 4.21Å; Y238-K332 WeakPolarHBondContact O-CD 3.48Å; Y238-K332 WeakPolarHBondContact O-CE 3.49Å; Y238-K332 PolarHBondContact O-NZ 3.42Å; Y238-C333 HydrophobicContact CD1-CB 4.22Å; Y238-C333 HydrophobicContact CD2-CB 3.81Å; Y238-C333 HydrophobicContact CE1-CB 3.94Å; Y238-C333 HydrophobicContact CE2-CB 3.5Å; Y238-C333 HydrophobicContact CG-CB 4.19Å
239W97.6Very high97.3Very high23 Ų2359.5 Ų59.59%0.08731%0.306CS..SBendtrans-109.1168.2-175.2-47.2101.4000111.2C243 D244 C272 F312 T314 L328 D329 I330W239-C243 HydrophobicContact CB-CB 3.63Å; W239-C243 HydrophobicContact CG-CB 4.23Å; W239-D244 HydrophobicContact CB-CB 4.09Å; W239-D244 PolarHBondContact N-OD1 3.26Å; W239-D244 WeakPolarHBondContact O-CB 3.39Å; W239-C272 PolarHBondContact NE1-O 3.46Å; W239-F312 HydrophobicContact CB-CE1 4.47Å; W239-F312 AromaticContact CD1-CE1 3.86Å; W239-F312 AromaticContact CD2-CD1 3.5Å; W239-F312 HydrophobicContact CD2-CD1 3.5Å; W239-F312 VanDerWaalsContact CD2-CD1 3.5Å; W239-F312 AromaticContact CD2-CE1 3.72Å; W239-F312 HydrophobicContact CD2-CE1 3.72Å; W239-F312 AromaticContact CE2-CD1 3.75Å; W239-F312 AromaticContact CE2-CE1 3.8Å; W239-F312 AromaticContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CE1 4.3Å; W239-F312 HydrophobicContact CE3-CG 4.5Å; W239-F312 AromaticContact CG-CD1 3.97Å; W239-F312 HydrophobicContact CG-CD1 3.97Å; W239-F312 AromaticContact CG-CE1 3.76Å; W239-F312 HydrophobicContact CG-CE1 3.76Å; W239-F312 HydrophobicContact CH2-CD1 4.1Å; W239-F312 HydrophobicContact CZ2-CD1 4.06Å; W239-F312 HydrophobicContact CZ2-CE1 4.39Å; W239-F312 HydrophobicContact CZ3-CB 4.42Å; W239-F312 AromaticContact CZ3-CD1 3.89Å; W239-F312 HydrophobicContact CZ3-CD1 3.89Å; W239-F312 AromaticContact NE1-CE1 3.89Å; W239-T314 HydrophobicContact CE3-CG2 4.5Å; W239-T314 HydrophobicContact CZ3-CG2 3.75Å; W239-L328 HydrophobicContact CH2-CD1 3.58Å; W239-L328 HydrophobicContact CH2-CD2 4.4Å; W239-L328 HydrophobicContact CH2-CG 3.95Å; W239-L328 HydrophobicContact CZ2-CD1 4.16Å; W239-L328 HydrophobicContact CZ2-CD2 4.32Å; W239-L328 HydrophobicContact CZ2-CG 4.36Å; W239-L328 HydrophobicContact CZ3-CD1 4.22Å; W239-D329 WeakPolarHBondContact CH2-O 3.18Å; W239-I330 HydrophobicContact CZ2-CG2 4.48Å
240E94.9Very high97.2Very high154 Ų15461 Ų6172%0.7231%0.313SS*.SBendtrans-89.8159170.8-64.2-17617700110.5C243 C311E240-C243 WeakPolarHBondContact O-CB 3.34Å; E240-C243 PolarHBondContact O-N 2.9Å; E240-C311 HydrophobicContact CB-CB 4.33Å; E240-C311 VanDerWaalsContact O-CB 3.25Å; E240-C311 WeakPolarHBondContact O-CB 3.49Å
241S96.1Very high97.2Very high81 Ų8160.8 Ų60.857%0.56632%0.315SS*.G310 helixtrans55.2-147171.9-166.20000113.2C243 D244S241-C243 PolarHBondContact O-N 3.16Å; S241-D244 PolarHBondContact O-N 3.24Å
242Y96.5Very high97.1Very high92 Ų9257.7 Ų57.736%0.36131%0.312SS..G310 helixtrans-68.8-14.6-178.956.7-101.9000114.1D244 M245 D308 H310Y242-D244 PolarHBondContact O-N 3.28Å; Y242-M245 WeakPolarHBondContact O-CB 3.47Å; Y242-M245 WeakPolarHBondContact O-CG 3.27Å; Y242-M245 PolarHBondContact O-N 3.12Å; Y242-D308 HydrophobicContact CE2-CB 4.45Å; Y242-D308 VanDerWaalsContact CE2-O 3.25Å; Y242-D308 WeakPolarHBondContact CE2-O 3.12Å; Y242-D308 WeakPolarHBondContact OH-CA 3.2Å; Y242-D308 PolarHBondContact OH-O 2.88Å; Y242-D308 VanDerWaalsContact OH-O 3.06Å; Y242-H310 AromaticContact CE1-CE1 3.87Å; Y242-H310 AromaticContact CZ-CE1 3.69Å; Y242-H310 PolarHBondContact OH-CE1 3.13Å; Y242-H310 PolarHBondContact OH-ND1 2.85Å
243C97.3Very high97.1Very high4 Ų455 Ų553%0.02728%0.282CS..G310 helixtrans-62.1-22.5174.8-72.30000112.3W239 E240 S241 M245 C311 F312W239-C243 HydrophobicContact CB-CB 3.63Å; W239-C243 HydrophobicContact CG-CB 4.23Å; E240-C243 WeakPolarHBondContact O-CB 3.34Å; E240-C243 PolarHBondContact O-N 2.9Å; S241-C243 PolarHBondContact O-N 3.16Å; C243-M245 VanDerWaalsContact C-N 3.34Å; C243-C311 HydrophobicContact CB-CB 3.67Å; C243-C311 WeakPolarHBondContact CB-SG 3.33Å; C243-C311 VanDerWaalsContact SG-CA 3.55Å; C243-C311 WeakPolarHBondContact SG-CB 3.37Å; C243-C311 CovalentContact SG-SG 2.02Å; C243-C311 PolarHBondContact SG-SG 3.28Å; C243-F312 HydrophobicContact CB-CD1 4.03Å; C243-F312 HydrophobicContact CB-CD2 4.13Å; C243-F312 HydrophobicContact CB-CE1 3.57Å; C243-F312 HydrophobicContact CB-CE2 3.67Å; C243-F312 HydrophobicContact CB-CG 4.28Å; C243-F312 HydrophobicContact CB-CZ 3.36Å; C243-F312 WeakPolarHBondContact O-CZ 3.48Å; C243-F312 WeakPolarHBondContact SG-CD2 3.14Å; C243-F312 WeakPolarHBondContact SG-CE2 3.34Å
244D97.9Very high97.2Very high13 Ų1349.7 Ų49.77%0.0726%0.259CS..G310 helixtrans-84.2-8.4-177.4-154.244.8000113.9N235 L236 S237 Y238 W239 S241 Y242N235-D244 CarbonylContact C-O 3.51Å; N235-D244 VanDerWaalsContact CA-O 3.25Å; N235-D244 WeakPolarHBondContact CA-O 3.29Å; N235-D244 HydrophobicContact CB-CB 4.47Å; N235-D244 WeakPolarHBondContact CB-OD2 3.5Å; L236-D244 WeakPolarHBondContact CB-OD1 3.36Å; L236-D244 PolarHBondContact N-O 2.01Å; L236-D244 PolarHBondContact N-OD2 2.64Å; S237-D244 VanDerWaalsContact CA-OD2 3.29Å; S237-D244 WeakPolarHBondContact CA-OD2 3.37Å; S237-D244 VanDerWaalsContact N-CG 3.28Å; S237-D244 PolarHBondContact N-OD1 3.16Å; S237-D244 PolarHBondContact N-OD2 3.37Å; Y238-D244 PolarHBondContact N-OD1 2.98Å; W239-D244 HydrophobicContact CB-CB 4.09Å; W239-D244 PolarHBondContact N-OD1 3.26Å; W239-D244 WeakPolarHBondContact O-CB 3.39Å; S241-D244 PolarHBondContact O-N 3.24Å; Y242-D244 PolarHBondContact O-N 3.28Å
245M98.1Very high97.2Very high77 Ų7742 Ų4238%0.37923%0.231SC..BIsolated β-bridgetrans-69.8137.9-176.4-65.3176.671.200112.1Y242 C243 S274Y242-M245 WeakPolarHBondContact O-CB 3.47Å; Y242-M245 WeakPolarHBondContact O-CG 3.27Å; Y242-M245 PolarHBondContact O-N 3.12Å; C243-M245 VanDerWaalsContact C-N 3.34Å; M245-S274 WeakPolarHBondContact O-CB 3.46Å; M245-S274 PolarHBondContact O-OG 2.86Å
246I98.4Very high97.2Very high14 Ų1438.5 Ų38.57%0.07221%0.212CC..  trans-86.2110.4167.9-62.3160.2000107.7I227 K233 R234 L236 F267 S274I227-I246 HydrophobicContact CB-CG2 3.97Å; I227-I246 HydrophobicContact CD1-CG2 4.35Å; I227-I246 HydrophobicContact CG2-CG2 3.67Å; K233-I246 WeakPolarHBondContact O-CD1 3.37Å; R234-I246 WeakPolarHBondContact O-CB 3.39Å; R234-I246 PolarHBondContact O-N 3.13Å; R234-I246 VanDerWaalsContact O-N 3.07Å; L236-I246 HydrophobicContact CD2-CD1 3.92Å; L236-I246 HydrophobicContact CD2-CG1 3.76Å; L236-I246 HydrophobicContact CG-CD1 4.32Å; L236-I246 HydrophobicContact CG-CG1 3.85Å; I246-F267 HydrophobicContact CG2-CB 3.99Å; I246-F267 HydrophobicContact CG2-CD1 4.29Å; I246-F267 HydrophobicContact CG2-CG 4.03Å; I246-S274 WeakPolarHBondContact CA-OG 3.42Å
247N97.9Very high97.1Very high53 Ų5341.4 Ų41.428%0.28322%0.224SC..  trans-122.1135.2-173-73.3-42000111.4R265 F266 F267 S274N247-R265 HydrophobicContact CB-CB 4.35Å; N247-F266 CarbonylContact O-C 3.44Å; N247-F266 VanDerWaalsContact O-CA 3.3Å; N247-F266 WeakPolarHBondContact O-CA 3.34Å; N247-F266 PolarHBondContact O-N 2.76Å; N247-F267 PolarHBondContact O-N 3.4Å; N247-S274 PolarHBondContact N-OG 2.89Å
248G98.1Very high97.2Very high14 Ų1438.8 Ų38.814%0.14421%0.206CC..SBendtrans79.5-154.9172.500000113.9I226 I227 R265I226-G248 WeakPolarHBondContact CA-O 3.47Å; I227-G248 PolarHBondContact N-O 3.31Å; G248-R265 VanDerWaalsContact CA-O 3.31Å; G248-R265 WeakPolarHBondContact CA-O 3.29Å
249T98.4Very high97.2Very high1 Ų141.5 Ų41.51%0.00622%0.221CC..BIsolated β-bridgetrans-95.9-168.6-174.371.30000111.9A225 I226 A251 S253 F254 R265 F266 F267A225-T249 HydrophobicContact CB-CG2 4.15Å; A225-T249 WeakPolarHBondContact O-CA 3.08Å; A225-T249 WeakPolarHBondContact O-CB 3.15Å; I226-T249 HydrophobicContact CG1-CG2 3.96Å; T249-A251 VanDerWaalsContact C-N 3.26Å; T249-A251 PolarHBondContact OG1-N 3.26Å; T249-S253 WeakPolarHBondContact CB-O 3.34Å; T249-S253 VanDerWaalsContact CG2-O 3.28Å; T249-S253 WeakPolarHBondContact CG2-O 3.25Å; T249-S253 PolarHBondContact OG1-O 2.59Å; T249-F254 HydrophobicContact CG2-CD1 4.27Å; T249-F254 WeakPolarHBondContact OG1-CE1 3Å; T249-R265 PolarHBondContact N-O 3.42Å; T249-F266 CarbonylContact O-C 3.56Å; T249-F266 VanDerWaalsContact O-CA 3.22Å; T249-F266 WeakPolarHBondContact O-CA 3.4Å; T249-F266 VanDerWaalsContact O-CB 3.28Å; T249-F266 WeakPolarHBondContact O-CB 3.36Å; T249-F267 PolarHBondContact O-N 3.09Å
250D96.9Very high97.3Very high48 Ų4844.5 Ų44.526%0.25723%0.234SC..  trans-86.68.5168.469.1-5.4000113.5A252D250-A252 PolarHBondContact O-N 2.64Å; D250-A252 VanDerWaalsContact OD1-CB 3.3Å; D250-A252 WeakPolarHBondContact OD1-CB 3.13Å; D250-A252 PolarHBondContact OD1-N 3.37Å
251A97.7Very high97.4Very high13 Ų1341.4 Ų41.411%0.10723%0.23CC..SBendtrans66.51.1-174.100000116.9T249 S253 F254 F266 L371 T380T249-A251 VanDerWaalsContact C-N 3.26Å; T249-A251 PolarHBondContact OG1-N 3.26Å; A251-S253 VanDerWaalsContact C-N 3.31Å; A251-F254 HydrophobicContact CB-CZ 4.02Å; A251-F266 HydrophobicContact CB-CB 3.84Å; A251-F266 HydrophobicContact CB-CD1 4.18Å; A251-F266 HydrophobicContact CB-CD2 3.73Å; A251-F266 HydrophobicContact CB-CE2 4.26Å; A251-F266 HydrophobicContact CB-CG 3.67Å; A251-L371 HydrophobicContact CB-CD1 4.12Å; A251-T380 PolarHBondContact O-OG1 3.29Å
252A96.4Very high97.4Very high54 Ų5441.3 Ų41.345%0.44622%0.217SC..SBendtrans-73.8-29.2172.100000111.8D250 T380D250-A252 PolarHBondContact O-N 2.64Å; D250-A252 VanDerWaalsContact OD1-CB 3.3Å; D250-A252 WeakPolarHBondContact OD1-CB 3.13Å; D250-A252 PolarHBondContact OD1-N 3.37Å; A252-T380 WeakPolarHBondContact O-CB 3.41Å; A252-T380 PolarHBondContact O-N 3.02Å; A252-T380 PolarHBondContact O-OG1 2.92Å
253S96.9Very high97.5Very high15 Ų1539.5 Ų39.511%0.10522%0.216CC..BIsolated β-bridgetrans-151.2161.2172.9570000110.3T249 A251 G378T249-S253 WeakPolarHBondContact CB-O 3.34Å; T249-S253 VanDerWaalsContact CG2-O 3.28Å; T249-S253 WeakPolarHBondContact CG2-O 3.25Å; T249-S253 PolarHBondContact OG1-O 2.59Å; A251-S253 VanDerWaalsContact C-N 3.31Å; S253-G378 CarbonylContact C-O 3.58Å; S253-G378 WeakPolarHBondContact CA-O 3.44Å
254F98.4Very high97.6Very high5 Ų539.4 Ų39.42%0.02222%0.215CC..  trans-129.7163175.5-62.5-81.3000109.1T249 A251 V258 L264 F266 L371 V373 G378T249-F254 HydrophobicContact CG2-CD1 4.27Å; T249-F254 WeakPolarHBondContact OG1-CE1 3Å; A251-F254 HydrophobicContact CB-CZ 4.02Å; F254-V258 HydrophobicContact CB-CG2 4.49Å; F254-L264 HydrophobicContact CB-CD2 4.4Å; F254-L264 HydrophobicContact CD1-CB 4.11Å; F254-L264 HydrophobicContact CD1-CD1 4.26Å; F254-L264 HydrophobicContact CD1-CD2 4.03Å; F254-L264 HydrophobicContact CD1-CG 4.37Å; F254-L264 HydrophobicContact CD2-CD1 3.87Å; F254-L264 HydrophobicContact CE1-CB 3.77Å; F254-L264 HydrophobicContact CE1-CD1 4.25Å; F254-L264 HydrophobicContact CE1-CG 4.41Å; F254-L264 HydrophobicContact CE2-CD1 3.86Å; F254-L264 HydrophobicContact CG-CD1 4.07Å; F254-L264 HydrophobicContact CG-CD2 4.13Å; F254-L264 HydrophobicContact CZ-CB 4.09Å; F254-L264 HydrophobicContact CZ-CD1 4.05Å; F254-F266 HydrophobicContact CE1-CB 4.33Å; F254-F266 HydrophobicContact CE1-CD1 4.31Å; F254-F266 HydrophobicContact CZ-CD1 4.2Å; F254-L371 HydrophobicContact CE2-CD1 4.03Å; F254-L371 HydrophobicContact CZ-CD1 3.82Å; F254-V373 HydrophobicContact CD2-CG1 4.07Å; F254-V373 HydrophobicContact CD2-CG2 3.92Å; F254-V373 HydrophobicContact CE2-CG2 3.84Å; F254-G378 PolarHBondContact N-O 3.32Å; F254-G378 WeakPolarHBondContact O-CA 3.41Å
255P98Very high97.6Very high3 Ų345.5 Ų45.52%0.01924%0.237CC..  trans-55.8143.3171.7-24.533.8000111.9N222 V224 I226 V258N222-P255 WeakPolarHBondContact O-CB 3Å; N222-P255 WeakPolarHBondContact O-CG 3.34Å; V224-P255 HydrophobicContact CG1-CB 4.28Å; I226-P255 HydrophobicContact CD1-CG 4.12Å; I226-P255 HydrophobicContact CG1-CG 4.21Å; P255-V258 WeakPolarHBondContact O-CG2 3.48Å
256P96.4Very high97.6Very high2 Ų242.7 Ų42.71%0.01322%0.222CC..SBendtrans-64.8172.2-172.230.1-38.7000112.6I38 V42 I221 I376I38-P256 HydrophobicContact CG2-CB 4.27Å; V42-P256 HydrophobicContact CG2-CB 4.27Å; V42-P256 HydrophobicContact CG2-CG 3.9Å; I221-P256 HydrophobicContact CG1-CG 3.73Å; I221-P256 HydrophobicContact CG2-CG 4.37Å; P256-I376 WeakPolarHBondContact CB-O 3.17Å
257F95.6Very high97.6Very high73 Ų7342.3 Ų42.332%0.3222%0.22SC..SBendtrans57.352.4180-41.8-70.7000112.3E35 I38 K39 E259 P375 I376E35-F257 HydrophobicContact CB-CZ 4.23Å; E35-F257 HydrophobicContact CG-CE1 3.88Å; E35-F257 HydrophobicContact CG-CE2 3.87Å; E35-F257 HydrophobicContact CG-CZ 3.4Å; I38-F257 HydrophobicContact CB-CE1 4.41Å; I38-F257 HydrophobicContact CB-CZ 3.98Å; I38-F257 HydrophobicContact CG2-CE1 4.15Å; I38-F257 HydrophobicContact CG2-CE2 4.48Å; I38-F257 HydrophobicContact CG2-CZ 3.75Å; K39-F257 HydrophobicContact CD-CE2 4.41Å; K39-F257 HydrophobicContact CG-CE2 3.79Å; K39-F257 HydrophobicContact CG-CZ 4.19Å; F257-E259 PolarHBondContact O-N 2.54Å; F257-P375 CarbonylContact C-O 3.53Å; F257-P375 WeakPolarHBondContact CA-O 3.37Å; F257-P375 PolarHBondContact N-O 3.25Å; F257-I376 HydrophobicContact CE1-CG2 4.27Å; F257-I376 PolarHBondContact N-O 3.07Å; F257-I376 VanDerWaalsContact N-O 3.07Å
258V97.6Very high97.6Very high6 Ų640.6 Ų40.64%0.03621%0.212CC..  trans-70.2124.4-179.7-179.90000110.4F254 P255 L264 Y291 F293 V373 P375F254-V258 HydrophobicContact CB-CG2 4.49Å; P255-V258 WeakPolarHBondContact O-CG2 3.48Å; V258-L264 HydrophobicContact CG1-CD2 4.07Å; V258-Y291 WeakPolarHBondContact O-CE2 3.47Å; V258-F293 HydrophobicContact CG1-CE2 3.87Å; V258-F293 HydrophobicContact CG1-CZ 3.63Å; V258-V373 HydrophobicContact CG2-CG1 4.32Å; V258-P375 PolarHBondContact N-O 3.3Å
259E97.1Very high97.6Very high126 Ų12641 Ų4159%0.58921%0.213SC*.  trans-90.2153.8172.9-62.9179.3-166.100112.3F257 S261 R262F257-E259 PolarHBondContact O-N 2.54Å; E259-S261 PolarHBondContact O-N 3.31Å; E259-S261 PolarHBondContact OE2-OG 2.85Å; E259-S261 VanDerWaalsContact OE2-OG 3.05Å; E259-R262 HydrophobicContact CB-CB 4.41Å; E259-R262 VanDerWaalsContact O-CB 3.27Å; E259-R262 WeakPolarHBondContact O-CB 3.33Å; E259-R262 PolarHBondContact O-N 3.44Å; E259-R262 VanDerWaalsContact O-N 3.12Å
260K97.9Very high97.3Very high86 Ų8643.7 Ų43.737%0.37423%0.227SC..THydrogen-bonded Turntrans-64.8-26.9175.5-62.4-175.3177.2-173.30113.3R262 F279 D282 Y291K260-R262 VanDerWaalsContact C-N 3.3Å; K260-F279 HydrophobicContact CB-CB 4.48Å; K260-F279 HydrophobicContact CB-CD1 4.26Å; K260-F279 HydrophobicContact CB-CD2 4.09Å; K260-F279 HydrophobicContact CB-CE2 4.4Å; K260-F279 HydrophobicContact CB-CG 4.01Å; K260-F279 HydrophobicContact CD-CD2 4.42Å; K260-F279 HydrophobicContact CD-CE1 4.06Å; K260-F279 HydrophobicContact CD-CE2 3.88Å; K260-F279 HydrophobicContact CD-CZ 3.68Å; K260-F279 HydrophobicContact CG-CD2 3.91Å; K260-F279 HydrophobicContact CG-CE1 4.47Å; K260-F279 HydrophobicContact CG-CE2 3.8Å; K260-F279 HydrophobicContact CG-CG 4.31Å; K260-F279 HydrophobicContact CG-CZ 4.1Å; K260-F279 WeakPolarHBondContact O-CB 3.49Å; K260-D282 WeakPolarHBondContact CE-OD1 3.22Å; K260-D282 IonicContact NZ-OD1 2.74Å; K260-D282 PolarHBondContact NZ-OD1 2.82Å; K260-D282 IonicContact NZ-OD2 2.7Å; K260-D282 PolarHBondContact NZ-OD2 2.91Å; K260-Y291 HydrophobicContact CD-CE1 4.47Å; K260-Y291 HydrophobicContact CG-CD2 4.12Å; K260-Y291 HydrophobicContact CG-CE1 4.26Å; K260-Y291 HydrophobicContact CG-CE2 3.71Å
261S97.8Very high97.3Very high90 Ų9042.1 Ų42.163%0.62922%0.219SC*.THydrogen-bonded Turntrans-74.7-18.4176.156.60000113E259E259-S261 PolarHBondContact O-N 3.31Å; E259-S261 PolarHBondContact OE2-OG 2.85Å; E259-S261 VanDerWaalsContact OE2-OG 3.05Å
262R97.1Very high97.3Very high78 Ų7841.8 Ų41.829%0.29422%0.216SC..  trans-73.8132.2-171-169.9175.2-179.1172.70.6110.9E259 K260 L264 F293E259-R262 HydrophobicContact CB-CB 4.41Å; E259-R262 VanDerWaalsContact O-CB 3.27Å; E259-R262 WeakPolarHBondContact O-CB 3.33Å; E259-R262 PolarHBondContact O-N 3.44Å; E259-R262 VanDerWaalsContact O-N 3.12Å; K260-R262 VanDerWaalsContact C-N 3.3Å; R262-L264 HydrophobicContact CG-CD2 4.14Å; R262-F293 WeakPolarHBondContact O-CE1 3.47Å
263V98.1Very high97.4Very high55 Ų5539.8 Ų39.833%0.33320%0.197SC..  trans-86.3116.5168.5177.80000109R265 Y276 V278V263-R265 PolarHBondContact O-N 2.87Å; V263-Y276 HydrophobicContact CG1-CD2 3.61Å; V263-Y276 HydrophobicContact CG1-CG 3.91Å; V263-V278 HydrophobicContact CG2-CG1 4.45Å
264L98.5Very high97.5Very high2 Ų239.7 Ų39.71%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-85.7108.3179.6-62.7-172.5000109.8F254 V258 R262 Y276 A277 F293 V373F254-L264 HydrophobicContact CB-CD2 4.4Å; F254-L264 HydrophobicContact CD1-CB 4.11Å; F254-L264 HydrophobicContact CD1-CD1 4.26Å; F254-L264 HydrophobicContact CD1-CD2 4.03Å; F254-L264 HydrophobicContact CD1-CG 4.37Å; F254-L264 HydrophobicContact CD2-CD1 3.87Å; F254-L264 HydrophobicContact CE1-CB 3.77Å; F254-L264 HydrophobicContact CE1-CD1 4.25Å; F254-L264 HydrophobicContact CE1-CG 4.41Å; F254-L264 HydrophobicContact CE2-CD1 3.86Å; F254-L264 HydrophobicContact CG-CD1 4.07Å; F254-L264 HydrophobicContact CG-CD2 4.13Å; F254-L264 HydrophobicContact CZ-CB 4.09Å; F254-L264 HydrophobicContact CZ-CD1 4.05Å; V258-L264 HydrophobicContact CG1-CD2 4.07Å; R262-L264 HydrophobicContact CG-CD2 4.14Å; L264-Y276 CarbonylContact O-C 3.46Å; L264-Y276 WeakPolarHBondContact O-CA 3.48Å; L264-A277 PolarHBondContact N-O 2.93Å; L264-A277 PolarHBondContact O-N 2.86Å; L264-F293 HydrophobicContact CB-CD1 4.43Å; L264-F293 HydrophobicContact CD1-CB 4.3Å; L264-F293 HydrophobicContact CD1-CD1 3.66Å; L264-F293 HydrophobicContact CD1-CD2 3.54Å; L264-F293 HydrophobicContact CD1-CE1 3.81Å; L264-F293 HydrophobicContact CD1-CE2 3.66Å; L264-F293 HydrophobicContact CD1-CG 3.55Å; L264-F293 HydrophobicContact CD1-CZ 3.81Å; L264-F293 HydrophobicContact CG-CD1 3.78Å; L264-F293 HydrophobicContact CG-CD2 4.49Å; L264-F293 HydrophobicContact CG-CE1 3.71Å; L264-F293 HydrophobicContact CG-CE2 4.39Å; L264-F293 HydrophobicContact CG-CG 4.21Å; L264-F293 HydrophobicContact CG-CZ 4.02Å; L264-V373 HydrophobicContact CD1-CG2 4.06Å
265R98.4Very high97.4Very high140 Ų14039.7 Ų39.753%0.52820%0.196SC..EExtended strand (participates in β ladder)trans-90.1143.9174.6-66.4-178.5176.581.2-2.1110.2N247 G248 T249 V263 I275N247-R265 HydrophobicContact CB-CB 4.35Å; G248-R265 VanDerWaalsContact CA-O 3.31Å; G248-R265 WeakPolarHBondContact CA-O 3.29Å; T249-R265 PolarHBondContact N-O 3.42Å; V263-R265 PolarHBondContact O-N 2.87Å; R265-I275 WeakPolarHBondContact CA-O 3.25Å
