A0A077ZGY9_TRITR Loading...

AsmA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 686 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
1M49.3Very low72.2Confident177 Ų17799.8 Ų99.887%0.87257%0.565SS**  01290-85.1165.872.200109.8G5 A9M1-G5 VanDerWaalsContact CE-C 3.4Å; M1-G5 WeakPolarHBondContact CE-O 3.36Å; M1-A9 HydrophobicContact CE-CB 4.11Å
2S63.1Low73.1Confident84 Ų8496.9 Ų96.959%0.58756%0.556SS**  trans-64.3161.4172.666.10000111.2A4 G5 K6S2-A4 PolarHBondContact O-N 3.43Å; S2-A4 VanDerWaalsContact O-N 3.15Å; S2-G5 WeakPolarHBondContact O-CA 3.24Å; S2-G5 PolarHBondContact O-N 3.09Å; S2-K6 PolarHBondContact O-N 3.09Å
3K67.2Low74.2Confident189 Ų18992.4 Ų92.482%0.82254%0.543SS*.Hα-helixtrans-50.2-38176.6-92.9-177175.4179.50112.6G5 K6 I7K3-G5 VanDerWaalsContact C-N 3.32Å; K3-G5 PolarHBondContact O-N 2.74Å; K3-K6 PolarHBondContact O-N 3.4Å; K3-I7 PolarHBondContact O-N 2.97Å
4A71.3Confident75.1Confident65 Ų6589.9 Ų89.954%0.53754%0.538SS..Hα-helixtrans-61.6-37.417500000112.7S2 K6 I7 T8S2-A4 PolarHBondContact O-N 3.43Å; S2-A4 VanDerWaalsContact O-N 3.15Å; A4-K6 PolarHBondContact O-N 2.9Å; A4-I7 PolarHBondContact O-N 3.22Å; A4-T8 PolarHBondContact O-N 3.13Å; A4-T8 PolarHBondContact O-OG1 3.43Å
5G66.1Low75.9Confident15 Ų1593.1 Ų93.116%0.15554%0.543CS..Hα-helixtrans-64.9-33.6175.500000114M1 S2 K3 T8 A9M1-G5 VanDerWaalsContact CE-C 3.4Å; M1-G5 WeakPolarHBondContact CE-O 3.36Å; S2-G5 WeakPolarHBondContact O-CA 3.24Å; S2-G5 PolarHBondContact O-N 3.09Å; K3-G5 VanDerWaalsContact C-N 3.32Å; K3-G5 PolarHBondContact O-N 2.74Å; G5-T8 VanDerWaalsContact CA-OG1 3.28Å; G5-T8 WeakPolarHBondContact CA-OG1 3.32Å; G5-T8 PolarHBondContact O-OG1 3.01Å; G5-T8 VanDerWaalsContact O-OG1 3.08Å; G5-A9 VanDerWaalsContact O-CB 3.28Å; G5-A9 WeakPolarHBondContact O-CB 3.31Å; G5-A9 PolarHBondContact O-N 2.86Å; G5-A9 VanDerWaalsContact O-N 3.08Å
6K74.2Confident76.6Confident146 Ų14694.1 Ų94.164%0.63554%0.544SS*.Hα-helixtrans-73.5-40.3177.7-71.3-173.7178.5-1760112.4S2 K3 A4 A9 A10S2-K6 PolarHBondContact O-N 3.09Å; K3-K6 PolarHBondContact O-N 3.4Å; A4-K6 PolarHBondContact O-N 2.9Å; K6-A9 PolarHBondContact O-N 3.17Å; K6-A10 WeakPolarHBondContact O-CB 3.31Å; K6-A10 PolarHBondContact O-N 3.16Å
7I77.4Confident77.3Confident109 Ų10995.4 Ų95.456%0.55955%0.548SS*.Hα-helixtrans-67.7-45.2178.3-64.2171.1000110.3K3 A4 A9 A10 I11K3-I7 PolarHBondContact O-N 2.97Å; A4-I7 PolarHBondContact O-N 3.22Å; I7-A9 PolarHBondContact O-N 3.11Å; I7-A10 PolarHBondContact O-N 3.22Å; I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.45Å; I7-I11 WeakPolarHBondContact O-CG1 3.37Å; I7-I11 PolarHBondContact O-N 3.08Å
8T79.3Confident78Confident84 Ų8496.9 Ų96.952%0.51555%0.553SS.*Hα-helixtrans-60.3-44.9174.940.60000111.6A4 G5 A10 I11 S12A4-T8 PolarHBondContact O-N 3.13Å; A4-T8 PolarHBondContact O-OG1 3.43Å; G5-T8 VanDerWaalsContact CA-OG1 3.28Å; G5-T8 WeakPolarHBondContact CA-OG1 3.32Å; G5-T8 PolarHBondContact O-OG1 3.01Å; G5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-A10 PolarHBondContact O-N 2.99Å; T8-I11 PolarHBondContact O-N 2.94Å; T8-S12 WeakPolarHBondContact O-CB 3.35Å; T8-S12 PolarHBondContact O-N 3.48Å; T8-S12 PolarHBondContact O-OG 3.43Å
9A80.7Confident78.4Confident51 Ų5195.5 Ų95.542%0.42154%0.543SS..Hα-helixtrans-61.3-39.9175.200000113.4M1 G5 K6 I7 G13M1-A9 HydrophobicContact CE-CB 4.11Å; G5-A9 VanDerWaalsContact O-CB 3.28Å; G5-A9 WeakPolarHBondContact O-CB 3.31Å; G5-A9 PolarHBondContact O-N 2.86Å; G5-A9 VanDerWaalsContact O-N 3.08Å; K6-A9 PolarHBondContact O-N 3.17Å; I7-A9 PolarHBondContact O-N 3.11Å; A9-G13 PolarHBondContact O-N 3.27Å
10A80.4Confident78.8Confident64 Ų6494.4 Ų94.453%0.52954%0.538SS..Hα-helixtrans-67-42.6177.800000112.4K6 I7 T8 G13 A14K6-A10 WeakPolarHBondContact O-CB 3.31Å; K6-A10 PolarHBondContact O-N 3.16Å; I7-A10 PolarHBondContact O-N 3.22Å; T8-A10 PolarHBondContact O-N 2.99Å; A10-G13 PolarHBondContact O-N 3.1Å; A10-A14 WeakPolarHBondContact O-CB 3.48Å; A10-A14 PolarHBondContact O-N 3.18Å
11I85.1Confident79.2Confident114 Ų11493.1 Ų93.159%0.58553%0.532SS*.Hα-helixtrans-64.3-45.9175.6-66.5169.3000110.2I7 T8 G13 A14 F15I7-I11 HydrophobicContact CG2-CD1 3.81Å; I7-I11 HydrophobicContact CG2-CG1 4.45Å; I7-I11 WeakPolarHBondContact O-CG1 3.37Å; I7-I11 PolarHBondContact O-N 3.08Å; T8-I11 PolarHBondContact O-N 2.94Å; I11-G13 VanDerWaalsContact C-N 3.33Å; I11-G13 PolarHBondContact O-N 2.89Å; I11-A14 PolarHBondContact O-N 3.26Å; I11-F15 WeakPolarHBondContact O-CB 3.31Å; I11-F15 PolarHBondContact O-N 2.97Å
12S83.6Confident80.9Confident65 Ų6586.7 Ų86.746%0.45551%0.507SS..Hα-helixtrans-61.7-40.1176-61.20000112.3T8 F15 L16T8-S12 WeakPolarHBondContact O-CB 3.35Å; T8-S12 PolarHBondContact O-N 3.48Å; T8-S12 PolarHBondContact O-OG 3.43Å; S12-F15 PolarHBondContact O-N 2.77Å; S12-L16 WeakPolarHBondContact O-CB 3.46Å; S12-L16 WeakPolarHBondContact O-CG 3.48Å; S12-L16 PolarHBondContact O-N 2.93Å
13G86.7Confident81.8Confident38 Ų3887.6 Ų87.639%0.39251%0.505SS..Hα-helixtrans-65.6-44176.300000113A9 A10 I11 L16 L17A9-G13 PolarHBondContact O-N 3.27Å; A10-G13 PolarHBondContact O-N 3.1Å; I11-G13 VanDerWaalsContact C-N 3.33Å; I11-G13 PolarHBondContact O-N 2.89Å; G13-L16 PolarHBondContact O-N 2.7Å; G13-L17 WeakPolarHBondContact O-CB 3.48Å; G13-L17 PolarHBondContact O-N 3.08Å
14A86.9Confident82.6Confident57 Ų5783.1 Ų83.147%0.47149%0.489SS..Hα-helixtrans-64-40.6175.500000111.9A10 I11 L17 L18A10-A14 WeakPolarHBondContact O-CB 3.48Å; A10-A14 PolarHBondContact O-N 3.18Å; I11-A14 PolarHBondContact O-N 3.26Å; A14-L17 PolarHBondContact O-N 3Å; A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 PolarHBondContact O-N 3.37Å
15F87.6Confident83.3Confident138 Ų13885.2 Ų85.261%0.60549%0.49SS*.Hα-helixtrans-64.7-43.8176-172.5-106.4000112I11 S12 L18 I19I11-F15 WeakPolarHBondContact O-CB 3.31Å; I11-F15 PolarHBondContact O-N 2.97Å; S12-F15 PolarHBondContact O-N 2.77Å; F15-L18 PolarHBondContact O-N 3.38Å; F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CE1-CD1 3.35Å; F15-I19 HydrophobicContact CE1-CG1 4.37Å; F15-I19 HydrophobicContact CG-CD1 4.45Å; F15-I19 HydrophobicContact CZ-CD1 3.92Å; F15-I19 WeakPolarHBondContact O-CG1 3.37Å; F15-I19 PolarHBondContact O-N 3.42Å
16L87.2Confident84.1Confident109 Ų10988 Ų8857%0.57150%0.501SS*.Hα-helixtrans-60.9-43.8173.3-83.1163.9000112S12 G13 L18 I19 V20S12-L16 WeakPolarHBondContact O-CB 3.46Å; S12-L16 WeakPolarHBondContact O-CG 3.48Å; S12-L16 PolarHBondContact O-N 2.93Å; G13-L16 PolarHBondContact O-N 2.7Å; L16-L18 PolarHBondContact O-N 3.44Å; L16-I19 PolarHBondContact O-N 3.01Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 2.84Å
17L88.8Confident84.3Confident116 Ų11684.7 Ų84.761%0.60750%0.501SS*.Hα-helixtrans-60.5-45176.1-17575.8000111.2G13 A14 I19 V20 V21G13-L17 WeakPolarHBondContact O-CB 3.48Å; G13-L17 PolarHBondContact O-N 3.08Å; A14-L17 PolarHBondContact O-N 3Å; L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 PolarHBondContact O-N 3.47Å; L17-V20 PolarHBondContact O-N 3.05Å; L17-V21 HydrophobicContact CG-CG2 4.4Å; L17-V21 WeakPolarHBondContact O-CB 3.22Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 3.41Å
18L89.8Confident84.6Confident123 Ų12384.5 Ų84.564%0.64450%0.504SS*.Hα-helixtrans-59.3-43177-114.6159.8000111.9A14 F15 L16 V21 A22A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 PolarHBondContact O-N 3.37Å; F15-L18 PolarHBondContact O-N 3.38Å; L16-L18 PolarHBondContact O-N 3.44Å; L18-V21 PolarHBondContact O-N 3.17Å; L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.44Å; L18-A22 PolarHBondContact O-N 3.36Å
19I85.4Confident85.1Confident70 Ų7084.2 Ų84.236%0.35950%0.496SS..Hα-helixtrans-62.1-46.8174.4-70.4167.8000110.7F15 L16 L17 V21 A22 I23F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CE1-CD1 3.35Å; F15-I19 HydrophobicContact CE1-CG1 4.37Å; F15-I19 HydrophobicContact CG-CD1 4.45Å; F15-I19 HydrophobicContact CZ-CD1 3.92Å; F15-I19 WeakPolarHBondContact O-CG1 3.37Å; F15-I19 PolarHBondContact O-N 3.42Å; L16-I19 PolarHBondContact O-N 3.01Å; L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 PolarHBondContact O-N 3.47Å; I19-V21 PolarHBondContact O-N 2.86Å; I19-A22 PolarHBondContact O-N 3Å; I19-I23 HydrophobicContact CG2-CD1 3.64Å; I19-I23 HydrophobicContact CG2-CG1 4.31Å; I19-I23 WeakPolarHBondContact O-CB 3.47Å; I19-I23 VanDerWaalsContact O-CG1 3.23Å; I19-I23 WeakPolarHBondContact O-CG1 3.5Å; I19-I23 PolarHBondContact O-N 2.85Å
20V85.2Confident85.6Confident73 Ų7385.2 Ų85.244%0.44250%0.495SS..Hα-helixtrans-61.9-44.9179.2170.20000110.9L16 L17 A22 I23 I24L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 2.84Å; L17-V20 PolarHBondContact O-N 3.05Å; V20-A22 PolarHBondContact O-N 3.34Å; V20-I23 PolarHBondContact O-N 3.47Å; V20-I24 HydrophobicContact CG1-CD1 3.78Å; V20-I24 HydrophobicContact CG1-CG1 4.45Å; V20-I24 VanDerWaalsContact O-CG1 3.27Å; V20-I24 WeakPolarHBondContact O-CG1 3.42Å; V20-I24 PolarHBondContact O-N 3.34Å
21V87.3Confident86.1Confident69 Ų6985.1 Ų85.142%0.41848%0.481SS..Hα-helixtrans-62.2-43.6176.2171.80000110.9L17 L18 I19 I23 I24 L25L17-V21 HydrophobicContact CG-CG2 4.4Å; L17-V21 WeakPolarHBondContact O-CB 3.22Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 3.41Å; L18-V21 PolarHBondContact O-N 3.17Å; I19-V21 PolarHBondContact O-N 2.86Å; V21-I23 PolarHBondContact O-N 3.25Å; V21-I24 PolarHBondContact O-N 3.33Å; V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 HydrophobicContact CG1-CG 4.37Å; V21-L25 WeakPolarHBondContact O-CB 3.42Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.27Å
22A84.9Confident86.4Confident42 Ų4281.5 Ų81.535%0.34746%0.463SS..Hα-helixtrans-62.3-42.4176.300000112L18 I19 V20 L25 I26L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.44Å; L18-A22 PolarHBondContact O-N 3.36Å; I19-A22 PolarHBondContact O-N 3Å; V20-A22 PolarHBondContact O-N 3.34Å; A22-L25 PolarHBondContact O-N 3.39Å; A22-I26 WeakPolarHBondContact O-CB 3.29Å; A22-I26 VanDerWaalsContact O-CG1 3.24Å; A22-I26 WeakPolarHBondContact O-CG1 3.31Å; A22-I26 PolarHBondContact O-N 3.4Å
23I83.4Confident86.8Confident103 Ų10387 Ų8753%0.52847%0.473SS..Hα-helixtrans-62-46.3175.5-69.8166.9000110.6I19 V20 V21 I26 A27I19-I23 HydrophobicContact CG2-CD1 3.64Å; I19-I23 HydrophobicContact CG2-CG1 4.31Å; I19-I23 WeakPolarHBondContact O-CB 3.47Å; I19-I23 VanDerWaalsContact O-CG1 3.23Å; I19-I23 WeakPolarHBondContact O-CG1 3.5Å; I19-I23 PolarHBondContact O-N 2.85Å; V20-I23 PolarHBondContact O-N 3.47Å; V21-I23 PolarHBondContact O-N 3.25Å; I23-I26 PolarHBondContact O-N 3Å; I23-A27 VanDerWaalsContact O-CB 3.25Å; I23-A27 WeakPolarHBondContact O-CB 3.2Å; I23-A27 PolarHBondContact O-N 3.32Å
24I83.5Confident87.1Confident95 Ų9588.1 Ų88.149%0.48747%0.47SS..Hα-helixtrans-62.4-44.9178.1-68.5166.6000110.7V20 V21 A27 T28V20-I24 HydrophobicContact CG1-CD1 3.78Å; V20-I24 HydrophobicContact CG1-CG1 4.45Å; V20-I24 VanDerWaalsContact O-CG1 3.27Å; V20-I24 WeakPolarHBondContact O-CG1 3.42Å; V20-I24 PolarHBondContact O-N 3.34Å; V21-I24 PolarHBondContact O-N 3.33Å; I24-A27 PolarHBondContact O-N 2.66Å; I24-T28 HydrophobicContact CG2-CG2 4.35Å; I24-T28 WeakPolarHBondContact O-CB 3.16Å; I24-T28 WeakPolarHBondContact O-CG2 3.5Å; I24-T28 PolarHBondContact O-N 2.68Å; I24-T28 PolarHBondContact O-OG1 2.83Å
25L85.8Confident87.5Confident109 Ų10987.3 Ų87.357%0.57146%0.456SS*.Hα-helixtrans-59.4-49.7176.9-77.1171.1000110.9V21 A22 A27 T28 F29V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 HydrophobicContact CG1-CG 4.37Å; V21-L25 WeakPolarHBondContact O-CB 3.42Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.27Å; A22-L25 PolarHBondContact O-N 3.39Å; L25-A27 VanDerWaalsContact C-N 3.33Å; L25-A27 PolarHBondContact O-N 3.33Å; L25-T28 PolarHBondContact O-N 3.18Å; L25-F29 WeakPolarHBondContact O-CA 3.32Å; L25-F29 WeakPolarHBondContact O-CB 3.47Å; L25-F29 PolarHBondContact O-N 3.05Å
26I82.7Confident87.8Confident74 Ų7484.9 Ų84.938%0.37945%0.454SS..Hα-helixtrans-62.1-39.9178.6-68.5167000111.6A22 I23 W31 W60A22-I26 WeakPolarHBondContact O-CB 3.29Å; A22-I26 VanDerWaalsContact O-CG1 3.24Å; A22-I26 WeakPolarHBondContact O-CG1 3.31Å; A22-I26 PolarHBondContact O-N 3.4Å; I23-I26 PolarHBondContact O-N 3Å; I26-W31 HydrophobicContact CG2-CZ2 4.24Å; I26-W60 HydrophobicContact CG2-CZ2 3.6Å
27A79.7Confident88.2Confident76 Ų7682.8 Ų82.863%0.62845%0.446SS*.Hα-helixtrans-72.2-29.6-178.800000113.4I23 I24 L25I23-A27 VanDerWaalsContact O-CB 3.25Å; I23-A27 WeakPolarHBondContact O-CB 3.2Å; I23-A27 PolarHBondContact O-N 3.32Å; I24-A27 PolarHBondContact O-N 2.66Å; L25-A27 VanDerWaalsContact C-N 3.33Å; L25-A27 PolarHBondContact O-N 3.33Å
28T82.9Confident88.4Confident104 Ų10479.8 Ų79.864%0.63843%0.43SS*.Hα-helixtrans-100.8-1.7-179.659.50000113.7I24 L25 D30I24-T28 HydrophobicContact CG2-CG2 4.35Å; I24-T28 WeakPolarHBondContact O-CB 3.16Å; I24-T28 WeakPolarHBondContact O-CG2 3.5Å; I24-T28 PolarHBondContact O-N 2.68Å; I24-T28 PolarHBondContact O-OG1 2.83Å; L25-T28 PolarHBondContact O-N 3.18Å; T28-D30 PolarHBondContact O-N 3.29Å
29F90Very high88.7Confident79 Ų7975.4 Ų75.435%0.34641%0.407SS..  trans-69.8124.8-176.8-174.3-101000111L25 W31 L34L25-F29 WeakPolarHBondContact O-CA 3.32Å; L25-F29 WeakPolarHBondContact O-CB 3.47Å; L25-F29 PolarHBondContact O-N 3.05Å; F29-W31 AromaticContact CD1-CD2 3.78Å; F29-W31 HydrophobicContact CD1-CD2 3.78Å; F29-W31 AromaticContact CD1-CE3 3.9Å; F29-W31 HydrophobicContact CD1-CE3 3.9Å; F29-W31 HydrophobicContact CD1-CG 4.14Å; F29-W31 HydrophobicContact CD1-CZ2 4.46Å; F29-W31 HydrophobicContact CD1-CZ3 4.29Å; F29-W31 HydrophobicContact CE1-CD2 4.32Å; F29-W31 HydrophobicContact CE1-CE3 4.07Å; F29-W31 HydrophobicContact CE1-CZ3 4.5Å; F29-W31 PolarHBondContact O-N 2.89Å; F29-W31 VanDerWaalsContact O-N 3.11Å; F29-W31 PolarHBondContact O-NE1 3.5Å; F29-L34 HydrophobicContact CE1-CD1 3.78Å; F29-L34 HydrophobicContact CE1-CG 3.82Å; F29-L34 HydrophobicContact CZ-CD1 4.32Å; F29-L34 HydrophobicContact CZ-CD2 4.26Å; F29-L34 HydrophobicContact CZ-CG 4.03Å
30D90.3Very high89.2Confident72 Ų7279 Ų7939%0.38542%0.422SS..  trans-75.598.3171.2177.616000110.1T28 N32 R33T28-D30 PolarHBondContact O-N 3.29Å; D30-N32 PolarHBondContact O-N 2.76Å; D30-N32 VanDerWaalsContact OD1-CB 3.27Å; D30-N32 WeakPolarHBondContact OD1-CB 3.34Å; D30-N32 PolarHBondContact OD1-N 3.38Å; D30-N32 VanDerWaalsContact OD1-N 3.11Å; D30-N32 PolarHBondContact OD1-ND2 3.34Å; D30-R33 HydrophobicContact CB-CG 4.27Å; D30-R33 WeakPolarHBondContact O-CB 3.44Å; D30-R33 WeakPolarHBondContact O-CG 3.32Å; D30-R33 PolarHBondContact O-N 3.31Å; D30-R33 VanDerWaalsContact O-N 3.12Å; D30-R33 IonicContact OD2-NE 3.97Å
31W90.5Very high89.6Confident62 Ų6282.6 Ų82.624%0.23543%0.432CS..G310 helixtrans-60.9-22.5-179.4-63.296.3000113I26 F29 R33 L34 L56 V58I26-W31 HydrophobicContact CG2-CZ2 4.24Å; F29-W31 AromaticContact CD1-CD2 3.78Å; F29-W31 HydrophobicContact CD1-CD2 3.78Å; F29-W31 AromaticContact CD1-CE3 3.9Å; F29-W31 HydrophobicContact CD1-CE3 3.9Å; F29-W31 HydrophobicContact CD1-CG 4.14Å; F29-W31 HydrophobicContact CD1-CZ2 4.46Å; F29-W31 HydrophobicContact CD1-CZ3 4.29Å; F29-W31 HydrophobicContact CE1-CD2 4.32Å; F29-W31 HydrophobicContact CE1-CE3 4.07Å; F29-W31 HydrophobicContact CE1-CZ3 4.5Å; F29-W31 PolarHBondContact O-N 2.89Å; F29-W31 VanDerWaalsContact O-N 3.11Å; F29-W31 PolarHBondContact O-NE1 3.5Å; W31-R33 PolarHBondContact O-N 3.39Å; W31-R33 VanDerWaalsContact O-N 3.13Å; W31-L34 HydrophobicContact CE3-CD1 3.84Å; W31-L34 HydrophobicContact CZ3-CD1 4.09Å; W31-L34 WeakPolarHBondContact O-CB 3.37Å; W31-L34 PolarHBondContact O-N 3.39Å; W31-L56 HydrophobicContact CB-CG 4.3Å; W31-L56 VanDerWaalsContact CB-O 3.31Å; W31-L56 WeakPolarHBondContact CB-O 3.49Å; W31-V58 HydrophobicContact CD2-CB 4.07Å; W31-V58 HydrophobicContact CD2-CG2 3.47Å; W31-V58 VanDerWaalsContact CD2-CG2 3.47Å; W31-V58 HydrophobicContact CE3-CG2 3.82Å; W31-V58 HydrophobicContact CG-CB 4.34Å; W31-V58 HydrophobicContact CG-CG2 3.87Å; W31-V58 HydrophobicContact CH2-CG2 4.29Å; W31-V58 HydrophobicContact CZ2-CB 3.99Å; W31-V58 HydrophobicContact CZ2-CG1 4.43Å; W31-V58 HydrophobicContact CZ2-CG2 3.97Å; W31-V58 HydrophobicContact CZ3-CG2 4.22Å