266F98.5Very high97.5Very high18 Ų1842 Ų428%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-155.4152.2174.256.3-88.5000111.2N247 T249 A251 F254 S274 I275 A277 L295 L371N247-F266 CarbonylContact O-C 3.44Å; N247-F266 VanDerWaalsContact O-CA 3.3Å; N247-F266 WeakPolarHBondContact O-CA 3.34Å; N247-F266 PolarHBondContact O-N 2.76Å; T249-F266 CarbonylContact O-C 3.56Å; T249-F266 VanDerWaalsContact O-CA 3.22Å; T249-F266 WeakPolarHBondContact O-CA 3.4Å; T249-F266 VanDerWaalsContact O-CB 3.28Å; T249-F266 WeakPolarHBondContact O-CB 3.36Å; A251-F266 HydrophobicContact CB-CB 3.84Å; A251-F266 HydrophobicContact CB-CD1 4.18Å; A251-F266 HydrophobicContact CB-CD2 3.73Å; A251-F266 HydrophobicContact CB-CE2 4.26Å; A251-F266 HydrophobicContact CB-CG 3.67Å; F254-F266 HydrophobicContact CE1-CB 4.33Å; F254-F266 HydrophobicContact CE1-CD1 4.31Å; F254-F266 HydrophobicContact CZ-CD1 4.2Å; F266-S274 WeakPolarHBondContact O-CA 3.46Å; F266-I275 HydrophobicContact CD2-CG2 3.84Å; F266-I275 HydrophobicContact CE1-CG2 4.15Å; F266-I275 HydrophobicContact CE2-CG2 3.29Å; F266-I275 HydrophobicContact CG-CG2 4.48Å; F266-I275 HydrophobicContact CZ-CG2 3.48Å; F266-I275 VanDerWaalsContact CZ-CG2 3.48Å; F266-I275 PolarHBondContact N-O 2.82Å; F266-I275 PolarHBondContact O-N 3.37Å; F266-A277 HydrophobicContact CE1-CB 3.98Å; F266-L295 HydrophobicContact CE1-CD1 4.3Å; F266-L295 HydrophobicContact CZ-CD1 3.7Å; F266-L371 HydrophobicContact CD1-CD1 4.42Å; F266-L371 HydrophobicContact CE1-CD1 3.95Å; F266-L371 HydrophobicContact CZ-CD1 4.33Å
267F98.6Very high97.5Very high7 Ų741.9 Ų41.93%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-95134.8174170.8-116.2000110.1Y212 I227 Y230 L236 I246 N247 T249Y212-F267 HydrophobicContact CE1-CD1 4.08Å; Y212-F267 HydrophobicContact CE1-CE1 4.15Å; I227-F267 HydrophobicContact CD1-CB 3.77Å; I227-F267 HydrophobicContact CD1-CD1 3.96Å; I227-F267 HydrophobicContact CD1-CG 4.35Å; Y230-F267 HydrophobicContact CD1-CE1 4.02Å; Y230-F267 HydrophobicContact CD1-CZ 4.1Å; Y230-F267 HydrophobicContact CD2-CE1 4.14Å; Y230-F267 HydrophobicContact CE1-CE1 4.28Å; Y230-F267 HydrophobicContact CE1-CZ 4.19Å; Y230-F267 HydrophobicContact CE2-CE1 4.39Å; Y230-F267 AromaticContact CG-CE1 3.94Å; Y230-F267 HydrophobicContact CG-CE1 3.94Å; Y230-F267 HydrophobicContact CG-CZ 4.47Å; L236-F267 HydrophobicContact CD1-CD2 4.42Å; L236-F267 HydrophobicContact CD1-CE2 3.82Å; L236-F267 HydrophobicContact CD2-CD2 4.45Å; L236-F267 HydrophobicContact CD2-CE2 3.51Å; L236-F267 HydrophobicContact CD2-CZ 3.6Å; L236-F267 HydrophobicContact CG-CE2 4.26Å; I246-F267 HydrophobicContact CG2-CB 3.99Å; I246-F267 HydrophobicContact CG2-CD1 4.29Å; I246-F267 HydrophobicContact CG2-CG 4.03Å; N247-F267 PolarHBondContact O-N 3.4Å; T249-F267 PolarHBondContact O-N 3.09Å
268S97.7Very high97.7Very high16 Ų1640.4 Ų40.411%0.11220%0.201CC..EExtended strand (participates in β ladder)trans-125.3110.2170.1-172.60000110.3D270 I271 C272 R273 K385S268-D270 PolarHBondContact O-N 3.21Å; S268-I271 WeakPolarHBondContact O-CG1 3.46Å; S268-I271 PolarHBondContact O-N 2.79Å; S268-C272 PolarHBondContact O-N 3.43Å; S268-C272 VanDerWaalsContact O-N 3.16Å; S268-R273 PolarHBondContact N-O 3.42Å; S268-K385 PolarHBondContact OG-NZ 2.79Å
269S96.7Very high97.7Very high23 Ų2342.9 Ų42.916%0.16121%0.211CC..G310 helixtrans-58.8-3317955.10000112.8D209 Y212 I271 C272D209-S269 VanDerWaalsContact OD2-CB 3.25Å; D209-S269 WeakPolarHBondContact OD2-CB 3.37Å; D209-S269 PolarHBondContact OD2-OG 3.01Å; Y212-S269 PolarHBondContact OH-OG 3.11Å; S269-I271 VanDerWaalsContact C-N 3.28Å; S269-I271 PolarHBondContact O-N 2.94Å; S269-C272 PolarHBondContact O-N 2.86Å; S269-C272 VanDerWaalsContact O-N 3.13Å
270D94Very high97.8Very high58 Ų5838.8 Ų38.831%0.3120%0.203SC..G310 helixtrans-59.4-34.5178.9-61-28.9000113.8S268 K385S268-D270 PolarHBondContact O-N 3.21Å; D270-K385 IonicContact OD2-NZ 2.68Å; D270-K385 PolarHBondContact OD2-NZ 2.92Å
271I96.8Very high97.7Very high15 Ų1536.8 Ų36.88%0.07720%0.2CC..G310 helixtrans-106.25.3178.767.8170.9000112.6S268 S269 R273 I275 I341 L387S268-I271 WeakPolarHBondContact O-CG1 3.46Å; S268-I271 PolarHBondContact O-N 2.79Å; S269-I271 VanDerWaalsContact C-N 3.28Å; S269-I271 PolarHBondContact O-N 2.94Å; I271-R273 VanDerWaalsContact C-N 3.26Å; I271-R273 HydrophobicContact CD1-CG 4.02Å; I271-R273 HydrophobicContact CG1-CG 4.07Å; I271-R273 PolarHBondContact O-N 3.06Å; I271-I275 HydrophobicContact CD1-CD1 4.37Å; I271-I275 HydrophobicContact CD1-CG2 4.44Å; I271-I341 HydrophobicContact CG2-CG1 4.45Å; I271-I341 HydrophobicContact CG2-CG2 3.89Å; I271-L387 HydrophobicContact CG2-CD2 4.38Å
272C97.4Very high97.8Very high6 Ų637 Ų374%0.04119%0.194CC..THydrogen-bonded Turntrans57.430.5172.9-52.20000115.2L236 Y238 W239 S268 S269 C333L236-C272 WeakPolarHBondContact CD1-O 3.48Å; Y238-C272 HydrophobicContact CD2-CB 3.98Å; Y238-C272 HydrophobicContact CE2-CB 4.19Å; W239-C272 PolarHBondContact NE1-O 3.46Å; S268-C272 PolarHBondContact O-N 3.43Å; S268-C272 VanDerWaalsContact O-N 3.16Å; S269-C272 PolarHBondContact O-N 2.86Å; S269-C272 VanDerWaalsContact O-N 3.13Å; C272-C333 HydrophobicContact CB-CB 3.61Å; C272-C333 WeakPolarHBondContact CB-SG 3.17Å; C272-C333 WeakPolarHBondContact SG-CB 3.25Å; C272-C333 CovalentContact SG-SG 2.01Å; C272-C333 PolarHBondContact SG-SG 2.74Å
273R97.9Very high97.8Very high12 Ų1235.6 Ų35.65%0.04519%0.192CC..EExtended strand (participates in β ladder)trans-155.4164.2174.564171.8-75.8-178.5-4.1112.3S268 I271 F312 L328S268-R273 PolarHBondContact N-O 3.42Å; I271-R273 VanDerWaalsContact C-N 3.26Å; I271-R273 HydrophobicContact CD1-CG 4.02Å; I271-R273 HydrophobicContact CG1-CG 4.07Å; I271-R273 PolarHBondContact O-N 3.06Å; R273-F312 HydrophobicContact CB-CE1 3.79Å; R273-F312 HydrophobicContact CB-CZ 4.28Å; R273-F312 HydrophobicContact CG-CE1 4.39Å; R273-F312 VanDerWaalsContact CZ-CD2 3.46Å; R273-F312 VanDerWaalsContact NE-CZ 3.3Å; R273-F312 VanDerWaalsContact NH1-CE2 3.31Å; R273-F312 VanDerWaalsContact NH1-CG 3.34Å; R273-L328 VanDerWaalsContact CD-CD2 3.49Å; R273-L328 HydrophobicContact CG-CD2 4Å
274S98.4Very high97.7Very high12 Ų1240.2 Ų40.28%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-78.8144.7162.7-54.60000110.8M245 I246 N247 F266M245-S274 WeakPolarHBondContact O-CB 3.46Å; M245-S274 PolarHBondContact O-OG 2.86Å; I246-S274 WeakPolarHBondContact CA-OG 3.42Å; N247-S274 PolarHBondContact N-OG 2.89Å; F266-S274 WeakPolarHBondContact O-CA 3.46Å
275I97.6Very high97.6Very high6 Ų640.8 Ų40.83%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-140.2-179.5177.2-161.2157.1000109.5R265 F266 I271 L295 A299 F300R265-I275 WeakPolarHBondContact CA-O 3.25Å; F266-I275 HydrophobicContact CD2-CG2 3.84Å; F266-I275 HydrophobicContact CE1-CG2 4.15Å; F266-I275 HydrophobicContact CE2-CG2 3.29Å; F266-I275 HydrophobicContact CG-CG2 4.48Å; F266-I275 HydrophobicContact CZ-CG2 3.48Å; F266-I275 VanDerWaalsContact CZ-CG2 3.48Å; F266-I275 PolarHBondContact N-O 2.82Å; F266-I275 PolarHBondContact O-N 3.37Å; I271-I275 HydrophobicContact CD1-CD1 4.37Å; I271-I275 HydrophobicContact CD1-CG2 4.44Å; I275-L295 HydrophobicContact CD1-CD1 4.05Å; I275-L295 HydrophobicContact CD1-CD2 3.8Å; I275-L295 HydrophobicContact CD1-CG 3.99Å; I275-L295 HydrophobicContact CG1-CD1 3.98Å; I275-L295 HydrophobicContact CG1-CG 4.37Å; I275-L295 HydrophobicContact CG2-CD1 4.06Å; I275-A299 HydrophobicContact CD1-CB 3.93Å; I275-A299 HydrophobicContact CG1-CB 3.99Å; I275-F300 HydrophobicContact CD1-CE1 4.35Å; I275-F300 HydrophobicContact CD1-CE2 4.08Å; I275-F300 HydrophobicContact CD1-CZ 3.77Å
276Y98.3Very high97.5Very high50 Ų5037.4 Ų37.420%0.19620%0.202CC..EExtended strand (participates in β ladder)trans-143.4151.1-178.867.2-83.6000112V263 L264 V278 L295 P296 A299V263-Y276 HydrophobicContact CG1-CD2 3.61Å; V263-Y276 HydrophobicContact CG1-CG 3.91Å; L264-Y276 CarbonylContact O-C 3.46Å; L264-Y276 WeakPolarHBondContact O-CA 3.48Å; Y276-V278 HydrophobicContact CD2-CG1 3.92Å; Y276-V278 HydrophobicContact CE2-CG1 3.94Å; Y276-L295 WeakPolarHBondContact O-CD1 3.36Å; Y276-P296 HydrophobicContact CD2-CG 4.07Å; Y276-P296 HydrophobicContact CE2-CG 3.39Å; Y276-P296 WeakPolarHBondContact O-CD 3.34Å; Y276-A299 HydrophobicContact CE1-CB 4.08Å
277A98.4Very high97.2Very high1 Ų137.7 Ų37.71%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-116.9151.5170.500000110.8L264 F266 F293 I294L264-A277 PolarHBondContact N-O 2.93Å; L264-A277 PolarHBondContact O-N 2.86Å; F266-A277 HydrophobicContact CE1-CB 3.98Å; A277-F293 HydrophobicContact CB-CB 3.84Å; A277-I294 CarbonylContact C-O 3.6Å; A277-I294 VanDerWaalsContact CA-O 3.26Å; A277-I294 WeakPolarHBondContact CA-O 3.39Å; A277-I294 WeakPolarHBondContact CB-O 3.36Å
278V98.6Very high97Very high41 Ų4137.4 Ų37.425%0.24821%0.209CC..EExtended strand (participates in β ladder)trans-123.5151.6-178.4-61.30000109.9V263 Y276 G280 F293 I294 P296V263-V278 HydrophobicContact CG2-CG1 4.45Å; Y276-V278 HydrophobicContact CD2-CG1 3.92Å; Y276-V278 HydrophobicContact CE2-CG1 3.94Å; V278-G280 PolarHBondContact O-N 2.77Å; V278-F293 VanDerWaalsContact C-CD1 3.41Å; V278-F293 CarbonylContact O-C 3.56Å; V278-F293 VanDerWaalsContact O-CA 3.25Å; V278-F293 WeakPolarHBondContact O-CA 3.46Å; V278-I294 HydrophobicContact CG2-CG1 4.21Å; V278-I294 PolarHBondContact N-O 3.25Å; V278-I294 PolarHBondContact O-N 2.66Å; V278-P296 HydrophobicContact CG1-CG 4.21Å; V278-P296 HydrophobicContact CG2-CB 3.96Å; V278-P296 HydrophobicContact CG2-CG 4.08Å
279F98.6Very high97Very high59 Ų5939.7 Ų39.726%0.25922%0.223SC..EExtended strand (participates in β ladder)trans-58.8132.8178.8176.7-96.9000111.1K260 S281 Y291 F293K260-F279 HydrophobicContact CB-CB 4.48Å; K260-F279 HydrophobicContact CB-CD1 4.26Å; K260-F279 HydrophobicContact CB-CD2 4.09Å; K260-F279 HydrophobicContact CB-CE2 4.4Å; K260-F279 HydrophobicContact CB-CG 4.01Å; K260-F279 HydrophobicContact CD-CD2 4.42Å; K260-F279 HydrophobicContact CD-CE1 4.06Å; K260-F279 HydrophobicContact CD-CE2 3.88Å; K260-F279 HydrophobicContact CD-CZ 3.68Å; K260-F279 HydrophobicContact CG-CD2 3.91Å; K260-F279 HydrophobicContact CG-CE1 4.47Å; K260-F279 HydrophobicContact CG-CE2 3.8Å; K260-F279 HydrophobicContact CG-CG 4.31Å; K260-F279 HydrophobicContact CG-CZ 4.1Å; K260-F279 WeakPolarHBondContact O-CB 3.49Å; F279-S281 WeakPolarHBondContact CE2-O 3.43Å; F279-S281 VanDerWaalsContact CZ-C 3.42Å; F279-Y291 HydrophobicContact CD2-CG 4.2Å; F279-Y291 AromaticContact CE2-CD1 3.97Å; F279-Y291 HydrophobicContact CE2-CD1 3.97Å; F279-Y291 AromaticContact CE2-CG 3.96Å; F279-Y291 HydrophobicContact CE2-CG 3.96Å; F279-F293 HydrophobicContact CB-CD1 4.47Å; F279-F293 HydrophobicContact CB-CE1 4.07Å; F279-F293 HydrophobicContact CB-CZ 4.47Å
280G97.4Very high97Very high39 Ų3938.7 Ų38.740%0.40222%0.216SC..EExtended strand (participates in β ladder)trans-111-55.117500000112.1V278 R292V278-G280 PolarHBondContact O-N 2.77Å; G280-R292 WeakPolarHBondContact CA-O 3.26Å; G280-R292 PolarHBondContact N-O 2.93Å
281S97.8Very high97.2Very high45 Ų4538.3 Ų38.332%0.31521%0.211SC..EExtended strand (participates in β ladder)trans-159.4162.3-175.564.60000113.2F279 R292F279-S281 WeakPolarHBondContact CE2-O 3.43Å; F279-S281 VanDerWaalsContact CZ-C 3.42Å; S281-R292 PolarHBondContact N-O 2.83Å; S281-R292 WeakPolarHBondContact O-CB 3.32Å; S281-R292 PolarHBondContact O-N 3.13Å
282D98.2Very high97.3Very high94 Ų9439.4 Ų39.450%0.50321%0.214SC..EExtended strand (participates in β ladder)trans-78139.8164.8-62.8-84.7000110.3K260 Y291K260-D282 WeakPolarHBondContact CE-OD1 3.22Å; K260-D282 IonicContact NZ-OD1 2.74Å; K260-D282 PolarHBondContact NZ-OD1 2.82Å; K260-D282 IonicContact NZ-OD2 2.7Å; K260-D282 PolarHBondContact NZ-OD2 2.91Å; D282-Y291 VanDerWaalsContact OD1-CE1 3.28Å; D282-Y291 WeakPolarHBondContact OD1-CE1 3.4Å
283I97.9Very high97.4Very high49 Ų4939.1 Ų39.125%0.25121%0.212SC..EExtended strand (participates in β ladder)trans-134.3143.6177.7-61.2-66.4000108.8V290 R292I283-V290 HydrophobicContact CB-CG2 3.78Å; I283-V290 HydrophobicContact CG2-CG2 3.99Å; I283-V290 PolarHBondContact N-O 2.03Å; I283-V290 WeakPolarHBondContact O-CG2 3.24Å; I283-V290 PolarHBondContact O-N 2.83Å; I283-R292 HydrophobicContact CG1-CB 3.81Å
284E96.5Very high97.4Very high152 Ų15240.3 Ų40.371%0.7122%0.219SC*.EExtended strand (participates in β ladder)trans-104.1104.1169.3-171.7171-174.200109.7
285L96.4Very high97.3Very high14 Ų1440.6 Ų40.67%0.07322%0.219CC..EExtended strand (participates in β ladder)trans-99.3105-178.517959.9000109.9G287 I288 V290 L381 Q382 I422L285-G287 PolarHBondContact O-N 3.05Å; L285-I288 PolarHBondContact N-O 3.39Å; L285-I288 VanDerWaalsContact O-CB 3.29Å; L285-I288 WeakPolarHBondContact O-CB 3.49Å; L285-I288 PolarHBondContact O-N 3.26Å; L285-V290 HydrophobicContact CB-CG1 4.36Å; L285-V290 HydrophobicContact CB-CG2 3.96Å; L285-L381 HydrophobicContact CD2-CB 3.81Å; L285-Q382 HydrophobicContact CD2-CB 3.64Å; L285-I422 HydrophobicContact CD2-CG2 3.91Å; L285-I422 HydrophobicContact CG-CG2 4.27Å
286K95.2Very high97.3Very high68 Ų6841.4 Ų41.430%0.29623%0.225SC..THydrogen-bonded Turntrans52.141.6178.6-54.4-175.5175.2-1610112.1I288 I422 D424 A427 R431K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 3.4Å; K286-I422 HydrophobicContact CD-CG2 4.32Å; K286-I422 VanDerWaalsContact CE-O 3.22Å; K286-I422 WeakPolarHBondContact CE-O 3.24Å; K286-I422 PolarHBondContact NZ-O 2.92Å; K286-D424 WeakPolarHBondContact CD-OD1 3.29Å; K286-D424 VanDerWaalsContact CE-OD1 3.26Å; K286-D424 WeakPolarHBondContact CE-OD1 3.33Å; K286-D424 VanDerWaalsContact NZ-CG 3.32Å; K286-D424 IonicContact NZ-OD1 3.67Å; K286-D424 PolarHBondContact NZ-OD1 2.92Å; K286-D424 IonicContact NZ-OD2 3.49Å; K286-D424 PolarHBondContact NZ-OD2 3.43Å; K286-A427 HydrophobicContact CB-CB 3.98Å; K286-A427 HydrophobicContact CD-CB 3.93Å; K286-R431 PolarHBondContact O-NH1 3.15Å
287G93.4Very high97.2Very high25 Ų2541 Ų4126%0.25823%0.232SC..THydrogen-bonded Turntrans75.711-177.300000115.3L285L285-G287 PolarHBondContact O-N 3.05Å
288I94.8Very high97.2Very high0 Ų046.3 Ų46.30%026%0.255CS..EExtended strand (participates in β ladder)trans-107.6119.4174.3-54.9164.4000108L285 K286 V290 E374 L381 I422 A427 F430 R431L285-I288 PolarHBondContact N-O 3.39Å; L285-I288 VanDerWaalsContact O-CB 3.29Å; L285-I288 WeakPolarHBondContact O-CB 3.49Å; L285-I288 PolarHBondContact O-N 3.26Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 3.4Å; I288-V290 HydrophobicContact CG2-CG1 4.12Å; I288-V290 PolarHBondContact O-N 3.46Å; I288-E374 HydrophobicContact CG2-CG 3.81Å; I288-L381 HydrophobicContact CB-CD1 4.49Å; I288-L381 HydrophobicContact CD1-CD1 4.04Å; I288-L381 HydrophobicContact CG2-CD1 3.87Å; I288-I422 HydrophobicContact CD1-CD1 4.49Å; I288-A427 HydrophobicContact CD1-CB 4.01Å; I288-F430 HydrophobicContact CD1-CB 4.17Å; I288-F430 HydrophobicContact CD1-CD1 3.68Å; I288-F430 HydrophobicContact CD1-CE1 4.49Å; I288-F430 HydrophobicContact CD1-CG 4.18Å; I288-F430 HydrophobicContact CG1-CD1 4.12Å; I288-F430 HydrophobicContact CG2-CD1 4.07Å; I288-F430 HydrophobicContact CG2-CE1 3.84Å; I288-R431 HydrophobicContact CD1-CG 4.23Å; I288-R431 HydrophobicContact CG1-CG 3.55Å
289P95.6Very high97Very high65 Ų6544.3 Ų44.342%0.42224%0.243SC..EExtended strand (participates in β ladder)trans-69.2127174.128.4-32.6000110P375P289-P375 WeakPolarHBondContact O-CD 3.06Å
290V98Very high96.8Very high2 Ų242.4 Ų42.41%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-134.3153179.9-59.80000110.5I283 L285 I288 D372 V373 E374 L381I283-V290 HydrophobicContact CB-CG2 3.78Å; I283-V290 HydrophobicContact CG2-CG2 3.99Å; I283-V290 PolarHBondContact N-O 2.03Å; I283-V290 WeakPolarHBondContact O-CG2 3.24Å; I283-V290 PolarHBondContact O-N 2.83Å; L285-V290 HydrophobicContact CB-CG1 4.36Å; L285-V290 HydrophobicContact CB-CG2 3.96Å; I288-V290 HydrophobicContact CG2-CG1 4.12Å; I288-V290 PolarHBondContact O-N 3.46Å; V290-D372 HydrophobicContact CB-CB 4.41Å; V290-D372 HydrophobicContact CG2-CB 3.83Å; V290-V373 WeakPolarHBondContact CA-O 3.04Å; V290-E374 HydrophobicContact CG1-CB 4.14Å; V290-L381 HydrophobicContact CG1-CD1 4.02Å
291Y98.7Very high96.8Very high50 Ų5040.9 Ų40.920%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-97122.8173.8-67.2-14.3000109.7V258 K260 F279 D282 F293 V373 P375V258-Y291 WeakPolarHBondContact O-CE2 3.47Å; K260-Y291 HydrophobicContact CD-CE1 4.47Å; K260-Y291 HydrophobicContact CG-CD2 4.12Å; K260-Y291 HydrophobicContact CG-CE1 4.26Å; K260-Y291 HydrophobicContact CG-CE2 3.71Å; F279-Y291 HydrophobicContact CD2-CG 4.2Å; F279-Y291 AromaticContact CE2-CD1 3.97Å; F279-Y291 HydrophobicContact CE2-CD1 3.97Å; F279-Y291 AromaticContact CE2-CG 3.96Å; F279-Y291 HydrophobicContact CE2-CG 3.96Å; D282-Y291 VanDerWaalsContact OD1-CE1 3.28Å; D282-Y291 WeakPolarHBondContact OD1-CE1 3.4Å; Y291-F293 HydrophobicContact CD2-CE2 4.32Å; Y291-F293 HydrophobicContact CG-CE2 4.46Å; Y291-F293 WeakPolarHBondContact O-CD2 3.43Å; Y291-F293 PolarHBondContact O-N 2.9Å; Y291-V373 PolarHBondContact N-O 2.9Å; Y291-V373 PolarHBondContact O-N 3.48Å; Y291-P375 HydrophobicContact CD2-CB 3.86Å; Y291-P375 HydrophobicContact CE1-CG 4.36Å; Y291-P375 HydrophobicContact CE2-CB 3.56Å; Y291-P375 HydrophobicContact CE2-CG 4.2Å; Y291-P375 HydrophobicContact CG-CB 4.48Å
292R98.7Very high96.8Very high37 Ų3738.9 Ų38.914%0.1420%0.204CC..EExtended strand (participates in β ladder)trans-80.7110.5172.5178.2159.4-71.6170.8-0109.6G280 S281 I283 I294 Y370 L371 D372G280-R292 WeakPolarHBondContact CA-O 3.26Å; G280-R292 PolarHBondContact N-O 2.93Å; S281-R292 PolarHBondContact N-O 2.83Å; S281-R292 WeakPolarHBondContact O-CB 3.32Å; S281-R292 PolarHBondContact O-N 3.13Å; I283-R292 HydrophobicContact CG1-CB 3.81Å; R292-I294 HydrophobicContact CG-CG2 4.08Å; R292-Y370 HydrophobicContact CG-CD2 4.48Å; R292-L371 CarbonylContact C-O 3.54Å; R292-L371 WeakPolarHBondContact CA-O 3.44Å; R292-D372 WeakPolarHBondContact CA-OD1 3.23Å; R292-D372 VanDerWaalsContact CB-OD1 3.32Å; R292-D372 WeakPolarHBondContact CB-OD1 3.24Å; R292-D372 WeakPolarHBondContact CG-OD1 3.41Å; R292-D372 IonicContact CZ-OD1 3.16Å; R292-D372 IonicContact CZ-OD2 2.59Å; R292-D372 IonicContact NE-OD1 3.81Å; R292-D372 PolarHBondContact NE-OD1 2.81Å; R292-D372 IonicContact NE-OD2 3.95Å; R292-D372 IonicContact NH2-OD1 3.02Å; R292-D372 PolarHBondContact NH2-OD1 3.06Å; R292-D372 IonicContact NH2-OD2 2.88Å; R292-D372 PolarHBondContact NH2-OD2 3.38Å
293F98.8Very high96.8Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-94.7132.4168.9-73.6-94000109.8V258 R262 L264 A277 V278 F279 Y291 Y370 L371 V373V258-F293 HydrophobicContact CG1-CE2 3.87Å; V258-F293 HydrophobicContact CG1-CZ 3.63Å; R262-F293 WeakPolarHBondContact O-CE1 3.47Å; L264-F293 HydrophobicContact CB-CD1 4.43Å; L264-F293 HydrophobicContact CD1-CB 4.3Å; L264-F293 HydrophobicContact CD1-CD1 3.66Å; L264-F293 HydrophobicContact CD1-CD2 3.54Å; L264-F293 HydrophobicContact CD1-CE1 3.81Å; L264-F293 HydrophobicContact CD1-CE2 3.66Å; L264-F293 HydrophobicContact CD1-CG 3.55Å; L264-F293 HydrophobicContact CD1-CZ 3.81Å; L264-F293 HydrophobicContact CG-CD1 3.78Å; L264-F293 HydrophobicContact CG-CD2 4.49Å; L264-F293 HydrophobicContact CG-CE1 3.71Å; L264-F293 HydrophobicContact CG-CE2 4.39Å; L264-F293 HydrophobicContact CG-CG 4.21Å; L264-F293 HydrophobicContact CG-CZ 4.02Å; A277-F293 HydrophobicContact CB-CB 3.84Å; V278-F293 VanDerWaalsContact C-CD1 3.41Å; V278-F293 CarbonylContact O-C 3.56Å; V278-F293 VanDerWaalsContact O-CA 3.25Å; V278-F293 WeakPolarHBondContact O-CA 3.46Å; F279-F293 HydrophobicContact CB-CD1 4.47Å; F279-F293 HydrophobicContact CB-CE1 4.07Å; F279-F293 HydrophobicContact CB-CZ 4.47Å; Y291-F293 HydrophobicContact CD2-CE2 4.32Å; Y291-F293 HydrophobicContact CG-CE2 4.46Å; Y291-F293 WeakPolarHBondContact O-CD2 3.43Å; Y291-F293 PolarHBondContact O-N 2.9Å; F293-Y370 CarbonylContact O-C 3.56Å; F293-Y370 WeakPolarHBondContact O-CA 3.32Å; F293-L371 HydrophobicContact CB-CB 4.5Å; F293-L371 PolarHBondContact N-O 3.29Å; F293-L371 PolarHBondContact O-N 3.42Å; F293-V373 HydrophobicContact CD2-CB 4.17Å; F293-V373 HydrophobicContact CD2-CG2 4.04Å; F293-V373 HydrophobicContact CE2-CB 4.35Å
294I98.1Very high96.7Very high38 Ų3838.9 Ų38.920%0.19521%0.21CC..EExtended strand (participates in β ladder)trans-115.4150.5179.861.7171.3000110.7A277 V278 R292 P296A277-I294 CarbonylContact C-O 3.6Å; A277-I294 VanDerWaalsContact CA-O 3.26Å; A277-I294 WeakPolarHBondContact CA-O 3.39Å; A277-I294 WeakPolarHBondContact CB-O 3.36Å; V278-I294 HydrophobicContact CG2-CG1 4.21Å; V278-I294 PolarHBondContact N-O 3.25Å; V278-I294 PolarHBondContact O-N 2.66Å; R292-I294 HydrophobicContact CG-CG2 4.08Å; I294-P296 VanDerWaalsContact O-CD 3.32Å; I294-P296 WeakPolarHBondContact O-CD 3.28Å
295L97.4Very high96.8Very high17 Ų1736.5 Ų36.59%0.08920%0.199CC..  trans-77.3111.6171.4-143.270.8000108.5F266 I275 Y276 F300 T369F266-L295 HydrophobicContact CE1-CD1 4.3Å; F266-L295 HydrophobicContact CZ-CD1 3.7Å; I275-L295 HydrophobicContact CD1-CD1 4.05Å; I275-L295 HydrophobicContact CD1-CD2 3.8Å; I275-L295 HydrophobicContact CD1-CG 3.99Å; I275-L295 HydrophobicContact CG1-CD1 3.98Å; I275-L295 HydrophobicContact CG1-CG 4.37Å; I275-L295 HydrophobicContact CG2-CD1 4.06Å; Y276-L295 WeakPolarHBondContact O-CD1 3.36Å; L295-F300 HydrophobicContact CD2-CE2 3.59Å; L295-F300 HydrophobicContact CD2-CZ 3.84Å; L295-F300 HydrophobicContact CG-CE2 4.26Å; L295-T369 HydrophobicContact CB-CG2 4.3Å; L295-T369 HydrophobicContact CD2-CG2 4.28Å; L295-T369 PolarHBondContact N-O 3.07Å; L295-T369 VanDerWaalsContact N-O 3.11Å
296P97.1Very high96.8Very high23 Ų2336 Ų3615%0.14920%0.197CC..  trans-75.8149.8-17329.8-32.4000111.5Y276 V278 I294 K298 A299Y276-P296 HydrophobicContact CD2-CG 4.07Å; Y276-P296 HydrophobicContact CE2-CG 3.39Å; Y276-P296 WeakPolarHBondContact O-CD 3.34Å; V278-P296 HydrophobicContact CG1-CG 4.21Å; V278-P296 HydrophobicContact CG2-CB 3.96Å; V278-P296 HydrophobicContact CG2-CG 4.08Å; I294-P296 VanDerWaalsContact O-CD 3.32Å; I294-P296 WeakPolarHBondContact O-CD 3.28Å; P296-K298 PolarHBondContact O-N 2.78Å; P296-K298 VanDerWaalsContact O-N 3.09Å; P296-A299 HydrophobicContact CG-CB 4.37Å; P296-A299 VanDerWaalsContact O-CB 3.24Å; P296-A299 WeakPolarHBondContact O-CB 3.28Å; P296-A299 PolarHBondContact O-N 2.88Å
297A96.3Very high96.9Very high43 Ų4336.8 Ų36.836%0.35521%0.209SC..G310 helixtrans-52.7-34.5175.100000112.6A299 F300 A301 H348A297-A299 PolarHBondContact O-N 3.39Å; A297-A299 VanDerWaalsContact O-N 3.11Å; A297-F300 PolarHBondContact O-N 3.36Å; A297-A301 PolarHBondContact O-N 3.17Å; A297-H348 HydrophobicContact CB-CB 4.01Å
298K96.9Very high97.1Very high111 Ų11140.2 Ų40.248%0.48322%0.221SC..G310 helixtrans-57-25.6176.4-163.4177-173.5-175.50113.6P296 F300 A301 N306 N309P296-K298 PolarHBondContact O-N 2.78Å; P296-K298 VanDerWaalsContact O-N 3.09Å; K298-F300 VanDerWaalsContact C-N 3.26Å; K298-F300 PolarHBondContact O-N 2.92Å; K298-A301 PolarHBondContact O-N 3.46Å; K298-N306 WeakPolarHBondContact CE-OD1 3.36Å; K298-N306 HydrophobicContact CG-CB 3.82Å; K298-N306 PolarHBondContact O-ND2 2.89Å; K298-N309 PolarHBondContact O-ND2 3.26Å
299A95.6Very high97.2Very high0 Ų040.9 Ų40.90%022%0.224CC..G310 helixtrans-65.6-29.3176.800000112.7I275 Y276 P296 A297 N309I275-A299 HydrophobicContact CD1-CB 3.93Å; I275-A299 HydrophobicContact CG1-CB 3.99Å; Y276-A299 HydrophobicContact CE1-CB 4.08Å; P296-A299 HydrophobicContact CG-CB 4.37Å; P296-A299 VanDerWaalsContact O-CB 3.24Å; P296-A299 WeakPolarHBondContact O-CB 3.28Å; P296-A299 PolarHBondContact O-N 2.88Å; A297-A299 PolarHBondContact O-N 3.39Å; A297-A299 VanDerWaalsContact O-N 3.11Å; A299-N309 PolarHBondContact O-ND2 2.78Å; A299-N309 VanDerWaalsContact O-ND2 3.15Å
300F95.1Very high97.3Very high19 Ų1942.2 Ų42.28%0.08323%0.225CC..G310 helixtrans-108.56.2177.7-59.8-83.9000113.7I275 L295 A297 K298 G326 L343I275-F300 HydrophobicContact CD1-CE1 4.35Å; I275-F300 HydrophobicContact CD1-CE2 4.08Å; I275-F300 HydrophobicContact CD1-CZ 3.77Å; L295-F300 HydrophobicContact CD2-CE2 3.59Å; L295-F300 HydrophobicContact CD2-CZ 3.84Å; L295-F300 HydrophobicContact CG-CE2 4.26Å; A297-F300 PolarHBondContact O-N 3.36Å; K298-F300 VanDerWaalsContact C-N 3.26Å; K298-F300 PolarHBondContact O-N 2.92Å; F300-G326 PolarHBondContact O-N 3.42Å; F300-L343 HydrophobicContact CD2-CD1 4.38Å; F300-L343 HydrophobicContact CD2-CG 4.46Å; F300-L343 HydrophobicContact CE2-CD1 4.36Å; F300-L343 HydrophobicContact CE2-CD2 4.06Å; F300-L343 HydrophobicContact CE2-CG 4.19Å; F300-L343 HydrophobicContact CZ-CD2 4.34Å
301A97.3Very high97.3Very high6 Ų642.7 Ų42.75%0.0523%0.228CC..  trans-70.8155.9-17900000112.2A297 K298 Q305 N306 N309A297-A301 PolarHBondContact O-N 3.17Å; K298-A301 PolarHBondContact O-N 3.46Å; A301-Q305 HydrophobicContact CB-CB 3.96Å; A301-N306 HydrophobicContact CB-CB 4.12Å; A301-N309 WeakPolarHBondContact O-CB 3.3Å; A301-N309 PolarHBondContact O-ND2 2.76Å
302S97.8Very high97.2Very high4 Ų441.3 Ų41.33%0.02822%0.223CC..  trans-7316317759.70000111.4V304 Q305 N306 T323 Y325S302-V304 PolarHBondContact O-N 2.96Å; S302-Q305 PolarHBondContact O-N 3.27Å; S302-N306 PolarHBondContact O-N 3.07Å; S302-T323 VanDerWaalsContact CB-O 3.25Å; S302-T323 WeakPolarHBondContact CB-O 3.27Å; S302-T323 PolarHBondContact OG-O 3.45Å; S302-T323 VanDerWaalsContact OG-O 3.09Å; S302-Y325 VanDerWaalsContact N-CB 3.28Å
303P97.3Very high97.1Very high32 Ų3241.2 Ų41.221%0.20823%0.228CC..THydrogen-bonded Turntrans-53.2-24.9173.2-3139.1000115.2Q305 N306 P307 H310 C322P303-Q305 VanDerWaalsContact C-N 3.34Å; P303-N306 WeakPolarHBondContact CA-O 3.39Å; P303-N306 CarbonylContact O-C 3.6Å; P303-P307 WeakPolarHBondContact O-CA 3.37Å; P303-H310 HydrophobicContact CB-CB 4.14Å; P303-H310 VanDerWaalsContact CG-CA 3.47Å; P303-H310 HydrophobicContact CG-CB 4.06Å; P303-C322 WeakPolarHBondContact CD-O 3.34Å; P303-C322 HydrophobicContact CG-CB 4.2Å
304V96.9Very high96.9Very high110 Ų11044.5 Ų44.567%0.66725%0.248SC*.THydrogen-bonded Turntrans-65.3-38.9175-179.60000111.5S302 T323S302-V304 PolarHBondContact O-N 2.96Å; V304-T323 HydrophobicContact CG2-CG2 4.08Å
305Q96.8Very high96.7Very high102 Ų10245 Ų4548%0.47725%0.249SC..THydrogen-bonded Turntrans-95.1-31.9-178.8-63.7173.524.200112.2A301 S302 P303 Y325A301-Q305 HydrophobicContact CB-CB 3.96Å; S302-Q305 PolarHBondContact O-N 3.27Å; P303-Q305 VanDerWaalsContact C-N 3.34Å; Q305-Y325 VanDerWaalsContact NE2-CD1 3.35Å
306N97.5Very high96.6Very high5 Ų550.9 Ų50.93%0.02727%0.274CS..  trans-13892.1178-174.917.8000110.2K298 A301 S302 P303 D308 N309K298-N306 WeakPolarHBondContact CE-OD1 3.36Å; K298-N306 HydrophobicContact CG-CB 3.82Å; K298-N306 PolarHBondContact O-ND2 2.89Å; A301-N306 HydrophobicContact CB-CB 4.12Å; S302-N306 PolarHBondContact O-N 3.07Å; P303-N306 WeakPolarHBondContact CA-O 3.39Å; P303-N306 CarbonylContact O-C 3.6Å; N306-D308 PolarHBondContact O-N 3.28Å; N306-N309 PolarHBondContact ND2-ND2 2.9Å; N306-N309 PolarHBondContact O-N 2.79Å
307P97.6Very high96.5Very high84 Ų8455.3 Ų55.355%0.54530%0.3SS..G310 helixtrans-54.1-25.4-178.7-28.836.4000114.3P303 N309 H310P303-P307 WeakPolarHBondContact O-CA 3.37Å; P307-N309 PolarHBondContact O-N 3.22Å; P307-H310 PolarHBondContact O-N 3.41Å; P307-H310 PolarHBondContact O-ND1 2.82Å
308D96.7Very high96.5Very high97 Ų9754.2 Ų54.252%0.51929%0.289SS..G310 helixtrans-64.6-20.4178.2-62.8-26.1000113.1Y242 N306 H310Y242-D308 HydrophobicContact CE2-CB 4.45Å; Y242-D308 VanDerWaalsContact CE2-O 3.25Å; Y242-D308 WeakPolarHBondContact CE2-O 3.12Å; Y242-D308 WeakPolarHBondContact OH-CA 3.2Å; Y242-D308 PolarHBondContact OH-O 2.88Å; Y242-D308 VanDerWaalsContact OH-O 3.06Å; N306-D308 PolarHBondContact O-N 3.28Å; D308-H310 VanDerWaalsContact C-N 3.32Å; D308-H310 PolarHBondContact O-N 3.36Å
309N97.7Very high96.4Very high13 Ų1349.9 Ų49.97%0.0727%0.272CS..G310 helixtrans-85.83.4-179.5-79.3-14.9000114K298 A299 A301 N306 P307 C311 F312K298-N309 PolarHBondContact O-ND2 3.26Å; A299-N309 PolarHBondContact O-ND2 2.78Å; A299-N309 VanDerWaalsContact O-ND2 3.15Å; A301-N309 WeakPolarHBondContact O-CB 3.3Å; A301-N309 PolarHBondContact O-ND2 2.76Å; N306-N309 PolarHBondContact ND2-ND2 2.9Å; N306-N309 PolarHBondContact O-N 2.79Å; P307-N309 PolarHBondContact O-N 3.22Å; N309-C311 VanDerWaalsContact C-N 3.28Å; N309-C311 PolarHBondContact O-N 3.27Å; N309-F312 HydrophobicContact CB-CD2 4.47Å; N309-F312 PolarHBondContact O-N 3.42Å
310H97.1Very high96.4Very high94 Ų9454.7 Ų54.744%0.43530%0.298SS..G310 helixtrans-56-39.4-176.874.5-85000113.5Y242 P303 P307 D308 F312 C313Y242-H310 AromaticContact CE1-CE1 3.87Å; Y242-H310 AromaticContact CZ-CE1 3.69Å; Y242-H310 PolarHBondContact OH-CE1 3.13Å; Y242-H310 PolarHBondContact OH-ND1 2.85Å; P303-H310 HydrophobicContact CB-CB 4.14Å; P303-H310 VanDerWaalsContact CG-CA 3.47Å; P303-H310 HydrophobicContact CG-CB 4.06Å; P307-H310 PolarHBondContact O-N 3.41Å; P307-H310 PolarHBondContact O-ND1 2.82Å; D308-H310 VanDerWaalsContact C-N 3.32Å; D308-H310 PolarHBondContact O-N 3.36Å; H310-F312 PolarHBondContact O-N 2.97Å; H310-C313 WeakPolarHBondContact O-CB 3.07Å; H310-C313 PolarHBondContact O-N 2.87Å; H310-C313 VanDerWaalsContact O-N 3.13Å
311C97.5Very high96.5Very high11 Ų1158.7 Ų58.77%0.07432%0.32CS..G310 helixtrans-77.9-0.8-179.942.80000114.6E240 C243 N309E240-C311 HydrophobicContact CB-CB 4.33Å; E240-C311 VanDerWaalsContact O-CB 3.25Å; E240-C311 WeakPolarHBondContact O-CB 3.49Å; C243-C311 HydrophobicContact CB-CB 3.67Å; C243-C311 WeakPolarHBondContact CB-SG 3.33Å; C243-C311 VanDerWaalsContact SG-CA 3.55Å; C243-C311 WeakPolarHBondContact SG-CB 3.37Å; C243-C311 CovalentContact SG-SG 2.02Å; C243-C311 PolarHBondContact SG-SG 3.28Å; N309-C311 VanDerWaalsContact C-N 3.28Å; N309-C311 PolarHBondContact O-N 3.27Å
312F97.7Very high96.4Very high22 Ų2259.7 Ų59.710%0.09633%0.326CS..G310 helixtrans-94.1-8.1166.9-66.1-65.6000113W239 C243 R273 N309 H310 T314 L328W239-F312 HydrophobicContact CB-CE1 4.47Å; W239-F312 AromaticContact CD1-CE1 3.86Å; W239-F312 AromaticContact CD2-CD1 3.5Å; W239-F312 HydrophobicContact CD2-CD1 3.5Å; W239-F312 VanDerWaalsContact CD2-CD1 3.5Å; W239-F312 AromaticContact CD2-CE1 3.72Å; W239-F312 HydrophobicContact CD2-CE1 3.72Å; W239-F312 AromaticContact CE2-CD1 3.75Å; W239-F312 AromaticContact CE2-CE1 3.8Å; W239-F312 AromaticContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CE1 4.3Å; W239-F312 HydrophobicContact CE3-CG 4.5Å; W239-F312 AromaticContact CG-CD1 3.97Å; W239-F312 HydrophobicContact CG-CD1 3.97Å; W239-F312 AromaticContact CG-CE1 3.76Å; W239-F312 HydrophobicContact CG-CE1 3.76Å; W239-F312 HydrophobicContact CH2-CD1 4.1Å; W239-F312 HydrophobicContact CZ2-CD1 4.06Å; W239-F312 HydrophobicContact CZ2-CE1 4.39Å; W239-F312 HydrophobicContact CZ3-CB 4.42Å; W239-F312 AromaticContact CZ3-CD1 3.89Å; W239-F312 HydrophobicContact CZ3-CD1 3.89Å; W239-F312 AromaticContact NE1-CE1 3.89Å; C243-F312 HydrophobicContact CB-CD1 4.03Å; C243-F312 HydrophobicContact CB-CD2 4.13Å; C243-F312 HydrophobicContact CB-CE1 3.57Å; C243-F312 HydrophobicContact CB-CE2 3.67Å; C243-F312 HydrophobicContact CB-CG 4.28Å; C243-F312 HydrophobicContact CB-CZ 3.36Å; C243-F312 WeakPolarHBondContact O-CZ 3.48Å; C243-F312 WeakPolarHBondContact SG-CD2 3.14Å; C243-F312 WeakPolarHBondContact SG-CE2 3.34Å; R273-F312 HydrophobicContact CB-CE1 3.79Å; R273-F312 HydrophobicContact CB-CZ 4.28Å; R273-F312 HydrophobicContact CG-CE1 4.39Å; R273-F312 VanDerWaalsContact CZ-CD2 3.46Å; R273-F312 VanDerWaalsContact NE-CZ 3.3Å; R273-F312 VanDerWaalsContact NH1-CE2 3.31Å; R273-F312 VanDerWaalsContact NH1-CG 3.34Å; N309-F312 HydrophobicContact CB-CD2 4.47Å; N309-F312 PolarHBondContact O-N 3.42Å; H310-F312 PolarHBondContact O-N 2.97Å; F312-T314 PolarHBondContact O-N 2.92Å; F312-L328 HydrophobicContact CB-CD1 4.02Å; F312-L328 HydrophobicContact CD1-CD1 4.15Å; F312-L328 HydrophobicContact CG-CD1 4.32Å
313C96.8Very high96.4Very high34 Ų3462.1 Ų62.123%0.2334%0.341CS..  trans-79.9109.5172.5-1730000109.9H310 E315 C322H310-C313 WeakPolarHBondContact O-CB 3.07Å; H310-C313 PolarHBondContact O-N 2.87Å; H310-C313 VanDerWaalsContact O-N 3.13Å; C313-E315 PolarHBondContact SG-O 2.68Å; C313-C322 HydrophobicContact CB-CB 3.83Å; C313-C322 WeakPolarHBondContact CB-SG 3.38Å; C313-C322 VanDerWaalsContact SG-CA 3.55Å; C313-C322 WeakPolarHBondContact SG-CB 3.25Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 2.89Å
314T95Very high96.4Very high69 Ų6961.2 Ų61.242%0.42334%0.336SS..  trans-85.5-24.6-172.555.90000114W239 F312 D329W239-T314 HydrophobicContact CE3-CG2 4.5Å; W239-T314 HydrophobicContact CZ3-CG2 3.75Å; F312-T314 PolarHBondContact O-N 2.92Å; T314-D329 WeakPolarHBondContact CB-OD2 3.27Å; T314-D329 HydrophobicContact CG2-CB 3.97Å; T314-D329 WeakPolarHBondContact OG1-CB 3.45Å; T314-D329 PolarHBondContact OG1-OD2 3.29Å
315E93.1Very high96.5Very high48 Ų4859.1 Ų59.122%0.22432%0.316CS..  trans-157.4171.5-176.962.380.4-109.900110.9C313 V317 I318 S319C313-E315 PolarHBondContact SG-O 2.68Å; E315-V317 PolarHBondContact OE1-N 2.73Å; E315-V317 WeakPolarHBondContact OE2-CA 3.16Å; E315-V317 WeakPolarHBondContact OE2-CB 3.28Å; E315-V317 PolarHBondContact OE2-N 3.02Å; E315-I318 VanDerWaalsContact OE1-CA 3.27Å; E315-I318 WeakPolarHBondContact OE1-CA 3.45Å; E315-I318 VanDerWaalsContact OE1-CB 3.22Å; E315-I318 WeakPolarHBondContact OE1-CB 3.39Å; E315-I318 PolarHBondContact OE1-N 2.94Å; E315-I318 PolarHBondContact OE2-N 3.19Å; E315-S319 WeakPolarHBondContact O-CB 3.34Å; E315-S319 PolarHBondContact O-OG 3.01Å; E315-S319 PolarHBondContact OE1-N 3.46Å
316K95.2Very high96.5Very high142 Ų14254.3 Ų54.362%0.61729%0.294SS*.SBendtrans-111.2-7-172.4-66.8-176.7176-171.80115.2S319 N321K316-S319 WeakPolarHBondContact CA-OG 3.34Å; K316-N321 WeakPolarHBondContact CD-OD1 3.14Å; K316-N321 PolarHBondContact O-N 2.84Å
317V95Very high96.6Very high115 Ų11555.5 Ų55.570%0.69730%0.302SS*.THydrogen-bonded Turntrans-92.6-49.6-173.4-179.60000111.1E315E315-V317 PolarHBondContact OE1-N 2.73Å; E315-V317 WeakPolarHBondContact OE2-CA 3.16Å; E315-V317 WeakPolarHBondContact OE2-CB 3.28Å; E315-V317 PolarHBondContact OE2-N 3.02Å
318I95.6Very high96.6Very high21 Ų2151.9 Ų51.911%0.10828%0.278CS..THydrogen-bonded Turntrans-75-37.7176.7-54.1-50.7000110.8E315 N320 L392 K394 N408 I410E315-I318 VanDerWaalsContact OE1-CA 3.27Å; E315-I318 WeakPolarHBondContact OE1-CA 3.45Å; E315-I318 VanDerWaalsContact OE1-CB 3.22Å; E315-I318 WeakPolarHBondContact OE1-CB 3.39Å; E315-I318 PolarHBondContact OE1-N 2.94Å; E315-I318 PolarHBondContact OE2-N 3.19Å; I318-N320 PolarHBondContact O-N 3.06Å; I318-L392 HydrophobicContact CD1-CD1 4.13Å; I318-L392 HydrophobicContact CD1-CD2 4.36Å; I318-L392 HydrophobicContact CG1-CD1 4.36Å; I318-L392 HydrophobicContact CG1-CD2 3.87Å; I318-L392 HydrophobicContact CG2-CD1 4.26Å; I318-L392 HydrophobicContact CG2-CD2 4.43Å; I318-K394 HydrophobicContact CD1-CD 4.48Å; I318-N408 HydrophobicContact CD1-CB 4.02Å; I318-N408 WeakPolarHBondContact CD1-ND2 3.14Å; I318-I410 HydrophobicContact CG2-CD1 4.13Å
319S95.1Very high96.7Very high19 Ų1948 Ų4813%0.13326%0.256CS..THydrogen-bonded Turntrans-77.20.4178.9740000114.4E315 K316 C322 T323 S324E315-S319 WeakPolarHBondContact O-CB 3.34Å; E315-S319 PolarHBondContact O-OG 3.01Å; E315-S319 PolarHBondContact OE1-N 3.46Å; K316-S319 WeakPolarHBondContact CA-OG 3.34Å; S319-C322 CarbonylContact O-C 3.59Å; S319-C322 PolarHBondContact O-N 2.99Å; S319-C322 VanDerWaalsContact O-N 3.17Å; S319-C322 WeakPolarHBondContact OG-CA 3.36Å; S319-C322 PolarHBondContact OG-N 3.24Å; S319-T323 PolarHBondContact O-N 3.24Å; S319-S324 PolarHBondContact O-N 3.4Å; S319-S324 PolarHBondContact O-OG 2.84Å
320N95.7Very high96.7Very high102 Ų10247.4 Ų47.455%0.54525%0.254SS..THydrogen-bonded Turntrans49.561.4-173.8-171.830.6000112I318 C322 T323I318-N320 PolarHBondContact O-N 3.06Å; N320-C322 VanDerWaalsContact C-N 3.32Å; N320-C322 PolarHBondContact O-N 2.97Å; N320-T323 WeakPolarHBondContact CB-OG1 3.26Å; N320-T323 PolarHBondContact ND2-OG1 3.29Å; N320-T323 WeakPolarHBondContact O-CB 3.4Å; N320-T323 WeakPolarHBondContact O-CG2 3.38Å; N320-T323 PolarHBondContact O-N 3.49Å; N320-T323 PolarHBondContact O-OG1 2.99Å
321N96.8Very high96.7Very high103 Ų10343.8 Ų43.855%0.55124%0.239SC*.THydrogen-bonded Turntrans54.144.7-174-163.738.9000113.2K316 T323K316-N321 WeakPolarHBondContact CD-OD1 3.14Å; K316-N321 PolarHBondContact O-N 2.84Å; N321-T323 VanDerWaalsContact C-N 3.32Å; N321-T323 PolarHBondContact O-N 3.49Å
322C96.7Very high96.7Very high26 Ų2649.4 Ų49.418%0.17626%0.262CS..THydrogen-bonded Turntrans59.336.4-178.2-52.20000114P303 C313 S319 N320P303-C322 WeakPolarHBondContact CD-O 3.34Å; P303-C322 HydrophobicContact CG-CB 4.2Å; C313-C322 HydrophobicContact CB-CB 3.83Å; C313-C322 WeakPolarHBondContact CB-SG 3.38Å; C313-C322 VanDerWaalsContact SG-CA 3.55Å; C313-C322 WeakPolarHBondContact SG-CB 3.25Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 2.89Å; S319-C322 CarbonylContact O-C 3.59Å; S319-C322 PolarHBondContact O-N 2.99Å; S319-C322 VanDerWaalsContact O-N 3.17Å; S319-C322 WeakPolarHBondContact OG-CA 3.36Å; S319-C322 PolarHBondContact OG-N 3.24Å; N320-C322 VanDerWaalsContact C-N 3.32Å; N320-C322 PolarHBondContact O-N 2.97Å
323T97.3Very high96.6Very high55 Ų5549.6 Ų49.634%0.33727%0.266SS..THydrogen-bonded Turntrans-104.4-29.7175.963.40000112.9S302 V304 S319 N320 N321S302-T323 VanDerWaalsContact CB-O 3.25Å; S302-T323 WeakPolarHBondContact CB-O 3.27Å; S302-T323 PolarHBondContact OG-O 3.45Å; S302-T323 VanDerWaalsContact OG-O 3.09Å; V304-T323 HydrophobicContact CG2-CG2 4.08Å; S319-T323 PolarHBondContact O-N 3.24Å; N320-T323 WeakPolarHBondContact CB-OG1 3.26Å; N320-T323 PolarHBondContact ND2-OG1 3.29Å; N320-T323 WeakPolarHBondContact O-CB 3.4Å; N320-T323 WeakPolarHBondContact O-CG2 3.38Å; N320-T323 PolarHBondContact O-N 3.49Å; N320-T323 PolarHBondContact O-OG1 2.99Å; N321-T323 VanDerWaalsContact C-N 3.32Å; N321-T323 PolarHBondContact O-N 3.49Å
324S97.6Very high96.6Very high14 Ų1451.2 Ų51.210%0.09827%0.269CS..  trans-66.3149.5173.8-51.60000111.5S319 S350 D352S319-S324 PolarHBondContact O-N 3.4Å; S319-S324 PolarHBondContact O-OG 2.84Å; S324-S350 WeakPolarHBondContact CA-OG 3.41Å; S324-D352 WeakPolarHBondContact CB-OD2 3.4Å; S324-D352 PolarHBondContact OG-OD2 2.91Å
325Y97.9Very high96.6Very high65 Ų6554.7 Ų54.726%0.25528%0.28SS..  trans-147.8171.1-172.959.9-93.5000113.2S302 Q305 V327 H348 A349 S350S302-Y325 VanDerWaalsContact N-CB 3.28Å; Q305-Y325 VanDerWaalsContact NE2-CD1 3.35Å; Y325-V327 VanDerWaalsContact C-N 3.31Å; Y325-H348 WeakPolarHBondContact CD2-O 3.41Å; Y325-H348 WeakPolarHBondContact CE2-O 3.4Å; Y325-A349 VanDerWaalsContact O-CA 3.29Å; Y325-A349 WeakPolarHBondContact O-CA 3.4Å; Y325-A349 WeakPolarHBondContact O-CB 3.28Å; Y325-S350 VanDerWaalsContact CE1-CB 3.46Å; Y325-S350 PolarHBondContact N-OG 2.87Å; Y325-S350 PolarHBondContact O-N 3.12Å