32N92.7Very high89.9Confident38 Ų3881.3 Ų81.320%0.20342%0.424CS..G310 helixtrans-61-24.3175.6-73.2-69.8000113D30 L34 K35 D55 L56D30-N32 PolarHBondContact O-N 2.76Å; D30-N32 VanDerWaalsContact OD1-CB 3.27Å; D30-N32 WeakPolarHBondContact OD1-CB 3.34Å; D30-N32 PolarHBondContact OD1-N 3.38Å; D30-N32 VanDerWaalsContact OD1-N 3.11Å; D30-N32 PolarHBondContact OD1-ND2 3.34Å; N32-L34 PolarHBondContact O-N 3.41Å; N32-K35 WeakPolarHBondContact O-CB 3.11Å; N32-K35 WeakPolarHBondContact O-CG 3.39Å; N32-K35 PolarHBondContact O-N 2.88Å; N32-K35 VanDerWaalsContact O-N 3.12Å; N32-K35 WeakPolarHBondContact OD1-CD 3.48Å; N32-K35 WeakPolarHBondContact OD1-CE 3.27Å; N32-K35 PolarHBondContact OD1-NZ 3.06Å; N32-D55 PolarHBondContact ND2-OD1 3.3Å; N32-D55 PolarHBondContact OD1-OD1 2.89Å; N32-L56 PolarHBondContact OD1-N 3.26Å; N32-L56 VanDerWaalsContact OD1-N 3.08Å
33R92.3Very high90.4Very high179 Ų17980.7 Ų80.768%0.67542%0.417SS*.G310 helixtrans-63.4-22.1174.9-64.6-179178.7178.1-1.4113.3D30 W31D30-R33 HydrophobicContact CB-CG 4.27Å; D30-R33 WeakPolarHBondContact O-CB 3.44Å; D30-R33 WeakPolarHBondContact O-CG 3.32Å; D30-R33 PolarHBondContact O-N 3.31Å; D30-R33 VanDerWaalsContact O-N 3.12Å; D30-R33 IonicContact OD2-NE 3.97Å; W31-R33 PolarHBondContact O-N 3.39Å; W31-R33 VanDerWaalsContact O-N 3.13Å
34L92.9Very high90.8Very high63 Ų6378.7 Ų78.733%0.3342%0.416SS..G310 helixtrans-84.7-15.4176.9-64.9176.9000113.1F29 W31 N32 T37 I38F29-L34 HydrophobicContact CE1-CD1 3.78Å; F29-L34 HydrophobicContact CE1-CG 3.82Å; F29-L34 HydrophobicContact CZ-CD1 4.32Å; F29-L34 HydrophobicContact CZ-CD2 4.26Å; F29-L34 HydrophobicContact CZ-CG 4.03Å; W31-L34 HydrophobicContact CE3-CD1 3.84Å; W31-L34 HydrophobicContact CZ3-CD1 4.09Å; W31-L34 WeakPolarHBondContact O-CB 3.37Å; W31-L34 PolarHBondContact O-N 3.39Å; N32-L34 PolarHBondContact O-N 3.41Å; L34-T37 PolarHBondContact O-N 2.72Å; L34-T37 VanDerWaalsContact O-N 3.12Å; L34-I38 HydrophobicContact CB-CD1 3.88Å; L34-I38 HydrophobicContact CB-CG1 4.35Å; L34-I38 WeakPolarHBondContact O-CG1 3.08Å; L34-I38 PolarHBondContact O-N 2.8Å
35K94.1Very high91.1Very high40 Ų4077.7 Ų77.717%0.17441%0.409CS..Hα-helixtrans-52.6-48.7-178.1-67-173.5-54.1-162.60112.7N32 T37 I38 N39 I52 G54 L56N32-K35 WeakPolarHBondContact O-CB 3.11Å; N32-K35 WeakPolarHBondContact O-CG 3.39Å; N32-K35 PolarHBondContact O-N 2.88Å; N32-K35 VanDerWaalsContact O-N 3.12Å; N32-K35 WeakPolarHBondContact OD1-CD 3.48Å; N32-K35 WeakPolarHBondContact OD1-CE 3.27Å; N32-K35 PolarHBondContact OD1-NZ 3.06Å; K35-T37 VanDerWaalsContact C-N 3.32Å; K35-T37 PolarHBondContact O-N 3.3Å; K35-I38 PolarHBondContact O-N 2.81Å; K35-N39 WeakPolarHBondContact O-CB 3.49Å; K35-N39 PolarHBondContact O-N 2.88Å; K35-N39 PolarHBondContact O-ND2 3.22Å; K35-N39 PolarHBondContact O-OD1 3.44Å; K35-I52 HydrophobicContact CD-CB 4.27Å; K35-I52 HydrophobicContact CD-CG2 3.91Å; K35-I52 HydrophobicContact CG-CB 4.37Å; K35-I52 HydrophobicContact CG-CG2 4.34Å; K35-G54 WeakPolarHBondContact CD-O 3.48Å; K35-G54 PolarHBondContact NZ-O 3.03Å; K35-L56 HydrophobicContact CD-CB 3.96Å; K35-L56 HydrophobicContact CG-CB 3.85Å; K35-L56 HydrophobicContact CG-CD2 3.88Å
36P94.9Very high91.4Very high86 Ų8674.4 Ų74.456%0.55839%0.392SS*.Hα-helixtrans-60.5-41179.8-22.934.6000112.9Q40P36-Q40 WeakPolarHBondContact O-CB 3.5Å; P36-Q40 PolarHBondContact O-N 2.76Å
37T94.8Very high91.8Very high65 Ų6574.6 Ų74.640%0.39939%0.394SS..Hα-helixtrans-68.8-42.5178.7-52.50000112L34 K35 K41L34-T37 PolarHBondContact O-N 2.72Å; L34-T37 VanDerWaalsContact O-N 3.12Å; K35-T37 VanDerWaalsContact C-N 3.32Å; K35-T37 PolarHBondContact O-N 3.3Å; T37-K41 HydrophobicContact CG2-CD 4.21Å; T37-K41 WeakPolarHBondContact O-CB 3.5Å; T37-K41 WeakPolarHBondContact O-CG 3.45Å; T37-K41 PolarHBondContact O-N 3.42Å
38I94.1Very high92.4Very high53 Ų5371.6 Ų71.627%0.27237%0.366SS..Hα-helixtrans-63-50175.5-66.2166.8000109.2L34 K35 Q40 K41 V42 F50 I52 L56L34-I38 HydrophobicContact CB-CD1 3.88Å; L34-I38 HydrophobicContact CB-CG1 4.35Å; L34-I38 WeakPolarHBondContact O-CG1 3.08Å; L34-I38 PolarHBondContact O-N 2.8Å; K35-I38 PolarHBondContact O-N 2.81Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; I38-Q40 PolarHBondContact O-N 2.82Å; I38-K41 PolarHBondContact O-N 2.95Å; I38-V42 HydrophobicContact CG2-CG2 3.96Å; I38-V42 WeakPolarHBondContact O-CB 3.36Å; I38-V42 VanDerWaalsContact O-CG2 3.27Å; I38-V42 WeakPolarHBondContact O-CG2 3.45Å; I38-V42 PolarHBondContact O-N 2.99Å; I38-F50 HydrophobicContact CG2-CE1 4.17Å; I38-I52 HydrophobicContact CG2-CD1 4.05Å; I38-L56 HydrophobicContact CD1-CD2 3.64Å
39N96.3Very high93Very high31 Ų3170.7 Ų70.717%0.16636%0.362CS..Hα-helixtrans-55.6-48.6179.6-67.2-6.6000111.3K35 S43 F50 I52K35-N39 WeakPolarHBondContact O-CB 3.49Å; K35-N39 PolarHBondContact O-N 2.88Å; K35-N39 PolarHBondContact O-ND2 3.22Å; K35-N39 PolarHBondContact O-OD1 3.44Å; N39-S43 WeakPolarHBondContact O-CB 3.45Å; N39-S43 PolarHBondContact O-N 3.02Å; N39-S43 PolarHBondContact O-OG 3.37Å; N39-F50 WeakPolarHBondContact CB-O 3.39Å; N39-I52 PolarHBondContact OD1-N 3.44Å
40Q95.7Very high93.3Very high145 Ų14568.7 Ų68.768%0.67835%0.353SS*.Hα-helixtrans-63.8-47.6178.4-173.2-178.39.700112.5P36 I38 S43 A44P36-Q40 WeakPolarHBondContact O-CB 3.5Å; P36-Q40 PolarHBondContact O-N 2.76Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; I38-Q40 PolarHBondContact O-N 2.82Å; Q40-S43 PolarHBondContact O-N 2.76Å; Q40-A44 WeakPolarHBondContact O-CB 3.21Å; Q40-A44 PolarHBondContact O-N 2.83Å
41K93.8Very high93.6Very high149 Ų14966.7 Ų66.765%0.64835%0.347SS*.Hα-helixtrans-67.9-44.6-177.3-75.3-174.1176.5-172.10112.6T37 I38 S43 A44 E45T37-K41 HydrophobicContact CG2-CD 4.21Å; T37-K41 WeakPolarHBondContact O-CB 3.5Å; T37-K41 WeakPolarHBondContact O-CG 3.45Å; T37-K41 PolarHBondContact O-N 3.42Å; I38-K41 PolarHBondContact O-N 2.95Å; K41-S43 VanDerWaalsContact C-N 3.34Å; K41-A44 PolarHBondContact O-N 3.33Å; K41-E45 WeakPolarHBondContact O-CB 3.32Å; K41-E45 PolarHBondContact O-N 3.31Å
42V93.6Very high93.9Very high42 Ų4264.3 Ų64.326%0.25534%0.339SS..Hα-helixtrans-66.5-40.4177.61770000110.1I38 A44 E45 L46 F50I38-V42 HydrophobicContact CG2-CG2 3.96Å; I38-V42 WeakPolarHBondContact O-CB 3.36Å; I38-V42 VanDerWaalsContact O-CG2 3.27Å; I38-V42 WeakPolarHBondContact O-CG2 3.45Å; I38-V42 PolarHBondContact O-N 2.99Å; V42-A44 VanDerWaalsContact C-N 3.34Å; V42-A44 PolarHBondContact O-N 2.75Å; V42-E45 PolarHBondContact O-N 3.45Å; V42-L46 HydrophobicContact CG1-CD1 3.56Å; V42-L46 HydrophobicContact CG1-CG 4.07Å; V42-L46 WeakPolarHBondContact O-CB 3.5Å; V42-L46 WeakPolarHBondContact O-CG 3.26Å; V42-L46 PolarHBondContact O-N 3.25Å; V42-F50 HydrophobicContact CB-CB 4.31Å; V42-F50 HydrophobicContact CB-CD1 3.57Å; V42-F50 HydrophobicContact CB-CE1 4.04Å; V42-F50 HydrophobicContact CB-CG 3.97Å; V42-F50 HydrophobicContact CG1-CB 3.83Å; V42-F50 HydrophobicContact CG1-CD1 3.53Å; V42-F50 HydrophobicContact CG1-CD2 3.81Å; V42-F50 HydrophobicContact CG1-CE1 4Å; V42-F50 HydrophobicContact CG1-CE2 4.22Å; V42-F50 HydrophobicContact CG1-CG 3.42Å; V42-F50 VanDerWaalsContact CG1-CG 3.42Å; V42-F50 HydrophobicContact CG1-CZ 4.32Å; V42-F50 HydrophobicContact CG2-CD1 4.23Å; V42-F50 HydrophobicContact CG2-CE1 4.19Å
43S94.3Very high94Very high29 Ų2969.2 Ų69.220%0.20335%0.354CS..Hα-helixtrans-63-41.8176.8-600000112.6N39 Q40 K41 N47 R48 F50N39-S43 WeakPolarHBondContact O-CB 3.45Å; N39-S43 PolarHBondContact O-N 3.02Å; N39-S43 PolarHBondContact O-OG 3.37Å; Q40-S43 PolarHBondContact O-N 2.76Å; K41-S43 VanDerWaalsContact C-N 3.34Å; S43-N47 WeakPolarHBondContact O-CA 3.06Å; S43-N47 PolarHBondContact O-N 2.56Å; S43-R48 WeakPolarHBondContact CA-O 3.38Å; S43-R48 VanDerWaalsContact CB-O 3.22Å; S43-R48 WeakPolarHBondContact CB-O 3.18Å; S43-R48 PolarHBondContact O-N 3.46Å; S43-R48 VanDerWaalsContact O-N 3.12Å; S43-R48 PolarHBondContact OG-O 2.85Å; S43-F50 PolarHBondContact OG-N 3.44Å; S43-F50 PolarHBondContact OG-O 3.24Å
44A92.2Very high94.1Very high61 Ų6161.6 Ų61.650%0.50433%0.331SS..Hα-helixtrans-66-44177.200000111.9Q40 K41 V42 N47Q40-A44 WeakPolarHBondContact O-CB 3.21Å; Q40-A44 PolarHBondContact O-N 2.83Å; K41-A44 PolarHBondContact O-N 3.33Å; V42-A44 VanDerWaalsContact C-N 3.34Å; V42-A44 PolarHBondContact O-N 2.75Å; A44-N47 PolarHBondContact O-N 2.9Å; A44-N47 PolarHBondContact O-OD1 2.92Å
45E90.7Very high94.2Very high75 Ų7561.6 Ų61.635%0.3533%0.332SS..Hα-helixtrans-70-39.2-178.9-169.264.4-15000112.4K41 V42 N47 L144 A145 N146K41-E45 WeakPolarHBondContact O-CB 3.32Å; K41-E45 PolarHBondContact O-N 3.31Å; V42-E45 PolarHBondContact O-N 3.45Å; E45-N47 VanDerWaalsContact C-N 3.32Å; E45-L144 WeakPolarHBondContact O-CA 3.39Å; E45-A145 PolarHBondContact O-N 2.93Å; E45-N146 PolarHBondContact OE1-ND2 3.17Å
46L91.9Very high94.3Very high39 Ų3960.2 Ų60.220%0.20433%0.326CS..Hα-helixtrans-83.7-5.6179.3-62.1-178.1000113.6V42 R48 L85 F142 L144V42-L46 HydrophobicContact CG1-CD1 3.56Å; V42-L46 HydrophobicContact CG1-CG 4.07Å; V42-L46 WeakPolarHBondContact O-CB 3.5Å; V42-L46 WeakPolarHBondContact O-CG 3.26Å; V42-L46 PolarHBondContact O-N 3.25Å; L46-R48 HydrophobicContact CB-CB 4.34Å; L46-R48 WeakPolarHBondContact O-CG 3.47Å; L46-R48 PolarHBondContact O-N 3.34Å; L46-L85 HydrophobicContact CD1-CD1 3.81Å; L46-F142 HydrophobicContact CD2-CD1 4.13Å; L46-F142 HydrophobicContact CD2-CE1 4.41Å; L46-L144 HydrophobicContact CD2-CD2 3.74Å
47N91.2Very high94.2Very high79 Ų7956.6 Ų56.642%0.42230%0.304SS..THydrogen-bonded Turntrans50.934.9-171.2-72.5-47.5000113.7S43 A44 E45 N143S43-N47 WeakPolarHBondContact O-CA 3.06Å; S43-N47 PolarHBondContact O-N 2.56Å; A44-N47 PolarHBondContact O-N 2.9Å; A44-N47 PolarHBondContact O-OD1 2.92Å; E45-N47 VanDerWaalsContact C-N 3.32Å; N47-N143 PolarHBondContact ND2-O 3.3Å
48R92.5Very high94.1Very high13 Ų1354.7 Ų54.75%0.04929%0.292CS..SBendtrans-146.9149.3-172-73.3165.5-177.8-119.85.8111S43 L46 F50 L85 M96 N139 T141S43-R48 WeakPolarHBondContact CA-O 3.38Å; S43-R48 VanDerWaalsContact CB-O 3.22Å; S43-R48 WeakPolarHBondContact CB-O 3.18Å; S43-R48 PolarHBondContact O-N 3.46Å; S43-R48 VanDerWaalsContact O-N 3.12Å; S43-R48 PolarHBondContact OG-O 2.85Å; L46-R48 HydrophobicContact CB-CB 4.34Å; L46-R48 WeakPolarHBondContact O-CG 3.47Å; L46-R48 PolarHBondContact O-N 3.34Å; R48-F50 PolarHBondContact O-N 2.8Å; R48-L85 HydrophobicContact CB-CD1 4.2Å; R48-M96 PolarHBondContact NH1-SD 3.45Å; R48-N139 PolarHBondContact NH1-O 3.24Å; R48-N139 PolarHBondContact NH2-O 3.39Å; R48-T141 PolarHBondContact NH2-O 3.08Å
49P94.2Very high93.9Very high85 Ų8555.3 Ų55.355%0.55230%0.299SS*.  trans-60.2123.6173.1-20.932.4000111G86P49-G86 PolarHBondContact O-N 3.24Å
50F96.1Very high93.5Very high36 Ų3658.7 Ų58.716%0.15831%0.309CS..EExtended strand (participates in β ladder)trans-130.8132.2173174.3-89.3000109.9I38 N39 V42 S43 R48 I52 I83 I84 L85I38-F50 HydrophobicContact CG2-CE1 4.17Å; N39-F50 WeakPolarHBondContact CB-O 3.39Å; V42-F50 HydrophobicContact CB-CB 4.31Å; V42-F50 HydrophobicContact CB-CD1 3.57Å; V42-F50 HydrophobicContact CB-CE1 4.04Å; V42-F50 HydrophobicContact CB-CG 3.97Å; V42-F50 HydrophobicContact CG1-CB 3.83Å; V42-F50 HydrophobicContact CG1-CD1 3.53Å; V42-F50 HydrophobicContact CG1-CD2 3.81Å; V42-F50 HydrophobicContact CG1-CE1 4Å; V42-F50 HydrophobicContact CG1-CE2 4.22Å; V42-F50 HydrophobicContact CG1-CG 3.42Å; V42-F50 VanDerWaalsContact CG1-CG 3.42Å; V42-F50 HydrophobicContact CG1-CZ 4.32Å; V42-F50 HydrophobicContact CG2-CD1 4.23Å; V42-F50 HydrophobicContact CG2-CE1 4.19Å; S43-F50 PolarHBondContact OG-N 3.44Å; S43-F50 PolarHBondContact OG-O 3.24Å; R48-F50 PolarHBondContact O-N 2.8Å; F50-I52 HydrophobicContact CE1-CD1 4.35Å; F50-I52 HydrophobicContact CE1-CG1 3.89Å; F50-I52 HydrophobicContact CZ-CD1 4.49Å; F50-I52 HydrophobicContact CZ-CG1 3.97Å; F50-I83 HydrophobicContact CD2-CG2 4.27Å; F50-I83 HydrophobicContact CE2-CG2 3.37Å; F50-I83 HydrophobicContact CZ-CG2 3.64Å; F50-I84 WeakPolarHBondContact CA-O 3.35Å; F50-L85 HydrophobicContact CB-CD1 4.45Å; F50-L85 HydrophobicContact CD2-CD1 4.36Å
51A96.5Very high93Very high30 Ų3056.7 Ų56.725%0.24830%0.3CS..EExtended strand (participates in β ladder)trans-145.2127.4179.200000112.3R53 I83 I84A51-R53 HydrophobicContact CB-CG 4.08Å; A51-I83 WeakPolarHBondContact O-CA 3.29Å; A51-I84 PolarHBondContact N-O 3.46Å; A51-I84 PolarHBondContact O-N 2.84Å
52I96.6Very high92.6Very high12 Ų1257.1 Ų57.16%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-85.6108.4156.8-53.8171.1000106.7K35 I38 N39 F50 L56 A80 I83K35-I52 HydrophobicContact CD-CB 4.27Å; K35-I52 HydrophobicContact CD-CG2 3.91Å; K35-I52 HydrophobicContact CG-CB 4.37Å; K35-I52 HydrophobicContact CG-CG2 4.34Å; I38-I52 HydrophobicContact CG2-CD1 4.05Å; N39-I52 PolarHBondContact OD1-N 3.44Å; F50-I52 HydrophobicContact CE1-CD1 4.35Å; F50-I52 HydrophobicContact CE1-CG1 3.89Å; F50-I52 HydrophobicContact CZ-CD1 4.49Å; F50-I52 HydrophobicContact CZ-CG1 3.97Å; I52-L56 HydrophobicContact CD1-CD1 4.43Å; I52-L56 HydrophobicContact CD1-CD2 4.4Å; I52-L56 HydrophobicContact CG2-CB 4.44Å; I52-A80 HydrophobicContact CD1-CB 4.46Å; I52-A80 HydrophobicContact CG2-CB 4.28Å; I52-I83 HydrophobicContact CG1-CG1 4.35Å
53R95.3Very high91.9Very high141 Ų14156.8 Ų56.853%0.53229%0.293SS..  trans-94.9-30.8-178.1-59.2-170.3-56.5-175.50.8112.3A51 D82 I84A51-R53 HydrophobicContact CB-CG 4.08Å; R53-D82 HydrophobicContact CB-CB 4.3Å; R53-D82 WeakPolarHBondContact CB-O 3.47Å; R53-D82 VanDerWaalsContact CB-OD2 3.31Å; R53-D82 WeakPolarHBondContact CB-OD2 3.17Å; R53-D82 IonicContact CZ-OD1 3.59Å; R53-D82 IonicContact CZ-OD2 2.76Å; R53-D82 PolarHBondContact N-O 2.87Å; R53-D82 IonicContact NE-OD1 3.56Å; R53-D82 IonicContact NE-OD2 2.76Å; R53-D82 PolarHBondContact NE-OD2 2.81Å; R53-D82 IonicContact NH2-OD1 3.04Å; R53-D82 PolarHBondContact NH2-OD1 3.06Å; R53-D82 IonicContact NH2-OD2 3.16Å; R53-D82 PolarHBondContact NH2-OD2 2.89Å; R53-I84 VanDerWaalsContact NH2-CD1 3.31Å
54G95Very high90.9Very high19 Ų1965.2 Ų65.220%0.19633%0.326CS..SBendtrans-83.5-161.9178.500000113.4K35 E81K35-G54 WeakPolarHBondContact CD-O 3.48Å; K35-G54 PolarHBondContact NZ-O 3.03Å; G54-E81 WeakPolarHBondContact CA-O 3.42Å; G54-E81 PolarHBondContact N-O 2.78Å
55D95.5Very high90.1Very high63 Ų6370.7 Ų70.734%0.33734%0.341SS..  trans-68.4140176.9-172.650.4000111.3N32 H79 A80 E81N32-D55 PolarHBondContact ND2-OD1 3.3Å; N32-D55 PolarHBondContact OD1-OD1 2.89Å; D55-H79 IonicContact OD2-CD2 3.74Å; D55-H79 IonicContact OD2-CE1 3.92Å; D55-H79 IonicContact OD2-NE2 2.88Å; D55-H79 PolarHBondContact OD2-NE2 2.74Å; D55-A80 CarbonylContact O-C 3.56Å; D55-A80 WeakPolarHBondContact O-CA 3.47Å; D55-E81 PolarHBondContact O-N 3.45Å
56L95.1Very high89.3Confident12 Ų1269.7 Ų69.76%0.06334%0.337CS..EExtended strand (participates in β ladder)trans-119.6120.6168.1173.165.9000107.1W31 N32 K35 I38 I52 V78 H79 A80W31-L56 HydrophobicContact CB-CG 4.3Å; W31-L56 VanDerWaalsContact CB-O 3.31Å; W31-L56 WeakPolarHBondContact CB-O 3.49Å; N32-L56 PolarHBondContact OD1-N 3.26Å; N32-L56 VanDerWaalsContact OD1-N 3.08Å; K35-L56 HydrophobicContact CD-CB 3.96Å; K35-L56 HydrophobicContact CG-CB 3.85Å; K35-L56 HydrophobicContact CG-CD2 3.88Å; I38-L56 HydrophobicContact CD1-CD2 3.64Å; I52-L56 HydrophobicContact CD1-CD1 4.43Å; I52-L56 HydrophobicContact CD1-CD2 4.4Å; I52-L56 HydrophobicContact CG2-CB 4.44Å; L56-V78 HydrophobicContact CD1-CG1 4.03Å; L56-H79 WeakPolarHBondContact CA-O 3.28Å; L56-A80 HydrophobicContact CD1-CB 3.93Å