326G97.6Very high96.7Very high1 Ų153.8 Ų53.81%0.0128%0.284CS..SBendtrans81.84.6-177.300000115.2F300 S342F300-G326 PolarHBondContact O-N 3.42Å; G326-S342 WeakPolarHBondContact O-CB 3.35Å
327V98.1Very high96.8Very high31 Ų3151.4 Ų51.419%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-131.8149.7176.9-62.40000110.8Y325 Y340 I341 F346 I353 I410Y325-V327 VanDerWaalsContact C-N 3.31Å; V327-Y340 HydrophobicContact CB-CD1 4.18Å; V327-Y340 HydrophobicContact CG2-CD1 4.2Å; V327-I341 CarbonylContact C-O 3.42Å; V327-I341 VanDerWaalsContact CA-O 3.31Å; V327-I341 WeakPolarHBondContact CA-O 3.15Å; V327-F346 HydrophobicContact CG1-CD1 4.26Å; V327-F346 HydrophobicContact CG1-CE1 4.25Å; V327-I353 HydrophobicContact CG1-CD1 4.4Å; V327-I353 HydrophobicContact CG1-CG1 4.37Å; V327-I353 HydrophobicContact CG1-CG2 3.62Å; V327-I353 HydrophobicContact CG2-CD1 3.96Å; V327-I353 HydrophobicContact CG2-CG1 4.46Å; V327-I410 HydrophobicContact CG2-CD1 4.4Å
328L98.3Very high96.9Very high8 Ų846 Ų464%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-130.2117.3179.2-176.871.5000109.9W239 R273 F312 I330 Y340 I341W239-L328 HydrophobicContact CH2-CD1 3.58Å; W239-L328 HydrophobicContact CH2-CD2 4.4Å; W239-L328 HydrophobicContact CH2-CG 3.95Å; W239-L328 HydrophobicContact CZ2-CD1 4.16Å; W239-L328 HydrophobicContact CZ2-CD2 4.32Å; W239-L328 HydrophobicContact CZ2-CG 4.36Å; W239-L328 HydrophobicContact CZ3-CD1 4.22Å; R273-L328 VanDerWaalsContact CD-CD2 3.49Å; R273-L328 HydrophobicContact CG-CD2 4Å; F312-L328 HydrophobicContact CB-CD1 4.02Å; F312-L328 HydrophobicContact CD1-CD1 4.15Å; F312-L328 HydrophobicContact CG-CD1 4.32Å; L328-I330 HydrophobicContact CD2-CG2 3.71Å; L328-I330 HydrophobicContact CG-CG2 3.82Å; L328-I330 PolarHBondContact O-N 2.85Å; L328-Y340 CarbonylContact O-C 3.59Å; L328-Y340 VanDerWaalsContact O-CA 3.27Å; L328-Y340 WeakPolarHBondContact O-CA 3.43Å; L328-I341 PolarHBondContact N-O 2.83Å; L328-I341 PolarHBondContact O-N 2.85Å
329D98.3Very high97.1Very high14 Ų1445.7 Ų45.78%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-74.6109.5172.81776.1000110.3W239 T314 S331 Y340W239-D329 WeakPolarHBondContact CH2-O 3.18Å; T314-D329 WeakPolarHBondContact CB-OD2 3.27Å; T314-D329 HydrophobicContact CG2-CB 3.97Å; T314-D329 WeakPolarHBondContact OG1-CB 3.45Å; T314-D329 PolarHBondContact OG1-OD2 3.29Å; D329-S331 WeakPolarHBondContact OD1-CB 3.32Å; D329-S331 PolarHBondContact OD1-N 2.02Å; D329-S331 PolarHBondContact OD1-OG 2.99Å; D329-S331 PolarHBondContact OD2-OG 3.35Å; D329-Y340 HydrophobicContact CB-CD1 4.12Å; D329-Y340 HydrophobicContact CB-CE1 3.61Å; D329-Y340 HydrophobicContact CB-CE2 4.24Å
330I98.1Very high97.2Very high2 Ų245.2 Ų45.21%0.0123%0.233CC..  trans-106.520.6179.565161.2000112.3W239 L328 K332 C333 K334 V339 I341W239-I330 HydrophobicContact CZ2-CG2 4.48Å; L328-I330 HydrophobicContact CD2-CG2 3.71Å; L328-I330 HydrophobicContact CG-CG2 3.82Å; L328-I330 PolarHBondContact O-N 2.85Å; I330-K332 PolarHBondContact O-N 3.26Å; I330-K332 VanDerWaalsContact O-N 3.13Å; I330-C333 PolarHBondContact O-N 2.6Å; I330-C333 VanDerWaalsContact O-N 3.12Å; I330-C333 PolarHBondContact O-SG 2.79Å; I330-K334 HydrophobicContact CD1-CD 4.4Å; I330-K334 HydrophobicContact CD1-CG 3.9Å; I330-K334 HydrophobicContact CG1-CG 4.08Å; I330-K334 PolarHBondContact O-N 3.4Å; I330-V339 HydrophobicContact CD1-CB 4.42Å; I330-V339 HydrophobicContact CD1-CG1 3.91Å; I330-V339 HydrophobicContact CG1-CB 3.95Å; I330-V339 HydrophobicContact CG1-CG1 3.87Å; I330-V339 WeakPolarHBondContact CG1-O 3.31Å; I330-V339 PolarHBondContact N-O 2.69Å; I330-I341 HydrophobicContact CD1-CD1 3.86Å; I330-I341 HydrophobicContact CD1-CG1 3.52Å; I330-I341 HydrophobicContact CG1-CG1 3.99Å; I330-I341 HydrophobicContact CG2-CG1 4.21Å
331S97.5Very high97.4Very high18 Ų1840.8 Ų40.813%0.12621%0.209CC..G310 helixtrans-53.2-37.3-176.256.30000113.6D329 C333 K334 Q335 G336 R337D329-S331 WeakPolarHBondContact OD1-CB 3.32Å; D329-S331 PolarHBondContact OD1-N 2.02Å; D329-S331 PolarHBondContact OD1-OG 2.99Å; D329-S331 PolarHBondContact OD2-OG 3.35Å; S331-C333 PolarHBondContact O-N 3.32Å; S331-K334 CarbonylContact O-C 3.56Å; S331-K334 VanDerWaalsContact O-C 3.28Å; S331-K334 WeakPolarHBondContact O-CA 3.45Å; S331-K334 PolarHBondContact O-N 3.33Å; S331-Q335 PolarHBondContact O-N 3.29Å; S331-G336 WeakPolarHBondContact O-CA 3.49Å; S331-G336 PolarHBondContact O-N 2.88Å; S331-R337 WeakPolarHBondContact CA-O 3.47Å; S331-R337 WeakPolarHBondContact CB-O 3.06Å
332K96.9Very high97.5Very high129 Ų12936 Ų3656%0.56118%0.183SC*.G310 helixtrans-62.2-36.4-179.6-166.2162.9164.5-1650113.6S237 Y238 I330S237-K332 WeakPolarHBondContact O-CE 3.04Å; S237-K332 PolarHBondContact O-NZ 3.34Å; Y238-K332 HydrophobicContact CD1-CG 4.21Å; Y238-K332 WeakPolarHBondContact O-CD 3.48Å; Y238-K332 WeakPolarHBondContact O-CE 3.49Å; Y238-K332 PolarHBondContact O-NZ 3.42Å; I330-K332 PolarHBondContact O-N 3.26Å; I330-K332 VanDerWaalsContact O-N 3.13Å
333C96.9Very high97.5Very high26 Ų2635 Ų3518%0.17618%0.176CC..G310 helixtrans-86.7-6.9173.974.70000113.3Y238 C272 I330 S331Y238-C333 HydrophobicContact CD1-CB 4.22Å; Y238-C333 HydrophobicContact CD2-CB 3.81Å; Y238-C333 HydrophobicContact CE1-CB 3.94Å; Y238-C333 HydrophobicContact CE2-CB 3.5Å; Y238-C333 HydrophobicContact CG-CB 4.19Å; C272-C333 HydrophobicContact CB-CB 3.61Å; C272-C333 WeakPolarHBondContact CB-SG 3.17Å; C272-C333 WeakPolarHBondContact SG-CB 3.25Å; C272-C333 CovalentContact SG-SG 2.01Å; C272-C333 PolarHBondContact SG-SG 2.74Å; I330-C333 PolarHBondContact O-N 2.6Å; I330-C333 VanDerWaalsContact O-N 3.12Å; I330-C333 PolarHBondContact O-SG 2.79Å; S331-C333 PolarHBondContact O-N 3.32Å
334K96.8Very high97.6Very high68 Ų6832.4 Ų32.430%0.29616%0.16SC..G310 helixtrans-109.532.6176.8-58.8-60.5-179.9-178.80112.3I330 S331 G336 R337 V339I330-K334 HydrophobicContact CD1-CD 4.4Å; I330-K334 HydrophobicContact CD1-CG 3.9Å; I330-K334 HydrophobicContact CG1-CG 4.08Å; I330-K334 PolarHBondContact O-N 3.4Å; S331-K334 CarbonylContact O-C 3.56Å; S331-K334 VanDerWaalsContact O-C 3.28Å; S331-K334 WeakPolarHBondContact O-CA 3.45Å; S331-K334 PolarHBondContact O-N 3.33Å; K334-G336 VanDerWaalsContact C-N 3.25Å; K334-G336 PolarHBondContact O-N 3.43Å; K334-R337 HydrophobicContact CB-CB 4.4Å; K334-R337 WeakPolarHBondContact O-CB 3.26Å; K334-R337 WeakPolarHBondContact O-CG 3.46Å; K334-R337 PolarHBondContact O-N 2.67Å; K334-R337 PolarHBondContact O-NE 3.2Å; K334-R337 PolarHBondContact O-NH2 3.36Å; K334-V339 HydrophobicContact CB-CB 4.44Å; K334-V339 HydrophobicContact CB-CG2 3.98Å; K334-V339 HydrophobicContact CG-CB 4.14Å; K334-V339 HydrophobicContact CG-CG2 4.01Å
335Q94.1Very high97.7Very high141 Ų14132 Ų3266%0.65916%0.157SC*.THydrogen-bonded Turntrans55.438.7174.9-58.7162.7-31.400112.8S331 R337S331-Q335 PolarHBondContact O-N 3.29Å; Q335-R337 VanDerWaalsContact C-N 3.28Å; Q335-R337 PolarHBondContact O-N 2.88Å
336G95.3Very high97.7Very high29 Ų2929.2 Ų29.230%0.29915%0.146SC..THydrogen-bonded Turntrans790.3179.900000114.9H147 I148 S331 K334H147-G336 PolarHBondContact CD2-O 2.87Å; H147-G336 VanDerWaalsContact CD2-O 3.22Å; I148-G336 WeakPolarHBondContact CG1-O 3.34Å; S331-G336 WeakPolarHBondContact O-CA 3.49Å; S331-G336 PolarHBondContact O-N 2.88Å; K334-G336 VanDerWaalsContact C-N 3.25Å; K334-G336 PolarHBondContact O-N 3.43Å
337R97.1Very high97.7Very high92 Ų9229.8 Ų29.835%0.34715%0.149SC..  trans-66.1138.1172.7-68.5-179.4-72.4-82.42.1109.8A144 I148 S331 K334 Q335 V339A144-R337 HydrophobicContact CB-CG 4.27Å; I148-R337 HydrophobicContact CD1-CG 3.99Å; S331-R337 WeakPolarHBondContact CA-O 3.47Å; S331-R337 WeakPolarHBondContact CB-O 3.06Å; K334-R337 HydrophobicContact CB-CB 4.4Å; K334-R337 WeakPolarHBondContact O-CB 3.26Å; K334-R337 WeakPolarHBondContact O-CG 3.46Å; K334-R337 PolarHBondContact O-N 2.67Å; K334-R337 PolarHBondContact O-NE 3.2Å; K334-R337 PolarHBondContact O-NH2 3.36Å; Q335-R337 VanDerWaalsContact C-N 3.28Å; Q335-R337 PolarHBondContact O-N 2.88Å; R337-V339 HydrophobicContact CB-CG2 4.05Å; R337-V339 PolarHBondContact O-N 3.39Å
338P97.6Very high97.7Very high1 Ų131 Ų311%0.00615%0.152CC..  trans-77.659.7-17332.2-36.4000113.1A144 H147 I391 L392A144-P338 HydrophobicContact CB-CG 4.42Å; H147-P338 HydrophobicContact CB-CB 4.17Å; H147-P338 HydrophobicContact CB-CG 3.94Å; P338-I391 HydrophobicContact CG-CG2 4.25Å; P338-I391 WeakPolarHBondContact O-CA 3.33Å; P338-L392 HydrophobicContact CB-CB 4.09Å; P338-L392 WeakPolarHBondContact CG-O 3.45Å; P338-L392 PolarHBondContact O-N 3.37Å
339V98.6Very high97.7Very high15 Ų1531.5 Ų31.59%0.09116%0.157CC..EExtended strand (participates in β ladder)trans-87.9125.8-177.4-174.40000110.1I330 K334 R337 I341 V389 I391I330-V339 HydrophobicContact CD1-CB 4.42Å; I330-V339 HydrophobicContact CD1-CG1 3.91Å; I330-V339 HydrophobicContact CG1-CB 3.95Å; I330-V339 HydrophobicContact CG1-CG1 3.87Å; I330-V339 WeakPolarHBondContact CG1-O 3.31Å; I330-V339 PolarHBondContact N-O 2.69Å; K334-V339 HydrophobicContact CB-CB 4.44Å; K334-V339 HydrophobicContact CB-CG2 3.98Å; K334-V339 HydrophobicContact CG-CB 4.14Å; K334-V339 HydrophobicContact CG-CG2 4.01Å; R337-V339 HydrophobicContact CB-CG2 4.05Å; R337-V339 PolarHBondContact O-N 3.39Å; V339-I341 HydrophobicContact CG1-CD1 4.39Å; V339-V389 HydrophobicContact CG1-CG1 4.12Å; V339-I391 HydrophobicContact CB-CD1 4.41Å; V339-I391 HydrophobicContact CG2-CD1 3.85Å
340Y98.6Very high97.6Very high10 Ų1031 Ų314%0.03916%0.155CC..EExtended strand (participates in β ladder)trans-116.1130175-78.6-107.2000110.1V327 L328 D329 N390 L392 I410V327-Y340 HydrophobicContact CB-CD1 4.18Å; V327-Y340 HydrophobicContact CG2-CD1 4.2Å; L328-Y340 CarbonylContact O-C 3.59Å; L328-Y340 VanDerWaalsContact O-CA 3.27Å; L328-Y340 WeakPolarHBondContact O-CA 3.43Å; D329-Y340 HydrophobicContact CB-CD1 4.12Å; D329-Y340 HydrophobicContact CB-CE1 3.61Å; D329-Y340 HydrophobicContact CB-CE2 4.24Å; Y340-N390 PolarHBondContact N-O 2.87Å; Y340-N390 WeakPolarHBondContact O-CA 3.38Å; Y340-N390 WeakPolarHBondContact O-CB 3.43Å; Y340-N390 PolarHBondContact O-N 3.47Å; Y340-N390 PolarHBondContact O-ND2 3.45Å; Y340-L392 HydrophobicContact CD2-CB 3.75Å; Y340-L392 HydrophobicContact CE2-CB 3.53Å; Y340-L392 HydrophobicContact CE2-CD2 3.59Å; Y340-L392 HydrophobicContact CE2-CG 4.2Å; Y340-I410 HydrophobicContact CD1-CD1 4.22Å; Y340-I410 HydrophobicContact CE1-CD1 4.38Å
341I98.6Very high97.5Very high9 Ų935.1 Ų35.15%0.04618%0.182CC..EExtended strand (participates in β ladder)trans-97.9140.3173-58.5-57.7000109.8I271 V327 L328 I330 V339 L387 Q388 V389I271-I341 HydrophobicContact CG2-CG1 4.45Å; I271-I341 HydrophobicContact CG2-CG2 3.89Å; V327-I341 CarbonylContact C-O 3.42Å; V327-I341 VanDerWaalsContact CA-O 3.31Å; V327-I341 WeakPolarHBondContact CA-O 3.15Å; L328-I341 PolarHBondContact N-O 2.83Å; L328-I341 PolarHBondContact O-N 2.85Å; I330-I341 HydrophobicContact CD1-CD1 3.86Å; I330-I341 HydrophobicContact CD1-CG1 3.52Å; I330-I341 HydrophobicContact CG1-CG1 3.99Å; I330-I341 HydrophobicContact CG2-CG1 4.21Å; V339-I341 HydrophobicContact CG1-CD1 4.39Å; I341-L387 HydrophobicContact CG2-CB 4.37Å; I341-Q388 WeakPolarHBondContact CA-O 3.35Å; I341-V389 HydrophobicContact CD1-CG2 4.15Å
342S98.6Very high97.4Very high1 Ų137.9 Ų37.91%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-141.3-179.9171.1670000110.6G326 F346 Q388 N390G326-S342 WeakPolarHBondContact O-CB 3.35Å; S342-F346 VanDerWaalsContact OG-CD1 3.3Å; S342-F346 WeakPolarHBondContact OG-CD1 3.47Å; S342-F346 WeakPolarHBondContact OG-CE1 3.3Å; S342-Q388 PolarHBondContact N-O 2.88Å; S342-Q388 PolarHBondContact O-N 2.8Å; S342-Q388 WeakPolarHBondContact OG-CB 3.25Å; S342-Q388 PolarHBondContact OG-NE2 3.45Å; S342-N390 PolarHBondContact OG-ND2 2.95Å
343L98.6Very high97.4Very high6 Ų632.2 Ų32.23%0.03117%0.171CC..  trans-76.5158.3160.9-61.5175.7000110.1F300 F346 L347F300-L343 HydrophobicContact CD2-CD1 4.38Å; F300-L343 HydrophobicContact CD2-CG 4.46Å; F300-L343 HydrophobicContact CE2-CD1 4.36Å; F300-L343 HydrophobicContact CE2-CD2 4.06Å; F300-L343 HydrophobicContact CE2-CG 4.19Å; F300-L343 HydrophobicContact CZ-CD2 4.34Å; L343-F346 PolarHBondContact O-N 3.41Å; L343-F346 VanDerWaalsContact O-N 3.12Å; L343-L347 HydrophobicContact CB-CB 3.9Å; L343-L347 HydrophobicContact CD1-CB 4.39Å; L343-L347 HydrophobicContact CD1-CD2 4.23Å; L343-L347 HydrophobicContact CD1-CG 4.39Å
344P98.8Very high97.3Very high0 Ų032.9 Ų32.90%018%0.176CC..G310 helixtrans-55141.6177.2-21.730.5000113F346 L347 H367 R386 W415P344-F346 PolarHBondContact O-N 3.5Å; P344-F346 VanDerWaalsContact O-N 3.1Å; P344-L347 WeakPolarHBondContact O-CB 3.43Å; P344-L347 PolarHBondContact O-N 2.79Å; P344-H367 HydrophobicContact CB-CB 3.82Å; P344-H367 WeakPolarHBondContact CD-O 3.31Å; P344-H367 HydrophobicContact CG-CB 4.06Å; P344-R386 HydrophobicContact CG-CB 3.88Å; P344-W415 HydrophobicContact CB-CB 3.9Å; P344-W415 HydrophobicContact CB-CD2 3.77Å; P344-W415 HydrophobicContact CB-CE3 3.89Å; P344-W415 HydrophobicContact CB-CG 3.79Å; P344-W415 HydrophobicContact CG-CB 4.14Å; P344-W415 HydrophobicContact CG-CD2 4.08Å; P344-W415 HydrophobicContact CG-CE3 3.7Å; P344-W415 HydrophobicContact CG-CG 4.3Å; P344-W415 HydrophobicContact CG-CZ3 4.38Å
345H98.6Very high97.3Very high7 Ų734.1 Ų34.13%0.03218%0.183CC..G310 helixtrans5424.5-174.8-67.2-98.4000114.3F68 Q87 L347 L360 N361 P362 H367 W415F68-H345 AromaticContact CE1-CE1 3.72Å; F68-H345 AromaticContact CZ-CE1 3.98Å; F68-H345 AromaticContact CZ-NE2 3.91Å; Q87-H345 PolarHBondContact OE1-CE1 3.33Å; Q87-H345 PolarHBondContact OE1-NE2 2.74Å; H345-L347 PolarHBondContact O-N 3.05Å; H345-L360 HydrophobicContact CB-CB 4.41Å; H345-L360 WeakPolarHBondContact ND1-CA 3.33Å; H345-N361 PolarHBondContact ND1-N 3.37Å; H345-P362 HydrophobicContact CB-CB 4.11Å; H345-H367 AromaticContact CD2-CE1 3.15Å; H345-H367 PolarHBondContact CD2-CE1 2.93Å; H345-H367 AromaticContact CD2-ND1 3.86Å; H345-H367 AromaticContact CD2-NE2 3.33Å; H345-H367 PolarHBondContact CD2-NE2 3.27Å; H345-H367 VanDerWaalsContact CD2-NE2 3.33Å; H345-H367 AromaticContact CG-CE1 3.6Å; H345-H367 AromaticContact NE2-CE1 3.97Å; H345-H367 AromaticContact NE2-NE2 3.95Å; H345-W415 AromaticContact CD2-NE1 3.96Å; H345-W415 AromaticContact NE2-NE1 3.55Å
346F98.6Very high97.4Very high6 Ų628 Ų283%0.02616%0.155CC..G310 helixtrans5636.9-173.3-60-58.5000113.3V327 S342 L343 P344 H348 A349 I353 I357 L360 Q388 N390 I410 P412V327-F346 HydrophobicContact CG1-CD1 4.26Å; V327-F346 HydrophobicContact CG1-CE1 4.25Å; S342-F346 VanDerWaalsContact OG-CD1 3.3Å; S342-F346 WeakPolarHBondContact OG-CD1 3.47Å; S342-F346 WeakPolarHBondContact OG-CE1 3.3Å; L343-F346 PolarHBondContact O-N 3.41Å; L343-F346 VanDerWaalsContact O-N 3.12Å; P344-F346 PolarHBondContact O-N 3.5Å; P344-F346 VanDerWaalsContact O-N 3.1Å; F346-H348 PolarHBondContact O-N 3.29Å; F346-A349 HydrophobicContact CB-CB 3.74Å; F346-A349 VanDerWaalsContact O-CB 3.24Å; F346-A349 WeakPolarHBondContact O-CB 3.49Å; F346-A349 PolarHBondContact O-N 3.14Å; F346-I353 HydrophobicContact CD1-CG2 3.8Å; F346-I353 HydrophobicContact CD2-CG2 4.31Å; F346-I353 HydrophobicContact CE1-CG2 3.85Å; F346-I353 HydrophobicContact CE2-CG2 4.39Å; F346-I353 HydrophobicContact CG-CG2 4.07Å; F346-I353 HydrophobicContact CZ-CG2 4.17Å; F346-I357 HydrophobicContact CE2-CG1 4.26Å; F346-L360 HydrophobicContact CD2-CD1 3.39Å; F346-L360 HydrophobicContact CE2-CD1 3.85Å; F346-L360 HydrophobicContact CG-CD1 4.49Å; F346-Q388 VanDerWaalsContact CE1-NE2 3.29Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.22Å; F346-N390 VanDerWaalsContact CZ-OD1 3.23Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.37Å; F346-I410 HydrophobicContact CE1-CG2 4.12Å; F346-I410 HydrophobicContact CZ-CG2 4.04Å; F346-P412 HydrophobicContact CE2-CB 4.4Å; F346-P412 HydrophobicContact CE2-CG 4.34Å; F346-P412 HydrophobicContact CZ-CB 4.25Å
347L98.4Very high97.6Very high12 Ų1227.2 Ų27.26%0.06314%0.144CC..THydrogen-bonded Turntrans-51.5133.2170.2-179.170.6000110L343 P344 H345 A349 P362 H367L343-L347 HydrophobicContact CB-CB 3.9Å; L343-L347 HydrophobicContact CD1-CB 4.39Å; L343-L347 HydrophobicContact CD1-CD2 4.23Å; L343-L347 HydrophobicContact CD1-CG 4.39Å; P344-L347 WeakPolarHBondContact O-CB 3.43Å; P344-L347 PolarHBondContact O-N 2.79Å; H345-L347 PolarHBondContact O-N 3.05Å; L347-A349 PolarHBondContact O-N 2.64Å; L347-P362 HydrophobicContact CB-CB 4.26Å; L347-P362 HydrophobicContact CD1-CB 4.1Å; L347-H367 HydrophobicContact CB-CB 4.14Å; L347-H367 HydrophobicContact CD2-CB 3.85Å
348H96.9Very high97.7Very high58 Ų5827.5 Ų27.527%0.26915%0.149SC..THydrogen-bonded Turntrans61.718.9-175.9-57.6-43.1000115.7A297 Y325 F346 E364A297-H348 HydrophobicContact CB-CB 4.01Å; Y325-H348 WeakPolarHBondContact CD2-O 3.41Å; Y325-H348 WeakPolarHBondContact CE2-O 3.4Å; F346-H348 PolarHBondContact O-N 3.29Å; H348-E364 IonicContact CE1-OE1 3.96Å; H348-E364 IonicContact CE1-OE2 2.76Å; H348-E364 PolarHBondContact CE1-OE2 3.05Å; H348-E364 VanDerWaalsContact NE2-CD 3.35Å; H348-E364 IonicContact NE2-OE1 2.65Å; H348-E364 PolarHBondContact NE2-OE1 3.12Å; H348-E364 IonicContact NE2-OE2 3.36Å; H348-E364 PolarHBondContact NE2-OE2 3.33Å
349A97.8Very high97.7Very high17 Ų1729.8 Ų29.814%0.1417%0.173CC..  trans-94.4159.117400000113.7Y325 F346 L347 I353Y325-A349 VanDerWaalsContact O-CA 3.29Å; Y325-A349 WeakPolarHBondContact O-CA 3.4Å; Y325-A349 WeakPolarHBondContact O-CB 3.28Å; F346-A349 HydrophobicContact CB-CB 3.74Å; F346-A349 VanDerWaalsContact O-CB 3.24Å; F346-A349 WeakPolarHBondContact O-CB 3.49Å; F346-A349 PolarHBondContact O-N 3.14Å; L347-A349 PolarHBondContact O-N 2.64Å; A349-I353 HydrophobicContact CB-CB 4.4Å; A349-I353 HydrophobicContact CB-CG2 4.45Å
350S97.1Very high97.7Very high3 Ų330.8 Ų30.82%0.02118%0.178CC..  trans-69.6148.817859.30000111.9S324 Y325 D352 I353S324-S350 WeakPolarHBondContact CA-OG 3.41Å; Y325-S350 VanDerWaalsContact CE1-CB 3.46Å; Y325-S350 PolarHBondContact N-OG 2.87Å; Y325-S350 PolarHBondContact O-N 3.12Å; S350-D352 WeakPolarHBondContact CB-OD1 3.46Å; S350-D352 PolarHBondContact O-N 3.05Å; S350-D352 PolarHBondContact OG-OD1 3.26Å; S350-I353 WeakPolarHBondContact O-CB 3.17Å; S350-I353 PolarHBondContact O-N 3.38Å; S350-I353 WeakPolarHBondContact OG-CG1 3.42Å
351P96.2Very high97.6Very high90 Ų9036.1 Ų36.158%0.58421%0.207SC*.Hα-helixtrans-57.6-33.4-176.4-2835.8000114.3I353 S354 E355P351-I353 PolarHBondContact O-N 3.1Å; P351-S354 PolarHBondContact O-N 3.39Å; P351-S354 PolarHBondContact O-OG 3.32Å; P351-E355 WeakPolarHBondContact O-CB 3.4Å; P351-E355 PolarHBondContact O-N 2.89Å
352D95.7Very high97.6Very high76 Ų7638.9 Ų38.941%0.40623%0.226SC..Hα-helixtrans-61.7-23.9177.358.8-64.2000113.8S324 S350 P356S324-D352 WeakPolarHBondContact CB-OD2 3.4Å; S324-D352 PolarHBondContact OG-OD2 2.91Å; S350-D352 WeakPolarHBondContact CB-OD1 3.46Å; S350-D352 PolarHBondContact O-N 3.05Å; S350-D352 PolarHBondContact OG-OD1 3.26Å; D352-P356 WeakPolarHBondContact O-CD 3.25Å