57G93.3Very high88.6Confident9 Ų973.3 Ų73.39%0.09336%0.361CS..EExtended strand (participates in β ladder)trans-140.9163.8-179.400000113.2V78 H79G57-V78 WeakPolarHBondContact O-CA 3.27Å; G57-H79 VanDerWaalsContact CA-CE1 3.42Å; G57-H79 WeakPolarHBondContact CA-CE1 3.46Å; G57-H79 PolarHBondContact N-O 3.25Å; G57-H79 PolarHBondContact O-N 2.97Å
58V92.2Very high88.2Confident25 Ų2572.3 Ų72.315%0.15237%0.368CS..EExtended strand (participates in β ladder)trans-134122.5176.6-1760000109.1W31 W60 P76 H77 V78W31-V58 HydrophobicContact CD2-CB 4.07Å; W31-V58 HydrophobicContact CD2-CG2 3.47Å; W31-V58 VanDerWaalsContact CD2-CG2 3.47Å; W31-V58 HydrophobicContact CE3-CG2 3.82Å; W31-V58 HydrophobicContact CG-CB 4.34Å; W31-V58 HydrophobicContact CG-CG2 3.87Å; W31-V58 HydrophobicContact CH2-CG2 4.29Å; W31-V58 HydrophobicContact CZ2-CB 3.99Å; W31-V58 HydrophobicContact CZ2-CG1 4.43Å; W31-V58 HydrophobicContact CZ2-CG2 3.97Å; W31-V58 HydrophobicContact CZ3-CG2 4.22Å; V58-W60 HydrophobicContact CG1-CZ2 4.46Å; V58-P76 HydrophobicContact CG1-CB 3.54Å; V58-H77 CarbonylContact C-O 3.6Å; V58-H77 VanDerWaalsContact CA-O 3.3Å; V58-H77 WeakPolarHBondContact CA-O 2.91Å; V58-V78 HydrophobicContact CG2-CG1 4.45Å; V58-V78 HydrophobicContact CG2-CG2 4.13Å
59V89.6Confident87.7Confident67 Ų6779.6 Ų79.641%0.40640%0.396SS..EExtended strand (participates in β ladder)trans-107.9125.1174.3-172.20000108.9E61 H77V59-E61 HydrophobicContact CG1-CG 3.76Å; V59-H77 HydrophobicContact CB-CB 4.48Å; V59-H77 PolarHBondContact N-O 2.93Å; V59-H77 WeakPolarHBondContact O-CB 3.43Å; V59-H77 PolarHBondContact O-N 2.83Å; V59-H77 PolarHBondContact O-ND1 3.4Å
60W87.9Confident87Confident101 Ų10181.7 Ų81.738%0.38339%0.393SS..EExtended strand (participates in β ladder)trans-93.9110.8-179.6-67.888.1000109.7I26 V58 P74 P76I26-W60 HydrophobicContact CG2-CZ2 3.6Å; V58-W60 HydrophobicContact CG1-CZ2 4.46Å; W60-P74 HydrophobicContact CB-CB 4.2Å; W60-P74 HydrophobicContact CE3-CB 4.38Å; W60-P74 HydrophobicContact CE3-CG 4.33Å; W60-P76 HydrophobicContact CD2-CB 4.08Å; W60-P76 HydrophobicContact CE3-CB 3.9Å; W60-P76 HydrophobicContact CE3-CG 4.31Å; W60-P76 HydrophobicContact CH2-CB 3.72Å; W60-P76 HydrophobicContact CH2-CG 3.84Å; W60-P76 HydrophobicContact CZ2-CB 3.87Å; W60-P76 HydrophobicContact CZ2-CG 4.47Å; W60-P76 HydrophobicContact CZ3-CB 3.74Å; W60-P76 VanDerWaalsContact CZ3-CD 3.46Å; W60-P76 HydrophobicContact CZ3-CG 3.76Å
61E86.3Confident86.2Confident104 Ų10481.6 Ų81.649%0.48640%0.397SS..EExtended strand (participates in β ladder)trans-128.3148.7-177.9-50.7-170.7162.500111.8V59 P74 W75V59-E61 HydrophobicContact CG1-CG 3.76Å; E61-P74 CarbonylContact O-C 3.59Å; E61-P74 WeakPolarHBondContact O-CA 3.33Å; E61-W75 PolarHBondContact N-O 3.02Å; E61-W75 PolarHBondContact O-N 3.16Å
62R83.7Confident85.5Confident158 Ų15889 Ų8960%0.59642%0.419SS*.EExtended strand (participates in β ladder)trans-79.5129.3176.8-66.9-175.5-176.7168.72.1110.3K64R62-K64 PolarHBondContact O-N 3.15Å
63Q79.4Confident84.9Confident34 Ų3490 Ų9016%0.15943%0.426CS..  trans-78.1110.4174.7-65.7-59.8-21.400110.4Q65 E66 W75 H77Q63-Q65 PolarHBondContact O-N 3.3Å; Q63-E66 HydrophobicContact CB-CG 4.07Å; Q63-E66 PolarHBondContact O-N 3.05Å; Q63-W75 HydrophobicContact CG-CB 3.92Å; Q63-W75 HydrophobicContact CG-CD2 3.62Å; Q63-W75 HydrophobicContact CG-CE3 4.32Å; Q63-W75 HydrophobicContact CG-CG 3.44Å; Q63-W75 VanDerWaalsContact CG-CG 3.44Å; Q63-H77 PolarHBondContact NE2-CE1 3.23Å; Q63-H77 PolarHBondContact NE2-NE2 2.88Å
64K74.4Confident84.5Confident206 Ų20685.8 Ų85.890%0.89642%0.416SS*.THydrogen-bonded Turntrans-65.3-18.8179.5-64.8-179.1-177.8174.80113.5R62R62-K64 PolarHBondContact O-N 3.15Å
65Q73.9Confident84.3Confident177 Ų17785.8 Ų85.883%0.82741%0.41SS*.THydrogen-bonded Turntrans-82.9-18.9-178-65173.2-8.700113.1Q63Q63-Q65 PolarHBondContact O-N 3.3Å
66E74.5Confident84.1Confident54 Ų5483.3 Ų83.325%0.25240%0.398SS..  trans-72.3148.2176.3-77.6-67.9154.400111.2Q63 R70 S71 W75Q63-E66 HydrophobicContact CB-CG 4.07Å; Q63-E66 PolarHBondContact O-N 3.05Å; E66-R70 HydrophobicContact CB-CB 4.35Å; E66-S71 WeakPolarHBondContact O-CB 3.09Å; E66-W75 HydrophobicContact CG-CZ2 4.12Å; E66-W75 WeakPolarHBondContact OE1-CZ2 3.47Å
67T77.2Confident83.9Confident115 Ų11584 Ų8471%0.70640%0.401SS*.  trans-114.8151.8-177.9580000111.8
68G82.7Confident83.9Confident57 Ų5785.4 Ų85.459%0.58841%0.407SS*.G310 helixtrans67-150.7-177.200000113.6R70 S71G68-R70 PolarHBondContact O-N 3.4Å; G68-S71 PolarHBondContact O-N 3.44Å; G68-S71 PolarHBondContact O-OG 3.07Å
69W82.2Confident84.1Confident167 Ų16785.7 Ų85.763%0.63341%0.407SS*.G310 helixtrans-62.9-21.4-176.871.5-93000113.7S71 W72 V73 L109W69-S71 VanDerWaalsContact C-N 3.26Å; W69-S71 PolarHBondContact O-N 3.25Å; W69-W72 WeakPolarHBondContact O-CB 3.33Å; W69-W72 PolarHBondContact O-N 3.13Å; W69-W72 VanDerWaalsContact O-N 3.14Å; W69-V73 HydrophobicContact CE3-CG2 4.15Å; W69-V73 HydrophobicContact CZ3-CG2 3.87Å; W69-L109 HydrophobicContact CH2-CD1 3.87Å; W69-L109 HydrophobicContact CH2-CD2 4.22Å; W69-L109 HydrophobicContact CZ3-CD1 4.23Å; W69-L109 HydrophobicContact CZ3-CD2 4.49Å
70R79.3Confident84.4Confident128 Ų12883 Ų8348%0.48339%0.391SS..G310 helixtrans-65.1-28.4178.2-65.9-175.5-179.7132.5-0.9113E66 G68 W72 V73 L109E66-R70 HydrophobicContact CB-CB 4.35Å; G68-R70 PolarHBondContact O-N 3.4Å; R70-W72 PolarHBondContact O-N 3.42Å; R70-V73 WeakPolarHBondContact O-CB 3.12Å; R70-V73 PolarHBondContact O-N 3.2Å; R70-V73 VanDerWaalsContact O-N 3.09Å; R70-L109 HydrophobicContact CG-CD1 3.98Å
71S79.8Confident84.8Confident35 Ų3581.2 Ų81.225%0.24539%0.387CS..G310 helixtrans-62.9-19.6174.465.80000113.8E66 G68 W69E66-S71 WeakPolarHBondContact O-CB 3.09Å; G68-S71 PolarHBondContact O-N 3.44Å; G68-S71 PolarHBondContact O-OG 3.07Å; W69-S71 VanDerWaalsContact C-N 3.26Å; W69-S71 PolarHBondContact O-N 3.25Å
72W81.6Confident85.3Confident184 Ų18478.3 Ų78.370%0.69738%0.375SS*.G310 helixtrans-83.4-17.6177.3-70.760.4000112.8W69 R70 P74W69-W72 WeakPolarHBondContact O-CB 3.33Å; W69-W72 PolarHBondContact O-N 3.13Å; W69-W72 VanDerWaalsContact O-N 3.14Å; R70-W72 PolarHBondContact O-N 3.42Å; W72-P74 WeakPolarHBondContact O-CD 3.28Å
73V83.8Confident86Confident35 Ų3571.6 Ų71.621%0.21235%0.351CS..SBendtrans-80.7116.4179.3-176.10000108.3W69 R70 W75 P108W69-V73 HydrophobicContact CE3-CG2 4.15Å; W69-V73 HydrophobicContact CZ3-CG2 3.87Å; R70-V73 WeakPolarHBondContact O-CB 3.12Å; R70-V73 PolarHBondContact O-N 3.2Å; R70-V73 VanDerWaalsContact O-N 3.09Å; V73-W75 VanDerWaalsContact O-CD1 3.31Å; V73-P108 HydrophobicContact CG1-CG 3.86Å
74P87.3Confident86.8Confident52 Ų5271.2 Ų71.234%0.33835%0.35SS..EExtended strand (participates in β ladder)trans-70.8138.7174.630.2-33.4000110.1W60 E61 W72W60-P74 HydrophobicContact CB-CB 4.2Å; W60-P74 HydrophobicContact CE3-CB 4.38Å; W60-P74 HydrophobicContact CE3-CG 4.33Å; E61-P74 CarbonylContact O-C 3.59Å; E61-P74 WeakPolarHBondContact O-CA 3.33Å; W72-P74 WeakPolarHBondContact O-CD 3.28Å
75W90Very high87.8Confident18 Ų1862.6 Ų62.67%0.06831%0.313CS..EExtended strand (participates in β ladder)trans-96.7137.2175.4-70.646.8000109.2E61 Q63 E66 V73 H77 T105 A107 P108 W117 P119E61-W75 PolarHBondContact N-O 3.02Å; E61-W75 PolarHBondContact O-N 3.16Å; Q63-W75 HydrophobicContact CG-CB 3.92Å; Q63-W75 HydrophobicContact CG-CD2 3.62Å; Q63-W75 HydrophobicContact CG-CE3 4.32Å; Q63-W75 HydrophobicContact CG-CG 3.44Å; Q63-W75 VanDerWaalsContact CG-CG 3.44Å; E66-W75 HydrophobicContact CG-CZ2 4.12Å; E66-W75 WeakPolarHBondContact OE1-CZ2 3.47Å; V73-W75 VanDerWaalsContact O-CD1 3.31Å; W75-H77 PolarHBondContact O-N 3.44Å; W75-H77 PolarHBondContact O-ND1 3.21Å; W75-T105 HydrophobicContact CB-CG2 4.08Å; W75-T105 HydrophobicContact CD2-CG2 4.43Å; W75-T105 HydrophobicContact CE3-CG2 3.63Å; W75-T105 HydrophobicContact CZ3-CG2 4.43Å; W75-A107 VanDerWaalsContact CE3-CA 3.46Å; W75-A107 HydrophobicContact CE3-CB 4Å; W75-A107 HydrophobicContact CH2-CB 3.44Å; W75-A107 VanDerWaalsContact CH2-CB 3.44Å; W75-A107 HydrophobicContact CZ2-CB 4.22Å; W75-A107 HydrophobicContact CZ3-CB 3.27Å; W75-P108 HydrophobicContact CG-CG 4.5Å; W75-W117 HydrophobicContact CH2-CE3 4.45Å; W75-W117 HydrophobicContact CH2-CH2 4.17Å; W75-W117 AromaticContact CH2-CZ3 3.99Å; W75-W117 HydrophobicContact CH2-CZ3 3.99Å; W75-P119 HydrophobicContact CE3-CG 4.26Å; W75-P119 HydrophobicContact CH2-CG 4.01Å; W75-P119 HydrophobicContact CZ3-CG 3.33Å
76P91.7Very high88.9Confident11 Ų1154.2 Ų54.27%0.07127%0.274CS..EExtended strand (participates in β ladder)trans-75.1120173.829.5-31.6000110.2V58 W60 L106V58-P76 HydrophobicContact CG1-CB 3.54Å; W60-P76 HydrophobicContact CD2-CB 4.08Å; W60-P76 HydrophobicContact CE3-CB 3.9Å; W60-P76 HydrophobicContact CE3-CG 4.31Å; W60-P76 HydrophobicContact CH2-CB 3.72Å; W60-P76 HydrophobicContact CH2-CG 3.84Å; W60-P76 HydrophobicContact CZ2-CB 3.87Å; W60-P76 HydrophobicContact CZ2-CG 4.47Å; W60-P76 HydrophobicContact CZ3-CB 3.74Å; W60-P76 VanDerWaalsContact CZ3-CD 3.46Å; W60-P76 HydrophobicContact CZ3-CG 3.76Å; P76-L106 WeakPolarHBondContact CD-O 3.36Å; P76-L106 HydrophobicContact CG-CB 4.04Å; P76-L106 HydrophobicContact CG-CD1 4.44Å; P76-L106 PolarHBondContact O-N 3.45Å; P76-L106 VanDerWaalsContact O-N 3.09Å
77H91.7Very high89.8Confident28 Ų2852 Ų5213%0.1326%0.264CS..EExtended strand (participates in β ladder)trans-96.9107.9169.3-60.969.2000107.1V58 V59 Q63 W75 A104 T105 W120V58-H77 CarbonylContact C-O 3.6Å; V58-H77 VanDerWaalsContact CA-O 3.3Å; V58-H77 WeakPolarHBondContact CA-O 2.91Å; V59-H77 HydrophobicContact CB-CB 4.48Å; V59-H77 PolarHBondContact N-O 2.93Å; V59-H77 WeakPolarHBondContact O-CB 3.43Å; V59-H77 PolarHBondContact O-N 2.83Å; V59-H77 PolarHBondContact O-ND1 3.4Å; Q63-H77 PolarHBondContact NE2-CE1 3.23Å; Q63-H77 PolarHBondContact NE2-NE2 2.88Å; W75-H77 PolarHBondContact O-N 3.44Å; W75-H77 PolarHBondContact O-ND1 3.21Å; H77-A104 CarbonylContact C-O 3.6Å; H77-T105 PolarHBondContact CD2-OG1 2.58Å; H77-T105 PolarHBondContact NE2-OG1 3.49Å; H77-W120 AromaticContact CD2-CZ2 3.81Å
78V93.7Very high90.5Very high37 Ų3747.5 Ų47.522%0.22424%0.237CC..EExtended strand (participates in β ladder)trans-90.8129.2179.5-173.10000108.2L56 G57 V58 E103 A104 L106L56-V78 HydrophobicContact CD1-CG1 4.03Å; G57-V78 WeakPolarHBondContact O-CA 3.27Å; V58-V78 HydrophobicContact CG2-CG1 4.45Å; V58-V78 HydrophobicContact CG2-CG2 4.13Å; V78-E103 CarbonylContact O-C 3.57Å; V78-E103 WeakPolarHBondContact O-CA 3.44Å; V78-A104 PolarHBondContact N-O 3.12Å; V78-A104 PolarHBondContact O-N 3.4Å; V78-L106 HydrophobicContact CG2-CD1 3.75Å
79H95Very high90.7Very high32 Ų3250.4 Ų50.415%0.14825%0.245CC..EExtended strand (participates in β ladder)trans-118.3140.5166.868-92.9000109.8D55 L56 G57 V102 E103D55-H79 IonicContact OD2-CD2 3.74Å; D55-H79 IonicContact OD2-CE1 3.92Å; D55-H79 IonicContact OD2-NE2 2.88Å; D55-H79 PolarHBondContact OD2-NE2 2.74Å; L56-H79 WeakPolarHBondContact CA-O 3.28Å; G57-H79 VanDerWaalsContact CA-CE1 3.42Å; G57-H79 WeakPolarHBondContact CA-CE1 3.46Å; G57-H79 PolarHBondContact N-O 3.25Å; G57-H79 PolarHBondContact O-N 2.97Å; H79-V102 CarbonylContact C-O 3.56Å; H79-V102 VanDerWaalsContact CA-O 3.26Å; H79-V102 WeakPolarHBondContact CA-O 3.38Å; H79-E103 HydrophobicContact CB-CG 4.18Å
80A96.4Very high91Very high9 Ų948.3 Ų48.37%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-138.2130.2176.800000109.4I52 D55 L56 I83 R101 V102I52-A80 HydrophobicContact CD1-CB 4.46Å; I52-A80 HydrophobicContact CG2-CB 4.28Å; D55-A80 CarbonylContact O-C 3.56Å; D55-A80 WeakPolarHBondContact O-CA 3.47Å; L56-A80 HydrophobicContact CD1-CB 3.93Å; A80-I83 HydrophobicContact CB-CD1 3.69Å; A80-I83 HydrophobicContact CB-CG1 4.19Å; A80-R101 CarbonylContact O-C 3.59Å; A80-R101 WeakPolarHBondContact O-CA 3.39Å; A80-V102 PolarHBondContact N-O 3.07Å; A80-V102 PolarHBondContact O-N 3.49Å
81E97Very high91.6Very high65 Ų6542.5 Ų42.530%0.30423%0.225SC..EExtended strand (participates in β ladder)trans-109150.6-176.8-61.5-177.3167.700111.9G54 D55 I83 P100 R101G54-E81 WeakPolarHBondContact CA-O 3.42Å; G54-E81 PolarHBondContact N-O 2.78Å; D55-E81 PolarHBondContact O-N 3.45Å; E81-I83 PolarHBondContact O-N 2.81Å; E81-P100 CarbonylContact C-O 3.55Å; E81-P100 WeakPolarHBondContact CA-O 3.4Å; E81-R101 HydrophobicContact CG-CG 4.24Å; E81-R101 IonicContact OE1-CZ 3.72Å; E81-R101 IonicContact OE1-NH1 2.84Å; E81-R101 PolarHBondContact OE1-NH1 2.96Å
82D96.9Very high91.8Very high43 Ų4345.8 Ų45.823%0.2325%0.246CC..EExtended strand (participates in β ladder)trans48.760.3176.6-169.830.4000112.9R53 H98 P100R53-D82 HydrophobicContact CB-CB 4.3Å; R53-D82 WeakPolarHBondContact CB-O 3.47Å; R53-D82 VanDerWaalsContact CB-OD2 3.31Å; R53-D82 WeakPolarHBondContact CB-OD2 3.17Å; R53-D82 IonicContact CZ-OD1 3.59Å; R53-D82 IonicContact CZ-OD2 2.76Å; R53-D82 PolarHBondContact N-O 2.87Å; R53-D82 IonicContact NE-OD1 3.56Å; R53-D82 IonicContact NE-OD2 2.76Å; R53-D82 PolarHBondContact NE-OD2 2.81Å; R53-D82 IonicContact NH2-OD1 3.04Å; R53-D82 PolarHBondContact NH2-OD1 3.06Å; R53-D82 IonicContact NH2-OD2 3.16Å; R53-D82 PolarHBondContact NH2-OD2 2.89Å; D82-H98 IonicContact OD1-CD2 2.94Å; D82-H98 IonicContact OD1-CE1 2.98Å; D82-H98 IonicContact OD1-NE2 3.19Å; D82-H98 PolarHBondContact OD1-NE2 3.03Å; D82-P100 PolarHBondContact N-O 3.28Å
83I96.6Very high92Very high16 Ų1640.7 Ų40.78%0.08223%0.229CC..EExtended strand (participates in β ladder)trans-87.4128.9177.6-48.6-178.4000109.2F50 A51 I52 A80 E81 H98 L99 V102F50-I83 HydrophobicContact CD2-CG2 4.27Å; F50-I83 HydrophobicContact CE2-CG2 3.37Å; F50-I83 HydrophobicContact CZ-CG2 3.64Å; A51-I83 WeakPolarHBondContact O-CA 3.29Å; I52-I83 HydrophobicContact CG1-CG1 4.35Å; A80-I83 HydrophobicContact CB-CD1 3.69Å; A80-I83 HydrophobicContact CB-CG1 4.19Å; E81-I83 PolarHBondContact O-N 2.81Å; I83-H98 WeakPolarHBondContact O-CA 3.32Å; I83-H98 PolarHBondContact O-CD2 2.96Å; I83-L99 HydrophobicContact CB-CB 4.17Å; I83-L99 PolarHBondContact N-O 2.88Å; I83-L99 PolarHBondContact O-N 3.5Å; I83-V102 HydrophobicContact CD1-CB 3.87Å; I83-V102 HydrophobicContact CD1-CG2 3.53Å
84I96.6Very high92Very high27 Ų2744.6 Ų44.614%0.13825%0.253CS..EExtended strand (participates in β ladder)trans-118.7131.4172.9-67.9-172.3000109.8F50 A51 R53 T95 V97F50-I84 WeakPolarHBondContact CA-O 3.35Å; A51-I84 PolarHBondContact N-O 3.46Å; A51-I84 PolarHBondContact O-N 2.84Å; R53-I84 VanDerWaalsContact NH2-CD1 3.31Å; I84-T95 HydrophobicContact CG2-CG2 4.19Å; I84-V97 WeakPolarHBondContact CA-O 3.44Å
85L96.4Very high92.3Very high25 Ų2543.8 Ų43.813%0.13125%0.247CC..EExtended strand (participates in β ladder)trans-110.3127162.2178.363.9000108.8L46 R48 F50 M96 V97 F142L46-L85 HydrophobicContact CD1-CD1 3.81Å; R48-L85 HydrophobicContact CB-CD1 4.2Å; F50-L85 HydrophobicContact CB-CD1 4.45Å; F50-L85 HydrophobicContact CD2-CD1 4.36Å; L85-M96 HydrophobicContact CD2-SD 3.94Å; L85-M96 HydrophobicContact CG-SD 4.41Å; L85-M96 WeakPolarHBondContact O-CA 2.98Å; L85-M96 WeakPolarHBondContact O-CB 3.24Å; L85-M96 PolarHBondContact O-N 3.4Å; L85-V97 HydrophobicContact CB-CB 4.16Å; L85-V97 HydrophobicContact CD2-CG2 4.36Å; L85-V97 PolarHBondContact N-O 2.97Å; L85-V97 PolarHBondContact O-N 3.23Å; L85-F142 HydrophobicContact CD2-CE1 4.1Å; L85-F142 HydrophobicContact CD2-CZ 4.01Å
86G95.6Very high92.6Very high1 Ų143.4 Ų43.41%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-87.4168.8177.400000113.8P49 V94P49-G86 PolarHBondContact O-N 3.24Å; G86-V94 WeakPolarHBondContact CA-O 3.39Å