353I96.8Very high97.6Very high9 Ų942.1 Ų42.15%0.04624%0.243CC..Hα-helixtrans-78.6-41.5176.4-56.7-65.2000111V327 F346 A349 S350 P351 I410V327-I353 HydrophobicContact CG1-CD1 4.4Å; V327-I353 HydrophobicContact CG1-CG1 4.37Å; V327-I353 HydrophobicContact CG1-CG2 3.62Å; V327-I353 HydrophobicContact CG2-CD1 3.96Å; V327-I353 HydrophobicContact CG2-CG1 4.46Å; F346-I353 HydrophobicContact CD1-CG2 3.8Å; F346-I353 HydrophobicContact CD2-CG2 4.31Å; F346-I353 HydrophobicContact CE1-CG2 3.85Å; F346-I353 HydrophobicContact CE2-CG2 4.39Å; F346-I353 HydrophobicContact CG-CG2 4.07Å; F346-I353 HydrophobicContact CZ-CG2 4.17Å; A349-I353 HydrophobicContact CB-CB 4.4Å; A349-I353 HydrophobicContact CB-CG2 4.45Å; S350-I353 WeakPolarHBondContact O-CB 3.17Å; S350-I353 PolarHBondContact O-N 3.38Å; S350-I353 WeakPolarHBondContact OG-CG1 3.42Å; P351-I353 PolarHBondContact O-N 3.1Å; I353-I410 HydrophobicContact CD1-CD1 3.63Å; I353-I410 HydrophobicContact CG2-CD1 4.43Å
354S95.3Very high97.5Very high41 Ų4145.6 Ų45.629%0.28726%0.259SS..Hα-helixtrans-89.8-29.2-173.852.40000113.4P351 P356 I357P351-S354 PolarHBondContact O-N 3.39Å; P351-S354 PolarHBondContact O-OG 3.32Å; S354-P356 VanDerWaalsContact C-CD 3.4Å; S354-P356 VanDerWaalsContact C-N 3.33Å; S354-I357 PolarHBondContact O-N 3.24Å; S354-I357 VanDerWaalsContact O-O 3.05Å
355E95.7Very high97.3Very high94 Ų9452.3 Ų52.344%0.43929%0.29SS..THydrogen-bonded Turntrans-53.1-36.6-177.1-169.2-82.115200115.1K82 P351 I357 R407K82-E355 WeakPolarHBondContact CD-O 3.33Å; K82-E355 VanDerWaalsContact CE-O 3.22Å; K82-E355 WeakPolarHBondContact CE-O 3.49Å; K82-E355 WeakPolarHBondContact CE-OE1 3.33Å; K82-E355 PolarHBondContact NZ-O 2.95Å; K82-E355 IonicContact NZ-OE1 3.93Å; K82-E355 PolarHBondContact NZ-OE1 3.3Å; P351-E355 WeakPolarHBondContact O-CB 3.4Å; P351-E355 PolarHBondContact O-N 2.89Å; E355-I357 PolarHBondContact O-N 2.81Å; E355-R407 IonicContact OE2-NH1 3.35Å
356P97.4Very high97.2Very high12 Ų1255.9 Ų55.98%0.07831%0.307CS..THydrogen-bonded Turntrans-73.2-6.6177.1-2034.8000115K82 I83 D352 S354 Y409K82-P356 VanDerWaalsContact CA-O 3.3Å; K82-P356 WeakPolarHBondContact CA-O 3.36Å; K82-P356 WeakPolarHBondContact CB-O 3.39Å; I83-P356 PolarHBondContact N-O 2.83Å; D352-P356 WeakPolarHBondContact O-CD 3.25Å; S354-P356 VanDerWaalsContact C-CD 3.4Å; S354-P356 VanDerWaalsContact C-N 3.33Å; P356-Y409 HydrophobicContact CB-CD1 3.67Å; P356-Y409 HydrophobicContact CB-CE1 3.85Å
357I98.4Very high97.2Very high12 Ų1255.6 Ų55.66%0.06231%0.306CS..EExtended strand (participates in β ladder)trans-119126-174.9-46.6-60.5000109.9I83 V85 F346 S354 E355 L360 P412I83-I357 HydrophobicContact CB-CD1 3.91Å; I83-I357 HydrophobicContact CD1-CD1 3.95Å; I83-I357 HydrophobicContact CG1-CD1 4.16Å; I83-I357 WeakPolarHBondContact O-CA 3.29Å; V85-I357 HydrophobicContact CG1-CG2 4.37Å; V85-I357 HydrophobicContact CG2-CG2 3.83Å; F346-I357 HydrophobicContact CE2-CG1 4.26Å; S354-I357 PolarHBondContact O-N 3.24Å; S354-I357 VanDerWaalsContact O-O 3.05Å; E355-I357 PolarHBondContact O-N 2.81Å; I357-L360 HydrophobicContact CB-CD1 3.86Å; I357-L360 HydrophobicContact CB-CG 4.28Å; I357-L360 HydrophobicContact CG2-CD1 3.86Å; I357-L360 HydrophobicContact CG2-CD2 4.05Å; I357-L360 HydrophobicContact CG2-CG 3.82Å; I357-P412 HydrophobicContact CG2-CG 4Å
358E98.4Very high97.2Very high98 Ų9857.9 Ų57.946%0.45831%0.314SS..EExtended strand (participates in β ladder)trans-106.1140.1177.2-174.5-176.6148.400110.1I83 K84 V85I83-E358 PolarHBondContact O-N 3.3Å; K84-E358 WeakPolarHBondContact CA-O 3.36Å; K84-E358 VanDerWaalsContact CE-OE2 3.23Å; K84-E358 WeakPolarHBondContact CE-OE2 3.22Å; K84-E358 HydrophobicContact CG-CB 4.07Å; K84-E358 HydrophobicContact CG-CG 4.38Å; V85-E358 WeakPolarHBondContact CG2-O 3.44Å; V85-E358 PolarHBondContact N-O 3Å
359G97.9Very high97.3Very high50 Ų5055.7 Ų55.752%0.51530%0.304SS..SBendtrans102.88.6-178.200000114.9
360L98.3Very high97.3Very high35 Ų3556 Ų5618%0.18330%0.302CS..  trans-86.7142.8173.7-54.9179.5000111.6F68 V85 H345 F346 I357F68-L360 HydrophobicContact CD1-CD2 4.41Å; F68-L360 HydrophobicContact CE1-CD2 3.74Å; F68-L360 HydrophobicContact CZ-CD2 4.08Å; V85-L360 HydrophobicContact CG2-CD2 4.07Å; H345-L360 HydrophobicContact CB-CB 4.41Å; H345-L360 WeakPolarHBondContact ND1-CA 3.33Å; F346-L360 HydrophobicContact CD2-CD1 3.39Å; F346-L360 HydrophobicContact CE2-CD1 3.85Å; F346-L360 HydrophobicContact CG-CD1 4.49Å; I357-L360 HydrophobicContact CB-CD1 3.86Å; I357-L360 HydrophobicContact CB-CG 4.28Å; I357-L360 HydrophobicContact CG2-CD1 3.86Å; I357-L360 HydrophobicContact CG2-CD2 4.05Å; I357-L360 HydrophobicContact CG2-CG 3.82Å
361N97.9Very high97.4Very high122 Ų12256.4 Ų56.465%0.65230%0.304SS*.  trans-141.477.3177.6-170.520.7000110.3H345 N363 H367H345-N361 PolarHBondContact ND1-N 3.37Å; N361-N363 PolarHBondContact O-N 3.36Å; N361-H367 PolarHBondContact O-CE1 3.46Å; N361-H367 VanDerWaalsContact O-CE1 3.29Å
362P97.9Very high97.5Very high67 Ų6752.1 Ų52.144%0.43528%0.276SS..  trans-65.4128.6-177.426.5-33.3000112H345 L347H345-P362 HydrophobicContact CB-CB 4.11Å; L347-P362 HydrophobicContact CB-CB 4.26Å; L347-P362 HydrophobicContact CD1-CB 4.1Å
363N98.1Very high97.6Very high70 Ų7048.5 Ų48.537%0.37426%0.257SS..  trans-129.3130.6176.3178.9-72.6000110.1N361 E365 E366 H367N361-N363 PolarHBondContact O-N 3.36Å; N363-E365 PolarHBondContact O-N 3.32Å; N363-E365 WeakPolarHBondContact OD1-CA 3.48Å; N363-E365 WeakPolarHBondContact OD1-CB 3.27Å; N363-E365 PolarHBondContact OD1-N 2.9Å; N363-E366 HydrophobicContact CB-CB 3.99Å; N363-E366 PolarHBondContact O-N 3.08Å; N363-E366 PolarHBondContact OD1-N 3.25Å; N363-H367 PolarHBondContact N-ND1 2.93Å; N363-H367 VanDerWaalsContact N-ND1 3.13Å; N363-H367 VanDerWaalsContact O-CB 3.26Å; N363-H367 WeakPolarHBondContact O-CB 3.44Å; N363-H367 PolarHBondContact O-N 3.31Å
364E96.4Very high97.6Very high79 Ų7948.1 Ų48.137%0.36926%0.255SS..Hα-helixtrans-60.4-44.9-176.3-168.166.8-15500112.2H348 R368H348-E364 IonicContact CE1-OE1 3.96Å; H348-E364 IonicContact CE1-OE2 2.76Å; H348-E364 PolarHBondContact CE1-OE2 3.05Å; H348-E364 VanDerWaalsContact NE2-CD 3.35Å; H348-E364 IonicContact NE2-OE1 2.65Å; H348-E364 PolarHBondContact NE2-OE1 3.12Å; H348-E364 IonicContact NE2-OE2 3.36Å; H348-E364 PolarHBondContact NE2-OE2 3.33Å; E364-R368 WeakPolarHBondContact O-CB 3.49Å; E364-R368 WeakPolarHBondContact O-CD 2.99Å; E364-R368 WeakPolarHBondContact O-CG 3.48Å; E364-R368 PolarHBondContact O-N 2.97Å
365E95.4Very high97.7Very high141 Ų14147 Ų4766%0.65925%0.247SC*.Hα-helixtrans-71-40.1-176.2-174.4172.2-167.900112N363 R386N363-E365 PolarHBondContact O-N 3.32Å; N363-E365 WeakPolarHBondContact OD1-CA 3.48Å; N363-E365 WeakPolarHBondContact OD1-CB 3.27Å; N363-E365 PolarHBondContact OD1-N 2.9Å; E365-R386 PolarHBondContact O-NH1 3.43Å; E365-R386 PolarHBondContact O-NH2 3.43Å
366E97.5Very high97.6Very high81 Ų8144.8 Ų44.838%0.37924%0.237SC..Hα-helixtrans-76.5-32.7-179.3-165.5178177.700112.7N363 R386N363-E366 HydrophobicContact CB-CB 3.99Å; N363-E366 PolarHBondContact O-N 3.08Å; N363-E366 PolarHBondContact OD1-N 3.25Å; E366-R386 WeakPolarHBondContact O-CD 3.36Å; E366-R386 PolarHBondContact O-NE 2.92Å; E366-R386 VanDerWaalsContact O-NE 3.11Å; E366-R386 PolarHBondContact O-NH1 3.19Å
367H98.6Very high97.4Very high1 Ų144.4 Ų44.41%0.00524%0.235CC..Hα-helixtrans-114.6-7-168-55149.9000115P344 H345 L347 N361 N363P344-H367 HydrophobicContact CB-CB 3.82Å; P344-H367 WeakPolarHBondContact CD-O 3.31Å; P344-H367 HydrophobicContact CG-CB 4.06Å; H345-H367 AromaticContact CD2-CE1 3.15Å; H345-H367 PolarHBondContact CD2-CE1 2.93Å; H345-H367 AromaticContact CD2-ND1 3.86Å; H345-H367 AromaticContact CD2-NE2 3.33Å; H345-H367 PolarHBondContact CD2-NE2 3.27Å; H345-H367 VanDerWaalsContact CD2-NE2 3.33Å; H345-H367 AromaticContact CG-CE1 3.6Å; H345-H367 AromaticContact NE2-CE1 3.97Å; H345-H367 AromaticContact NE2-NE2 3.95Å; L347-H367 HydrophobicContact CB-CB 4.14Å; L347-H367 HydrophobicContact CD2-CB 3.85Å; N361-H367 PolarHBondContact O-CE1 3.46Å; N361-H367 VanDerWaalsContact O-CE1 3.29Å; N363-H367 PolarHBondContact N-ND1 2.93Å; N363-H367 VanDerWaalsContact N-ND1 3.13Å; N363-H367 VanDerWaalsContact O-CB 3.26Å; N363-H367 WeakPolarHBondContact O-CB 3.44Å; N363-H367 PolarHBondContact O-N 3.31Å
368R97.9Very high97.3Very high59 Ų5943.8 Ų43.822%0.22323%0.232CC..  trans-68.6154.1172.671.6-172.8174.1179.3-5.2112.7E364 R386E364-R368 WeakPolarHBondContact O-CB 3.49Å; E364-R368 WeakPolarHBondContact O-CD 2.99Å; E364-R368 WeakPolarHBondContact O-CG 3.48Å; E364-R368 PolarHBondContact O-N 2.97Å; R368-R386 VanDerWaalsContact O-CD 3.29Å; R368-R386 WeakPolarHBondContact O-CD 3.36Å; R368-R386 PolarHBondContact O-NH1 3.26Å
369T98.4Very high97.2Very high12 Ų1240.7 Ų40.77%0.07422%0.216CC..  trans-95.6135.9166.5-740000110.1L295 A384 R386L295-T369 HydrophobicContact CB-CG2 4.3Å; L295-T369 HydrophobicContact CD2-CG2 4.28Å; L295-T369 PolarHBondContact N-O 3.07Å; L295-T369 VanDerWaalsContact N-O 3.11Å; T369-A384 VanDerWaalsContact CA-O 3.26Å; T369-A384 WeakPolarHBondContact CA-O 3.4Å; T369-R386 PolarHBondContact OG1-N 3.11Å; T369-R386 PolarHBondContact OG1-O 2.83Å; T369-R386 VanDerWaalsContact OG1-O 3.08Å
370Y98.5Very high97.2Very high24 Ų2439.2 Ų39.29%0.09420%0.198CC..EExtended strand (participates in β ladder)trans-141.6156175.573.8-93.9000113R292 F293 D372 Q382 F383 A384R292-Y370 HydrophobicContact CG-CD2 4.48Å; F293-Y370 CarbonylContact O-C 3.56Å; F293-Y370 WeakPolarHBondContact O-CA 3.32Å; Y370-D372 WeakPolarHBondContact CD2-OD1 3.37Å; Y370-D372 WeakPolarHBondContact CE2-OD2 3.49Å; Y370-Q382 HydrophobicContact CE2-CG 4.13Å; Y370-Q382 PolarHBondContact OH-NE2 2.89Å; Y370-F383 WeakPolarHBondContact O-CA 3.46Å; Y370-F383 WeakPolarHBondContact O-CB 3.47Å; Y370-A384 HydrophobicContact CD1-CB 3.85Å; Y370-A384 HydrophobicContact CE1-CB 3.34Å; Y370-A384 PolarHBondContact N-O 2.91Å; Y370-A384 PolarHBondContact O-N 2.89Å
371L98.6Very high97.1Very high11 Ų1138.1 Ų38.16%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-128.7125.9174-51.3172.3000107.8A251 F254 F266 R292 F293 V373 T380 F383A251-L371 HydrophobicContact CB-CD1 4.12Å; F254-L371 HydrophobicContact CE2-CD1 4.03Å; F254-L371 HydrophobicContact CZ-CD1 3.82Å; F266-L371 HydrophobicContact CD1-CD1 4.42Å; F266-L371 HydrophobicContact CE1-CD1 3.95Å; F266-L371 HydrophobicContact CZ-CD1 4.33Å; R292-L371 CarbonylContact C-O 3.54Å; R292-L371 WeakPolarHBondContact CA-O 3.44Å; F293-L371 HydrophobicContact CB-CB 4.5Å; F293-L371 PolarHBondContact N-O 3.29Å; F293-L371 PolarHBondContact O-N 3.42Å; L371-V373 HydrophobicContact CB-CG2 4.11Å; L371-T380 HydrophobicContact CB-CG2 4.29Å; L371-T380 HydrophobicContact CD2-CG2 4.33Å; L371-F383 HydrophobicContact CD2-CB 3.71Å
372D98.6Very high97.2Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-100102.7173.4-66-23000108.2V290 R292 Y370 L381 Q382V290-D372 HydrophobicContact CB-CB 4.41Å; V290-D372 HydrophobicContact CG2-CB 3.83Å; R292-D372 WeakPolarHBondContact CA-OD1 3.23Å; R292-D372 VanDerWaalsContact CB-OD1 3.32Å; R292-D372 WeakPolarHBondContact CB-OD1 3.24Å; R292-D372 WeakPolarHBondContact CG-OD1 3.41Å; R292-D372 IonicContact CZ-OD1 3.16Å; R292-D372 IonicContact CZ-OD2 2.59Å; R292-D372 IonicContact NE-OD1 3.81Å; R292-D372 PolarHBondContact NE-OD1 2.81Å; R292-D372 IonicContact NE-OD2 3.95Å; R292-D372 IonicContact NH2-OD1 3.02Å; R292-D372 PolarHBondContact NH2-OD1 3.06Å; R292-D372 IonicContact NH2-OD2 2.88Å; R292-D372 PolarHBondContact NH2-OD2 3.38Å; Y370-D372 WeakPolarHBondContact CD2-OD1 3.37Å; Y370-D372 WeakPolarHBondContact CE2-OD2 3.49Å; D372-L381 PolarHBondContact O-N 3.39Å; D372-Q382 HydrophobicContact CB-CB 4.04Å; D372-Q382 WeakPolarHBondContact CB-O 3.13Å; D372-Q382 PolarHBondContact N-O 3.45Å; D372-Q382 PolarHBondContact O-N 3.06Å
373V98.4Very high97.2Very high0 Ų032.4 Ų32.40%016%0.155CC..EExtended strand (participates in β ladder)trans-104.8126.9-170.8-177.40000109.8F254 V258 L264 V290 Y291 F293 L371 F379F254-V373 HydrophobicContact CD2-CG1 4.07Å; F254-V373 HydrophobicContact CD2-CG2 3.92Å; F254-V373 HydrophobicContact CE2-CG2 3.84Å; V258-V373 HydrophobicContact CG2-CG1 4.32Å; L264-V373 HydrophobicContact CD1-CG2 4.06Å; V290-V373 WeakPolarHBondContact CA-O 3.04Å; Y291-V373 PolarHBondContact N-O 2.9Å; Y291-V373 PolarHBondContact O-N 3.48Å; F293-V373 HydrophobicContact CD2-CB 4.17Å; F293-V373 HydrophobicContact CD2-CG2 4.04Å; F293-V373 HydrophobicContact CE2-CB 4.35Å; L371-V373 HydrophobicContact CB-CG2 4.11Å; V373-F379 WeakPolarHBondContact CA-O 3.28Å
374E96.9Very high97.2Very high2 Ų229.1 Ų29.11%0.00914%0.138CC..  trans-75.3122173.2-165.9-76.9133.600109.7I288 V290 I376 T377 G378 F379 L381 F430I288-E374 HydrophobicContact CG2-CG 3.81Å; V290-E374 HydrophobicContact CG1-CB 4.14Å; E374-I376 PolarHBondContact O-N 3.36Å; E374-I376 VanDerWaalsContact OE1-CB 3.27Å; E374-I376 WeakPolarHBondContact OE1-CB 3.18Å; E374-I376 WeakPolarHBondContact OE1-CG1 3.31Å; E374-I376 PolarHBondContact OE1-N 3.22Å; E374-I376 PolarHBondContact OE2-N 2.98Å; E374-T377 VanDerWaalsContact OE2-CB 3.26Å; E374-T377 WeakPolarHBondContact OE2-CB 3.14Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.34Å; E374-T377 PolarHBondContact OE2-N 2.97Å; E374-T377 PolarHBondContact OE2-OG1 3.08Å; E374-G378 VanDerWaalsContact O-CA 3.26Å; E374-G378 WeakPolarHBondContact O-CA 3.27Å; E374-G378 PolarHBondContact O-N 3.07Å; E374-F379 PolarHBondContact N-O 3.43Å; E374-L381 HydrophobicContact CB-CD1 3.82Å; E374-L381 HydrophobicContact CB-CG 4.06Å; E374-L381 HydrophobicContact CG-CD1 4.28Å; E374-F430 HydrophobicContact CB-CZ 4.22Å; E374-F430 HydrophobicContact CG-CE1 3.73Å; E374-F430 HydrophobicContact CG-CZ 3.65Å
375P96.1Very high97.3Very high18 Ų1826.9 Ų26.912%0.11713%0.127CC..THydrogen-bonded Turntrans-71-29.2-164.726.5-35.1000114.4F257 V258 P289 Y291F257-P375 CarbonylContact C-O 3.53Å; F257-P375 WeakPolarHBondContact CA-O 3.37Å; F257-P375 PolarHBondContact N-O 3.25Å; V258-P375 PolarHBondContact N-O 3.3Å; P289-P375 WeakPolarHBondContact O-CD 3.06Å; Y291-P375 HydrophobicContact CD2-CB 3.86Å; Y291-P375 HydrophobicContact CE1-CG 4.36Å; Y291-P375 HydrophobicContact CE2-CB 3.56Å; Y291-P375 HydrophobicContact CE2-CG 4.2Å; Y291-P375 HydrophobicContact CG-CB 4.48Å
376I93.4Very high97.5Very high47 Ų4721.8 Ų21.824%0.24110%0.102CC..THydrogen-bonded Turntrans-74.1-48.9-176.4-60.7173.6000110.3I38 P256 F257 E374I38-I376 HydrophobicContact CD1-CG2 3.96Å; I38-I376 HydrophobicContact CG1-CG2 3.79Å; I38-I376 HydrophobicContact CG2-CG2 4.16Å; P256-I376 WeakPolarHBondContact CB-O 3.17Å; F257-I376 HydrophobicContact CE1-CG2 4.27Å; F257-I376 PolarHBondContact N-O 3.07Å; F257-I376 VanDerWaalsContact N-O 3.07Å; E374-I376 PolarHBondContact O-N 3.36Å; E374-I376 VanDerWaalsContact OE1-CB 3.27Å; E374-I376 WeakPolarHBondContact OE1-CB 3.18Å; E374-I376 WeakPolarHBondContact OE1-CG1 3.31Å; E374-I376 PolarHBondContact OE1-N 3.22Å; E374-I376 PolarHBondContact OE2-N 2.98Å
377T94.1Very high97.5Very high3 Ų318.7 Ų18.72%0.0189%0.087CC..THydrogen-bonded Turntrans-87.6-26.9-176.661.30000113.3I38 V42 E374 F379 F430 V434I38-T377 HydrophobicContact CD1-CG2 4.44Å; V42-T377 HydrophobicContact CG1-CG2 4.46Å; E374-T377 VanDerWaalsContact OE2-CB 3.26Å; E374-T377 WeakPolarHBondContact OE2-CB 3.14Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.34Å; E374-T377 PolarHBondContact OE2-N 2.97Å; E374-T377 PolarHBondContact OE2-OG1 3.08Å; T377-F379 VanDerWaalsContact C-N 3.3Å; T377-F379 HydrophobicContact CG2-CD2 4.42Å; T377-F379 HydrophobicContact CG2-CE2 4.33Å; T377-F379 WeakPolarHBondContact OG1-CG 3.07Å; T377-F379 PolarHBondContact OG1-N 2.85Å; T377-F430 HydrophobicContact CG2-CE2 4.09Å; T377-F430 HydrophobicContact CG2-CZ 3.9Å; T377-V434 HydrophobicContact CG2-CG1 3.98Å; T377-V434 HydrophobicContact CG2-CG2 4.38Å
378G96.3Very high97.5Very high0 Ų018.6 Ų18.60%09%0.087CC..  trans78.78.7-172.200000113.9S253 F254 E374S253-G378 CarbonylContact C-O 3.58Å; S253-G378 WeakPolarHBondContact CA-O 3.44Å; F254-G378 PolarHBondContact N-O 3.32Å; F254-G378 WeakPolarHBondContact O-CA 3.41Å; E374-G378 VanDerWaalsContact O-CA 3.26Å; E374-G378 WeakPolarHBondContact O-CA 3.27Å; E374-G378 PolarHBondContact O-N 3.07Å
379F96.6Very high97.5Very high32 Ų3216.4 Ų16.414%0.148%0.08CC..BIsolated β-bridgetrans-77136.8-179.7-61.2-18.2000112.2V42 A50 V373 E374 T377 L381 F430V42-F379 HydrophobicContact CG1-CE1 4.26Å; V42-F379 HydrophobicContact CG1-CZ 4.01Å; A50-F379 HydrophobicContact CB-CE1 4.04Å; A50-F379 HydrophobicContact CB-CZ 3.76Å; V373-F379 WeakPolarHBondContact CA-O 3.28Å; E374-F379 PolarHBondContact N-O 3.43Å; T377-F379 VanDerWaalsContact C-N 3.3Å; T377-F379 HydrophobicContact CG2-CD2 4.42Å; T377-F379 HydrophobicContact CG2-CE2 4.33Å; T377-F379 WeakPolarHBondContact OG1-CG 3.07Å; T377-F379 PolarHBondContact OG1-N 2.85Å; F379-L381 HydrophobicContact CB-CD2 3.91Å; F379-L381 PolarHBondContact O-N 3.07Å; F379-F430 HydrophobicContact CD2-CE2 4.02Å
380T97.8Very high97.6Very high20 Ų2015.9 Ų15.912%0.1238%0.077CC..EExtended strand (participates in β ladder)trans-80.1108.9171.2-57.90000109.1A251 A252 L371 F383A251-T380 PolarHBondContact O-OG1 3.29Å; A252-T380 WeakPolarHBondContact O-CB 3.41Å; A252-T380 PolarHBondContact O-N 3.02Å; A252-T380 PolarHBondContact O-OG1 2.92Å; L371-T380 HydrophobicContact CB-CG2 4.29Å; L371-T380 HydrophobicContact CD2-CG2 4.33Å; T380-F383 HydrophobicContact CG2-CB 4.06Å; T380-F383 HydrophobicContact CG2-CD1 4.39Å
381L96.9Very high97.6Very high12 Ų1215.4 Ų15.46%0.0638%0.076CC..EExtended strand (participates in β ladder)trans-93.6-25.5-175.1-57.9-168.3000113.1L285 I288 V290 D372 E374 F379 I422 F430L285-L381 HydrophobicContact CD2-CB 3.81Å; I288-L381 HydrophobicContact CB-CD1 4.49Å; I288-L381 HydrophobicContact CD1-CD1 4.04Å; I288-L381 HydrophobicContact CG2-CD1 3.87Å; V290-L381 HydrophobicContact CG1-CD1 4.02Å; D372-L381 PolarHBondContact O-N 3.39Å; E374-L381 HydrophobicContact CB-CD1 3.82Å; E374-L381 HydrophobicContact CB-CG 4.06Å; E374-L381 HydrophobicContact CG-CD1 4.28Å; F379-L381 HydrophobicContact CB-CD2 3.91Å; F379-L381 PolarHBondContact O-N 3.07Å; L381-I422 HydrophobicContact CB-CB 4.49Å; L381-I422 HydrophobicContact CB-CG2 4.28Å; L381-I422 HydrophobicContact CD2-CD1 4.3Å; L381-I422 PolarHBondContact O-N 3.31Å; L381-F430 HydrophobicContact CD1-CE1 4.49Å
382Q98.2Very high97.6Very high37 Ų3715 Ų1517%0.1737%0.074CC..EExtended strand (participates in β ladder)trans-145.1148171.4171.7173.5-20.200109.8L285 Y370 D372 G420 T421L285-Q382 HydrophobicContact CD2-CB 3.64Å; Y370-Q382 HydrophobicContact CE2-CG 4.13Å; Y370-Q382 PolarHBondContact OH-NE2 2.89Å; D372-Q382 HydrophobicContact CB-CB 4.04Å; D372-Q382 WeakPolarHBondContact CB-O 3.13Å; D372-Q382 PolarHBondContact N-O 3.45Å; D372-Q382 PolarHBondContact O-N 3.06Å; Q382-G420 VanDerWaalsContact CA-O 3.27Å; Q382-G420 WeakPolarHBondContact CA-O 3.29Å; Q382-T421 PolarHBondContact OE1-OG1 2.99Å
383F98.4Very high97.5Very high32 Ų3215 Ų1514%0.147%0.074CC..EExtended strand (participates in β ladder)trans-153.5159.3172.569.1-80.3000111.9V61 Y370 L371 T380 K385 E418 T419 G420V61-F383 HydrophobicContact CG1-CZ 3.86Å; V61-F383 HydrophobicContact CG2-CE1 4.37Å; V61-F383 HydrophobicContact CG2-CZ 4.28Å; Y370-F383 WeakPolarHBondContact O-CA 3.46Å; Y370-F383 WeakPolarHBondContact O-CB 3.47Å; L371-F383 HydrophobicContact CD2-CB 3.71Å; T380-F383 HydrophobicContact CG2-CB 4.06Å; T380-F383 HydrophobicContact CG2-CD1 4.39Å; F383-K385 HydrophobicContact CD2-CB 4.23Å; F383-K385 HydrophobicContact CE2-CB 4.38Å; F383-E418 WeakPolarHBondContact CD2-O 3.43Å; F383-E418 HydrophobicContact CE2-CG 4.03Å; F383-E418 VanDerWaalsContact CE2-O 3.25Å; F383-E418 WeakPolarHBondContact CE2-O 3.4Å; F383-E418 HydrophobicContact CZ-CG 4.39Å; F383-T419 VanDerWaalsContact O-CA 3.28Å; F383-T419 WeakPolarHBondContact O-CA 3.47Å; F383-T419 WeakPolarHBondContact O-CB 3.29Å; F383-T419 PolarHBondContact O-OG1 3.45Å; F383-G420 PolarHBondContact N-O 3.49Å; F383-G420 PolarHBondContact O-N 2.78Å
384A98.6Very high97.4Very high1 Ų118.4 Ų18.41%0.0089%0.088CC..EExtended strand (participates in β ladder)trans-134.3107.8162.300000108.2T369 Y370 R386T369-A384 VanDerWaalsContact CA-O 3.26Å; T369-A384 WeakPolarHBondContact CA-O 3.4Å; Y370-A384 HydrophobicContact CD1-CB 3.85Å; Y370-A384 HydrophobicContact CE1-CB 3.34Å; Y370-A384 PolarHBondContact N-O 2.91Å; Y370-A384 PolarHBondContact O-N 2.89Å; A384-R386 HydrophobicContact CB-CG 4.41Å
385K98.4Very high97.3Very high32 Ų3220.8 Ų20.814%0.13910%0.104CC..EExtended strand (participates in β ladder)trans-91.8110.7172.1173.7-176.2-177.7173.10108S268 D270 F383 E418S268-K385 PolarHBondContact OG-NZ 2.79Å; D270-K385 IonicContact OD2-NZ 2.68Å; D270-K385 PolarHBondContact OD2-NZ 2.92Å; F383-K385 HydrophobicContact CD2-CB 4.23Å; F383-K385 HydrophobicContact CE2-CB 4.38Å; K385-E418 HydrophobicContact CB-CB 4.26Å; K385-E418 PolarHBondContact N-O 3.35Å; K385-E418 PolarHBondContact O-N 3.08Å
386R98.5Very high97.3Very high34 Ų3420.3 Ų20.313%0.12810%0.101CC..EExtended strand (participates in β ladder)trans-118.1122.4-176.7-53.8-172-172.2140.3-24.1110.7P344 E365 E366 R368 T369 A384 L416 N417P344-R386 HydrophobicContact CG-CB 3.88Å; E365-R386 PolarHBondContact O-NH1 3.43Å; E365-R386 PolarHBondContact O-NH2 3.43Å; E366-R386 WeakPolarHBondContact O-CD 3.36Å; E366-R386 PolarHBondContact O-NE 2.92Å; E366-R386 VanDerWaalsContact O-NE 3.11Å; E366-R386 PolarHBondContact O-NH1 3.19Å; R368-R386 VanDerWaalsContact O-CD 3.29Å; R368-R386 WeakPolarHBondContact O-CD 3.36Å; R368-R386 PolarHBondContact O-NH1 3.26Å; T369-R386 PolarHBondContact OG1-N 3.11Å; T369-R386 PolarHBondContact OG1-O 2.83Å; T369-R386 VanDerWaalsContact OG1-O 3.08Å; A384-R386 HydrophobicContact CB-CG 4.41Å; R386-L416 VanDerWaalsContact CA-O 3.27Å; R386-L416 WeakPolarHBondContact CA-O 3.27Å; R386-N417 HydrophobicContact CG-CB 4.34Å
387L97.9Very high97.3Very high15 Ų1529.3 Ų29.38%0.07913%0.133CC..EExtended strand (participates in β ladder)trans-144.9156.5-179.166.187.7000110.7I271 I341 V389 W415 L416I271-L387 HydrophobicContact CG2-CD2 4.38Å; I341-L387 HydrophobicContact CG2-CB 4.37Å; L387-V389 HydrophobicContact CD1-CG2 4Å; L387-W415 CarbonylContact O-C 3.53Å; L387-W415 VanDerWaalsContact O-CA 3.31Å; L387-W415 WeakPolarHBondContact O-CA 3.18Å; L387-W415 WeakPolarHBondContact O-CB 3.4Å; L387-L416 HydrophobicContact CD1-CD1 4.35Å; L387-L416 HydrophobicContact CD1-CD2 3.56Å; L387-L416 HydrophobicContact CD1-CG 3.78Å; L387-L416 HydrophobicContact CD2-CD1 4.17Å; L387-L416 HydrophobicContact CD2-CD2 4.45Å; L387-L416 HydrophobicContact CD2-CG 4.48Å; L387-L416 HydrophobicContact CG-CD1 3.82Å; L387-L416 HydrophobicContact CG-CD2 3.97Å; L387-L416 HydrophobicContact CG-CG 3.74Å; L387-L416 PolarHBondContact N-O 2.7Å; L387-L416 PolarHBondContact O-N 2.81Å
388Q98.8Very high97.4Very high0 Ų034.3 Ų34.30%015%0.154CC..EExtended strand (participates in β ladder)trans-121134.7177-178.7173.3-71.800109.8F68 I341 S342 F346 N390 P412 L414 W415F68-Q388 HydrophobicContact CE2-CG 4.26Å; F68-Q388 VanDerWaalsContact CE2-OE1 3.3Å; I341-Q388 WeakPolarHBondContact CA-O 3.35Å; S342-Q388 PolarHBondContact N-O 2.88Å; S342-Q388 PolarHBondContact O-N 2.8Å; S342-Q388 WeakPolarHBondContact OG-CB 3.25Å; S342-Q388 PolarHBondContact OG-NE2 3.45Å; F346-Q388 VanDerWaalsContact CE1-NE2 3.29Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.21Å; Q388-N390 PolarHBondContact NE2-OD1 2.98Å; Q388-N390 PolarHBondContact O-ND2 2.91Å; Q388-P412 HydrophobicContact CG-CB 4.46Å; Q388-L414 WeakPolarHBondContact CA-O 3.28Å; Q388-L414 WeakPolarHBondContact CG-O 3.26Å; Q388-W415 HydrophobicContact CB-CB 3.87Å; Q388-W415 HydrophobicContact CG-CB 4.08Å
389V98.9Very high97.3Very high13 Ų1334.3 Ų34.38%0.07915%0.154CC..EExtended strand (participates in β ladder)trans-98.6124174.7-177.70000108.2V200 V339 I341 L387 I413 L414V200-V389 HydrophobicContact CG1-CB 4.32Å; V200-V389 HydrophobicContact CG1-CG1 4.05Å; V200-V389 HydrophobicContact CG1-CG2 4.12Å; V339-V389 HydrophobicContact CG1-CG1 4.12Å; I341-V389 HydrophobicContact CD1-CG2 4.15Å; L387-V389 HydrophobicContact CD1-CG2 4Å; V389-I413 PolarHBondContact O-N 3.1Å; V389-L414 HydrophobicContact CB-CD1 4.22Å; V389-L414 HydrophobicContact CG2-CD1 4.05Å; V389-L414 PolarHBondContact N-O 2.97Å; V389-L414 PolarHBondContact O-N 3.46Å
390N98.9Very high97.3Very high0 Ų036.6 Ų36.60%017%0.165CC..EExtended strand (participates in β ladder)trans-124.5153.9179.9-42.2-83.7000109.9Y340 S342 F346 Q388 I410 V411 P412Y340-N390 PolarHBondContact N-O 2.87Å; Y340-N390 WeakPolarHBondContact O-CA 3.38Å; Y340-N390 WeakPolarHBondContact O-CB 3.43Å; Y340-N390 PolarHBondContact O-N 3.47Å; Y340-N390 PolarHBondContact O-ND2 3.45Å; S342-N390 PolarHBondContact OG-ND2 2.95Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.22Å; F346-N390 VanDerWaalsContact CZ-OD1 3.23Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.37Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.21Å; Q388-N390 PolarHBondContact NE2-OD1 2.98Å; Q388-N390 PolarHBondContact O-ND2 2.91Å; N390-I410 HydrophobicContact CB-CG2 3.48Å; N390-I410 VanDerWaalsContact CB-CG2 3.48Å; N390-V411 CarbonylContact C-O 3.6Å; N390-V411 WeakPolarHBondContact CA-O 3.47Å; N390-P412 VanDerWaalsContact OD1-CA 3.31Å; N390-P412 WeakPolarHBondContact OD1-CA 3.27Å; N390-P412 WeakPolarHBondContact OD1-CB 3.45Å
391I98.6Very high97.1Very high15 Ų1536.3 Ų36.38%0.07717%0.165CC..EExtended strand (participates in β ladder)trans-123.7126.3175.3-60-66.8000108.7L138 L140 A143 P338 V339 V411 I413L138-I391 HydrophobicContact CD2-CB 3.77Å; L138-I391 HydrophobicContact CD2-CG2 3.61Å; L140-I391 HydrophobicContact CD2-CG1 3.99Å; A143-I391 HydrophobicContact CB-CG2 3.93Å; P338-I391 HydrophobicContact CG-CG2 4.25Å; P338-I391 WeakPolarHBondContact O-CA 3.33Å; V339-I391 HydrophobicContact CB-CD1 4.41Å; V339-I391 HydrophobicContact CG2-CD1 3.85Å; I391-V411 PolarHBondContact N-O 2.96Å; I391-V411 PolarHBondContact O-N 3.22Å; I391-I413 HydrophobicContact CB-CD1 4.31Å; I391-I413 HydrophobicContact CB-CG1 4.3Å; I391-I413 HydrophobicContact CG1-CD1 4.06Å; I391-I413 HydrophobicContact CG1-CG1 3.65Å
392L98.5Very high97.1Very high2 Ų235.9 Ų35.91%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-78.2128.1173165.573.3000110.1I318 P338 Y340 K394 N408 Y409 I410I318-L392 HydrophobicContact CD1-CD1 4.13Å; I318-L392 HydrophobicContact CD1-CD2 4.36Å; I318-L392 HydrophobicContact CG1-CD1 4.36Å; I318-L392 HydrophobicContact CG1-CD2 3.87Å; I318-L392 HydrophobicContact CG2-CD1 4.26Å; I318-L392 HydrophobicContact CG2-CD2 4.43Å; P338-L392 HydrophobicContact CB-CB 4.09Å; P338-L392 WeakPolarHBondContact CG-O 3.45Å; P338-L392 PolarHBondContact O-N 3.37Å; Y340-L392 HydrophobicContact CD2-CB 3.75Å; Y340-L392 HydrophobicContact CE2-CB 3.53Å; Y340-L392 HydrophobicContact CE2-CD2 3.59Å; Y340-L392 HydrophobicContact CE2-CG 4.2Å; L392-K394 HydrophobicContact CD1-CG 4.25Å; L392-K394 VanDerWaalsContact CD2-CE 3.44Å; L392-K394 HydrophobicContact CD2-CG 4.48Å; L392-K394 HydrophobicContact CG-CG 4.22Å; L392-N408 HydrophobicContact CD1-CB 4.11Å; L392-Y409 CarbonylContact C-O 3.55Å; L392-Y409 VanDerWaalsContact CA-O 3.3Å; L392-Y409 WeakPolarHBondContact CA-O 3.34Å; L392-I410 HydrophobicContact CB-CG1 4.49Å; L392-I410 HydrophobicContact CD1-CG1 4.19Å
393V97.8Very high97Very high1 Ų138.5 Ų38.51%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-121.4133.317163.80000109.6L138 A143 M169 L402 L405 N408 Y409 V411L138-V393 HydrophobicContact CD1-CB 4.47Å; L138-V393 HydrophobicContact CD1-CG1 4.36Å; L138-V393 HydrophobicContact CD2-CB 4.37Å; A143-V393 HydrophobicContact CB-CB 4.3Å; A143-V393 HydrophobicContact CB-CG2 4.28Å; M169-V393 HydrophobicContact CE-CG1 3.91Å; M169-V393 HydrophobicContact CE-CG2 4.35Å; V393-L402 HydrophobicContact CG2-CD1 4.3Å; V393-L402 HydrophobicContact CG2-CD2 3.7Å; V393-L405 HydrophobicContact CG2-CD1 3.95Å; V393-N408 WeakPolarHBondContact O-CA 3.23Å; V393-Y409 HydrophobicContact CG1-CD2 4.27Å; V393-Y409 PolarHBondContact N-O 3.17Å; V393-Y409 PolarHBondContact O-N 3.49Å; V393-V411 HydrophobicContact CG1-CG2 3.68Å
394K95.9Very high96.9Very high70 Ų7040.2 Ų40.230%0.30418%0.184SC..  trans-117.4154.7-178-55.8-172.1-174.6-172.40110.3I318 L392 A396 N408I318-K394 HydrophobicContact CD1-CD 4.48Å; L392-K394 HydrophobicContact CD1-CG 4.25Å; L392-K394 VanDerWaalsContact CD2-CE 3.44Å; L392-K394 HydrophobicContact CD2-CG 4.48Å; L392-K394 HydrophobicContact CG-CG 4.22Å; K394-A396 PolarHBondContact O-N 3.4Å; K394-N408 WeakPolarHBondContact CB-OD1 3.48Å; K394-N408 WeakPolarHBondContact CG-OD1 3.3Å
395P95.9Very high96.9Very high53 Ų5340.6 Ų40.634%0.34419%0.186SC..  trans-55.6130.3167.3-23.834.3000111.8L405 N408P395-L405 HydrophobicContact CB-CB 4.1Å; P395-L405 VanDerWaalsContact CB-O 3.29Å; P395-L405 WeakPolarHBondContact CB-O 3.38Å; P395-L405 HydrophobicContact CG-CB 3.86Å; P395-L405 VanDerWaalsContact CG-O 3.28Å; P395-L405 WeakPolarHBondContact CG-O 3.49Å; P395-N408 WeakPolarHBondContact CD-OD1 3.36Å
396A95.3Very high96.8Very high7 Ų747.3 Ų47.36%0.05822%0.215CC..  trans-129.699.4178.200000110.4P146 K394 K398 I399 L402P146-A396 HydrophobicContact CB-CB 4.1Å; P146-A396 HydrophobicContact CG-CB 4.49Å; K394-A396 PolarHBondContact O-N 3.4Å; A396-K398 PolarHBondContact O-N 3.43Å; A396-I399 HydrophobicContact CB-CB 4.1Å; A396-I399 HydrophobicContact CB-CD1 4.25Å; A396-I399 PolarHBondContact O-N 2.93Å; A396-L402 HydrophobicContact CB-CB 4.02Å; A396-L402 HydrophobicContact CB-CD1 4.26Å; A396-L402 PolarHBondContact N-O 3.05Å
397R93.3Very high96.6Very high237 Ų23749.8 Ų49.889%0.89423%0.225SC*.THydrogen-bonded Turntrans-55.9-29.4-173.7-67.7-176.5179.5172.40.1114.3
398K95.3Very high96.5Very high108 Ų10852 Ų5247%0.4724%0.236SC..THydrogen-bonded Turntrans-91.2-12.3-177.9-60.2-58.9-176.4179.20113.7Q155 V156 N159 A396Q155-K398 HydrophobicContact CB-CB 3.92Å; V156-K398 HydrophobicContact CG2-CB 4.3Å; V156-K398 HydrophobicContact CG2-CD 4.12Å; V156-K398 HydrophobicContact CG2-CG 4.34Å; N159-K398 WeakPolarHBondContact CB-O 3.42Å; N159-K398 PolarHBondContact ND2-O 3.23Å; A396-K398 PolarHBondContact O-N 3.43Å
399I95.6Very high96.5Very high0 Ų052 Ų520%024%0.236CC..  trans-108.2111.1179.2-71.3157.6000108.4P146 Q155 N159 I162 A396 A401 L402 K403P146-I399 HydrophobicContact CB-CD1 3.74Å; P146-I399 HydrophobicContact CG-CD1 4.09Å; Q155-I399 HydrophobicContact CB-CD1 4.44Å; Q155-I399 HydrophobicContact CG-CD1 4.41Å; N159-I399 HydrophobicContact CB-CG1 4.17Å; N159-I399 WeakPolarHBondContact OD1-CA 3.46Å; I162-I399 HydrophobicContact CD1-CG1 4.43Å; I162-I399 HydrophobicContact CD1-CG2 3.82Å; A396-I399 HydrophobicContact CB-CB 4.1Å; A396-I399 HydrophobicContact CB-CD1 4.25Å; A396-I399 PolarHBondContact O-N 2.93Å; I399-A401 VanDerWaalsContact C-N 3.26Å; I399-A401 HydrophobicContact CG2-CB 4.24Å; I399-A401 PolarHBondContact O-N 3.38Å; I399-L402 HydrophobicContact CG2-CB 4.3Å; I399-L402 HydrophobicContact CG2-CD1 4.19Å; I399-L402 HydrophobicContact CG2-CG 4.08Å; I399-L402 CarbonylContact O-C 3.56Å; I399-L402 PolarHBondContact O-N 2.89Å; I399-K403 PolarHBondContact O-N 3.35Å
400E95.3Very high96.5Very high79 Ų7952 Ų5237%0.36924%0.236SC..G310 helixtrans-59.2-37.6-172.1173.6157-127.900113N159 K163 L402 K403N159-E400 PolarHBondContact OD1-N 3.02Å; K163-E400 WeakPolarHBondContact CE-OE2 3.43Å; K163-E400 IonicContact NZ-OE2 2.75Å; K163-E400 PolarHBondContact NZ-OE2 3.09Å; E400-L402 PolarHBondContact O-N 2.85Å; E400-L402 VanDerWaalsContact O-N 3.1Å; E400-K403 HydrophobicContact CB-CD 4.37Å; E400-K403 HydrophobicContact CG-CD 4.1Å; E400-K403 WeakPolarHBondContact O-CG 3.28Å; E400-K403 PolarHBondContact O-N 2.87Å; E400-K403 IonicContact OE1-NZ 2.94Å; E400-K403 PolarHBondContact OE1-NZ 3.35Å
401A95.1Very high96.5Very high15 Ų1552 Ų5212%0.12424%0.236CC..G310 helixtrans-59.6-21.517700000113.7V142 I162 I399V142-A401 HydrophobicContact CG1-CB 4.14Å; I162-A401 HydrophobicContact CG2-CB 4.37Å; I399-A401 VanDerWaalsContact C-N 3.26Å; I399-A401 HydrophobicContact CG2-CB 4.24Å; I399-A401 PolarHBondContact O-N 3.38Å
402L97Very high96.5Very high2 Ų251.3 Ų51.31%0.0123%0.232CC..G310 helixtrans-123.32.3-174.2-56.6178.2000112.9V142 P146 M169 V393 A396 I399 E400 N404 L405V142-L402 HydrophobicContact CG1-CD1 4.27Å; V142-L402 HydrophobicContact CG1-CD2 4.38Å; V142-L402 HydrophobicContact CG1-CG 4.25Å; P146-L402 HydrophobicContact CG-CD1 3.81Å; M169-L402 HydrophobicContact CB-CD2 4Å; M169-L402 HydrophobicContact CG-CD2 3.74Å; M169-L402 HydrophobicContact SD-CD2 4.09Å; V393-L402 HydrophobicContact CG2-CD1 4.3Å; V393-L402 HydrophobicContact CG2-CD2 3.7Å; A396-L402 HydrophobicContact CB-CB 4.02Å; A396-L402 HydrophobicContact CB-CD1 4.26Å; A396-L402 PolarHBondContact N-O 3.05Å; I399-L402 HydrophobicContact CG2-CB 4.3Å; I399-L402 HydrophobicContact CG2-CD1 4.19Å; I399-L402 HydrophobicContact CG2-CG 4.08Å; I399-L402 CarbonylContact O-C 3.56Å; I399-L402 PolarHBondContact O-N 2.89Å; E400-L402 PolarHBondContact O-N 2.85Å; E400-L402 VanDerWaalsContact O-N 3.1Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.38Å; L402-L405 HydrophobicContact CB-CD1 4.33Å; L402-L405 HydrophobicContact CD2-CD1 4.05Å; L402-L405 PolarHBondContact O-N 2.77Å
403K95.8Very high96.5Very high93 Ų9351.3 Ų51.340%0.40423%0.232SC..THydrogen-bonded Turntrans-68.8-29.2-170.676.9-176.7175.6-173.50113.4I399 E400I399-K403 PolarHBondContact O-N 3.35Å; E400-K403 HydrophobicContact CB-CD 4.37Å; E400-K403 HydrophobicContact CG-CD 4.1Å; E400-K403 WeakPolarHBondContact O-CG 3.28Å; E400-K403 PolarHBondContact O-N 2.87Å; E400-K403 IonicContact OE1-NZ 2.94Å; E400-K403 PolarHBondContact OE1-NZ 3.35Å
404N96.4Very high96.5Very high68 Ų6851.3 Ų51.336%0.36423%0.232SC..THydrogen-bonded Turntrans-89.5-7.2-173.9-68.3-21000113.2V77 L402 K406V77-N404 VanDerWaalsContact O-CB 3.24Å; V77-N404 WeakPolarHBondContact O-CB 3.27Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 3.38Å; N404-K406 PolarHBondContact O-N 2.91Å
405L97.1Very high96.7Very high8 Ų848.2 Ų48.24%0.04222%0.218CC..  trans-62.6131.5176-62-179.8000109.7M169 V393 P395 L402 Y409M169-L405 HydrophobicContact CE-CD1 4.1Å; M169-L405 HydrophobicContact CE-CD2 4.02Å; M169-L405 HydrophobicContact SD-CD1 4.19Å; M169-L405 HydrophobicContact SD-CD2 3.87Å; M169-L405 HydrophobicContact SD-CG 4.42Å; V393-L405 HydrophobicContact CG2-CD1 3.95Å; P395-L405 HydrophobicContact CB-CB 4.1Å; P395-L405 VanDerWaalsContact CB-O 3.29Å; P395-L405 WeakPolarHBondContact CB-O 3.38Å; P395-L405 HydrophobicContact CG-CB 3.86Å; P395-L405 VanDerWaalsContact CG-O 3.28Å; P395-L405 WeakPolarHBondContact CG-O 3.49Å; L402-L405 HydrophobicContact CB-CD1 4.33Å; L402-L405 HydrophobicContact CD2-CD1 4.05Å; L402-L405 PolarHBondContact O-N 2.77Å; L405-Y409 HydrophobicContact CD2-CE2 4.01Å
406K96.6Very high96.8Very high173 Ų17345.9 Ų45.975%0.75220%0.203SC*.  trans-102.2-12.6179.6-61.7177-177.3170.30112.5S80 N404S80-K406 PolarHBondContact OG-N 2.96Å; N404-K406 PolarHBondContact O-N 2.91Å
407R95.1Very high97Very high87 Ų8746.3 Ų46.333%0.32820%0.204SC..SBendtrans-142.8165.9179.464.3-178.1135.6-161.3-11.6111S80 E355 Y409S80-R407 PolarHBondContact O-NH2 2.9Å; E355-R407 IonicContact OE2-NH1 3.35Å; R407-Y409 HydrophobicContact CG-CD2 4.29Å; R407-Y409 HydrophobicContact CG-CE1 4.05Å; R407-Y409 HydrophobicContact CG-CE2 3.56Å; R407-Y409 VanDerWaalsContact CG-CZ 3.41Å; R407-Y409 WeakPolarHBondContact CG-OH 3.43Å; R407-Y409 PolarHBondContact NE-OH 3.41Å; R407-Y409 WeakPolarHBondContact O-CE2 3.43Å
408N96.1Very high97.2Very high60 Ų6035.2 Ų35.232%0.32116%0.163SC..  trans-82.1148.8170-54.7-45.9000109.4I318 L392 V393 K394 P395I318-N408 HydrophobicContact CD1-CB 4.02Å; I318-N408 WeakPolarHBondContact CD1-ND2 3.14Å; L392-N408 HydrophobicContact CD1-CB 4.11Å; V393-N408 WeakPolarHBondContact O-CA 3.23Å; K394-N408 WeakPolarHBondContact CB-OD1 3.48Å; K394-N408 WeakPolarHBondContact CG-OD1 3.3Å; P395-N408 WeakPolarHBondContact CD-OD1 3.36Å
409Y98Very high97.4Very high2 Ų231.5 Ų31.51%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-127.8133.3173-59.6-98.5000109.5S80 S81 I83 P356 L392 V393 L405 R407S80-Y409 VanDerWaalsContact C-OH 3.22Å; S80-Y409 PolarHBondContact O-OH 2.68Å; S80-Y409 PolarHBondContact OG-OH 2.84Å; S81-Y409 PolarHBondContact O-OH 3.41Å; I83-Y409 HydrophobicContact CD1-CD1 3.73Å; I83-Y409 HydrophobicContact CD1-CE1 4.37Å; I83-Y409 HydrophobicContact CD1-CG 4.01Å; I83-Y409 HydrophobicContact CG1-CD1 3.9Å; I83-Y409 HydrophobicContact CG1-CE1 4.09Å; P356-Y409 HydrophobicContact CB-CD1 3.67Å; P356-Y409 HydrophobicContact CB-CE1 3.85Å; L392-Y409 CarbonylContact C-O 3.55Å; L392-Y409 VanDerWaalsContact CA-O 3.3Å; L392-Y409 WeakPolarHBondContact CA-O 3.34Å; V393-Y409 HydrophobicContact CG1-CD2 4.27Å; V393-Y409 PolarHBondContact N-O 3.17Å; V393-Y409 PolarHBondContact O-N 3.49Å; L405-Y409 HydrophobicContact CD2-CE2 4.01Å; R407-Y409 HydrophobicContact CG-CD2 4.29Å; R407-Y409 HydrophobicContact CG-CE1 4.05Å; R407-Y409 HydrophobicContact CG-CE2 3.56Å; R407-Y409 VanDerWaalsContact CG-CZ 3.41Å; R407-Y409 WeakPolarHBondContact CG-OH 3.43Å; R407-Y409 PolarHBondContact NE-OH 3.41Å; R407-Y409 WeakPolarHBondContact O-CE2 3.43Å
410I98.5Very high97.4Very high12 Ų1231.7 Ų31.76%0.06215%0.151CC..EExtended strand (participates in β ladder)trans-92.292.5160.7-66.2168.3000105.6I318 V327 Y340 F346 I353 N390 L392 P412I318-I410 HydrophobicContact CG2-CD1 4.13Å; V327-I410 HydrophobicContact CG2-CD1 4.4Å; Y340-I410 HydrophobicContact CD1-CD1 4.22Å; Y340-I410 HydrophobicContact CE1-CD1 4.38Å; F346-I410 HydrophobicContact CE1-CG2 4.12Å; F346-I410 HydrophobicContact CZ-CG2 4.04Å; I353-I410 HydrophobicContact CD1-CD1 3.63Å; I353-I410 HydrophobicContact CG2-CD1 4.43Å; N390-I410 HydrophobicContact CB-CG2 3.48Å; N390-I410 VanDerWaalsContact CB-CG2 3.48Å; L392-I410 HydrophobicContact CB-CG1 4.49Å; L392-I410 HydrophobicContact CD1-CG1 4.19Å; I410-P412 WeakPolarHBondContact O-CD 2.8Å
411V98.7Very high97.5Very high0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-81.5119.3-171.7-171.90000108.9I83 L138 N390 I391 V393 I413I83-V411 HydrophobicContact CD1-CB 4.35Å; I83-V411 HydrophobicContact CD1-CG1 3.97Å; I83-V411 HydrophobicContact CD1-CG2 3.63Å; L138-V411 HydrophobicContact CB-CG1 4.3Å; L138-V411 HydrophobicContact CD1-CG2 4.44Å; L138-V411 HydrophobicContact CD2-CB 4.13Å; L138-V411 HydrophobicContact CD2-CG2 4.1Å; N390-V411 CarbonylContact C-O 3.6Å; N390-V411 WeakPolarHBondContact CA-O 3.47Å; I391-V411 PolarHBondContact N-O 2.96Å; I391-V411 PolarHBondContact O-N 3.22Å; V393-V411 HydrophobicContact CG1-CG2 3.68Å; V411-I413 HydrophobicContact CG1-CD1 4.36Å; V411-I413 PolarHBondContact O-N 2.97Å