87N94.4Very high92.8Very high7 Ų744.3 Ų44.34%0.03725%0.252CS..PPolyproline II helixtrans-77164.4173.3-76.7-44.1000111.6I91 E93 T95 M96 N139N87-I91 HydrophobicContact CB-CB 3.99Å; N87-I91 HydrophobicContact CB-CG2 3.86Å; N87-E93 VanDerWaalsContact CB-O 3.3Å; N87-E93 WeakPolarHBondContact CB-O 3.18Å; N87-E93 PolarHBondContact ND2-O 2.83Å; N87-T95 PolarHBondContact ND2-O 2.86Å; N87-M96 VanDerWaalsContact OD1-CB 3.3Å; N87-M96 WeakPolarHBondContact OD1-CB 3.3Å; N87-N139 WeakPolarHBondContact OD1-CB 3.41Å; N87-N139 PolarHBondContact OD1-ND2 3.3Å
88P91.7Very high93.1Very high21 Ų2145.4 Ų45.414%0.13626%0.257CS..PPolyproline II helixtrans-68.2160.717132.9-31.5000109.8D90 I91P88-D90 PolarHBondContact O-N 3.37Å; P88-I91 HydrophobicContact CG-CB 4.43Å; P88-I91 HydrophobicContact CG-CD1 3.96Å; P88-I91 HydrophobicContact CG-CG1 4.23Å; P88-I91 PolarHBondContact O-N 2.75Å
89P87Confident93.2Very high117 Ų11745 Ų4576%0.7625%0.253SS*.THydrogen-bonded Turntrans-54.4-28.4-175.1-27.334.8000115.3I91P89-I91 PolarHBondContact O-N 3.29Å
90D88.5Confident93.3Very high123 Ų12345.7 Ų45.766%0.65826%0.261SS*.THydrogen-bonded Turntrans-78.1-3.5-177.7-59.9-31.2000114.1P88P88-D90 PolarHBondContact O-N 3.37Å
91I91.9Very high93.3Very high7 Ų748.5 Ų48.54%0.03627%0.269CS..SBendtrans-118.3117.4178.9-67.1176000108.2N87 P88 P89 E93 I131 L133 N139N87-I91 HydrophobicContact CB-CB 3.99Å; N87-I91 HydrophobicContact CB-CG2 3.86Å; P88-I91 HydrophobicContact CG-CB 4.43Å; P88-I91 HydrophobicContact CG-CD1 3.96Å; P88-I91 HydrophobicContact CG-CG1 4.23Å; P88-I91 PolarHBondContact O-N 2.75Å; P89-I91 PolarHBondContact O-N 3.29Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 VanDerWaalsContact CG2-OE2 3.31Å; I91-E93 WeakPolarHBondContact CG2-OE2 2.96Å; I91-E93 PolarHBondContact O-N 3.2Å; I91-I131 HydrophobicContact CG2-CB 4.4Å; I91-I131 HydrophobicContact CG2-CD1 3.97Å; I91-I131 HydrophobicContact CG2-CG2 4.16Å; I91-L133 HydrophobicContact CG1-CD1 4Å; I91-L133 HydrophobicContact CG1-CG 4.49Å; I91-N139 HydrophobicContact CD1-CB 3.62Å
92P84.8Confident93.2Very high104 Ų10446.1 Ų46.168%0.67526%0.259SS*.  trans-70.6-24.6-167.126.5-33.9000114.3
93E85.3Confident93.1Very high76 Ų7646.4 Ų46.436%0.35526%0.259SS..  trans-65.2134.5178.4-68.472.8-162.600110.9N87 I91 T95 I131N87-E93 VanDerWaalsContact CB-O 3.3Å; N87-E93 WeakPolarHBondContact CB-O 3.18Å; N87-E93 PolarHBondContact ND2-O 2.83Å; I91-E93 VanDerWaalsContact C-N 3.34Å; I91-E93 VanDerWaalsContact CG2-OE2 3.31Å; I91-E93 WeakPolarHBondContact CG2-OE2 2.96Å; I91-E93 PolarHBondContact O-N 3.2Å; E93-T95 PolarHBondContact O-N 2.03Å; E93-I131 HydrophobicContact CB-CD1 3.89Å; E93-I131 HydrophobicContact CG-CD1 3.84Å
94V83.2Confident92.9Very high117 Ų11746.3 Ų46.371%0.70926%0.261SS*.SBendtrans-73.2-32.6-172.1-1790000113.1G86G86-V94 WeakPolarHBondContact CA-O 3.39Å
95T93.3Very high92.7Very high35 Ų3545 Ų4522%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-118.6124-168.3-55.80000111.6I84 N87 E93 H98I84-T95 HydrophobicContact CG2-CG2 4.19Å; N87-T95 PolarHBondContact ND2-O 2.86Å; E93-T95 PolarHBondContact O-N 2.03Å; T95-H98 HydrophobicContact CG2-CB 4.28Å
96M96.6Very high92.5Very high10 Ų1046 Ų465%0.04926%0.259CS..EExtended strand (participates in β ladder)trans-91.8-50.5169.4-174.7-168.8171.500110.9R48 L85 N87 A128 R129 N139 W140 F142R48-M96 PolarHBondContact NH1-SD 3.45Å; L85-M96 HydrophobicContact CD2-SD 3.94Å; L85-M96 HydrophobicContact CG-SD 4.41Å; L85-M96 WeakPolarHBondContact O-CA 2.98Å; L85-M96 WeakPolarHBondContact O-CB 3.24Å; L85-M96 PolarHBondContact O-N 3.4Å; N87-M96 VanDerWaalsContact OD1-CB 3.3Å; N87-M96 WeakPolarHBondContact OD1-CB 3.3Å; M96-A128 CarbonylContact O-C 3.54Å; M96-R129 PolarHBondContact O-N 2.9Å; M96-N139 WeakPolarHBondContact CE-O 3.46Å; M96-N139 HydrophobicContact CG-CB 4.43Å; M96-W140 HydrophobicContact CE-CB 4.42Å; M96-F142 HydrophobicContact CE-CE2 4.06Å; M96-F142 HydrophobicContact CE-CZ 3.93Å; M96-F142 HydrophobicContact SD-CZ 3.97Å
97V96.6Very high92.3Very high30 Ų3046 Ų4618%0.18226%0.259CS..EExtended strand (participates in β ladder)trans-135134.5-179-174.70000109.3I84 L85 L99 D127 A128I84-V97 WeakPolarHBondContact CA-O 3.44Å; L85-V97 HydrophobicContact CB-CB 4.16Å; L85-V97 HydrophobicContact CD2-CG2 4.36Å; L85-V97 PolarHBondContact N-O 2.97Å; L85-V97 PolarHBondContact O-N 3.23Å; V97-L99 HydrophobicContact CG1-CD1 4.46Å; V97-L99 HydrophobicContact CG1-CD2 3.79Å; V97-L99 HydrophobicContact CG1-CG 3.91Å; V97-D127 CarbonylContact C-O 3.57Å; V97-D127 WeakPolarHBondContact CA-O 3.47Å; V97-A128 HydrophobicContact CG2-CB 4.44Å
98H97.4Very high92Very high52 Ų5247 Ų4724%0.24127%0.266CS..EExtended strand (participates in β ladder)trans-119.8126.9168.6179-135.9000109.4D82 I83 T95 D127D82-H98 IonicContact OD1-CD2 2.94Å; D82-H98 IonicContact OD1-CE1 2.98Å; D82-H98 IonicContact OD1-NE2 3.19Å; D82-H98 PolarHBondContact OD1-NE2 3.03Å; I83-H98 WeakPolarHBondContact O-CA 3.32Å; I83-H98 PolarHBondContact O-CD2 2.96Å; T95-H98 HydrophobicContact CG2-CB 4.28Å; H98-D127 HydrophobicContact CB-CB 4.42Å; H98-D127 PolarHBondContact N-O 3.28Å; H98-D127 PolarHBondContact O-N 2.89Å
99L96.1Very high91.8Very high29 Ų2948.7 Ų48.715%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-121.3101.7176.4-51.2169.7000107.6I83 V97 R101 V102 L123 P126I83-L99 HydrophobicContact CB-CB 4.17Å; I83-L99 PolarHBondContact N-O 2.88Å; I83-L99 PolarHBondContact O-N 3.5Å; V97-L99 HydrophobicContact CG1-CD1 4.46Å; V97-L99 HydrophobicContact CG1-CD2 3.79Å; V97-L99 HydrophobicContact CG1-CG 3.91Å; L99-R101 PolarHBondContact O-N 3.34Å; L99-V102 HydrophobicContact CB-CG2 3.71Å; L99-V102 HydrophobicContact CD1-CG2 3.53Å; L99-V102 HydrophobicContact CG-CG2 4.19Å; L99-L123 HydrophobicContact CD1-CD2 4.36Å; L99-L123 HydrophobicContact CD2-CD1 4.49Å; L99-P126 HydrophobicContact CD2-CB 3.65Å
100P96.5Very high91.9Very high46 Ų4643.8 Ų43.830%0.29924%0.243SC..EExtended strand (participates in β ladder)trans-50.4-40.8173.5-31.535000113.3E81 D82 E124 K125E81-P100 CarbonylContact C-O 3.55Å; E81-P100 WeakPolarHBondContact CA-O 3.4Å; D82-P100 PolarHBondContact N-O 3.28Å; P100-E124 VanDerWaalsContact CD-O 3.26Å; P100-E124 WeakPolarHBondContact CD-O 2.94Å; P100-K125 WeakPolarHBondContact CD-O 3.31Å; P100-K125 HydrophobicContact CG-CB 4.23Å
101R96.5Very high92Very high67 Ų6741.1 Ų41.125%0.25323%0.229SC..EExtended strand (participates in β ladder)trans-152.8140.3175.4-174.4171.7172.8120.6-4.2111.6A80 E81 L99 E103 E124A80-R101 CarbonylContact O-C 3.59Å; A80-R101 WeakPolarHBondContact O-CA 3.39Å; E81-R101 HydrophobicContact CG-CG 4.24Å; E81-R101 IonicContact OE1-CZ 3.72Å; E81-R101 IonicContact OE1-NH1 2.84Å; E81-R101 PolarHBondContact OE1-NH1 2.96Å; L99-R101 PolarHBondContact O-N 3.34Å; R101-E103 HydrophobicContact CG-CG 4.39Å; R101-E103 IonicContact CZ-OE1 2.71Å; R101-E103 VanDerWaalsContact CZ-OE1 3.24Å; R101-E103 IonicContact NE-OE1 2.91Å; R101-E103 PolarHBondContact NE-OE1 3.49Å; R101-E103 IonicContact NH2-OE1 3.53Å; R101-E103 PolarHBondContact NH2-OE1 3.35Å; R101-E124 HydrophobicContact CB-CB 3.9Å; R101-E124 WeakPolarHBondContact CD-OE2 3.33Å; R101-E124 PolarHBondContact O-N 3.48Å
102V95.2Very high91.9Very high16 Ų1647.7 Ų47.710%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-126132.1172.5178.40000108.8H79 A80 I83 L99 I121 K122 L123H79-V102 CarbonylContact C-O 3.56Å; H79-V102 VanDerWaalsContact CA-O 3.26Å; H79-V102 WeakPolarHBondContact CA-O 3.38Å; A80-V102 PolarHBondContact N-O 3.07Å; A80-V102 PolarHBondContact O-N 3.49Å; I83-V102 HydrophobicContact CD1-CB 3.87Å; I83-V102 HydrophobicContact CD1-CG2 3.53Å; L99-V102 HydrophobicContact CB-CG2 3.71Å; L99-V102 HydrophobicContact CD1-CG2 3.53Å; L99-V102 HydrophobicContact CG-CG2 4.19Å; V102-I121 HydrophobicContact CG1-CD1 3.83Å; V102-I121 HydrophobicContact CG1-CG1 3.85Å; V102-K122 CarbonylContact C-O 3.55Å; V102-K122 WeakPolarHBondContact CA-O 3.04Å; V102-L123 HydrophobicContact CB-CD2 4.4Å; V102-L123 HydrophobicContact CG1-CD2 3.99Å; V102-L123 HydrophobicContact CG2-CD2 3.76Å
103E94.4Very high92.2Very high48 Ų4847.6 Ų47.622%0.22426%0.26CS..EExtended strand (participates in β ladder)trans-122.4129.9173-61177.6163.200109V78 H79 R101 W120 I121 K122V78-E103 CarbonylContact O-C 3.57Å; V78-E103 WeakPolarHBondContact O-CA 3.44Å; H79-E103 HydrophobicContact CB-CG 4.18Å; R101-E103 HydrophobicContact CG-CG 4.39Å; R101-E103 IonicContact CZ-OE1 2.71Å; R101-E103 VanDerWaalsContact CZ-OE1 3.24Å; R101-E103 IonicContact NE-OE1 2.91Å; R101-E103 PolarHBondContact NE-OE1 3.49Å; R101-E103 IonicContact NH2-OE1 3.53Å; R101-E103 PolarHBondContact NH2-OE1 3.35Å; E103-W120 HydrophobicContact CB-CH2 4.32Å; E103-W120 HydrophobicContact CB-CZ3 3.85Å; E103-W120 WeakPolarHBondContact O-CZ3 3.39Å; E103-I121 CarbonylContact O-C 3.57Å; E103-I121 WeakPolarHBondContact O-CA 3.24Å; E103-K122 HydrophobicContact CB-CB 4.31Å; E103-K122 PolarHBondContact N-O 2.87Å; E103-K122 PolarHBondContact O-N 3.09Å
104A93.7Very high92.5Very high14 Ų1449 Ų4912%0.11627%0.265CS..EExtended strand (participates in β ladder)trans-141.5144.1179.800000110.3H77 V78 L118 I121H77-A104 CarbonylContact C-O 3.6Å; V78-A104 PolarHBondContact N-O 3.12Å; V78-A104 PolarHBondContact O-N 3.4Å; A104-L118 HydrophobicContact CB-CD2 3.97Å; A104-I121 HydrophobicContact CB-CG1 4.23Å
105T91.9Very high93Very high1 Ų144.6 Ų44.61%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-111.6132.5176-66.80000109.5W75 H77 L118 P119 W120W75-T105 HydrophobicContact CB-CG2 4.08Å; W75-T105 HydrophobicContact CD2-CG2 4.43Å; W75-T105 HydrophobicContact CE3-CG2 3.63Å; W75-T105 HydrophobicContact CZ3-CG2 4.43Å; H77-T105 PolarHBondContact CD2-OG1 2.58Å; H77-T105 PolarHBondContact NE2-OG1 3.49Å; T105-L118 WeakPolarHBondContact O-CA 3.16Å; T105-P119 WeakPolarHBondContact O-CD 3.39Å; T105-W120 PolarHBondContact N-O 3.29Å; T105-W120 VanDerWaalsContact OG1-CE2 3.24Å; T105-W120 WeakPolarHBondContact OG1-CZ2 3.22Å
106L91.3Very high92.9Very high44 Ų4445 Ų4523%0.2324%0.241CC..  trans-105.1140.3177.6-63.1142.6000110.8P76 V78 P108 V116 W117 L118P76-L106 WeakPolarHBondContact CD-O 3.36Å; P76-L106 HydrophobicContact CG-CB 4.04Å; P76-L106 HydrophobicContact CG-CD1 4.44Å; P76-L106 PolarHBondContact O-N 3.45Å; P76-L106 VanDerWaalsContact O-N 3.09Å; V78-L106 HydrophobicContact CG2-CD1 3.75Å; L106-P108 WeakPolarHBondContact O-CD 3.48Å; L106-V116 HydrophobicContact CD2-CG1 3.88Å; L106-W117 WeakPolarHBondContact CA-O 3.17Å; L106-L118 HydrophobicContact CD2-CD1 3.61Å; L106-L118 HydrophobicContact CD2-CG 4.22Å
107A91.3Very high92.7Very high2 Ų247 Ų472%0.01725%0.249CC..  trans-82.3104.2172.400000110.9W75 L109 A110 W117W75-A107 VanDerWaalsContact CE3-CA 3.46Å; W75-A107 HydrophobicContact CE3-CB 4Å; W75-A107 HydrophobicContact CH2-CB 3.44Å; W75-A107 VanDerWaalsContact CH2-CB 3.44Å; W75-A107 HydrophobicContact CZ2-CB 4.22Å; W75-A107 HydrophobicContact CZ3-CB 3.27Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.46Å; A107-A110 HydrophobicContact CB-CB 3.91Å; A107-A110 WeakPolarHBondContact O-CB 3.4Å; A107-A110 PolarHBondContact O-N 3.3Å; A107-A110 VanDerWaalsContact O-N 3.12Å; A107-W117 HydrophobicContact CB-CB 4Å; A107-W117 HydrophobicContact CB-CD2 3.7Å; A107-W117 HydrophobicContact CB-CE3 3.2Å; A107-W117 HydrophobicContact CB-CG 4.07Å; A107-W117 HydrophobicContact CB-CZ3 3.87Å; A107-W117 PolarHBondContact N-O 3.07Å
108P88.1Confident92.4Very high27 Ų2746.4 Ų46.418%0.17524%0.244CC..Hα-helixtrans-65.9-35-171.426.4-34.3000112.4V73 W75 L106 A110 L111V73-P108 HydrophobicContact CG1-CG 3.86Å; W75-P108 HydrophobicContact CG-CG 4.5Å; L106-P108 WeakPolarHBondContact O-CD 3.48Å; P108-A110 VanDerWaalsContact C-N 3.28Å; P108-A110 PolarHBondContact O-N 2.73Å; P108-L111 WeakPolarHBondContact O-CB 3.45Å; P108-L111 PolarHBondContact O-N 3.34Å
109L87.9Confident91.9Very high57 Ų5745 Ų4530%0.29824%0.24SC..Hα-helixtrans-69.1-26178.8-63179.8000112.8W69 R70 A107 L111 L112W69-L109 HydrophobicContact CH2-CD1 3.87Å; W69-L109 HydrophobicContact CH2-CD2 4.22Å; W69-L109 HydrophobicContact CZ3-CD1 4.23Å; W69-L109 HydrophobicContact CZ3-CD2 4.49Å; R70-L109 HydrophobicContact CG-CD1 3.98Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.46Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 3.26Å; L109-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 WeakPolarHBondContact O-CB 3.45Å; L109-L112 PolarHBondContact O-N 3.41Å
110A89.8Confident91.5Very high14 Ų1446.7 Ų46.712%0.11624%0.244CC..Hα-helixtrans-72-24176.300000112.1A107 P108 L112 T113 K114 T115 W117A107-A110 HydrophobicContact CB-CB 3.91Å; A107-A110 WeakPolarHBondContact O-CB 3.4Å; A107-A110 PolarHBondContact O-N 3.3Å; A107-A110 VanDerWaalsContact O-N 3.12Å; P108-A110 VanDerWaalsContact C-N 3.28Å; P108-A110 PolarHBondContact O-N 2.73Å; A110-L112 PolarHBondContact O-N 2.91Å; A110-T113 CarbonylContact O-C 3.55Å; A110-T113 PolarHBondContact O-N 3.09Å; A110-T113 VanDerWaalsContact O-N 3.1Å; A110-T113 PolarHBondContact O-OG1 3.22Å; A110-K114 PolarHBondContact O-N 2.78Å; A110-T115 CarbonylContact C-O 3.57Å; A110-T115 WeakPolarHBondContact CB-O 3.44Å; A110-T115 WeakPolarHBondContact O-CA 3.37Å; A110-T115 PolarHBondContact O-N 2.99Å; A110-T115 VanDerWaalsContact O-O 3.1Å; A110-W117 HydrophobicContact CB-CB 3.82Å; A110-W117 HydrophobicContact CB-CE3 4.06Å
111L90Very high91.2Very high68 Ų6846.1 Ų46.136%0.35624%0.238SC..Hα-helixtrans-64.6-28.9174.8-58.5173.4000111.8P108 L109 T113 K114 T115 V116 W159P108-L111 WeakPolarHBondContact O-CB 3.45Å; P108-L111 PolarHBondContact O-N 3.34Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 3.26Å; L111-T113 VanDerWaalsContact C-N 3.27Å; L111-T113 PolarHBondContact O-N 3.15Å; L111-K114 WeakPolarHBondContact O-CA 3.21Å; L111-K114 PolarHBondContact O-N 3.01Å; L111-T115 PolarHBondContact N-O 2.98Å; L111-V116 HydrophobicContact CD2-CG2 4.22Å; L111-W159 HydrophobicContact CB-CZ3 4.46Å; L111-W159 HydrophobicContact CD2-CZ3 4.01Å
112L90Very high91Very high144 Ų14447 Ų4775%0.75424%0.244SC*.Hα-helixtrans-65.6-31.2174.7-62.1173.3000112.2L109 A110 K114L109-L112 HydrophobicContact CD2-CD1 4.25Å; L109-L112 WeakPolarHBondContact O-CB 3.45Å; L109-L112 PolarHBondContact O-N 3.41Å; A110-L112 PolarHBondContact O-N 2.91Å; L112-K114 PolarHBondContact O-N 3.3Å
113T90.5Very high90.9Very high102 Ų10247.8 Ų47.863%0.62625%0.247SC*.THydrogen-bonded Turntrans-88.513.8172.660.80000112.4A110 L111 T115A110-T113 CarbonylContact O-C 3.55Å; A110-T113 PolarHBondContact O-N 3.09Å; A110-T113 VanDerWaalsContact O-N 3.1Å; A110-T113 PolarHBondContact O-OG1 3.22Å; L111-T113 VanDerWaalsContact C-N 3.27Å; L111-T113 PolarHBondContact O-N 3.15Å; T113-T115 VanDerWaalsContact C-N 3.27Å; T113-T115 PolarHBondContact O-N 3.47Å
114K92.9Very high90.8Very high106 Ų10649 Ų4946%0.46125%0.253SS..THydrogen-bonded Turntrans57.536-174.6-55.2179.7-178.71770113A110 L111 L112 A158 W159 S160A110-K114 PolarHBondContact O-N 2.78Å; L111-K114 WeakPolarHBondContact O-CA 3.21Å; L111-K114 PolarHBondContact O-N 3.01Å; L112-K114 PolarHBondContact O-N 3.3Å; K114-A158 VanDerWaalsContact CB-O 3.32Å; K114-A158 WeakPolarHBondContact CB-O 3.43Å; K114-A158 HydrophobicContact CD-CB 3.91Å; K114-W159 HydrophobicContact CB-CD2 3.99Å; K114-W159 HydrophobicContact CB-CE3 3.96Å; K114-W159 HydrophobicContact CB-CG 4.41Å; K114-W159 HydrophobicContact CB-CZ3 4.33Å; K114-W159 CarbonylContact O-C 3.42Å; K114-W159 WeakPolarHBondContact O-CA 3.45Å; K114-S160 PolarHBondContact O-N 3.26Å
115T92.9Very high90.9Very high25 Ų2553.2 Ų53.215%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-114.9116.5176.2-54.80000110.2A110 L111 T113 W117 S160 R162A110-T115 CarbonylContact C-O 3.57Å; A110-T115 WeakPolarHBondContact CB-O 3.44Å; A110-T115 WeakPolarHBondContact O-CA 3.37Å; A110-T115 PolarHBondContact O-N 2.99Å; A110-T115 VanDerWaalsContact O-O 3.1Å; L111-T115 PolarHBondContact N-O 2.98Å; T113-T115 VanDerWaalsContact C-N 3.27Å; T113-T115 PolarHBondContact O-N 3.47Å; T115-W117 HydrophobicContact CG2-CB 4.2Å; T115-W117 PolarHBondContact O-N 3.17Å; T115-W117 VanDerWaalsContact O-N 3.17Å; T115-S160 CarbonylContact C-O 3.53Å; T115-S160 VanDerWaalsContact CA-O 3.29Å; T115-S160 WeakPolarHBondContact CA-O 3.32Å; T115-S160 WeakPolarHBondContact CG2-OG 3.27Å; T115-S160 PolarHBondContact OG1-OG 2.86Å; T115-R162 HydrophobicContact CG2-CB 4.17Å
116V92.2Very high91Very high44 Ų4454.1 Ų54.127%0.26728%0.275SS..EExtended strand (participates in β ladder)trans-78.595.5167.9-1790000107.4L106 L111 L118 W159 S160 F161 R162L106-V116 HydrophobicContact CD2-CG1 3.88Å; L111-V116 HydrophobicContact CD2-CG2 4.22Å; V116-L118 HydrophobicContact CG1-CD1 3.76Å; V116-W159 HydrophobicContact CG2-CE3 3.95Å; V116-W159 HydrophobicContact CG2-CZ3 4.3Å; V116-S160 PolarHBondContact N-O 2.98Å; V116-F161 HydrophobicContact CB-CD2 3.98Å; V116-F161 HydrophobicContact CG1-CD2 3.82Å; V116-F161 HydrophobicContact CG1-CE2 4.1Å; V116-F161 CarbonylContact O-C 3.59Å; V116-F161 WeakPolarHBondContact O-CA 3.41Å; V116-R162 PolarHBondContact O-N 2.86Å
117W91.8Very high91.3Very high52 Ų5253.3 Ų53.320%0.19727%0.27CS..EExtended strand (participates in β ladder)trans-106.9120.1-177.2175.427.8000112W75 L106 A107 A110 T115 P119 R162 D164W75-W117 HydrophobicContact CH2-CE3 4.45Å; W75-W117 HydrophobicContact CH2-CH2 4.17Å; W75-W117 AromaticContact CH2-CZ3 3.99Å; W75-W117 HydrophobicContact CH2-CZ3 3.99Å; L106-W117 WeakPolarHBondContact CA-O 3.17Å; A107-W117 HydrophobicContact CB-CB 4Å; A107-W117 HydrophobicContact CB-CD2 3.7Å; A107-W117 HydrophobicContact CB-CE3 3.2Å; A107-W117 HydrophobicContact CB-CG 4.07Å; A107-W117 HydrophobicContact CB-CZ3 3.87Å; A107-W117 PolarHBondContact N-O 3.07Å; A110-W117 HydrophobicContact CB-CB 3.82Å; A110-W117 HydrophobicContact CB-CE3 4.06Å; T115-W117 HydrophobicContact CG2-CB 4.2Å; T115-W117 PolarHBondContact O-N 3.17Å; T115-W117 VanDerWaalsContact O-N 3.17Å; W117-P119 HydrophobicContact CZ2-CG 4.25Å; W117-R162 CarbonylContact C-O 3.6Å; W117-R162 WeakPolarHBondContact CA-O 3.42Å; W117-R162 HydrophobicContact CB-CB 4.21Å; W117-R162 VanDerWaalsContact CD1-CG 3.48Å; W117-R162 VanDerWaalsContact CE2-CZ 3.43Å; W117-R162 HydrophobicContact CG-CB 4.28Å; W117-R162 HydrophobicContact CG-CG 4.18Å; W117-R162 VanDerWaalsContact CZ2-NH2 3.32Å; W117-D164 VanDerWaalsContact NE1-CG 3.26Å; W117-D164 PolarHBondContact NE1-OD1 3.34Å; W117-D164 PolarHBondContact NE1-OD2 2.87Å
118L90.2Very high91.5Very high17 Ų1754.3 Ų54.39%0.08928%0.279CS..EExtended strand (participates in β ladder)trans-108.9107.4173.1-74.270.2000110.1A104 T105 L106 V116 W120 F161 R162 L163 D164A104-L118 HydrophobicContact CB-CD2 3.97Å; T105-L118 WeakPolarHBondContact O-CA 3.16Å; L106-L118 HydrophobicContact CD2-CD1 3.61Å; L106-L118 HydrophobicContact CD2-CG 4.22Å; V116-L118 HydrophobicContact CG1-CD1 3.76Å; L118-W120 PolarHBondContact O-N 2.84Å; L118-F161 HydrophobicContact CD1-CD2 4.47Å; L118-F161 HydrophobicContact CD1-CE2 3.63Å; L118-F161 HydrophobicContact CD1-CZ 4.21Å; L118-F161 HydrophobicContact CD2-CZ 4.49Å; L118-R162 PolarHBondContact N-O 3.41Å; L118-L163 HydrophobicContact CB-CD1 3.62Å; L118-L163 HydrophobicContact CD2-CD1 4.31Å; L118-L163 CarbonylContact O-C 3.53Å; L118-L163 WeakPolarHBondContact O-CA 3.29Å; L118-D164 PolarHBondContact O-N 2.87Å
119P87.8Confident91.9Very high23 Ų2357.9 Ų57.915%0.14929%0.288CS..SBendtrans-66.4-26.7174.7-19.431.6000113.2W75 T105 W117 D164 N165W75-P119 HydrophobicContact CE3-CG 4.26Å; W75-P119 HydrophobicContact CH2-CG 4.01Å; W75-P119 HydrophobicContact CZ3-CG 3.33Å; T105-P119 WeakPolarHBondContact O-CD 3.39Å; W117-P119 HydrophobicContact CZ2-CG 4.25Å; P119-D164 WeakPolarHBondContact O-CB 3.35Å; P119-N165 PolarHBondContact O-N 2.89Å; P119-N165 PolarHBondContact O-ND2 3.31Å
120W87Confident92.3Very high64 Ų6457.7 Ų57.724%0.24229%0.287CS..EExtended strand (participates in β ladder)trans-157.2151.3173.755.2-94.3000110.4H77 E103 T105 L118 K122 N165 L167H77-W120 AromaticContact CD2-CZ2 3.81Å; E103-W120 HydrophobicContact CB-CH2 4.32Å; E103-W120 HydrophobicContact CB-CZ3 3.85Å; E103-W120 WeakPolarHBondContact O-CZ3 3.39Å; T105-W120 PolarHBondContact N-O 3.29Å; T105-W120 VanDerWaalsContact OG1-CE2 3.24Å; T105-W120 WeakPolarHBondContact OG1-CZ2 3.22Å; L118-W120 PolarHBondContact O-N 2.84Å; W120-K122 HydrophobicContact CE3-CB 4.27Å; W120-K122 HydrophobicContact CZ3-CB 4.16Å; W120-N165 CarbonylContact C-O 3.46Å; W120-N165 VanDerWaalsContact CA-O 3.26Å; W120-N165 WeakPolarHBondContact CA-O 3.26Å; W120-N165 HydrophobicContact CB-CB 4.1Å; W120-L167 HydrophobicContact CB-CD1 4.25Å
121I90.9Very high92.6Very high33 Ų3357.3 Ų57.317%0.16928%0.284CS..EExtended strand (participates in β ladder)trans-127136.5164.5-172.1169.8000107.7V102 E103 A104 L123 L163 N165 I166 L167V102-I121 HydrophobicContact CG1-CD1 3.83Å; V102-I121 HydrophobicContact CG1-CG1 3.85Å; E103-I121 CarbonylContact O-C 3.57Å; E103-I121 WeakPolarHBondContact O-CA 3.24Å; A104-I121 HydrophobicContact CB-CG1 4.23Å; I121-L123 HydrophobicContact CD1-CD2 4.05Å; I121-L123 HydrophobicContact CG1-CD2 4.01Å; I121-L163 HydrophobicContact CB-CD1 4.18Å; I121-L163 HydrophobicContact CG2-CD1 3.84Å; I121-L163 HydrophobicContact CG2-CD2 4.06Å; I121-N165 PolarHBondContact N-O 2.99Å; I121-I166 HydrophobicContact CG2-CB 4.13Å; I121-I166 HydrophobicContact CG2-CG1 3.76Å; I121-I166 HydrophobicContact CG2-CG2 4.14Å; I121-I166 CarbonylContact O-C 3.55Å; I121-L167 PolarHBondContact O-N 3.36Å
122K91.4Very high92.9Very high87 Ų8756.6 Ų56.638%0.37828%0.276SS..EExtended strand (participates in β ladder)trans-117.9127176.9-175.1-174.8172.1-163.10109.3V102 E103 W120 L167V102-K122 CarbonylContact C-O 3.55Å; V102-K122 WeakPolarHBondContact CA-O 3.04Å; E103-K122 HydrophobicContact CB-CB 4.31Å; E103-K122 PolarHBondContact N-O 2.87Å; E103-K122 PolarHBondContact O-N 3.09Å; W120-K122 HydrophobicContact CE3-CB 4.27Å; W120-K122 HydrophobicContact CZ3-CB 4.16Å; K122-L167 CarbonylContact C-O 3.52Å; K122-L167 WeakPolarHBondContact CA-O 3.36Å; K122-L167 HydrophobicContact CB-CB 4.17Å; K122-L167 HydrophobicContact CG-CB 4.18Å
123L92.6Very high93.1Very high32 Ų3252.9 Ų52.917%0.16826%0.257CS..EExtended strand (participates in β ladder)trans-110.3122.7177.6-46.3176.7000108.3L99 V102 I121 P126 I166 L167 F168L99-L123 HydrophobicContact CD1-CD2 4.36Å; L99-L123 HydrophobicContact CD2-CD1 4.49Å; V102-L123 HydrophobicContact CB-CD2 4.4Å; V102-L123 HydrophobicContact CG1-CD2 3.99Å; V102-L123 HydrophobicContact CG2-CD2 3.76Å; I121-L123 HydrophobicContact CD1-CD2 4.05Å; I121-L123 HydrophobicContact CG1-CD2 4.01Å; L123-P126 HydrophobicContact CB-CB 4.46Å; L123-P126 HydrophobicContact CB-CG 4.15Å; L123-I166 HydrophobicContact CD1-CG2 4.37Å; L123-L167 PolarHBondContact N-O 2.81Å; L123-F168 HydrophobicContact CB-CB 4.04Å; L123-F168 WeakPolarHBondContact O-CA 3.1Å; L123-F168 WeakPolarHBondContact O-CB 3.46Å
124E93.1Very high93.2Very high74 Ų7450.5 Ų50.535%0.34624%0.244SC..EExtended strand (participates in β ladder)trans-92120.4173.6-166.8178.5166.400109.4P100 R101 P126 D169P100-E124 VanDerWaalsContact CD-O 3.26Å; P100-E124 WeakPolarHBondContact CD-O 2.94Å; R101-E124 HydrophobicContact CB-CB 3.9Å; R101-E124 WeakPolarHBondContact CD-OE2 3.33Å; R101-E124 PolarHBondContact O-N 3.48Å; E124-P126 VanDerWaalsContact C-CD 3.43Å; E124-D169 WeakPolarHBondContact CA-OD1 3.44Å
125K94.6Very high92.8Very high102 Ų10251.9 Ų51.944%0.44325%0.252SS..SBendtrans47.251177.1-63.3176-178.7169.30114.6P100 D127 D169 Q170P100-K125 WeakPolarHBondContact CD-O 3.31Å; P100-K125 HydrophobicContact CG-CB 4.23Å; K125-D127 PolarHBondContact O-N 2.79Å; K125-D169 PolarHBondContact N-OD1 2.84Å; K125-Q170 VanDerWaalsContact CA-O 3.25Å; K125-Q170 WeakPolarHBondContact CA-O 3.48Å; K125-Q170 HydrophobicContact CG-CB 4.39Å
126P94.9Very high92.5Very high20 Ų2060.2 Ų60.213%0.1329%0.287CS..  trans-52.7126.1173.821.5-36.3000112.4L99 L123 E124 F168 Q170 G171 R172L99-P126 HydrophobicContact CD2-CB 3.65Å; L123-P126 HydrophobicContact CB-CB 4.46Å; L123-P126 HydrophobicContact CB-CG 4.15Å; E124-P126 VanDerWaalsContact C-CD 3.43Å; P126-F168 HydrophobicContact CG-CB 4.15Å; P126-F168 HydrophobicContact CG-CD2 4.48Å; P126-F168 HydrophobicContact CG-CG 4.43Å; P126-Q170 WeakPolarHBondContact CD-O 3.39Å; P126-G171 CarbonylContact O-C 3.51Å; P126-G171 WeakPolarHBondContact O-CA 3.31Å; P126-R172 PolarHBondContact O-N 2.77Å
127D96.5Very high92.5Very high27 Ų2759.9 Ų59.914%0.14428%0.283CS..EExtended strand (participates in β ladder)trans-110.9110.9168.8-173.5-24.2000108V97 H98 K125 R172V97-D127 CarbonylContact C-O 3.57Å; V97-D127 WeakPolarHBondContact CA-O 3.47Å; H98-D127 HydrophobicContact CB-CB 4.42Å; H98-D127 PolarHBondContact N-O 3.28Å; H98-D127 PolarHBondContact O-N 2.89Å; K125-D127 PolarHBondContact O-N 2.79Å; D127-R172 WeakPolarHBondContact CA-O 3.31Å; D127-R172 IonicContact OD2-NH1 3.78Å; D127-R172 PolarHBondContact OD2-NH1 3Å
128A95.9Very high92.6Very high23 Ų2358.2 Ų58.219%0.1928%0.278CS..EExtended strand (participates in β ladder)trans-113137.1178.500000110.3M96 V97 R172 I173 A174M96-A128 CarbonylContact O-C 3.54Å; V97-A128 HydrophobicContact CG2-CB 4.44Å; A128-R172 PolarHBondContact N-O 3.28Å; A128-I173 CarbonylContact O-C 3.57Å; A128-I173 VanDerWaalsContact O-CA 3.26Å; A128-I173 WeakPolarHBondContact O-CA 3.34Å; A128-A174 PolarHBondContact O-N 3.04Å
129R97.1Very high92.9Very high101 Ų10157.4 Ų57.438%0.38127%0.274SS..EExtended strand (participates in β ladder)trans-119.7116.6176.1-55.9-170.1-179178.91.6108.4M96 N139 A174M96-R129 PolarHBondContact O-N 2.9Å; R129-N139 PolarHBondContact O-ND2 2.79Å; R129-A174 CarbonylContact C-O 3.43Å; R129-A174 WeakPolarHBondContact CA-O 3.5Å; R129-A174 HydrophobicContact CG-CB 4.22Å
130L96.4Very high93.1Very high53 Ų5360.9 Ų60.928%0.27728%0.284SS..EExtended strand (participates in β ladder)trans-103.6119.1179.6-58.1-177000108.3N139 W140 I173 A174 I175 D176L130-N139 WeakPolarHBondContact CA-OD1 3.26Å; L130-W140 HydrophobicContact CB-CE3 3.84Å; L130-W140 HydrophobicContact CB-CZ3 3.86Å; L130-W140 HydrophobicContact CD2-CB 4.45Å; L130-W140 HydrophobicContact CD2-CE3 4.33Å; L130-I173 HydrophobicContact CD1-CG2 4.03Å; L130-I173 HydrophobicContact CG-CG2 4.28Å; L130-A174 PolarHBondContact N-O 2.93Å; L130-I175 HydrophobicContact CB-CG1 4.44Å; L130-I175 CarbonylContact O-C 3.57Å; L130-I175 WeakPolarHBondContact O-CA 3.47Å; L130-D176 PolarHBondContact O-N 3.12Å
131I96.5Very high93.3Very high7 Ų761.9 Ų61.94%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-124.3129.3-174.1-57.2174.8000109.2I91 E93 L133 N138 N139 W140 D176I91-I131 HydrophobicContact CG2-CB 4.4Å; I91-I131 HydrophobicContact CG2-CD1 3.97Å; I91-I131 HydrophobicContact CG2-CG2 4.16Å; E93-I131 HydrophobicContact CB-CD1 3.89Å; E93-I131 HydrophobicContact CG-CD1 3.84Å; I131-L133 HydrophobicContact CG2-CD2 4.03Å; I131-L133 HydrophobicContact CG2-CG 4.3Å; I131-N138 CarbonylContact O-C 3.5Å; I131-N138 WeakPolarHBondContact O-CA 3.44Å; I131-N138 WeakPolarHBondContact O-CB 3.3Å; I131-N139 VanDerWaalsContact N-CG 3.29Å; I131-N139 PolarHBondContact N-ND2 3.43Å; I131-N139 PolarHBondContact N-OD1 3.22Å; I131-N139 PolarHBondContact O-N 3.15Å; I131-N139 PolarHBondContact O-OD1 2.67Å; I131-W140 WeakPolarHBondContact O-CZ3 3.35Å; I131-D176 CarbonylContact C-O 3.58Å; I131-D176 VanDerWaalsContact CA-O 3.26Å; I131-D176 WeakPolarHBondContact CA-O 3.25Å; I131-D176 HydrophobicContact CG1-CB 4.49Å
132R95.6Very high93.2Very high53 Ų5363.8 Ų63.820%0.231%0.305CS..EExtended strand (participates in β ladder)trans-130.3116.8169.6176.416769.5165.4-2.1110.9S134 E135 N138 W140 D176 D177 K178 V179R132-S134 VanDerWaalsContact CG-O 3.3Å; R132-S134 WeakPolarHBondContact CG-O 3.28Å; R132-E135 IonicContact NH1-OE2 3.31Å; R132-N138 HydrophobicContact CB-CB 3.94Å; R132-N138 HydrophobicContact CG-CB 4.11Å; R132-W140 HydrophobicContact CB-CH2 3.31Å; R132-W140 HydrophobicContact CB-CZ2 3.95Å; R132-W140 HydrophobicContact CB-CZ3 3.9Å; R132-W140 HydrophobicContact CG-CH2 4.21Å; R132-W140 HydrophobicContact CG-CZ2 4.41Å; R132-D176 PolarHBondContact N-O 2.77Å; R132-D177 IonicContact CZ-OD1 3.88Å; R132-D177 IonicContact CZ-OD2 3.59Å; R132-D177 VanDerWaalsContact NE-CG 3.33Å; R132-D177 IonicContact NE-OD1 3.24Å; R132-D177 PolarHBondContact NE-OD1 2.84Å; R132-D177 IonicContact NE-OD2 2.84Å; R132-D177 PolarHBondContact NE-OD2 2.85Å; R132-D177 IonicContact NH2-OD1 2.68Å; R132-D177 PolarHBondContact NH2-OD1 2.82Å; R132-D177 IonicContact NH2-OD2 3.73Å; R132-D177 PolarHBondContact NH2-OD2 3.38Å; R132-K178 PolarHBondContact O-N 2.77Å; R132-V179 HydrophobicContact CG-CG2 3.89Å
133L94Very high93Very high65 Ų6563.6 Ų63.634%0.3431%0.308SS..EExtended strand (participates in β ladder)trans-91.9-32.1178.4-58.2-178.9000111.7I91 I131 N137 K178I91-L133 HydrophobicContact CG1-CD1 4Å; I91-L133 HydrophobicContact CG1-CG 4.49Å; I131-L133 HydrophobicContact CG2-CD2 4.03Å; I131-L133 HydrophobicContact CG2-CG 4.3Å; L133-N137 HydrophobicContact CB-CB 4.49Å; L133-N137 PolarHBondContact N-O 2.79Å; L133-K178 HydrophobicContact CD2-CG 4.29Å
134S92.7Very high92.7Very high53 Ų5364.9 Ų64.937%0.37131%0.314SS..EExtended strand (participates in β ladder)trans-155.5171.9174.970.90000110.7R132 K136 N137R132-S134 VanDerWaalsContact CG-O 3.3Å; R132-S134 WeakPolarHBondContact CG-O 3.28Å; S134-K136 PolarHBondContact O-N 2.87Å; S134-N137 PolarHBondContact N-O 3.47Å; S134-N137 CarbonylContact O-C 3.59Å; S134-N137 PolarHBondContact O-N 2.92Å; S134-N137 VanDerWaalsContact O-O 3.09Å; S134-N137 WeakPolarHBondContact OG-CB 3.34Å; S134-N137 PolarHBondContact OG-N 3.4Å
135E85.2Confident92.2Very high134 Ų13463.6 Ų63.663%0.62632%0.317SS*.THydrogen-bonded Turntrans-53.1-29.8178.9-69.2-66.4179.300114.3R132 V179R132-E135 IonicContact NH1-OE2 3.31Å; E135-V179 WeakPolarHBondContact OE1-CG1 3.28Å
136K86.9Confident91.3Very high201 Ų20163.5 Ų63.587%0.87432%0.321SS*.THydrogen-bonded Turntrans-101.6-14.5179.9-63.3-175.5179.8-177.60113.8S134S134-K136 PolarHBondContact O-N 2.87Å
137N91.9Very high90.2Very high37 Ų3767.1 Ų67.120%0.19834%0.339CS..EExtended strand (participates in β ladder)trans-117.4100.3-174.9-170.9-4.2000110L133 S134L133-N137 HydrophobicContact CB-CB 4.49Å; L133-N137 PolarHBondContact N-O 2.79Å; S134-N137 PolarHBondContact N-O 3.47Å; S134-N137 CarbonylContact O-C 3.59Å; S134-N137 PolarHBondContact O-N 2.92Å; S134-N137 VanDerWaalsContact O-O 3.09Å; S134-N137 WeakPolarHBondContact OG-CB 3.34Å; S134-N137 PolarHBondContact OG-N 3.4Å
138N94.4Very high88.8Confident17 Ų1771.3 Ų71.39%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-141.3162.8175.271.364.4000109.9I131 R132 W140 T141I131-N138 CarbonylContact O-C 3.5Å; I131-N138 WeakPolarHBondContact O-CA 3.44Å; I131-N138 WeakPolarHBondContact O-CB 3.3Å; R132-N138 HydrophobicContact CB-CB 3.94Å; R132-N138 HydrophobicContact CG-CB 4.11Å; N138-W140 HydrophobicContact CB-CD2 3.89Å; N138-W140 HydrophobicContact CB-CE3 4.13Å; N138-W140 HydrophobicContact CB-CH2 4.11Å; N138-W140 HydrophobicContact CB-CZ2 3.77Å; N138-W140 HydrophobicContact CB-CZ3 4.24Å; N138-W140 VanDerWaalsContact CG-CE2 3.48Å; N138-W140 VanDerWaalsContact OD1-CD1 3.24Å; N138-W140 PolarHBondContact OD1-N 2.86Å; N138-W140 PolarHBondContact OD1-NE1 3.01Å; N138-T141 PolarHBondContact ND2-OG1 3.17Å; N138-T141 VanDerWaalsContact ND2-OG1 3.08Å; N138-T141 WeakPolarHBondContact OD1-CB 3.34Å; N138-T141 PolarHBondContact OD1-N 2.97Å; N138-T141 PolarHBondContact OD1-OG1 3.35Å; N138-T141 VanDerWaalsContact OD1-OG1 3.05Å