412P98.8Very high97.5Very high1 Ų130.5 Ų30.51%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-71.1127.6174.832.2-35.3000109.5F68 F346 I357 Q388 N390 I410F68-P412 HydrophobicContact CD2-CB 3.61Å; F68-P412 HydrophobicContact CD2-CG 4.2Å; F68-P412 HydrophobicContact CE2-CB 3.82Å; F68-P412 HydrophobicContact CG-CB 4.17Å; F68-P412 HydrophobicContact CG-CG 4.25Å; F346-P412 HydrophobicContact CE2-CB 4.4Å; F346-P412 HydrophobicContact CE2-CG 4.34Å; F346-P412 HydrophobicContact CZ-CB 4.25Å; I357-P412 HydrophobicContact CG2-CG 4Å; Q388-P412 HydrophobicContact CG-CB 4.46Å; N390-P412 VanDerWaalsContact OD1-CA 3.31Å; N390-P412 WeakPolarHBondContact OD1-CA 3.27Å; N390-P412 WeakPolarHBondContact OD1-CB 3.45Å; I410-P412 WeakPolarHBondContact O-CD 2.8Å
413I98.8Very high97.4Very high2 Ų231.9 Ų31.91%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-96.3-52.2-179.7-55.5-54.6000109.7F68 L138 L140 L178 V200 V389 I391 V411F68-I413 PolarHBondContact N-O 2.99Å; L138-I413 HydrophobicContact CB-CD1 3.83Å; L138-I413 HydrophobicContact CD2-CD1 4.46Å; L140-I413 HydrophobicContact CD2-CD1 4.29Å; L140-I413 HydrophobicContact CD2-CG1 4.42Å; L178-I413 HydrophobicContact CD1-CG2 4.05Å; L178-I413 HydrophobicContact CD2-CG2 4.39Å; V200-I413 HydrophobicContact CG2-CG2 4.16Å; V389-I413 PolarHBondContact O-N 3.1Å; I391-I413 HydrophobicContact CB-CD1 4.31Å; I391-I413 HydrophobicContact CB-CG1 4.3Å; I391-I413 HydrophobicContact CG1-CD1 4.06Å; I391-I413 HydrophobicContact CG1-CG1 3.65Å; V411-I413 HydrophobicContact CG1-CD1 4.36Å; V411-I413 PolarHBondContact O-N 2.97Å
414L98.9Very high97.3Very high0 Ų032.8 Ų32.80%017%0.171CC..EExtended strand (participates in β ladder)trans-157.2159.6178.258.882.6000110.3F65 W66 I67 L178 L179 V200 F201 Q388 V389F65-L414 HydrophobicContact CD1-CD1 4.23Å; W66-L414 CarbonylContact O-C 3.59Å; W66-L414 WeakPolarHBondContact O-CA 3.2Å; W66-L414 VanDerWaalsContact O-CB 3.29Å; W66-L414 WeakPolarHBondContact O-CB 3.49Å; I67-L414 HydrophobicContact CD1-CB 3.62Å; I67-L414 HydrophobicContact CD1-CD2 3.79Å; I67-L414 HydrophobicContact CD1-CG 4.38Å; L178-L414 HydrophobicContact CD2-CD2 4.48Å; L179-L414 HydrophobicContact CD2-CD2 3.54Å; V200-L414 HydrophobicContact CB-CD2 4.3Å; V200-L414 HydrophobicContact CG1-CD2 4.16Å; V200-L414 HydrophobicContact CG2-CD2 4.04Å; F201-L414 HydrophobicContact CE2-CD1 4.28Å; F201-L414 HydrophobicContact CE2-CD2 4.31Å; F201-L414 HydrophobicContact CZ-CD1 4.32Å; Q388-L414 WeakPolarHBondContact CA-O 3.28Å; Q388-L414 WeakPolarHBondContact CG-O 3.26Å; V389-L414 HydrophobicContact CB-CD1 4.22Å; V389-L414 HydrophobicContact CG2-CD1 4.05Å; V389-L414 PolarHBondContact N-O 2.97Å; V389-L414 PolarHBondContact O-N 3.46Å
415W98.9Very high97Very high5 Ų536.2 Ų36.22%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-122.3157.816273.2-93.5000110.4W66 F68 P344 H345 L387 Q388 N417W66-W415 HydrophobicContact CB-CD2 4.11Å; W66-W415 HydrophobicContact CB-CG 4.18Å; W66-W415 HydrophobicContact CB-CZ2 4.08Å; W66-W415 VanDerWaalsContact CB-NE1 3.28Å; W66-W415 AromaticContact CD1-CZ2 4Å; W66-W415 HydrophobicContact CD2-CD2 4.28Å; W66-W415 AromaticContact CD2-CE2 3.64Å; W66-W415 AromaticContact CD2-CH2 3.59Å; W66-W415 HydrophobicContact CD2-CH2 3.59Å; W66-W415 AromaticContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ3 4.23Å; W66-W415 AromaticContact CE2-CH2 3.84Å; W66-W415 AromaticContact CE2-CZ2 3.63Å; W66-W415 AromaticContact CE3-CD2 3.92Å; W66-W415 HydrophobicContact CE3-CD2 3.92Å; W66-W415 AromaticContact CE3-CE2 3.74Å; W66-W415 AromaticContact CE3-CE3 3.81Å; W66-W415 HydrophobicContact CE3-CE3 3.81Å; W66-W415 AromaticContact CE3-CH2 3.34Å; W66-W415 HydrophobicContact CE3-CH2 3.34Å; W66-W415 AromaticContact CE3-CZ2 3.46Å; W66-W415 HydrophobicContact CE3-CZ2 3.46Å; W66-W415 VanDerWaalsContact CE3-CZ2 3.46Å; W66-W415 AromaticContact CE3-CZ3 3.53Å; W66-W415 HydrophobicContact CE3-CZ3 3.53Å; W66-W415 HydrophobicContact CG-CD2 4.39Å; W66-W415 AromaticContact CG-CE2 3.58Å; W66-W415 HydrophobicContact CG-CH2 4.35Å; W66-W415 AromaticContact CG-CZ2 3.55Å; W66-W415 HydrophobicContact CG-CZ2 3.55Å; W66-W415 AromaticContact CG-NE1 3.71Å; W66-W415 AromaticContact CH2-CH2 3.67Å; W66-W415 HydrophobicContact CH2-CH2 3.67Å; W66-W415 HydrophobicContact CH2-CZ2 4.31Å; W66-W415 HydrophobicContact CH2-CZ3 4.15Å; W66-W415 AromaticContact CZ2-CH2 3.89Å; W66-W415 HydrophobicContact CZ2-CH2 3.89Å; W66-W415 HydrophobicContact CZ2-CZ2 4.15Å; W66-W415 HydrophobicContact CZ3-CE3 4.15Å; W66-W415 AromaticContact CZ3-CH2 3.38Å; W66-W415 HydrophobicContact CZ3-CH2 3.38Å; W66-W415 AromaticContact CZ3-CZ2 3.99Å; W66-W415 HydrophobicContact CZ3-CZ2 3.99Å; W66-W415 AromaticContact CZ3-CZ3 3.49Å; W66-W415 HydrophobicContact CZ3-CZ3 3.49Å; W66-W415 VanDerWaalsContact CZ3-CZ3 3.49Å; W66-W415 PolarHBondContact N-O 3.02Å; W66-W415 PolarHBondContact O-N 2.65Å; F68-W415 HydrophobicContact CE2-CB 4.43Å; F68-W415 AromaticContact CE2-CD1 3.67Å; F68-W415 HydrophobicContact CE2-CG 4.46Å; F68-W415 AromaticContact CZ-CD1 3.61Å; P344-W415 HydrophobicContact CB-CB 3.9Å; P344-W415 HydrophobicContact CB-CD2 3.77Å; P344-W415 HydrophobicContact CB-CE3 3.89Å; P344-W415 HydrophobicContact CB-CG 3.79Å; P344-W415 HydrophobicContact CG-CB 4.14Å; P344-W415 HydrophobicContact CG-CD2 4.08Å; P344-W415 HydrophobicContact CG-CE3 3.7Å; P344-W415 HydrophobicContact CG-CG 4.3Å; P344-W415 HydrophobicContact CG-CZ3 4.38Å; H345-W415 AromaticContact CD2-NE1 3.96Å; H345-W415 AromaticContact NE2-NE1 3.55Å; L387-W415 CarbonylContact O-C 3.53Å; L387-W415 VanDerWaalsContact O-CA 3.31Å; L387-W415 WeakPolarHBondContact O-CA 3.18Å; L387-W415 WeakPolarHBondContact O-CB 3.4Å; Q388-W415 HydrophobicContact CB-CB 3.87Å; Q388-W415 HydrophobicContact CG-CB 4.08Å; W415-N417 HydrophobicContact CZ3-CB 4.07Å
416L98.8Very high96.7Very high5 Ų539.8 Ų39.83%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-132.5151.8-178.668.587.4000112.2R63 Q64 F65 F201 R386 L387 E418R63-L416 HydrophobicContact CG-CB 4.37Å; R63-L416 HydrophobicContact CG-CD1 4.28Å; Q64-L416 CarbonylContact O-C 3.26Å; Q64-L416 WeakPolarHBondContact O-CA 3.46Å; Q64-L416 WeakPolarHBondContact O-CB 3.43Å; F65-L416 HydrophobicContact CD1-CB 3.69Å; F65-L416 HydrophobicContact CD1-CD2 4.46Å; F65-L416 HydrophobicContact CE1-CB 3.89Å; F65-L416 HydrophobicContact CE1-CD2 3.94Å; F201-L416 HydrophobicContact CE1-CD2 4.13Å; F201-L416 HydrophobicContact CZ-CD2 3.64Å; R386-L416 VanDerWaalsContact CA-O 3.27Å; R386-L416 WeakPolarHBondContact CA-O 3.27Å; L387-L416 HydrophobicContact CD1-CD1 4.35Å; L387-L416 HydrophobicContact CD1-CD2 3.56Å; L387-L416 HydrophobicContact CD1-CG 3.78Å; L387-L416 HydrophobicContact CD2-CD1 4.17Å; L387-L416 HydrophobicContact CD2-CD2 4.45Å; L387-L416 HydrophobicContact CD2-CG 4.48Å; L387-L416 HydrophobicContact CG-CD1 3.82Å; L387-L416 HydrophobicContact CG-CD2 3.97Å; L387-L416 HydrophobicContact CG-CG 3.74Å; L387-L416 PolarHBondContact N-O 2.7Å; L387-L416 PolarHBondContact O-N 2.81Å; L416-E418 HydrophobicContact CD1-CB 4.18Å
417N98.8Very high96.6Very high15 Ų1531.6 Ų31.68%0.0817%0.165CC..EExtended strand (participates in β ladder)trans-118.5105.8165.917930.1000108.2R63 Q64 W66 R386 W415R63-N417 WeakPolarHBondContact CA-O 3.27Å; Q64-N417 HydrophobicContact CB-CB 4.4Å; Q64-N417 PolarHBondContact N-O 3.49Å; Q64-N417 PolarHBondContact O-N 3.05Å; Q64-N417 PolarHBondContact OE1-ND2 3.06Å; Q64-N417 VanDerWaalsContact OE1-ND2 3.12Å; W66-N417 HydrophobicContact CH2-CB 4.32Å; W66-N417 HydrophobicContact CZ3-CB 3.86Å; R386-N417 HydrophobicContact CG-CB 4.34Å; W415-N417 HydrophobicContact CZ3-CB 4.07Å
418E98.6Very high96.4Very high4 Ų432.5 Ų32.52%0.01917%0.173CC..EExtended strand (participates in β ladder)trans-92.7115.4167-176.5175.6126.400108.9V61 Y62 R63 V95 R96 F383 K385 L416V61-E418 HydrophobicContact CG1-CG 3.73Å; Y62-E418 CarbonylContact O-C 3.54Å; Y62-E418 VanDerWaalsContact O-CA 3.31Å; Y62-E418 WeakPolarHBondContact O-CA 3.34Å; R63-E418 HydrophobicContact CG-CB 4.32Å; R63-E418 IonicContact CZ-OE2 2.78Å; R63-E418 IonicContact NE-OE2 2.73Å; R63-E418 PolarHBondContact NE-OE2 3.33Å; R63-E418 IonicContact NH2-OE2 3.71Å; R63-E418 PolarHBondContact NH2-OE2 2.94Å; V95-E418 HydrophobicContact CG2-CG 4.43Å; R96-E418 IonicContact CZ-OE1 2.64Å; R96-E418 IonicContact NE-OE1 2.73Å; R96-E418 PolarHBondContact NE-OE1 3.28Å; R96-E418 IonicContact NH2-OE1 2.68Å; R96-E418 PolarHBondContact NH2-OE1 2.74Å; F383-E418 WeakPolarHBondContact CD2-O 3.43Å; F383-E418 HydrophobicContact CE2-CG 4.03Å; F383-E418 VanDerWaalsContact CE2-O 3.25Å; F383-E418 WeakPolarHBondContact CE2-O 3.4Å; F383-E418 HydrophobicContact CZ-CG 4.39Å; K385-E418 HydrophobicContact CB-CB 4.26Å; K385-E418 PolarHBondContact N-O 3.35Å; K385-E418 PolarHBondContact O-N 3.08Å; L416-E418 HydrophobicContact CD1-CB 4.18Å
419T98.3Very high96Very high31 Ų3133.3 Ų33.319%0.1918%0.175CC..EExtended strand (participates in β ladder)trans-139.7147.4-171.7-172.50000111.4V61 Y62 F383V61-T419 WeakPolarHBondContact CA-O 3.09Å; Y62-T419 PolarHBondContact N-O 3.11Å; Y62-T419 PolarHBondContact O-N 3.17Å; F383-T419 VanDerWaalsContact O-CA 3.28Å; F383-T419 WeakPolarHBondContact O-CA 3.47Å; F383-T419 WeakPolarHBondContact O-CB 3.29Å; F383-T419 PolarHBondContact O-OG1 3.45Å
420G97Very high95.6Very high4 Ų434.1 Ų34.14%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-150.2148171.200000108.9Q382 F383Q382-G420 VanDerWaalsContact CA-O 3.27Å; Q382-G420 WeakPolarHBondContact CA-O 3.29Å; F383-G420 PolarHBondContact N-O 3.49Å; F383-G420 PolarHBondContact O-N 2.78Å
421T97.3Very high95.1Very high58 Ų5837 Ų3736%0.35619%0.189SC..EExtended strand (participates in β ladder)trans-135.2142.3173.3-172.40000109.3T59 Q382 G423T59-T421 WeakPolarHBondContact CG2-O 3.42Å; Q382-T421 PolarHBondContact OE1-OG1 2.99Å; T421-G423 PolarHBondContact O-N 2.94Å
422I94.9Very high94.4Very high11 Ų1141.8 Ų41.86%0.05622%0.215CC..  trans-54130.1176.9-172.2170.6000111.2L285 K286 I288 L381 K426 A427 F430L285-I422 HydrophobicContact CD2-CG2 3.91Å; L285-I422 HydrophobicContact CG-CG2 4.27Å; K286-I422 HydrophobicContact CD-CG2 4.32Å; K286-I422 VanDerWaalsContact CE-O 3.22Å; K286-I422 WeakPolarHBondContact CE-O 3.24Å; K286-I422 PolarHBondContact NZ-O 2.92Å; I288-I422 HydrophobicContact CD1-CD1 4.49Å; L381-I422 HydrophobicContact CB-CB 4.49Å; L381-I422 HydrophobicContact CB-CG2 4.28Å; L381-I422 HydrophobicContact CD2-CD1 4.3Å; L381-I422 PolarHBondContact O-N 3.31Å; I422-K426 HydrophobicContact CD1-CB 4.15Å; I422-K426 HydrophobicContact CG1-CB 3.76Å; I422-A427 HydrophobicContact CD1-CB 4.17Å; I422-A427 HydrophobicContact CG1-CB 4.25Å; I422-A427 HydrophobicContact CG2-CB 4.24Å; I422-F430 HydrophobicContact CD1-CB 4.39Å
423G93.8Very high93.6Very high31 Ų3146 Ų4632%0.3223%0.234SC..  trans-67.1156.2175.500000112.4T421 E425 K426 A427T421-G423 PolarHBondContact O-N 2.94Å; G423-E425 PolarHBondContact O-N 3.49Å; G423-K426 PolarHBondContact O-N 2.96Å; G423-A427 WeakPolarHBondContact O-CB 3.26Å; G423-A427 PolarHBondContact O-N 3.36Å
424D93.8Very high92.7Very high111 Ų11146.5 Ų46.559%0.59424%0.237SC*.Hα-helixtrans-61.2-43.8-173.5-60.1-58.8000113.4K286 K426 A427 E428K286-D424 WeakPolarHBondContact CD-OD1 3.29Å; K286-D424 VanDerWaalsContact CE-OD1 3.26Å; K286-D424 WeakPolarHBondContact CE-OD1 3.33Å; K286-D424 VanDerWaalsContact NZ-CG 3.32Å; K286-D424 IonicContact NZ-OD1 3.67Å; K286-D424 PolarHBondContact NZ-OD1 2.92Å; K286-D424 IonicContact NZ-OD2 3.49Å; K286-D424 PolarHBondContact NZ-OD2 3.43Å; D424-K426 VanDerWaalsContact C-N 3.34Å; D424-K426 PolarHBondContact O-N 3.32Å; D424-A427 PolarHBondContact O-N 3.47Å; D424-E428 PolarHBondContact O-N 2.92Å
425E91.6Very high91.5Very high140 Ų14047 Ų4765%0.65424%0.241SC*.Hα-helixtrans-59.3-44.4175.5-172.8-167.3162.800111.4G423 E428 M429G423-E425 PolarHBondContact O-N 3.49Å; E425-E428 PolarHBondContact O-N 2.95Å; E425-M429 WeakPolarHBondContact O-CG 3.21Å; E425-M429 PolarHBondContact O-N 3.43Å
426K90.7Very high90.4Very high84 Ų8448.2 Ų48.237%0.36526%0.255SS..Hα-helixtrans-69-35.6177.9-67.4-63.7-179.5-168.70112.1I422 G423 D424 E428 M429 F430I422-K426 HydrophobicContact CD1-CB 4.15Å; I422-K426 HydrophobicContact CG1-CB 3.76Å; G423-K426 PolarHBondContact O-N 2.96Å; D424-K426 VanDerWaalsContact C-N 3.34Å; D424-K426 PolarHBondContact O-N 3.32Å; K426-E428 VanDerWaalsContact C-N 3.35Å; K426-M429 HydrophobicContact CD-SD 4.13Å; K426-M429 PolarHBondContact O-N 3.31Å; K426-F430 VanDerWaalsContact O-CB 3.28Å; K426-F430 WeakPolarHBondContact O-CB 3.44Å; K426-F430 PolarHBondContact O-N 2.95Å
427A92.9Very high89.3Confident0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-65-41.2174.200000111K286 I288 I422 G423 D424 F430 R431K286-A427 HydrophobicContact CB-CB 3.98Å; K286-A427 HydrophobicContact CD-CB 3.93Å; I288-A427 HydrophobicContact CD1-CB 4.01Å; I422-A427 HydrophobicContact CD1-CB 4.17Å; I422-A427 HydrophobicContact CG1-CB 4.25Å; I422-A427 HydrophobicContact CG2-CB 4.24Å; G423-A427 WeakPolarHBondContact O-CB 3.26Å; G423-A427 PolarHBondContact O-N 3.36Å; D424-A427 PolarHBondContact O-N 3.47Å; A427-F430 PolarHBondContact O-N 3.35Å; A427-R431 WeakPolarHBondContact O-CG 3.47Å; A427-R431 PolarHBondContact O-N 3.48Å
428E91.6Very high88.2Confident107 Ų10755.7 Ų55.750%0.529%0.29SS..Hα-helixtrans-63.9-47.3173.9-174.6177.1179.900112.3D424 E425 K426 F430 R431 N432D424-E428 PolarHBondContact O-N 2.92Å; E425-E428 PolarHBondContact O-N 2.95Å; K426-E428 VanDerWaalsContact C-N 3.35Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 3.49Å; E428-R431 PolarHBondContact O-N 2.83Å; E428-N432 PolarHBondContact O-N 2.9Å; E428-N432 PolarHBondContact O-ND2 3.32Å
429M87.8Confident87.3Confident76 Ų7661.8 Ų61.837%0.37432%0.316SS..Hα-helixtrans-56.1-45.4173.2-71.8-177.472.900111.6E425 K426 N432 Q433E425-M429 WeakPolarHBondContact O-CG 3.21Å; E425-M429 PolarHBondContact O-N 3.43Å; K426-M429 HydrophobicContact CD-SD 4.13Å; K426-M429 PolarHBondContact O-N 3.31Å; M429-N432 PolarHBondContact O-N 3.33Å; M429-Q433 WeakPolarHBondContact O-CB 3.46Å; M429-Q433 WeakPolarHBondContact O-CG 3.32Å; M429-Q433 PolarHBondContact O-N 3.34Å
430F88.9Confident86.4Confident19 Ų1965.6 Ų65.68%0.08334%0.335CS..Hα-helixtrans-61.5-47.3178.9-173.1-83.6000111.4I288 E374 T377 F379 L381 I422 K426 A427 E428 N432 Q433 V434I288-F430 HydrophobicContact CD1-CB 4.17Å; I288-F430 HydrophobicContact CD1-CD1 3.68Å; I288-F430 HydrophobicContact CD1-CE1 4.49Å; I288-F430 HydrophobicContact CD1-CG 4.18Å; I288-F430 HydrophobicContact CG1-CD1 4.12Å; I288-F430 HydrophobicContact CG2-CD1 4.07Å; I288-F430 HydrophobicContact CG2-CE1 3.84Å; E374-F430 HydrophobicContact CB-CZ 4.22Å; E374-F430 HydrophobicContact CG-CE1 3.73Å; E374-F430 HydrophobicContact CG-CZ 3.65Å; T377-F430 HydrophobicContact CG2-CE2 4.09Å; T377-F430 HydrophobicContact CG2-CZ 3.9Å; F379-F430 HydrophobicContact CD2-CE2 4.02Å; L381-F430 HydrophobicContact CD1-CE1 4.49Å; I422-F430 HydrophobicContact CD1-CB 4.39Å; K426-F430 VanDerWaalsContact O-CB 3.28Å; K426-F430 WeakPolarHBondContact O-CB 3.44Å; K426-F430 PolarHBondContact O-N 2.95Å; A427-F430 PolarHBondContact O-N 3.35Å; E428-F430 VanDerWaalsContact C-N 3.29Å; E428-F430 PolarHBondContact O-N 3.49Å; F430-N432 VanDerWaalsContact C-N 3.34Å; F430-N432 PolarHBondContact O-N 3.38Å; F430-Q433 PolarHBondContact O-N 3.45Å; F430-V434 HydrophobicContact CD1-CB 4.39Å; F430-V434 HydrophobicContact CD2-CG2 4.29Å; F430-V434 HydrophobicContact CE1-CB 4.07Å; F430-V434 HydrophobicContact CE1-CG1 4.23Å; F430-V434 HydrophobicContact CE1-CG2 4.42Å; F430-V434 HydrophobicContact CE2-CG2 4.07Å; F430-V434 HydrophobicContact CZ-CB 4.16Å; F430-V434 HydrophobicContact CZ-CG1 4.13Å; F430-V434 HydrophobicContact CZ-CG2 4.13Å; F430-V434 WeakPolarHBondContact O-CB 3.3Å; F430-V434 PolarHBondContact O-N 3.37Å
431R88.8Confident85.6Confident73 Ų7367.7 Ų67.728%0.27535%0.345SS..Iπ-helixtrans-58.8-45.4175.5-71.9-170.7-47.9-89.1-4.1111.1K286 I288 A427 E428 T435 G436K286-R431 PolarHBondContact O-NH1 3.15Å; I288-R431 HydrophobicContact CD1-CG 4.23Å; I288-R431 HydrophobicContact CG1-CG 3.55Å; A427-R431 WeakPolarHBondContact O-CG 3.47Å; A427-R431 PolarHBondContact O-N 3.48Å; E428-R431 PolarHBondContact O-N 2.83Å; R431-T435 CarbonylContact O-C 3.54Å; R431-T435 PolarHBondContact O-N 3.31Å; R431-G436 WeakPolarHBondContact O-CA 3.23Å; R431-G436 PolarHBondContact O-N 2.83Å
432N84.6Confident84.8Confident101 Ų10166 Ų6654%0.5434%0.339SS..Iπ-helixtrans-69-36.6-177.3-69.4-18.9000112.7E428 M429 F430E428-N432 PolarHBondContact O-N 2.9Å; E428-N432 PolarHBondContact O-ND2 3.32Å; M429-N432 PolarHBondContact O-N 3.33Å; F430-N432 VanDerWaalsContact C-N 3.34Å; F430-N432 PolarHBondContact O-N 3.38Å
433Q80.3Confident84.3Confident88 Ų8870.2 Ų70.241%0.41136%0.361SS..Iπ-helixtrans-84.4-33.1-176.3-70.1-175.4-2900113.7M429 F430 K437M429-Q433 WeakPolarHBondContact O-CB 3.46Å; M429-Q433 WeakPolarHBondContact O-CG 3.32Å; M429-Q433 PolarHBondContact O-N 3.34Å; F430-Q433 PolarHBondContact O-N 3.45Å; Q433-K437 WeakPolarHBondContact O-CD 3.32Å
434V80.3Confident83.9Confident13 Ų1371.7 Ų71.78%0.07936%0.364CS..Iπ-helixtrans-111.6-75.6-174-174.90000109.7I38 T377 F430 G436 K437 V438I38-V434 HydrophobicContact CD1-CG1 4.03Å; T377-V434 HydrophobicContact CG2-CG1 3.98Å; T377-V434 HydrophobicContact CG2-CG2 4.38Å; F430-V434 HydrophobicContact CD1-CB 4.39Å; F430-V434 HydrophobicContact CD2-CG2 4.29Å; F430-V434 HydrophobicContact CE1-CB 4.07Å; F430-V434 HydrophobicContact CE1-CG1 4.23Å; F430-V434 HydrophobicContact CE1-CG2 4.42Å; F430-V434 HydrophobicContact CE2-CG2 4.07Å; F430-V434 HydrophobicContact CZ-CB 4.16Å; F430-V434 HydrophobicContact CZ-CG1 4.13Å; F430-V434 HydrophobicContact CZ-CG2 4.13Å; F430-V434 WeakPolarHBondContact O-CB 3.3Å; F430-V434 PolarHBondContact O-N 3.37Å; V434-G436 VanDerWaalsContact C-N 3.34Å; V434-G436 PolarHBondContact O-N 2.67Å; V434-K437 PolarHBondContact O-N 3.11Å; V434-V438 WeakPolarHBondContact O-CG2 3.2Å; V434-V438 PolarHBondContact O-N 3.28Å
435T74.6Confident83.4Confident11 Ų1167 Ų677%0.06734%0.338CS..Iπ-helixtrans-61.6-38.2-169.2-45.20000113.6R431 V438 K439R431-T435 CarbonylContact O-C 3.54Å; R431-T435 PolarHBondContact O-N 3.31Å; T435-V438 PolarHBondContact O-N 3.39Å; T435-K439 HydrophobicContact CG2-CD 4.02Å; T435-K439 HydrophobicContact CG2-CG 4.35Å; T435-K439 WeakPolarHBondContact O-CB 3.42Å; T435-K439 WeakPolarHBondContact O-CG 3.32Å; T435-K439 PolarHBondContact O-N 2.95Å
436G75.4Confident83.1Confident31 Ų3166.6 Ų66.632%0.3234%0.338SS..Hα-helixtrans-70.8-39.3-175.500000112.1R431 V434 K439 L440R431-G436 WeakPolarHBondContact O-CA 3.23Å; R431-G436 PolarHBondContact O-N 2.83Å; V434-G436 VanDerWaalsContact C-N 3.34Å; V434-G436 PolarHBondContact O-N 2.67Å; G436-K439 PolarHBondContact O-N 3.4Å; G436-L440 WeakPolarHBondContact O-CB 3.4Å; G436-L440 PolarHBondContact O-N 2.99Å