139N94.9Very high87.4Confident0 Ų074.3 Ų74.30%037%0.374CS..SBendtrans-92-6.9-179.570.1-4.1000114.9R48 N87 I91 M96 R129 L130 I131R48-N139 PolarHBondContact NH1-O 3.24Å; R48-N139 PolarHBondContact NH2-O 3.39Å; N87-N139 WeakPolarHBondContact OD1-CB 3.41Å; N87-N139 PolarHBondContact OD1-ND2 3.3Å; I91-N139 HydrophobicContact CD1-CB 3.62Å; M96-N139 WeakPolarHBondContact CE-O 3.46Å; M96-N139 HydrophobicContact CG-CB 4.43Å; R129-N139 PolarHBondContact O-ND2 2.79Å; L130-N139 WeakPolarHBondContact CA-OD1 3.26Å; I131-N139 VanDerWaalsContact N-CG 3.29Å; I131-N139 PolarHBondContact N-ND2 3.43Å; I131-N139 PolarHBondContact N-OD1 3.22Å; I131-N139 PolarHBondContact O-N 3.15Å; I131-N139 PolarHBondContact O-OD1 2.67Å
140W92.9Very high85.8Confident95 Ų9578.9 Ų78.936%0.3640%0.397SS..SBendtrans-94.9-12.3-178.955.577.9000114.2M96 L130 I131 R132 N138 F142M96-W140 HydrophobicContact CE-CB 4.42Å; L130-W140 HydrophobicContact CB-CE3 3.84Å; L130-W140 HydrophobicContact CB-CZ3 3.86Å; L130-W140 HydrophobicContact CD2-CB 4.45Å; L130-W140 HydrophobicContact CD2-CE3 4.33Å; I131-W140 WeakPolarHBondContact O-CZ3 3.35Å; R132-W140 HydrophobicContact CB-CH2 3.31Å; R132-W140 HydrophobicContact CB-CZ2 3.95Å; R132-W140 HydrophobicContact CB-CZ3 3.9Å; R132-W140 HydrophobicContact CG-CH2 4.21Å; R132-W140 HydrophobicContact CG-CZ2 4.41Å; N138-W140 HydrophobicContact CB-CD2 3.89Å; N138-W140 HydrophobicContact CB-CE3 4.13Å; N138-W140 HydrophobicContact CB-CH2 4.11Å; N138-W140 HydrophobicContact CB-CZ2 3.77Å; N138-W140 HydrophobicContact CB-CZ3 4.24Å; N138-W140 VanDerWaalsContact CG-CE2 3.48Å; N138-W140 VanDerWaalsContact OD1-CD1 3.24Å; N138-W140 PolarHBondContact OD1-N 2.86Å; N138-W140 PolarHBondContact OD1-NE1 3.01Å; W140-F142 VanDerWaalsContact O-CD2 3.26Å; W140-F142 WeakPolarHBondContact O-CD2 3.04Å; W140-F142 WeakPolarHBondContact O-CE2 3.26Å
141T91.2Very high84.5Confident85 Ų8581.8 Ų81.852%0.52141%0.413SS..  trans-82.4120.1168.9-600000109R48 N138R48-T141 PolarHBondContact NH2-O 3.08Å; N138-T141 PolarHBondContact ND2-OG1 3.17Å; N138-T141 VanDerWaalsContact ND2-OG1 3.08Å; N138-T141 WeakPolarHBondContact OD1-CB 3.34Å; N138-T141 PolarHBondContact OD1-N 2.97Å; N138-T141 PolarHBondContact OD1-OG1 3.35Å; N138-T141 VanDerWaalsContact OD1-OG1 3.05Å
142F89.5Confident83Confident74 Ų7486.5 Ų86.533%0.32545%0.453SS..  trans-97.9130177.2-70.5-101.3000109.1L46 L85 M96 W140 L144L46-F142 HydrophobicContact CD2-CD1 4.13Å; L46-F142 HydrophobicContact CD2-CE1 4.41Å; L85-F142 HydrophobicContact CD2-CE1 4.1Å; L85-F142 HydrophobicContact CD2-CZ 4.01Å; M96-F142 HydrophobicContact CE-CE2 4.06Å; M96-F142 HydrophobicContact CE-CZ 3.93Å; M96-F142 HydrophobicContact SD-CZ 3.97Å; W140-F142 VanDerWaalsContact O-CD2 3.26Å; W140-F142 WeakPolarHBondContact O-CD2 3.04Å; W140-F142 WeakPolarHBondContact O-CE2 3.26Å; F142-L144 HydrophobicContact CB-CD2 4.2Å
143N85.6Confident81.7Confident83 Ų8391.3 Ų91.344%0.44448%0.483SS..  trans-105.699.5165.1-176.616.5000106.9N47 D147N47-N143 PolarHBondContact ND2-O 3.3Å; N143-D147 WeakPolarHBondContact OD1-CB 3.48Å
144L86.6Confident80.4Confident58 Ų5890.5 Ų90.530%0.30449%0.485SS..  trans-75153.2-177.1-56.8177.5000110.2E45 L46 F142 N146 D147E45-L144 WeakPolarHBondContact O-CA 3.39Å; L46-L144 HydrophobicContact CD2-CD2 3.74Å; F142-L144 HydrophobicContact CB-CD2 4.2Å; L144-N146 PolarHBondContact O-N 2.86Å; L144-D147 PolarHBondContact N-OD2 3.3Å; L144-D147 WeakPolarHBondContact O-CB 3.29Å; L144-D147 PolarHBondContact O-N 2.83Å
145A82Confident79.3Confident48 Ų4897.2 Ų97.240%0.39751%0.508SS..THydrogen-bonded Turntrans-55.6-26.6-179.400000113.8E45E45-A145 PolarHBondContact O-N 2.93Å
146N76.1Confident78.7Confident99 Ų9996.6 Ų96.653%0.52952%0.515SS..THydrogen-bonded Turntrans-90.9-8.2178.7-69.9-56.6000114.8E45 L144 D148 N149E45-N146 PolarHBondContact OE1-ND2 3.17Å; L144-N146 PolarHBondContact O-N 2.86Å; N146-D148 PolarHBondContact O-N 2.88Å; N146-N149 VanDerWaalsContact O-CB 3.3Å; N146-N149 WeakPolarHBondContact O-CB 3.4Å; N146-N149 PolarHBondContact O-N 3.07Å; N146-N149 VanDerWaalsContact O-N 3.13Å
147D72.5Confident78.3Confident96 Ų9691.3 Ų91.351%0.51350%0.504SS..THydrogen-bonded Turntrans-66.8-27.8-178.1-71.2-17.2000111.9N143 L144 N149N143-D147 WeakPolarHBondContact OD1-CB 3.48Å; L144-D147 PolarHBondContact N-OD2 3.3Å; L144-D147 WeakPolarHBondContact O-CB 3.29Å; L144-D147 PolarHBondContact O-N 2.83Å; D147-N149 VanDerWaalsContact C-N 3.29Å; D147-N149 PolarHBondContact O-N 2.85Å
148D67.5Low78Confident116 Ų11692.7 Ų92.762%0.6252%0.521SS*.THydrogen-bonded Turntrans-81.7-0.7176.4-77.1-33.7000114N146 K150N146-D148 PolarHBondContact O-N 2.88Å; D148-K150 PolarHBondContact O-N 2.77Å
149N66.6Low77.8Confident85 Ų8598.1 Ų98.146%0.45554%0.54SS..  trans-74.591.2-178.9-159-6.3000110.8N146 D147 D151N146-N149 VanDerWaalsContact O-CB 3.3Å; N146-N149 WeakPolarHBondContact O-CB 3.4Å; N146-N149 PolarHBondContact O-N 3.07Å; N146-N149 VanDerWaalsContact O-N 3.13Å; D147-N149 VanDerWaalsContact C-N 3.29Å; D147-N149 PolarHBondContact O-N 2.85Å; N149-D151 PolarHBondContact O-N 2.77Å
150K62.3Low77.6Confident197 Ų197101 Ų10186%0.85756%0.56SS**  trans-72.90.4-177.9-67.1-178.5-176.3176.50114.7D148 A152D148-K150 PolarHBondContact O-N 2.77Å; K150-A152 PolarHBondContact O-N 3.36Å
151D69Low77.4Confident114 Ų114103.1 Ų103.161%0.6157%0.572SS**  trans-67.499.4174.6-85.8-23.5000109.9N149 N153 A154N149-D151 PolarHBondContact O-N 2.77Å; D151-N153 PolarHBondContact O-N 2.96Å; D151-A154 HydrophobicContact CB-CB 3.96Å; D151-A154 VanDerWaalsContact O-CB 3.24Å; D151-A154 WeakPolarHBondContact O-CB 3.43Å; D151-A154 PolarHBondContact O-N 2.88Å
152A66.4Low77.1Confident106 Ų106103 Ų10388%0.87656%0.562SS**THydrogen-bonded Turntrans-57.8-16.7174.100000113.5K150K150-A152 PolarHBondContact O-N 3.36Å
153N67.7Low76.9Confident154 Ų154100.6 Ų100.682%0.82455%0.552SS**THydrogen-bonded Turntrans-98.32.1175.5-76.6-22.5000113.9D151 K155D151-N153 PolarHBondContact O-N 2.96Å; N153-K155 PolarHBondContact O-N 2.86Å
154A66.5Low76.6Confident48 Ų4898 Ų9840%0.39754%0.538SS..  trans-60.8114.2174.600000108.8D151D151-A154 HydrophobicContact CB-CB 3.96Å; D151-A154 VanDerWaalsContact O-CB 3.24Å; D151-A154 WeakPolarHBondContact O-CB 3.43Å; D151-A154 PolarHBondContact O-N 2.88Å
155K68.8Low76.2Confident195 Ų19598 Ų9885%0.84854%0.539SS*.PPolyproline II helixtrans-64.7127.2178.5-73.3177.8179.7174.80108.1N153N153-K155 PolarHBondContact O-N 2.86Å
156P72.7Confident76.2Confident120 Ų12098 Ų9878%0.77953%0.531SS*.PPolyproline II helixtrans-55.2151.1172.221.3-30.3000109.6A158P156-A158 PolarHBondContact O-N 2.8Å
157S80.1Confident76.5Confident90 Ų9097.3 Ų97.363%0.62953%0.527SS*.PPolyproline II helixtrans-48.7133.2177.9-178.20000110.1W159S157-W159 PolarHBondContact O-N 2.8Å; S157-W159 VanDerWaalsContact O-N 3.11Å; S157-W159 WeakPolarHBondContact OG-CB 3.21Å; S157-W159 PolarHBondContact OG-N 2.68Å
158A85.4Confident77.1Confident67 Ų6795.4 Ų95.455%0.55451%0.514SS*.SBendtrans-68.4-4.9173.100000112.4K114 P156K114-A158 VanDerWaalsContact CB-O 3.32Å; K114-A158 WeakPolarHBondContact CB-O 3.43Å; K114-A158 HydrophobicContact CD-CB 3.91Å; P156-A158 PolarHBondContact O-N 2.8Å
159W90.2Very high78Confident131 Ų13192 Ų9250%0.49650%0.496SS..  trans-92.7134.4176.3-67.988.3000111.5L111 K114 V116 S157L111-W159 HydrophobicContact CB-CZ3 4.46Å; L111-W159 HydrophobicContact CD2-CZ3 4.01Å; K114-W159 HydrophobicContact CB-CD2 3.99Å; K114-W159 HydrophobicContact CB-CE3 3.96Å; K114-W159 HydrophobicContact CB-CG 4.41Å; K114-W159 HydrophobicContact CB-CZ3 4.33Å; K114-W159 CarbonylContact O-C 3.42Å; K114-W159 WeakPolarHBondContact O-CA 3.45Å; V116-W159 HydrophobicContact CG2-CE3 3.95Å; V116-W159 HydrophobicContact CG2-CZ3 4.3Å; S157-W159 PolarHBondContact O-N 2.8Å; S157-W159 VanDerWaalsContact O-N 3.11Å; S157-W159 WeakPolarHBondContact OG-CB 3.21Å; S157-W159 PolarHBondContact OG-N 2.68Å
160S89.7Confident79.2Confident60 Ų6091.9 Ų91.942%0.4249%0.493SS..EExtended strand (participates in β ladder)trans-103.8149.3166.455.40000110.6K114 T115 V116K114-S160 PolarHBondContact O-N 3.26Å; T115-S160 CarbonylContact C-O 3.53Å; T115-S160 VanDerWaalsContact CA-O 3.29Å; T115-S160 WeakPolarHBondContact CA-O 3.32Å; T115-S160 WeakPolarHBondContact CG2-OG 3.27Å; T115-S160 PolarHBondContact OG1-OG 2.86Å; V116-S160 PolarHBondContact N-O 2.98Å
161F88.7Confident80.7Confident139 Ų13983 Ų8361%0.6146%0.458SS*.EExtended strand (participates in β ladder)trans-111.3140.2173.4177.7-98.1000109.4V116 L118 L163V116-F161 HydrophobicContact CB-CD2 3.98Å; V116-F161 HydrophobicContact CG1-CD2 3.82Å; V116-F161 HydrophobicContact CG1-CE2 4.1Å; V116-F161 CarbonylContact O-C 3.59Å; V116-F161 WeakPolarHBondContact O-CA 3.41Å; L118-F161 HydrophobicContact CD1-CD2 4.47Å; L118-F161 HydrophobicContact CD1-CE2 3.63Å; L118-F161 HydrophobicContact CD1-CZ 4.21Å; L118-F161 HydrophobicContact CD2-CZ 4.49Å; F161-L163 HydrophobicContact CE1-CB 3.76Å; F161-L163 HydrophobicContact CZ-CB 4.02Å
162R86Confident82Confident83 Ų8381.2 Ų81.231%0.31344%0.442SS..EExtended strand (participates in β ladder)trans-138.7128178.7178.3-177.3160178.7-4.9109.5T115 V116 W117 L118 D164T115-R162 HydrophobicContact CG2-CB 4.17Å; V116-R162 PolarHBondContact O-N 2.86Å; W117-R162 CarbonylContact C-O 3.6Å; W117-R162 WeakPolarHBondContact CA-O 3.42Å; W117-R162 HydrophobicContact CB-CB 4.21Å; W117-R162 VanDerWaalsContact CD1-CG 3.48Å; W117-R162 VanDerWaalsContact CE2-CZ 3.43Å; W117-R162 HydrophobicContact CG-CB 4.28Å; W117-R162 HydrophobicContact CG-CG 4.18Å; W117-R162 VanDerWaalsContact CZ2-NH2 3.32Å; L118-R162 PolarHBondContact N-O 3.41Å; R162-D164 WeakPolarHBondContact CG-OD1 3.21Å; R162-D164 IonicContact CZ-OD1 3.87Å; R162-D164 IonicContact CZ-OD2 3.75Å; R162-D164 IonicContact NE-OD1 2.77Å; R162-D164 PolarHBondContact NE-OD1 2.75Å; R162-D164 IonicContact NE-OD2 2.97Å; R162-D164 IonicContact NH2-OD1 3.83Å; R162-D164 IonicContact NH2-OD2 3.68Å; R162-D164 PolarHBondContact NH2-OD2 2.89Å
163L84.7Confident83.4Confident24 Ų2478.8 Ų78.813%0.12641%0.414CS..EExtended strand (participates in β ladder)trans-127.8131172.4176.360.4000109.2L118 I121 F161 I166 L242L118-L163 HydrophobicContact CB-CD1 3.62Å; L118-L163 HydrophobicContact CD2-CD1 4.31Å; L118-L163 CarbonylContact O-C 3.53Å; L118-L163 WeakPolarHBondContact O-CA 3.29Å; I121-L163 HydrophobicContact CB-CD1 4.18Å; I121-L163 HydrophobicContact CG2-CD1 3.84Å; I121-L163 HydrophobicContact CG2-CD2 4.06Å; F161-L163 HydrophobicContact CE1-CB 3.76Å; F161-L163 HydrophobicContact CZ-CB 4.02Å; L163-I166 HydrophobicContact CD2-CD1 4.06Å; L163-I166 HydrophobicContact CD2-CG1 3.78Å; L163-I166 HydrophobicContact CG-CG1 4.4Å; L163-L242 HydrophobicContact CB-CD1 3.95Å; L163-L242 HydrophobicContact CD2-CD1 3.76Å; L163-L242 HydrophobicContact CG-CD1 3.91Å
164D80Confident84.9Confident28 Ų2872.4 Ų72.415%0.1538%0.382CS..  trans-99.1-49.8-175.1-59.221.6000111.5W117 L118 P119 R162 R243W117-D164 VanDerWaalsContact NE1-CG 3.26Å; W117-D164 PolarHBondContact NE1-OD1 3.34Å; W117-D164 PolarHBondContact NE1-OD2 2.87Å; L118-D164 PolarHBondContact O-N 2.87Å; P119-D164 WeakPolarHBondContact O-CB 3.35Å; R162-D164 WeakPolarHBondContact CG-OD1 3.21Å; R162-D164 IonicContact CZ-OD1 3.87Å; R162-D164 IonicContact CZ-OD2 3.75Å; R162-D164 IonicContact NE-OD1 2.77Å; R162-D164 PolarHBondContact NE-OD1 2.75Å; R162-D164 IonicContact NE-OD2 2.97Å; R162-D164 IonicContact NH2-OD1 3.83Å; R162-D164 IonicContact NH2-OD2 3.68Å; R162-D164 PolarHBondContact NH2-OD2 2.89Å; D164-R243 IonicContact OD1-CZ 2.83Å; D164-R243 IonicContact OD1-NH2 2.78Å; D164-R243 PolarHBondContact OD1-NH2 2.85Å; D164-R243 IonicContact OD2-CZ 3.75Å; D164-R243 IonicContact OD2-NH2 2.63Å; D164-R243 PolarHBondContact OD2-NH2 2.83Å
165N78Confident86.3Confident59 Ų5971.9 Ų71.932%0.31637%0.373SS..  trans-131.8137.8-176.3-58.5-76.2000112.2P119 W120 I121P119-N165 PolarHBondContact O-N 2.89Å; P119-N165 PolarHBondContact O-ND2 3.31Å; W120-N165 CarbonylContact C-O 3.46Å; W120-N165 VanDerWaalsContact CA-O 3.26Å; W120-N165 WeakPolarHBondContact CA-O 3.26Å; W120-N165 HydrophobicContact CB-CB 4.1Å; I121-N165 PolarHBondContact N-O 2.99Å
166I82.2Confident87.6Confident47 Ų4764.6 Ų64.624%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-110122.2166.8-58.3170.9000107.2I121 L123 L163 L242I121-I166 HydrophobicContact CG2-CB 4.13Å; I121-I166 HydrophobicContact CG2-CG1 3.76Å; I121-I166 HydrophobicContact CG2-CG2 4.14Å; I121-I166 CarbonylContact O-C 3.55Å; L123-I166 HydrophobicContact CD1-CG2 4.37Å; L163-I166 HydrophobicContact CD2-CD1 4.06Å; L163-I166 HydrophobicContact CD2-CG1 3.78Å; L163-I166 HydrophobicContact CG-CG1 4.4Å; I166-L242 HydrophobicContact CD1-CD1 4.28Å
167L82.5Confident88.6Confident85 Ų8559.4 Ų59.445%0.44531%0.309SS..EExtended strand (participates in β ladder)trans-115.1141.8179-58.7168.7000107.9W120 I121 K122 L123W120-L167 HydrophobicContact CB-CD1 4.25Å; I121-L167 PolarHBondContact O-N 3.36Å; K122-L167 CarbonylContact C-O 3.52Å; K122-L167 WeakPolarHBondContact CA-O 3.36Å; K122-L167 HydrophobicContact CB-CB 4.17Å; K122-L167 HydrophobicContact CG-CB 4.18Å; L123-L167 PolarHBondContact N-O 2.81Å
168F84.8Confident89.3Confident55 Ų5560.8 Ų60.824%0.24130%0.303CS..EExtended strand (participates in β ladder)trans-151.9158.1166.760-87.3000109.6L123 P126 V188 F217L123-F168 HydrophobicContact CB-CB 4.04Å; L123-F168 WeakPolarHBondContact O-CA 3.1Å; L123-F168 WeakPolarHBondContact O-CB 3.46Å; P126-F168 HydrophobicContact CG-CB 4.15Å; P126-F168 HydrophobicContact CG-CD2 4.48Å; P126-F168 HydrophobicContact CG-CG 4.43Å; F168-V188 HydrophobicContact CE2-CB 4.16Å; F168-V188 HydrophobicContact CE2-CG1 3.58Å; F168-V188 HydrophobicContact CZ-CG1 3.99Å; F168-F217 HydrophobicContact CD1-CZ 4.14Å; F168-F217 AromaticContact CD2-CE1 4Å; F168-F217 HydrophobicContact CD2-CE1 4Å; F168-F217 HydrophobicContact CD2-CZ 4.21Å; F168-F217 HydrophobicContact CE1-CE1 4.39Å; F168-F217 AromaticContact CE1-CE2 3.82Å; F168-F217 HydrophobicContact CE1-CE2 3.82Å; F168-F217 AromaticContact CE1-CZ 3.74Å; F168-F217 HydrophobicContact CE1-CZ 3.74Å; F168-F217 AromaticContact CE2-CD1 3.9Å; F168-F217 HydrophobicContact CE2-CD1 3.9Å; F168-F217 AromaticContact CE2-CE1 3.61Å; F168-F217 HydrophobicContact CE2-CE1 3.61Å; F168-F217 HydrophobicContact CE2-CE2 4.28Å; F168-F217 HydrophobicContact CE2-CG 4.37Å; F168-F217 AromaticContact CE2-CZ 3.82Å; F168-F217 HydrophobicContact CE2-CZ 3.82Å; F168-F217 HydrophobicContact CG-CZ 4.35Å; F168-F217 HydrophobicContact CZ-CD1 4.13Å; F168-F217 AromaticContact CZ-CD2 3.96Å; F168-F217 HydrophobicContact CZ-CD2 3.96Å; F168-F217 AromaticContact CZ-CE1 3.83Å; F168-F217 HydrophobicContact CZ-CE1 3.83Å; F168-F217 AromaticContact CZ-CE2 3.62Å; F168-F217 HydrophobicContact CZ-CE2 3.62Å; F168-F217 HydrophobicContact CZ-CG 4.19Å; F168-F217 AromaticContact CZ-CZ 3.56Å; F168-F217 HydrophobicContact CZ-CZ 3.56Å
169D85.1Confident89.5Confident45 Ų4560.3 Ų60.324%0.24129%0.293CS..SBendtrans-87.1-74.4179.659.5-18.2000110.9E124 K125 P190E124-D169 WeakPolarHBondContact CA-OD1 3.44Å; K125-D169 PolarHBondContact N-OD1 2.84Å; D169-P190 WeakPolarHBondContact O-CD 3.28Å; D169-P190 WeakPolarHBondContact O-CG 3.24Å
170Q92.1Very high89.4Confident82 Ų8255.8 Ų55.838%0.38328%0.282SS..  trans-120.4158.4176-57.9-178.8-66.100108.5K125 P126 V188 D189K125-Q170 VanDerWaalsContact CA-O 3.25Å; K125-Q170 WeakPolarHBondContact CA-O 3.48Å; K125-Q170 HydrophobicContact CG-CB 4.39Å; P126-Q170 WeakPolarHBondContact CD-O 3.39Å; Q170-V188 CarbonylContact C-O 3.57Å; Q170-V188 WeakPolarHBondContact CA-O 3.37Å; Q170-D189 PolarHBondContact NE2-OD1 2.83Å
171G93.8Very high89.4Confident11 Ų1159.3 Ų59.311%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-146.1153.3177.100000111.8P126 F187 V188P126-G171 CarbonylContact O-C 3.51Å; P126-G171 WeakPolarHBondContact O-CA 3.31Å; G171-F187 WeakPolarHBondContact O-CA 3.49Å; G171-V188 PolarHBondContact N-O 3.01Å; G171-V188 PolarHBondContact O-N 3.29Å
172R96.8Very high89.7Confident77 Ų7753 Ų5329%0.29126%0.263SS..EExtended strand (participates in β ladder)trans-125.5131.9169.9-176.3-176.2177.3-161.65.5108.8P126 D127 A128 E185 I186 F187P126-R172 PolarHBondContact O-N 2.77Å; D127-R172 WeakPolarHBondContact CA-O 3.31Å; D127-R172 IonicContact OD2-NH1 3.78Å; D127-R172 PolarHBondContact OD2-NH1 3Å; A128-R172 PolarHBondContact N-O 3.28Å; R172-E185 IonicContact CZ-OE1 2.9Å; R172-E185 IonicContact NE-OE1 2.66Å; R172-E185 IonicContact NH2-OE1 3.3Å; R172-E185 PolarHBondContact NH2-OE1 2.82Å; R172-I186 CarbonylContact C-O 3.48Å; R172-I186 WeakPolarHBondContact CA-O 3.38Å; R172-F187 HydrophobicContact CG-CD1 4.37Å; R172-F187 HydrophobicContact CG-CE1 4.09Å
173I96.3Very high90.1Very high55 Ų5553.7 Ų53.728%0.28227%0.273SS..EExtended strand (participates in β ladder)trans-123.5112.8173.7-53.8166000106.8A128 L130 I175 E185 I186 V188A128-I173 CarbonylContact O-C 3.57Å; A128-I173 VanDerWaalsContact O-CA 3.26Å; A128-I173 WeakPolarHBondContact O-CA 3.34Å; L130-I173 HydrophobicContact CD1-CG2 4.03Å; L130-I173 HydrophobicContact CG-CG2 4.28Å; I173-I175 HydrophobicContact CG2-CG1 4.08Å; I173-E185 CarbonylContact O-C 3.58Å; I173-E185 WeakPolarHBondContact O-CA 3.35Å; I173-I186 HydrophobicContact CB-CB 4.26Å; I173-I186 PolarHBondContact N-O 3.11Å; I173-I186 PolarHBondContact O-N 2.8Å; I173-V188 HydrophobicContact CD1-CG2 4.33Å
174A97.6Very high90.7Very high19 Ų1953.6 Ų53.616%0.15727%0.272CS..EExtended strand (participates in β ladder)trans-96.3133.7168.900000109.1A128 R129 L130 L184A128-A174 PolarHBondContact O-N 3.04Å; R129-A174 CarbonylContact C-O 3.43Å; R129-A174 WeakPolarHBondContact CA-O 3.5Å; R129-A174 HydrophobicContact CG-CB 4.22Å; L130-A174 PolarHBondContact N-O 2.93Å; A174-L184 CarbonylContact C-O 3.56Å; A174-L184 WeakPolarHBondContact CA-O 3.36Å
175I96.4Very high91.5Very high38 Ų3854.8 Ų54.820%0.19528%0.277CS..EExtended strand (participates in β ladder)trans-120.6119.7179.7-56.9175.6000107.7L130 I173 D177 D183 L184 I186L130-I175 HydrophobicContact CB-CG1 4.44Å; L130-I175 CarbonylContact O-C 3.57Å; L130-I175 WeakPolarHBondContact O-CA 3.47Å; I173-I175 HydrophobicContact CG2-CG1 4.08Å; I175-D177 HydrophobicContact CG2-CB 4.24Å; I175-D183 CarbonylContact O-C 3.53Å; I175-D183 WeakPolarHBondContact O-CA 3.43Å; I175-L184 HydrophobicContact CB-CB 4.33Å; I175-L184 PolarHBondContact N-O 2.77Å; I175-L184 PolarHBondContact O-N 2.85Å; I175-I186 HydrophobicContact CD1-CD1 3.93Å
176D95.7Very high92.4Very high41 Ų4153.8 Ų53.822%0.21927%0.271CS..EExtended strand (participates in β ladder)trans-118.3100.9167-175.1-1.1000109.1L130 I131 R132 K178L130-D176 PolarHBondContact O-N 3.12Å; I131-D176 CarbonylContact C-O 3.58Å; I131-D176 VanDerWaalsContact CA-O 3.26Å; I131-D176 WeakPolarHBondContact CA-O 3.25Å; I131-D176 HydrophobicContact CG1-CB 4.49Å; R132-D176 PolarHBondContact N-O 2.77Å; D176-K178 VanDerWaalsContact OD1-CE 3.3Å; D176-K178 WeakPolarHBondContact OD1-CE 3.21Å; D176-K178 IonicContact OD1-NZ 3.76Å; D176-K178 PolarHBondContact OD1-NZ 2.64Å; D176-K178 IonicContact OD2-NZ 2.64Å; D176-K178 PolarHBondContact OD2-NZ 3.41Å
177D95Very high93.1Very high12 Ų1254.4 Ų54.46%0.06427%0.272CS..EExtended strand (participates in β ladder)trans-120.5104.8-177.4-178.85.6000110.8R132 I175 V179 S180 K181 A182R132-D177 IonicContact CZ-OD1 3.88Å; R132-D177 IonicContact CZ-OD2 3.59Å; R132-D177 VanDerWaalsContact NE-CG 3.33Å; R132-D177 IonicContact NE-OD1 3.24Å; R132-D177 PolarHBondContact NE-OD1 2.84Å; R132-D177 IonicContact NE-OD2 2.84Å; R132-D177 PolarHBondContact NE-OD2 2.85Å; R132-D177 IonicContact NH2-OD1 2.68Å; R132-D177 PolarHBondContact NH2-OD1 2.82Å; R132-D177 IonicContact NH2-OD2 3.73Å; R132-D177 PolarHBondContact NH2-OD2 3.38Å; I175-D177 HydrophobicContact CG2-CB 4.24Å; D177-V179 VanDerWaalsContact C-N 3.27Å; D177-V179 PolarHBondContact O-N 3Å; D177-V179 WeakPolarHBondContact OD1-CB 3.33Å; D177-V179 PolarHBondContact OD1-N 3.33Å; D177-S180 PolarHBondContact OD1-N 2.86Å; D177-S180 VanDerWaalsContact OD2-CB 3.3Å; D177-S180 WeakPolarHBondContact OD2-CB 3.49Å; D177-S180 PolarHBondContact OD2-OG 2.97Å; D177-K181 CarbonylContact O-C 3.13Å; D177-K181 WeakPolarHBondContact O-CA 3.49Å; D177-K181 PolarHBondContact O-N 2.86Å; D177-A182 HydrophobicContact CB-CB 4.26Å; D177-A182 PolarHBondContact N-O 2.81Å; D177-A182 PolarHBondContact O-N 2.78Å
178K93.5Very high93.7Very high118 Ų11850.7 Ų50.751%0.51325%0.253SS..THydrogen-bonded Turntrans-71.9-21.3178.9-57.8-51.9-176.4-147.20113.1R132 L133 D176R132-K178 PolarHBondContact O-N 2.77Å; L133-K178 HydrophobicContact CD2-CG 4.29Å; D176-K178 VanDerWaalsContact OD1-CE 3.3Å; D176-K178 WeakPolarHBondContact OD1-CE 3.21Å; D176-K178 IonicContact OD1-NZ 3.76Å; D176-K178 PolarHBondContact OD1-NZ 2.64Å; D176-K178 IonicContact OD2-NZ 2.64Å; D176-K178 PolarHBondContact OD2-NZ 3.41Å
179V90.2Very high94.1Very high57 Ų5751.1 Ų51.135%0.34526%0.258SS..THydrogen-bonded Turntrans-76.1-49.1179.6178.10000110.2R132 E135 D177 K181R132-V179 HydrophobicContact CG-CG2 3.89Å; E135-V179 WeakPolarHBondContact OE1-CG1 3.28Å; D177-V179 VanDerWaalsContact C-N 3.27Å; D177-V179 PolarHBondContact O-N 3Å; D177-V179 WeakPolarHBondContact OD1-CB 3.33Å; D177-V179 PolarHBondContact OD1-N 3.33Å; V179-K181 VanDerWaalsContact C-N 3.35Å
180S87.7Confident94.4Very high36 Ų3652.1 Ų52.125%0.25227%0.267SS..THydrogen-bonded Turntrans-88-2.2176.470.80000114D177 A182D177-S180 PolarHBondContact OD1-N 2.86Å; D177-S180 VanDerWaalsContact OD2-CB 3.3Å; D177-S180 WeakPolarHBondContact OD2-CB 3.49Å; D177-S180 PolarHBondContact OD2-OG 2.97Å; S180-A182 VanDerWaalsContact C-N 3.29Å; S180-A182 PolarHBondContact O-N 2.75Å; S180-A182 WeakPolarHBondContact OG-CB 3.2Å
181K91Very high94.4Very high135 Ų13551 Ų5159%0.58726%0.263SS*.THydrogen-bonded Turntrans54.244.7-174.5-57.7166.5179.4175.80112.1D177 V179 N226D177-K181 CarbonylContact O-C 3.13Å; D177-K181 WeakPolarHBondContact O-CA 3.49Å; D177-K181 PolarHBondContact O-N 2.86Å; V179-K181 VanDerWaalsContact C-N 3.35Å; K181-N226 WeakPolarHBondContact CD-OD1 3.37Å; K181-N226 PolarHBondContact NZ-OD1 2.96Å; K181-N226 PolarHBondContact O-N 2.78Å
182A93.4Very high94Very high6 Ų654.1 Ų54.15%0.0530%0.296CS..EExtended strand (participates in β ladder)trans-104.1131.8177.800000110.5D177 S180 L184 Y225D177-A182 HydrophobicContact CB-CB 4.26Å; D177-A182 PolarHBondContact N-O 2.81Å; D177-A182 PolarHBondContact O-N 2.78Å; S180-A182 VanDerWaalsContact C-N 3.29Å; S180-A182 PolarHBondContact O-N 2.75Å; S180-A182 WeakPolarHBondContact OG-CB 3.2Å; A182-L184 HydrophobicContact CB-CD1 4.08Å; A182-L184 HydrophobicContact CB-CG 4.27Å; A182-Y225 HydrophobicContact CB-CD2 3.9Å; A182-Y225 HydrophobicContact CB-CE2 4.43Å
183D96.1Very high93.5Very high97 Ų9758.4 Ų58.452%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-132.996171.4177.711.4000107.2I175 G223 R224I175-D183 CarbonylContact O-C 3.53Å; I175-D183 WeakPolarHBondContact O-CA 3.43Å; D183-G223 CarbonylContact O-C 3.57Å; D183-G223 VanDerWaalsContact O-CA 3.3Å; D183-G223 WeakPolarHBondContact O-CA 3.46Å; D183-R224 PolarHBondContact N-O 2.88Å; D183-R224 PolarHBondContact O-N 2.94Å
184L95.5Very high93.2Very high22 Ų2258.5 Ų58.512%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-133.9142.7-164.3-58.4172.6000111.7A174 I175 A182 R224 L230A174-L184 CarbonylContact C-O 3.56Å; A174-L184 WeakPolarHBondContact CA-O 3.36Å; I175-L184 HydrophobicContact CB-CB 4.33Å; I175-L184 PolarHBondContact N-O 2.77Å; I175-L184 PolarHBondContact O-N 2.85Å; A182-L184 HydrophobicContact CB-CD1 4.08Å; A182-L184 HydrophobicContact CB-CG 4.27Å; L184-R224 WeakPolarHBondContact CD2-O 3.4Å; L184-L230 HydrophobicContact CD2-CB 3.99Å; L184-L230 HydrophobicContact CD2-CD1 4.13Å; L184-L230 HydrophobicContact CD2-CD2 3.91Å; L184-L230 HydrophobicContact CD2-CG 4.22Å
185E97.7Very high92.8Very high54 Ų5459.9 Ų59.925%0.25233%0.325SS..EExtended strand (participates in β ladder)trans-115.3129.1166-64.8-171.1155.600110R172 I173 F187 A221 Q222R172-E185 IonicContact CZ-OE1 2.9Å; R172-E185 IonicContact NE-OE1 2.66Å; R172-E185 IonicContact NH2-OE1 3.3Å; R172-E185 PolarHBondContact NH2-OE1 2.82Å; I173-E185 CarbonylContact O-C 3.58Å; I173-E185 WeakPolarHBondContact O-CA 3.35Å; E185-F187 HydrophobicContact CB-CE2 3.99Å; E185-F187 HydrophobicContact CB-CZ 4.29Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.05Å; E185-A221 CarbonylContact O-C 3.54Å; E185-A221 VanDerWaalsContact O-CA 3.3Å; E185-A221 WeakPolarHBondContact O-CA 3.36Å; E185-Q222 HydrophobicContact CB-CG 4.32Å; E185-Q222 PolarHBondContact N-O 2.81Å; E185-Q222 PolarHBondContact O-N 2.87Å
186I97.1Very high92.6Very high37 Ų3760.3 Ų60.319%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-116.9119.9175.5-53.3172.7000108.1R172 I173 I175 V188 L219 K220 A221R172-I186 CarbonylContact C-O 3.48Å; R172-I186 WeakPolarHBondContact CA-O 3.38Å; I173-I186 HydrophobicContact CB-CB 4.26Å; I173-I186 PolarHBondContact N-O 3.11Å; I173-I186 PolarHBondContact O-N 2.8Å; I175-I186 HydrophobicContact CD1-CD1 3.93Å; I186-V188 HydrophobicContact CG2-CG2 4.46Å; I186-L219 HydrophobicContact CG2-CD2 4.28Å; I186-K220 CarbonylContact C-O 3.49Å; I186-K220 WeakPolarHBondContact CA-O 3.46Å; I186-A221 HydrophobicContact CG1-CB 4.17Å
187F97.5Very high92.3Very high61 Ų6160.2 Ų60.227%0.26833%0.328SS..EExtended strand (participates in β ladder)trans-97.1134.9170.9-58.1-86.1000108.9G171 R172 E185 L219 K220 Q222G171-F187 WeakPolarHBondContact O-CA 3.49Å; R172-F187 HydrophobicContact CG-CD1 4.37Å; R172-F187 HydrophobicContact CG-CE1 4.09Å; E185-F187 HydrophobicContact CB-CE2 3.99Å; E185-F187 HydrophobicContact CB-CZ 4.29Å; E185-F187 WeakPolarHBondContact OE2-CZ 3.05Å; F187-L219 CarbonylContact O-C 3.48Å; F187-L219 VanDerWaalsContact O-CA 3.32Å; F187-L219 WeakPolarHBondContact O-CA 3.11Å; F187-K220 HydrophobicContact CB-CB 4.44Å; F187-K220 PolarHBondContact N-O 2.78Å; F187-K220 PolarHBondContact O-N 2.76Å; F187-Q222 HydrophobicContact CE2-CG 4.38Å
188V94.8Very high91.9Very high6 Ų662 Ų624%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-117120.4178.7-167.80000107.7F168 Q170 G171 I173 I186 F217 G218 L219F168-V188 HydrophobicContact CE2-CB 4.16Å; F168-V188 HydrophobicContact CE2-CG1 3.58Å; F168-V188 HydrophobicContact CZ-CG1 3.99Å; Q170-V188 CarbonylContact C-O 3.57Å; Q170-V188 WeakPolarHBondContact CA-O 3.37Å; G171-V188 PolarHBondContact N-O 3.01Å; G171-V188 PolarHBondContact O-N 3.29Å; I173-V188 HydrophobicContact CD1-CG2 4.33Å; I186-V188 HydrophobicContact CG2-CG2 4.46Å; V188-F217 HydrophobicContact CG1-CB 3.75Å; V188-F217 HydrophobicContact CG1-CD1 4.1Å; V188-F217 HydrophobicContact CG1-CG 4.02Å; V188-G218 WeakPolarHBondContact CA-O 3.33Å; V188-L219 HydrophobicContact CB-CD2 4.06Å; V188-L219 HydrophobicContact CG1-CD2 3.75Å; V188-L219 HydrophobicContact CG2-CD2 3.62Å
189D93.7Very high91.7Very high65 Ų6562.8 Ų62.835%0.34835%0.347SS..EExtended strand (participates in β ladder)trans-124.9146.1-179.7-73.3-62.8000110.1Q170 F217 G218Q170-D189 PolarHBondContact NE2-OD1 2.83Å; D189-F217 CarbonylContact O-C 2.92Å; D189-F217 VanDerWaalsContact O-CA 3.29Å; D189-F217 WeakPolarHBondContact O-CA 3.47Å; D189-G218 PolarHBondContact N-O 3.04Å; D189-G218 PolarHBondContact O-N 3.15Å
190P91.5Very high91.6Very high65 Ų6562 Ų6242%0.42234%0.343SS..EExtended strand (participates in β ladder)trans-73.3137.617529.4-23.3000109.2D169 G192 F217D169-P190 WeakPolarHBondContact O-CD 3.28Å; D169-P190 WeakPolarHBondContact O-CG 3.24Å; P190-G192 PolarHBondContact O-N 3.08Å; P190-G192 VanDerWaalsContact O-N 3.14Å; P190-F217 HydrophobicContact CB-CD1 4.41Å; P190-F217 HydrophobicContact CB-CE1 4.47Å
191L90.3Very high91.6Very high58 Ų5860.9 Ų60.930%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-71-5.1179.1-65.4172.8000113.3K193 L195 V216 K235L191-K193 PolarHBondContact O-N 3.26Å; L191-L195 HydrophobicContact CD1-CD1 3.97Å; L191-L195 HydrophobicContact CD1-CG 4.14Å; L191-V216 WeakPolarHBondContact CB-O 3.3Å; L191-V216 WeakPolarHBondContact CG-O 3.22Å; L191-V216 PolarHBondContact N-O 2.81Å; L191-K235 HydrophobicContact CD1-CD 4.16Å; L191-K235 HydrophobicContact CD1-CG 4.43Å
192G86.8Confident91.2Very high78 Ų7857 Ų5780%0.80433%0.332SS*.EExtended strand (participates in β ladder)trans75.8-61-172.500000112.2P190P190-G192 PolarHBondContact O-N 3.08Å; P190-G192 VanDerWaalsContact O-N 3.14Å
193K86.7Confident90Very high167 Ų16759.8 Ų59.873%0.72635%0.352SS*.EExtended strand (participates in β ladder)trans-106.5128.5171.5-170.4-176.4176.8-172.70110L191 L195L191-K193 PolarHBondContact O-N 3.26Å; K193-L195 PolarHBondContact O-N 3.29Å
194P89Confident88.1Confident57 Ų5765.4 Ų65.437%0.3737%0.371SS..EExtended strand (participates in β ladder)trans-54.8135.1170.5-25.334.6000111.5D214 Y215 V216P194-D214 HydrophobicContact CB-CB 3.77Å; P194-Y215 CarbonylContact C-O 3.53Å; P194-Y215 VanDerWaalsContact CA-O 3.29Å; P194-Y215 WeakPolarHBondContact CA-O 3.48Å; P194-V216 HydrophobicContact CB-CG2 4.22Å; P194-V216 HydrophobicContact CG-CG2 4.36Å
195L90.5Very high85.9Confident47 Ų4766.9 Ų66.925%0.24639%0.392CS..EExtended strand (participates in β ladder)trans-100.7122.2176.4-66.2178.7000109.6L191 K193 V200 Y215 K235L191-L195 HydrophobicContact CD1-CD1 3.97Å; L191-L195 HydrophobicContact CD1-CG 4.14Å; K193-L195 PolarHBondContact O-N 3.29Å; L195-V200 HydrophobicContact CB-CG2 4.25Å; L195-Y215 PolarHBondContact N-O 2.77Å; L195-Y215 PolarHBondContact O-N 2.96Å; L195-K235 HydrophobicContact CD1-CD 3.97Å
196P90.3Very high83.5Confident48 Ų4873 Ų7331%0.31242%0.418SS..PPolyproline II helixtrans-57.8139.5177.7-2634.6000112.9S198 E199 V200 D214P196-S198 PolarHBondContact O-N 2.93Å; P196-S198 VanDerWaalsContact O-N 3.14Å; P196-E199 HydrophobicContact CB-CB 4.36Å; P196-E199 WeakPolarHBondContact CD-OE2 3.3Å; P196-E199 WeakPolarHBondContact O-CB 3.3Å; P196-E199 PolarHBondContact O-N 3.31Å; P196-V200 PolarHBondContact O-N 3.16Å; P196-D214 WeakPolarHBondContact CA-OD1 3.41Å
197F89.4Confident81Confident38 Ų3876 Ų7617%0.16745%0.448CS..Hα-helixtrans-51.1-42.2179.3177.7-103.8000113.2E199 V200 T201 V212 Y215 P250 V267F197-E199 VanDerWaalsContact C-N 3.31Å; F197-E199 PolarHBondContact O-N 3.1Å; F197-V200 PolarHBondContact O-N 2.77Å; F197-T201 HydrophobicContact CD1-CG2 4.38Å; F197-T201 HydrophobicContact CD2-CG2 4Å; F197-T201 HydrophobicContact CE1-CG2 3.96Å; F197-T201 HydrophobicContact CE2-CG2 3.54Å; F197-T201 HydrophobicContact CG-CG2 4.41Å; F197-T201 HydrophobicContact CZ-CG2 3.52Å; F197-T201 WeakPolarHBondContact O-CG2 3.45Å; F197-T201 PolarHBondContact O-N 2.88Å; F197-T201 VanDerWaalsContact O-N 3.09Å; F197-T201 PolarHBondContact O-OG1 2.87Å; F197-V212 HydrophobicContact CB-CB 4.48Å; F197-V212 HydrophobicContact CB-CG1 4.08Å; F197-V212 HydrophobicContact CD1-CB 4.34Å; F197-V212 HydrophobicContact CD1-CG1 4.16Å; F197-V212 HydrophobicContact CD2-CG1 3.64Å; F197-V212 HydrophobicContact CE2-CG1 4.05Å; F197-V212 HydrophobicContact CG-CB 4.24Å; F197-V212 HydrophobicContact CG-CG1 3.68Å; F197-V212 HydrophobicContact CZ-CG1 4.47Å; F197-Y215 HydrophobicContact CB-CE2 4.48Å; F197-Y215 AromaticContact CD2-CE2 3.81Å; F197-Y215 HydrophobicContact CD2-CE2 3.81Å; F197-Y215 AromaticContact CD2-CZ 3.98Å; F197-P250 HydrophobicContact CD2-CB 3.73Å; F197-P250 HydrophobicContact CE2-CB 4.24Å; F197-V267 HydrophobicContact CE2-CG1 3.89Å; F197-V267 HydrophobicContact CZ-CG1 3.92Å