437K75.2Confident83Confident134 Ų13466 Ų6658%0.58334%0.341SS*.Hα-helixtrans-64.5-42.6174.4-67.3-172.9-176.6173.90111.3Q433 V434 L441Q433-K437 WeakPolarHBondContact O-CD 3.32Å; V434-K437 PolarHBondContact O-N 3.11Å; K437-L441 WeakPolarHBondContact O-CB 3.25Å; K437-L441 PolarHBondContact O-N 2.9Å
438V76.9Confident82.8Confident43 Ų4367.9 Ų67.926%0.26135%0.351SS..Hα-helixtrans-65.1-47.8177.1-178.50000111V34 V434 T435 L440 L441 G442V34-V438 HydrophobicContact CG1-CG2 3.58Å; V34-V438 HydrophobicContact CG2-CG2 4.22Å; V434-V438 WeakPolarHBondContact O-CG2 3.2Å; V434-V438 PolarHBondContact O-N 3.28Å; T435-V438 PolarHBondContact O-N 3.39Å; V438-L440 PolarHBondContact O-N 2.59Å; V438-L441 PolarHBondContact O-N 3.42Å; V438-G442 PolarHBondContact O-N 3.1Å
439K77.9Confident82.8Confident132 Ų13265.8 Ų65.857%0.57434%0.343SS*.Hα-helixtrans-63.7-40.6177.9-76.2-178177.8-1800112.8T435 G436 L443T435-K439 HydrophobicContact CG2-CD 4.02Å; T435-K439 HydrophobicContact CG2-CG 4.35Å; T435-K439 WeakPolarHBondContact O-CB 3.42Å; T435-K439 WeakPolarHBondContact O-CG 3.32Å; T435-K439 PolarHBondContact O-N 2.95Å; G436-K439 PolarHBondContact O-N 3.4Å; K439-L443 VanDerWaalsContact O-CB 3.28Å; K439-L443 WeakPolarHBondContact O-CB 3.3Å; K439-L443 PolarHBondContact O-N 2.95Å
440L80.4Confident82.9Confident111 Ų11163.8 Ų63.858%0.58134%0.342SS*.Hα-helixtrans-63.7-44.3178.3178.362.8000111G436 V438 L443 V444G436-L440 WeakPolarHBondContact O-CB 3.4Å; G436-L440 PolarHBondContact O-N 2.99Å; V438-L440 PolarHBondContact O-N 2.59Å; L440-L443 PolarHBondContact O-N 3.35Å; L440-V444 HydrophobicContact CD1-CG2 4.31Å; L440-V444 VanDerWaalsContact O-CG2 3.31Å; L440-V444 WeakPolarHBondContact O-CG2 3.36Å; L440-V444 PolarHBondContact O-N 3.34Å
441L79.9Confident83.1Confident48 Ų4867.7 Ų67.725%0.25136%0.363SS..Hα-helixtrans-61.4-50.6178.2-169.865.7000111G30 V34 K437 V438 L443 V444 E445G30-L441 VanDerWaalsContact CA-CD2 3.48Å; V34-L441 HydrophobicContact CG2-CD2 3.59Å; K437-L441 WeakPolarHBondContact O-CB 3.25Å; K437-L441 PolarHBondContact O-N 2.9Å; V438-L441 PolarHBondContact O-N 3.42Å; L441-L443 VanDerWaalsContact C-N 3.29Å; L441-L443 PolarHBondContact O-N 2.85Å; L441-V444 PolarHBondContact O-N 3.44Å; L441-E445 WeakPolarHBondContact CG-OE1 3.11Å; L441-E445 VanDerWaalsContact O-CG 3.27Å; L441-E445 WeakPolarHBondContact O-CG 3.37Å; L441-E445 PolarHBondContact O-N 2.99Å
442G79.9Confident83.3Confident23 Ų2364.2 Ų64.224%0.23735%0.35CS..Hα-helixtrans-61.8-34.1176.200000113.6V438 M446V438-G442 PolarHBondContact O-N 3.1Å; G442-M446 WeakPolarHBondContact O-CB 3.27Å; G442-M446 WeakPolarHBondContact O-CG 3.21Å; G442-M446 PolarHBondContact O-N 3.25Å
443L84.7Confident83.7Confident99 Ų9962.8 Ų62.852%0.51835%0.345SS..Hα-helixtrans-68-44.8174.6-177.5139.1000111.8K439 L440 L441 E445 M446 V447K439-L443 VanDerWaalsContact O-CB 3.28Å; K439-L443 WeakPolarHBondContact O-CB 3.3Å; K439-L443 PolarHBondContact O-N 2.95Å; L440-L443 PolarHBondContact O-N 3.35Å; L441-L443 VanDerWaalsContact C-N 3.29Å; L441-L443 PolarHBondContact O-N 2.85Å; L443-E445 VanDerWaalsContact C-N 3.3Å; L443-E445 PolarHBondContact O-N 3.47Å; L443-M446 PolarHBondContact O-N 3.43Å; L443-V447 HydrophobicContact CD2-CG2 4.25Å; L443-V447 HydrophobicContact CG-CG2 4.47Å; L443-V447 WeakPolarHBondContact O-CB 3.35Å; L443-V447 VanDerWaalsContact O-CG2 3.24Å; L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.86Å
444V84.9Confident84.4Confident61 Ų6163.3 Ų63.337%0.3735%0.354SS..Hα-helixtrans-60.7-42.9175.9169.60000110.4L26 L440 L441 V447 L448L26-V444 HydrophobicContact CD2-CG1 4.4Å; L440-V444 HydrophobicContact CD1-CG2 4.31Å; L440-V444 VanDerWaalsContact O-CG2 3.31Å; L440-V444 WeakPolarHBondContact O-CG2 3.36Å; L440-V444 PolarHBondContact O-N 3.34Å; L441-V444 PolarHBondContact O-N 3.44Å; V444-V447 PolarHBondContact O-N 3.49Å; V444-L448 HydrophobicContact CG1-CD1 3.78Å; V444-L448 HydrophobicContact CG1-CG 4.33Å; V444-L448 WeakPolarHBondContact O-CB 3.28Å; V444-L448 VanDerWaalsContact O-CG 3.27Å; V444-L448 WeakPolarHBondContact O-CG 3.22Å; V444-L448 PolarHBondContact O-N 2.87Å
445E84.4Confident85Confident13 Ų1365.4 Ų65.46%0.06136%0.363CS..Hα-helixtrans-59.7-50.4175.5-71.9165.2-172.500112.2L26 M27 L441 L443 V447 L448 L449L26-E445 HydrophobicContact CB-CG 4.17Å; L26-E445 HydrophobicContact CD2-CG 3.9Å; L26-E445 HydrophobicContact CG-CG 3.91Å; M27-E445 HydrophobicContact CE-CB 4.33Å; M27-E445 HydrophobicContact CG-CB 3.96Å; M27-E445 HydrophobicContact CG-CG 4.15Å; L441-E445 WeakPolarHBondContact CG-OE1 3.11Å; L441-E445 VanDerWaalsContact O-CG 3.27Å; L441-E445 WeakPolarHBondContact O-CG 3.37Å; L441-E445 PolarHBondContact O-N 2.99Å; L443-E445 VanDerWaalsContact C-N 3.3Å; L443-E445 PolarHBondContact O-N 3.47Å; E445-V447 VanDerWaalsContact C-N 3.33Å; E445-V447 PolarHBondContact O-N 3.27Å; E445-L448 PolarHBondContact O-N 3.33Å; E445-L449 WeakPolarHBondContact O-CB 3.42Å; E445-L449 PolarHBondContact O-N 2.93Å
446M85Confident85.8Confident131 Ų13168.9 Ų68.965%0.64538%0.377SS*.Hα-helixtrans-62.7-39.1178.4-75.6-157.9-6600112.5G442 L443 G450G442-M446 WeakPolarHBondContact O-CB 3.27Å; G442-M446 WeakPolarHBondContact O-CG 3.21Å; G442-M446 PolarHBondContact O-N 3.25Å; L443-M446 PolarHBondContact O-N 3.43Å; M446-G450 PolarHBondContact O-N 3.35Å
447V89.1Confident86.7Confident71 Ų7170.6 Ų70.643%0.4338%0.382SS..Hα-helixtrans-67.1-45.7177.8169.40000111L443 V444 E445 G450 L451L443-V447 HydrophobicContact CD2-CG2 4.25Å; L443-V447 HydrophobicContact CG-CG2 4.47Å; L443-V447 WeakPolarHBondContact O-CB 3.35Å; L443-V447 VanDerWaalsContact O-CG2 3.24Å; L443-V447 WeakPolarHBondContact O-CG2 3.32Å; L443-V447 PolarHBondContact O-N 2.86Å; V444-V447 PolarHBondContact O-N 3.49Å; E445-V447 VanDerWaalsContact C-N 3.33Å; E445-V447 PolarHBondContact O-N 3.27Å; V447-G450 PolarHBondContact O-N 2.99Å; V447-L451 HydrophobicContact CG1-CD1 3.6Å; V447-L451 HydrophobicContact CG1-CG 4.22Å; V447-L451 VanDerWaalsContact O-CB 3.26Å; V447-L451 WeakPolarHBondContact O-CB 3.31Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.25Å; V447-L451 PolarHBondContact O-N 3.45Å
448L88.6Confident87.5Confident41 Ų4166.4 Ų66.422%0.21537%0.372CS..Hα-helixtrans-62.8-44.6178.2-74.3171.2000111.8L19 F22 L26 V444 E445 G452L19-L448 HydrophobicContact CD2-CD2 4.3Å; F22-L448 HydrophobicContact CD1-CD1 4.23Å; F22-L448 HydrophobicContact CE1-CD1 4.38Å; L26-L448 HydrophobicContact CD2-CD1 3.91Å; V444-L448 HydrophobicContact CG1-CD1 3.78Å; V444-L448 HydrophobicContact CG1-CG 4.33Å; V444-L448 WeakPolarHBondContact O-CB 3.28Å; V444-L448 VanDerWaalsContact O-CG 3.27Å; V444-L448 WeakPolarHBondContact O-CG 3.22Å; V444-L448 PolarHBondContact O-N 2.87Å; E445-L448 PolarHBondContact O-N 3.33Å; L448-G452 PolarHBondContact O-N 3.38Å
449L90.4Very high88.2Confident63 Ų6367.7 Ų67.733%0.3337%0.374SS..Hα-helixtrans-63.7-49.9176.6-170.7105.2000111M27 E445 G452 V453M27-L449 HydrophobicContact CE-CB 4.07Å; M27-L449 HydrophobicContact CE-CD1 3.97Å; M27-L449 HydrophobicContact CE-CD2 4.1Å; M27-L449 HydrophobicContact CE-CG 4.26Å; E445-L449 WeakPolarHBondContact O-CB 3.42Å; E445-L449 PolarHBondContact O-N 2.93Å; L449-G452 PolarHBondContact O-N 3.08Å; L449-V453 VanDerWaalsContact O-CG2 3.3Å; L449-V453 WeakPolarHBondContact O-CG2 3.25Å; L449-V453 PolarHBondContact O-N 3.45Å
450G91.3Very high88.8Confident33 Ų3364.9 Ų64.934%0.3436%0.364SS..Hα-helixtrans-61.4-49.3-178.700000112.6M446 V447 V453 V454M446-G450 PolarHBondContact O-N 3.35Å; V447-G450 PolarHBondContact O-N 2.99Å; G450-V453 PolarHBondContact O-N 3.47Å; G450-V454 WeakPolarHBondContact O-CB 3.45Å; G450-V454 VanDerWaalsContact O-CG2 3.27Å; G450-V454 WeakPolarHBondContact O-CG2 3.46Å; G450-V454 PolarHBondContact O-N 2.96Å
451L93.1Very high89.2Confident101 Ų10164.7 Ų64.753%0.52936%0.362SS..Hα-helixtrans-62.6-43.4176.4-72.1173.8000111.6V447 V453 V454 M455V447-L451 HydrophobicContact CG1-CD1 3.6Å; V447-L451 HydrophobicContact CG1-CG 4.22Å; V447-L451 VanDerWaalsContact O-CB 3.26Å; V447-L451 WeakPolarHBondContact O-CB 3.31Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.25Å; V447-L451 PolarHBondContact O-N 3.45Å; L451-V453 PolarHBondContact O-N 3.05Å; L451-V454 PolarHBondContact O-N 3.23Å; L451-M455 WeakPolarHBondContact O-CB 3.3Å; L451-M455 WeakPolarHBondContact O-CG 3.15Å; L451-M455 PolarHBondContact O-N 3.46Å
452G92.4Very high89.6Confident0 Ų064.9 Ų64.90%037%0.368CS..Hα-helixtrans-58.5-48.1177.900000112.5G16 L448 L449 F456G16-G452 CarbonylContact C-O 3.47Å; G16-G452 WeakPolarHBondContact CA-O 3.34Å; G16-G452 CarbonylContact O-C 3.37Å; G16-G452 VanDerWaalsContact O-CA 3.25Å; G16-G452 WeakPolarHBondContact O-CA 3.37Å; G16-G452 VanDerWaalsContact O-O 3.14Å; L448-G452 PolarHBondContact O-N 3.38Å; L449-G452 PolarHBondContact O-N 3.08Å; G452-F456 WeakPolarHBondContact O-CB 3.33Å; G452-F456 PolarHBondContact O-N 3.49Å
453V92.8Very high89.9Confident72 Ų7266.2 Ų66.244%0.43637%0.366SS..Hα-helixtrans-64.9-46.5178.7172.70000111.4A20 L449 G450 L451 M455 F456 V457A20-V453 HydrophobicContact CB-CG2 4.11Å; L449-V453 VanDerWaalsContact O-CG2 3.3Å; L449-V453 WeakPolarHBondContact O-CG2 3.25Å; L449-V453 PolarHBondContact O-N 3.45Å; G450-V453 PolarHBondContact O-N 3.47Å; L451-V453 PolarHBondContact O-N 3.05Å; V453-M455 PolarHBondContact O-N 2.9Å; V453-F456 PolarHBondContact O-N 3.26Å; V453-V457 HydrophobicContact CG1-CG2 4.38Å; V453-V457 WeakPolarHBondContact O-CG2 3.3Å; V453-V457 PolarHBondContact O-N 2.98Å
454V94.3Very high89.9Confident99 Ų9965 Ų6560%0.637%0.365SS*.Hα-helixtrans-61.3-46.2179.6169.90000110.9G450 L451 V457 A458G450-V454 WeakPolarHBondContact O-CB 3.45Å; G450-V454 VanDerWaalsContact O-CG2 3.27Å; G450-V454 WeakPolarHBondContact O-CG2 3.46Å; G450-V454 PolarHBondContact O-N 2.96Å; L451-V454 PolarHBondContact O-N 3.23Å; V454-V457 PolarHBondContact O-N 2.86Å; V454-A458 VanDerWaalsContact O-CB 3.23Å; V454-A458 WeakPolarHBondContact O-CB 3.43Å; V454-A458 PolarHBondContact O-N 3.25Å
455M92.8Very high89.9Confident56 Ų5664.6 Ų64.628%0.27637%0.368SS..Hα-helixtrans-62.5-47.7176.7-71.8-159.9-25.500111.4I15 L19 L451 V453 V457 A458 F459I15-M455 HydrophobicContact CB-CE 4.35Å; I15-M455 HydrophobicContact CG2-CE 3.73Å; L19-M455 HydrophobicContact CD1-CE 3.66Å; L451-M455 WeakPolarHBondContact O-CB 3.3Å; L451-M455 WeakPolarHBondContact O-CG 3.15Å; L451-M455 PolarHBondContact O-N 3.46Å; V453-M455 PolarHBondContact O-N 2.9Å; M455-V457 VanDerWaalsContact C-N 3.33Å; M455-V457 PolarHBondContact O-N 3.5Å; M455-A458 PolarHBondContact O-N 3.36Å; M455-F459 HydrophobicContact CB-CD2 4.21Å; M455-F459 HydrophobicContact CB-CE2 4.4Å; M455-F459 WeakPolarHBondContact O-CB 3.46Å; M455-F459 WeakPolarHBondContact O-CD2 3.32Å; M455-F459 PolarHBondContact O-N 2.95Å
456F93.1Very high89.7Confident84 Ų8465.1 Ų65.137%0.36837%0.373SS..Hα-helixtrans-54.5-50.5179177.7-102000111.4A13 A17 G452 V453 M460A13-F456 HydrophobicContact CB-CD2 4.36Å; A13-F456 WeakPolarHBondContact O-CD2 3.24Å; A17-F456 HydrophobicContact CB-CD2 3.79Å; A17-F456 HydrophobicContact CB-CE2 4.1Å; G452-F456 WeakPolarHBondContact O-CB 3.33Å; G452-F456 PolarHBondContact O-N 3.49Å; V453-F456 PolarHBondContact O-N 3.26Å; F456-M460 HydrophobicContact CD2-CG 4.27Å; F456-M460 HydrophobicContact CE1-CG 4.26Å; F456-M460 HydrophobicContact CE2-CG 3.98Å; F456-M460 HydrophobicContact CZ-CG 3.98Å; F456-M460 VanDerWaalsContact O-CB 3.24Å; F456-M460 WeakPolarHBondContact O-CB 3.27Å; F456-M460 WeakPolarHBondContact O-CG 3.24Å; F456-M460 PolarHBondContact O-N 3.49Å
457V93.1Very high89.4Confident68 Ų6865 Ų6541%0.41237%0.365SS..Hα-helixtrans-65-46.5-179.6174.50000111.3V453 V454 M455 F459 M460 I461V453-V457 HydrophobicContact CG1-CG2 4.38Å; V453-V457 WeakPolarHBondContact O-CG2 3.3Å; V453-V457 PolarHBondContact O-N 2.98Å; V454-V457 PolarHBondContact O-N 2.86Å; M455-V457 VanDerWaalsContact C-N 3.33Å; M455-V457 PolarHBondContact O-N 3.5Å; V457-F459 PolarHBondContact O-N 3.22Å; V457-M460 PolarHBondContact O-N 2.91Å; V457-I461 HydrophobicContact CG1-CD1 3.55Å; V457-I461 HydrophobicContact CG1-CG1 4.24Å; V457-I461 WeakPolarHBondContact O-CB 3.31Å; V457-I461 VanDerWaalsContact O-CG1 3.25Å; V457-I461 WeakPolarHBondContact O-CG1 3.38Å; V457-I461 PolarHBondContact O-N 3.35Å
458A92.1Very high88.6Confident46 Ų4665.4 Ų65.438%0.3837%0.371SS..Hα-helixtrans-62.9-44.8-17800000112.6V454 M455 S462V454-A458 VanDerWaalsContact O-CB 3.23Å; V454-A458 WeakPolarHBondContact O-CB 3.43Å; V454-A458 PolarHBondContact O-N 3.25Å; M455-A458 PolarHBondContact O-N 3.36Å; A458-S462 VanDerWaalsContact O-CB 3.3Å; A458-S462 WeakPolarHBondContact O-CB 3.38Å; A458-S462 PolarHBondContact O-N 3.45Å; A458-S462 PolarHBondContact O-OG 2.9Å
459F91.8Very high87.5Confident70 Ų7071.6 Ų71.631%0.30740%0.396SS..Hα-helixtrans-69.8-36.3177.9-79.2-71.7000112L9 A13 M455 V457 S462 Y463L9-F459 HydrophobicContact CD2-CD1 3.76Å; L9-F459 HydrophobicContact CD2-CE1 4.26Å; A13-F459 HydrophobicContact CB-CB 3.97Å; M455-F459 HydrophobicContact CB-CD2 4.21Å; M455-F459 HydrophobicContact CB-CE2 4.4Å; M455-F459 WeakPolarHBondContact O-CB 3.46Å; M455-F459 WeakPolarHBondContact O-CD2 3.32Å; M455-F459 PolarHBondContact O-N 2.95Å; V457-F459 PolarHBondContact O-N 3.22Å; F459-S462 PolarHBondContact O-N 2.82Å; F459-Y463 VanDerWaalsContact O-CB 3.3Å; F459-Y463 WeakPolarHBondContact O-CB 3.24Å; F459-Y463 PolarHBondContact O-N 2.88Å
460M89.6Confident86Confident72 Ų7273.7 Ų73.736%0.35541%0.408SS..Hα-helixtrans-67.6-43.4175-75.4-61.5-67.600112.8A13 F456 V457 S462 Y463 C464A13-M460 HydrophobicContact CB-CG 3.96Å; A13-M460 HydrophobicContact CB-SD 3.89Å; F456-M460 HydrophobicContact CD2-CG 4.27Å; F456-M460 HydrophobicContact CE1-CG 4.26Å; F456-M460 HydrophobicContact CE2-CG 3.98Å; F456-M460 HydrophobicContact CZ-CG 3.98Å; F456-M460 VanDerWaalsContact O-CB 3.24Å; F456-M460 WeakPolarHBondContact O-CB 3.27Å; F456-M460 WeakPolarHBondContact O-CG 3.24Å; F456-M460 PolarHBondContact O-N 3.49Å; V457-M460 PolarHBondContact O-N 2.91Å; M460-S462 VanDerWaalsContact C-N 3.33Å; M460-S462 PolarHBondContact O-N 3.42Å; M460-Y463 PolarHBondContact O-N 3.3Å; M460-C464 WeakPolarHBondContact O-CB 3.45Å; M460-C464 PolarHBondContact O-N 2.95Å; M460-C464 PolarHBondContact O-SG 3.5Å; M460-C464 VanDerWaalsContact O-SG 3.33Å
461I90.1Very high84.3Confident107 Ų10782 Ų8255%0.54943%0.429SS..Hα-helixtrans-61-45.9174-69.3169.6000109.9V457 Y463 C464 A465V457-I461 HydrophobicContact CG1-CD1 3.55Å; V457-I461 HydrophobicContact CG1-CG1 4.24Å; V457-I461 WeakPolarHBondContact O-CB 3.31Å; V457-I461 VanDerWaalsContact O-CG1 3.25Å; V457-I461 WeakPolarHBondContact O-CG1 3.38Å; V457-I461 PolarHBondContact O-N 3.35Å; I461-Y463 VanDerWaalsContact C-N 3.33Å; I461-Y463 PolarHBondContact O-N 3.49Å; I461-C464 PolarHBondContact O-N 2.89Å; I461-A465 WeakPolarHBondContact O-CB 3.29Å; I461-A465 PolarHBondContact O-N 3.27Å
462S87.1Confident82Confident52 Ų5289 Ų8936%0.36446%0.455SS..Hα-helixtrans-62.3-39.4178.9-61.80000112.2A458 F459 M460 C466A458-S462 VanDerWaalsContact O-CB 3.3Å; A458-S462 WeakPolarHBondContact O-CB 3.38Å; A458-S462 PolarHBondContact O-N 3.45Å; A458-S462 PolarHBondContact O-OG 2.9Å; F459-S462 PolarHBondContact O-N 2.82Å; M460-S462 VanDerWaalsContact C-N 3.33Å; M460-S462 PolarHBondContact O-N 3.42Å; S462-C466 WeakPolarHBondContact O-CB 3.41Å; S462-C466 PolarHBondContact O-N 2.92Å; S462-C466 PolarHBondContact O-SG 2.94Å
463Y87.4Confident81.4Confident51 Ų5193.4 Ų93.420%0.248%0.478CS..Hα-helixtrans-63.4-48.6173.9176.6-106.3000111.8N6 L9 I10 F459 M460 I461 A465 C466 R467N6-Y463 HydrophobicContact CB-CE2 4.31Å; L9-Y463 HydrophobicContact CB-CD2 4.44Å; I10-Y463 HydrophobicContact CD1-CD2 4.42Å; I10-Y463 HydrophobicContact CD1-CE2 3.78Å; I10-Y463 HydrophobicContact CG1-CD2 4.02Å; I10-Y463 HydrophobicContact CG1-CE2 3.87Å; F459-Y463 VanDerWaalsContact O-CB 3.3Å; F459-Y463 WeakPolarHBondContact O-CB 3.24Å; F459-Y463 PolarHBondContact O-N 2.88Å; M460-Y463 PolarHBondContact O-N 3.3Å; I461-Y463 VanDerWaalsContact C-N 3.33Å; I461-Y463 PolarHBondContact O-N 3.49Å; Y463-A465 PolarHBondContact O-N 3.5Å; Y463-C466 PolarHBondContact O-N 3.38Å; Y463-R467 WeakPolarHBondContact O-CB 3.32Å; Y463-R467 PolarHBondContact O-N 3.45Å
464C85.3Confident80.8Confident73 Ų7394.5 Ų94.549%0.49348%0.48SS..Hα-helixtrans-61.4-43177.4-72.20000112.2M460 I461 R467 S468M460-C464 WeakPolarHBondContact O-CB 3.45Å; M460-C464 PolarHBondContact O-N 2.95Å; M460-C464 PolarHBondContact O-SG 3.5Å; M460-C464 VanDerWaalsContact O-SG 3.33Å; I461-C464 PolarHBondContact O-N 2.89Å; C464-R467 PolarHBondContact O-N 3.49Å; C464-S468 WeakPolarHBondContact O-CB 3.34Å; C464-S468 PolarHBondContact O-N 2.94Å
465A84.2Confident80.1Confident53 Ų5394.3 Ų94.344%0.43847%0.473SS..Hα-helixtrans-65.2-42.2177.100000112.3I461 Y463 S468 K469I461-A465 WeakPolarHBondContact O-CB 3.29Å; I461-A465 PolarHBondContact O-N 3.27Å; Y463-A465 PolarHBondContact O-N 3.5Å; A465-S468 PolarHBondContact O-N 3.47Å; A465-K469 PolarHBondContact O-N 3.33Å; A465-K469 VanDerWaalsContact O-N 3.1Å
466C80.3Confident79.3Confident24 Ų2496.5 Ų96.516%0.16249%0.485CS..Hα-helixtrans-64.1-40.5175.1-76.10000112.2L9 S462 Y463 K469 N470L9-C466 HydrophobicContact CD1-CB 4.32Å; S462-C466 WeakPolarHBondContact O-CB 3.41Å; S462-C466 PolarHBondContact O-N 2.92Å; S462-C466 PolarHBondContact O-SG 2.94Å; Y463-C466 PolarHBondContact O-N 3.38Å; C466-K469 PolarHBondContact O-N 3.3Å; C466-N470 PolarHBondContact O-N 2.88Å
467R77.8Confident78.5Confident128 Ų12897.3 Ų97.348%0.48349%0.492SS..Hα-helixtrans-69.6-35.4177.9-166.7176.4-177176.42.4112.4Y463 C464 N470Y463-R467 WeakPolarHBondContact O-CB 3.32Å; Y463-R467 PolarHBondContact O-N 3.45Å; C464-R467 PolarHBondContact O-N 3.49Å; R467-N470 PolarHBondContact O-N 3.41Å
468S72.3Confident77.5Confident80 Ų8099.3 Ų99.356%0.55950%0.498SS*.Hα-helixtrans-65.4-40.8174.8179.30000112.1C464 A465 N470 R471C464-S468 WeakPolarHBondContact O-CB 3.34Å; C464-S468 PolarHBondContact O-N 2.94Å; A465-S468 PolarHBondContact O-N 3.47Å; S468-N470 PolarHBondContact O-N 3.01Å; S468-R471 PolarHBondContact O-N 3.44Å
469K66.6Low76.5Confident171 Ų171103.1 Ų103.174%0.74351%0.506SS*.Hα-helixtrans-66.6-31.6176.1-83.1-175.2176.1-179.90114.3A465 C466 R471A465-K469 PolarHBondContact O-N 3.33Å; A465-K469 VanDerWaalsContact O-N 3.1Å; C466-K469 PolarHBondContact O-N 3.3Å; K469-R471 VanDerWaalsContact C-N 3.3Å; K469-R471 PolarHBondContact O-N 3.42Å
470N59.2Low75.3Confident108 Ų108105.6 Ų105.658%0.57852%0.521SS*.THydrogen-bonded Turntrans-81.3-3.8177.6-793.6000114.2C466 R467 S468C466-N470 PolarHBondContact O-N 2.88Å; R467-N470 PolarHBondContact O-N 3.41Å; S468-N470 PolarHBondContact O-N 3.01Å
471R54.4Low74.1Confident207 Ų207108.4 Ų108.478%0.78154%0.535SS*.THydrogen-bonded Turntrans-98-4.1177.4-98.3-178.3172.8179.6-3.5113.5S468 K469S468-R471 PolarHBondContact O-N 3.44Å; K469-R471 VanDerWaalsContact C-N 3.3Å; K469-R471 PolarHBondContact O-N 3.42Å
472K44.5Very low72.6Confident247 Ų247108.5 Ų108.5100%1.07453%0.534SS*.  trans-97.30162.5-74.2-177175.2-176.30107.8

Retrieved 472 of 472 residues in 505.3 ms (Link to these results)

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