198S88Confident78.9Confident49 Ų4979.1 Ų79.134%0.34347%0.467SS..Hα-helixtrans-69.8-24.1-179.757.10000114.5P196 G202P196-S198 PolarHBondContact O-N 2.93Å; P196-S198 VanDerWaalsContact O-N 3.14Å; S198-G202 WeakPolarHBondContact O-CA 3.48Å; S198-G202 PolarHBondContact O-N 2.84Å; S198-G202 VanDerWaalsContact O-N 3.09Å
199E89Confident76.9Confident136 Ų13684.2 Ų84.264%0.63649%0.489SS*.Hα-helixtrans-72.1-38.6178.2-170.9174161.400110.5P196 F197P196-E199 HydrophobicContact CB-CB 4.36Å; P196-E199 WeakPolarHBondContact CD-OE2 3.3Å; P196-E199 WeakPolarHBondContact O-CB 3.3Å; P196-E199 PolarHBondContact O-N 3.31Å; F197-E199 VanDerWaalsContact C-N 3.31Å; F197-E199 PolarHBondContact O-N 3.1Å
200V88.7Confident75.1Confident41 Ų4190.2 Ų90.225%0.24852%0.515CS..Hα-helixtrans-77.5-43178.9-179.50000111.9L195 P196 F197 Y215 K235 Q252L195-V200 HydrophobicContact CB-CG2 4.25Å; P196-V200 PolarHBondContact O-N 3.16Å; F197-V200 PolarHBondContact O-N 2.77Å; V200-Y215 HydrophobicContact CB-CD2 3.97Å; V200-Y215 HydrophobicContact CB-CE2 3.55Å; V200-Y215 HydrophobicContact CG1-CD2 4.47Å; V200-Y215 HydrophobicContact CG1-CE2 3.9Å; V200-Y215 HydrophobicContact CG2-CD2 3.51Å; V200-Y215 HydrophobicContact CG2-CE2 3.68Å; V200-Y215 HydrophobicContact CG2-CG 4.36Å; V200-K235 HydrophobicContact CG2-CD 4.45Å; V200-Q252 HydrophobicContact CG1-CB 4.14Å; V200-Q252 HydrophobicContact CG1-CG 3.82Å
201T87Confident74.2Confident11 Ų1194.6 Ų94.67%0.06753%0.527CS..Hα-helixtrans-84-12.9-176.161.20000114F197 S203 D265F197-T201 HydrophobicContact CD1-CG2 4.38Å; F197-T201 HydrophobicContact CD2-CG2 4Å; F197-T201 HydrophobicContact CE1-CG2 3.96Å; F197-T201 HydrophobicContact CE2-CG2 3.54Å; F197-T201 HydrophobicContact CG-CG2 4.41Å; F197-T201 HydrophobicContact CZ-CG2 3.52Å; F197-T201 WeakPolarHBondContact O-CG2 3.45Å; F197-T201 PolarHBondContact O-N 2.88Å; F197-T201 VanDerWaalsContact O-N 3.09Å; F197-T201 PolarHBondContact O-OG1 2.87Å; T201-S203 PolarHBondContact O-N 3.41Å; T201-S203 PolarHBondContact OG1-OG 3.03Å; T201-D265 WeakPolarHBondContact CB-OD2 3.19Å; T201-D265 HydrophobicContact CG2-CB 4.11Å; T201-D265 VanDerWaalsContact CG2-OD2 3.22Å; T201-D265 WeakPolarHBondContact CG2-OD2 3.32Å
202G82.6Confident73.8Confident54 Ų5492.7 Ų92.756%0.55752%0.518SS*.  trans689.3-176.200000114.5S198 K204S198-G202 WeakPolarHBondContact O-CA 3.48Å; S198-G202 PolarHBondContact O-N 2.84Å; S198-G202 VanDerWaalsContact O-N 3.09Å; G202-K204 VanDerWaalsContact C-N 3.34Å; G202-K204 PolarHBondContact O-N 3.07Å
203S68.9Low73.7Confident65 Ų6590.7 Ų90.746%0.45550%0.497SS..  trans-71.181.9-177-65.10000111.9T201 G205T201-S203 PolarHBondContact O-N 3.41Å; T201-S203 PolarHBondContact OG1-OG 3.03Å; S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 3.24Å
204K55.6Low73.8Confident214 Ų21486.3 Ų86.393%0.9348%0.482SS*.  trans-7773170.4-66.6-175.2-178.6-179.90110.7G202G202-K204 VanDerWaalsContact C-N 3.34Å; G202-K204 PolarHBondContact O-N 3.07Å
205G48.4Very low73.9Confident53 Ų5383.6 Ų83.655%0.54646%0.464SS..SBendtrans119.267.6151.500000120.7S203S203-G205 VanDerWaalsContact C-N 3.27Å; S203-G205 PolarHBondContact O-N 3.24Å
206K47.2Very low73.9Confident184 Ų18483.4 Ų83.480%0.847%0.465SS*.  trans-139.9154.8153.8-77.7-169.3177.91770112.1D208K206-D208 PolarHBondContact O-N 3.46Å
207A45.4Very low74Confident99 Ų9981.7 Ų81.782%0.81845%0.452SS*.G310 helixtrans-63.10.4-164.600000117.7K209A207-K209 PolarHBondContact O-N 2.89Å
208D52.4Low74.3Confident127 Ų12780.5 Ų80.568%0.67945%0.451SS*.G310 helixtrans-78.21.2175.2-69.9-40.5000113.5K206 E210K206-D208 PolarHBondContact O-N 3.46Å; D208-E210 PolarHBondContact O-N 2.8Å
209K52.9Low74.7Confident112 Ų11279.9 Ų79.949%0.48744%0.444SS..G310 helixtrans-59.1-34.9-178.7-76.6-176.8178.4-169.90115.1A207 K211A207-K209 PolarHBondContact O-N 2.89Å; K209-K211 VanDerWaalsContact C-N 3.32Å; K209-K211 PolarHBondContact O-N 3.48Å
210E56.7Low75.1Confident191 Ų19179 Ų7989%0.89344%0.438SS*.G310 helixtrans-78.8-14.4-168.3-73.5-175.2171.300114.1D208D208-E210 PolarHBondContact O-N 2.8Å
211K73Confident75.5Confident158 Ų15877.4 Ų77.469%0.68743%0.428SS*.THydrogen-bonded Turntrans-105.6-17.4-176-67-173.6179.4-178.40114.7K209K209-K211 VanDerWaalsContact C-N 3.32Å; K209-K211 PolarHBondContact O-N 3.48Å
212V81.9Confident76Confident18 Ų1880.6 Ų80.611%0.10944%0.442CS..SBendtrans-89.9123.7-176.9-170.10000109.2F197 P248 P250 V267F197-V212 HydrophobicContact CB-CB 4.48Å; F197-V212 HydrophobicContact CB-CG1 4.08Å; F197-V212 HydrophobicContact CD1-CB 4.34Å; F197-V212 HydrophobicContact CD1-CG1 4.16Å; F197-V212 HydrophobicContact CD2-CG1 3.64Å; F197-V212 HydrophobicContact CE2-CG1 4.05Å; F197-V212 HydrophobicContact CG-CB 4.24Å; F197-V212 HydrophobicContact CG-CG1 3.68Å; F197-V212 HydrophobicContact CZ-CG1 4.47Å; V212-P248 HydrophobicContact CG2-CB 4.06Å; V212-P248 HydrophobicContact CG2-CG 4.15Å; V212-P250 HydrophobicContact CG1-CB 3.87Å; V212-P250 HydrophobicContact CG1-CG 4.38Å; V212-V267 HydrophobicContact CB-CG1 4.5Å; V212-V267 HydrophobicContact CG1-CG1 3.65Å; V212-V267 HydrophobicContact CG2-CG1 3.95Å
213G83.5Confident76.7Confident35 Ų3579.5 Ų79.536%0.36143%0.432SS..PPolyproline II helixtrans-68173.6178.700000113.9P250G213-P250 WeakPolarHBondContact O-CG 3.09Å
214D88.6Confident77.9Confident75 Ų7583.9 Ų83.940%0.40144%0.438SS..PPolyproline II helixtrans-80.3153174.5-66.4-20.4000111.6P194 P196 G237P194-D214 HydrophobicContact CB-CB 3.77Å; P196-D214 WeakPolarHBondContact CA-OD1 3.41Å; D214-G237 WeakPolarHBondContact O-CA 3.12Å
215Y91.3Very high79.5Confident0 Ų076 Ų760%040%0.403CS..EExtended strand (participates in β ladder)trans-71.2128.2165.4-64.8-81.6000109.3P194 L195 F197 V200 K235 P250 V251 Q252P194-Y215 CarbonylContact C-O 3.53Å; P194-Y215 VanDerWaalsContact CA-O 3.29Å; P194-Y215 WeakPolarHBondContact CA-O 3.48Å; L195-Y215 PolarHBondContact N-O 2.77Å; L195-Y215 PolarHBondContact O-N 2.96Å; F197-Y215 HydrophobicContact CB-CE2 4.48Å; F197-Y215 AromaticContact CD2-CE2 3.81Å; F197-Y215 HydrophobicContact CD2-CE2 3.81Å; F197-Y215 AromaticContact CD2-CZ 3.98Å; V200-Y215 HydrophobicContact CB-CD2 3.97Å; V200-Y215 HydrophobicContact CB-CE2 3.55Å; V200-Y215 HydrophobicContact CG1-CD2 4.47Å; V200-Y215 HydrophobicContact CG1-CE2 3.9Å; V200-Y215 HydrophobicContact CG2-CD2 3.51Å; V200-Y215 HydrophobicContact CG2-CE2 3.68Å; V200-Y215 HydrophobicContact CG2-CG 4.36Å; Y215-K235 HydrophobicContact CD1-CB 3.54Å; Y215-K235 HydrophobicContact CE1-CB 4.16Å; Y215-K235 HydrophobicContact CG-CB 4.05Å; Y215-P250 HydrophobicContact CD1-CB 4.22Å; Y215-P250 HydrophobicContact CE1-CB 3.8Å; Y215-P250 HydrophobicContact CE2-CB 4.26Å; Y215-V251 PolarHBondContact OH-O 2.88Å; Y215-Q252 HydrophobicContact CE1-CB 3.86Å
216V91.2Very high81.3Confident43 Ų4375.3 Ų75.326%0.26139%0.387SS..EExtended strand (participates in β ladder)trans-122.2-25.9-177.6-178.20000111.7L191 P194 I236 G238L191-V216 WeakPolarHBondContact CB-O 3.3Å; L191-V216 WeakPolarHBondContact CG-O 3.22Å; L191-V216 PolarHBondContact N-O 2.81Å; P194-V216 HydrophobicContact CB-CG2 4.22Å; P194-V216 HydrophobicContact CG-CG2 4.36Å; V216-I236 PolarHBondContact N-O 3.49Å; V216-G238 VanDerWaalsContact CB-CA 3.43Å
217F92.9Very high83.1Confident12 Ų1269.2 Ų69.25%0.05338%0.376CS..EExtended strand (participates in β ladder)trans-115.2139.6180-59-72.6000111.5F168 V188 D189 P190 K235 I236F168-F217 HydrophobicContact CD1-CZ 4.14Å; F168-F217 AromaticContact CD2-CE1 4Å; F168-F217 HydrophobicContact CD2-CE1 4Å; F168-F217 HydrophobicContact CD2-CZ 4.21Å; F168-F217 HydrophobicContact CE1-CE1 4.39Å; F168-F217 AromaticContact CE1-CE2 3.82Å; F168-F217 HydrophobicContact CE1-CE2 3.82Å; F168-F217 AromaticContact CE1-CZ 3.74Å; F168-F217 HydrophobicContact CE1-CZ 3.74Å; F168-F217 AromaticContact CE2-CD1 3.9Å; F168-F217 HydrophobicContact CE2-CD1 3.9Å; F168-F217 AromaticContact CE2-CE1 3.61Å; F168-F217 HydrophobicContact CE2-CE1 3.61Å; F168-F217 HydrophobicContact CE2-CE2 4.28Å; F168-F217 HydrophobicContact CE2-CG 4.37Å; F168-F217 AromaticContact CE2-CZ 3.82Å; F168-F217 HydrophobicContact CE2-CZ 3.82Å; F168-F217 HydrophobicContact CG-CZ 4.35Å; F168-F217 HydrophobicContact CZ-CD1 4.13Å; F168-F217 AromaticContact CZ-CD2 3.96Å; F168-F217 HydrophobicContact CZ-CD2 3.96Å; F168-F217 AromaticContact CZ-CE1 3.83Å; F168-F217 HydrophobicContact CZ-CE1 3.83Å; F168-F217 AromaticContact CZ-CE2 3.62Å; F168-F217 HydrophobicContact CZ-CE2 3.62Å; F168-F217 HydrophobicContact CZ-CG 4.19Å; F168-F217 AromaticContact CZ-CZ 3.56Å; F168-F217 HydrophobicContact CZ-CZ 3.56Å; V188-F217 HydrophobicContact CG1-CB 3.75Å; V188-F217 HydrophobicContact CG1-CD1 4.1Å; V188-F217 HydrophobicContact CG1-CG 4.02Å; D189-F217 CarbonylContact O-C 2.92Å; D189-F217 VanDerWaalsContact O-CA 3.29Å; D189-F217 WeakPolarHBondContact O-CA 3.47Å; P190-F217 HydrophobicContact CB-CD1 4.41Å; P190-F217 HydrophobicContact CB-CE1 4.47Å; F217-K235 CarbonylContact O-C 3.59Å; F217-K235 WeakPolarHBondContact O-CA 3.17Å; F217-I236 HydrophobicContact CB-CD1 4.42Å; F217-I236 HydrophobicContact CB-CG1 3.79Å; F217-I236 HydrophobicContact CD2-CG1 4.36Å; F217-I236 PolarHBondContact N-O 2.76Å; F217-I236 VanDerWaalsContact N-O 3.15Å; F217-I236 PolarHBondContact O-N 3.27Å
218G95.1Very high85.1Confident13 Ų1367.4 Ų67.413%0.13435%0.351CS..EExtended strand (participates in β ladder)trans-93.3145.6164.500000110.4V188 D189 G234V188-G218 WeakPolarHBondContact CA-O 3.33Å; D189-G218 PolarHBondContact N-O 3.04Å; D189-G218 PolarHBondContact O-N 3.15Å; G218-G234 CarbonylContact C-O 3.51Å; G218-G234 WeakPolarHBondContact CA-O 3.49Å
219L96Very high87.1Confident37 Ų3765.2 Ų65.219%0.19434%0.343CS..EExtended strand (participates in β ladder)trans-117140.5177.4-57.4-179.2000109.9I186 F187 V188 T233 G234 I236I186-L219 HydrophobicContact CG2-CD2 4.28Å; F187-L219 CarbonylContact O-C 3.48Å; F187-L219 VanDerWaalsContact O-CA 3.32Å; F187-L219 WeakPolarHBondContact O-CA 3.11Å; V188-L219 HydrophobicContact CB-CD2 4.06Å; V188-L219 HydrophobicContact CG1-CD2 3.75Å; V188-L219 HydrophobicContact CG2-CD2 3.62Å; L219-T233 CarbonylContact O-C 3.53Å; L219-T233 WeakPolarHBondContact O-CA 3.15Å; L219-G234 PolarHBondContact N-O 3.26Å; L219-G234 PolarHBondContact O-N 3.03Å; L219-I236 HydrophobicContact CD1-CD1 4.43Å; L219-I236 HydrophobicContact CD1-CG1 4.46Å; L219-I236 HydrophobicContact CD1-CG2 3.65Å; L219-I236 HydrophobicContact CD2-CD1 4.01Å; L219-I236 HydrophobicContact CD2-CG1 4.28Å; L219-I236 HydrophobicContact CG-CG1 4.4Å; L219-I236 HydrophobicContact CG-CG2 4.37Å
220K98Very high89.1Confident118 Ų11860.6 Ų60.651%0.51332%0.324SS..EExtended strand (participates in β ladder)trans-130118.3167.1-174.6-179.3179.5-1750109.1I186 F187I186-K220 CarbonylContact C-O 3.49Å; I186-K220 WeakPolarHBondContact CA-O 3.46Å; F187-K220 HydrophobicContact CB-CB 4.44Å; F187-K220 PolarHBondContact N-O 2.78Å; F187-K220 PolarHBondContact O-N 2.76Å
221A97.2Very high91Very high6 Ų655.2 Ų55.25%0.0530%0.304CS..EExtended strand (participates in β ladder)trans-110.5138.9179.800000110.9E185 I186 L230 T231 G232 F255E185-A221 CarbonylContact O-C 3.54Å; E185-A221 VanDerWaalsContact O-CA 3.3Å; E185-A221 WeakPolarHBondContact O-CA 3.36Å; I186-A221 HydrophobicContact CG1-CB 4.17Å; A221-L230 HydrophobicContact CB-CD2 4.39Å; A221-T231 CarbonylContact O-C 3.59Å; A221-T231 WeakPolarHBondContact O-CA 3.48Å; A221-G232 PolarHBondContact N-O 2.8Å; A221-G232 PolarHBondContact O-N 2.7Å; A221-F255 HydrophobicContact CB-CD1 4.33Å; A221-F255 HydrophobicContact CB-CE1 3.85Å
222Q97.4Very high92.1Very high78 Ų7848.2 Ų48.236%0.36428%0.276SS..EExtended strand (participates in β ladder)trans-149.2152.2174.664.2-176.75.100111E185 F187 L230E185-Q222 HydrophobicContact CB-CG 4.32Å; E185-Q222 PolarHBondContact N-O 2.81Å; E185-Q222 PolarHBondContact O-N 2.87Å; F187-Q222 HydrophobicContact CE2-CG 4.38Å; Q222-L230 CarbonylContact C-O 3.57Å; Q222-L230 WeakPolarHBondContact CA-O 3.01Å
223G96.5Very high92.9Very high32 Ų3251.2 Ų51.233%0.3330%0.295SS..EExtended strand (participates in β ladder)trans146.6-136175.200000112D183 P229 L230D183-G223 CarbonylContact O-C 3.57Å; D183-G223 VanDerWaalsContact O-CA 3.3Å; D183-G223 WeakPolarHBondContact O-CA 3.46Å; G223-P229 WeakPolarHBondContact O-CA 3.43Å; G223-L230 PolarHBondContact N-O 2.81Å; G223-L230 PolarHBondContact O-N 2.79Å
224R94.1Very high93.5Very high157 Ų15749.8 Ų49.859%0.59228%0.28SS*.EExtended strand (participates in β ladder)trans-136.1145.6178.9-66.1-177.3173.2-170.2-3.3111.8D183 L184 E228D183-R224 PolarHBondContact N-O 2.88Å; D183-R224 PolarHBondContact O-N 2.94Å; L184-R224 WeakPolarHBondContact CD2-O 3.4Å; R224-E228 CarbonylContact C-O 3.25Å; R224-E228 VanDerWaalsContact CA-O 3.24Å; R224-E228 WeakPolarHBondContact CA-O 3.41Å
225Y90.3Very high93.8Very high47 Ų4748.8 Ų48.818%0.18427%0.272CS..EExtended strand (participates in β ladder)trans-136.6125.5172.8-179-94.5000109.2A182 G227 E228 L230 E293 L294A182-Y225 HydrophobicContact CB-CD2 3.9Å; A182-Y225 HydrophobicContact CB-CE2 4.43Å; Y225-G227 PolarHBondContact O-N 2.78Å; Y225-E228 PolarHBondContact N-O 2.95Å; Y225-E228 PolarHBondContact O-N 2.81Å; Y225-L230 HydrophobicContact CG-CD1 4.26Å; Y225-E293 WeakPolarHBondContact CE1-O 3.49Å; Y225-E293 PolarHBondContact OH-O 2.76Å; Y225-L294 HydrophobicContact CD1-CD1 4.28Å; Y225-L294 HydrophobicContact CE1-CD1 3.8Å
226N86Confident93.8Very high40 Ų4050.6 Ų50.621%0.21428%0.281CS..THydrogen-bonded Turntrans49.231.4-172.2-162.239.4000114.1K181 E228 E293K181-N226 WeakPolarHBondContact CD-OD1 3.37Å; K181-N226 PolarHBondContact NZ-OD1 2.96Å; K181-N226 PolarHBondContact O-N 2.78Å; N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact O-N 2.92Å; N226-E293 WeakPolarHBondContact ND2-CG 3.09Å; N226-E293 PolarHBondContact ND2-OE1 2.73Å; N226-E293 PolarHBondContact ND2-OE2 3.18Å
227G84.2Confident93.7Very high55 Ų5548.8 Ų48.857%0.56727%0.271SS*.THydrogen-bonded Turntrans87-14.6-179.200000115.7Y225Y225-G227 PolarHBondContact O-N 2.78Å
228E88.8Confident93Very high62 Ų6249.3 Ų49.329%0.2928%0.28SS..EExtended strand (participates in β ladder)trans-86.4145.2175.1-73.5-78.6178.100110.5R224 Y225 N226 L230 K387R224-E228 CarbonylContact C-O 3.25Å; R224-E228 VanDerWaalsContact CA-O 3.24Å; R224-E228 WeakPolarHBondContact CA-O 3.41Å; Y225-E228 PolarHBondContact N-O 2.95Å; Y225-E228 PolarHBondContact O-N 2.81Å; N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact O-N 2.92Å; E228-L230 PolarHBondContact O-N 2.79Å; E228-K387 IonicContact OE1-NZ 3.78Å; E228-K387 PolarHBondContact OE1-NZ 3.38Å
229P93.4Very high91.5Very high81 Ų8154.4 Ų54.453%0.52630%0.302SS..EExtended strand (participates in β ladder)trans-65.6131.2176.727.5-32.5000110.5G223 G258G223-P229 WeakPolarHBondContact O-CA 3.43Å; P229-G258 PolarHBondContact O-N 2.9Å
230L93.9Very high89.6Confident15 Ų1556.3 Ų56.38%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-113.7131.7178.4-174155.3000110.3L184 A221 Q222 G223 Y225 E228 F255 R256L184-L230 HydrophobicContact CD2-CB 3.99Å; L184-L230 HydrophobicContact CD2-CD1 4.13Å; L184-L230 HydrophobicContact CD2-CD2 3.91Å; L184-L230 HydrophobicContact CD2-CG 4.22Å; A221-L230 HydrophobicContact CB-CD2 4.39Å; Q222-L230 CarbonylContact C-O 3.57Å; Q222-L230 WeakPolarHBondContact CA-O 3.01Å; G223-L230 PolarHBondContact N-O 2.81Å; G223-L230 PolarHBondContact O-N 2.79Å; Y225-L230 HydrophobicContact CG-CD1 4.26Å; E228-L230 PolarHBondContact O-N 2.79Å; L230-F255 HydrophobicContact CD2-CD1 4.29Å; L230-R256 CarbonylContact C-O 3.49Å; L230-R256 VanDerWaalsContact CA-O 3.26Å; L230-R256 WeakPolarHBondContact CA-O 3.22Å
231T96.8Very high87.3Confident78 Ų7852.6 Ų52.648%0.47930%0.303SS..EExtended strand (participates in β ladder)trans-136.4147.6170.658.10000110.1A221 F255 R256A221-T231 CarbonylContact O-C 3.59Å; A221-T231 WeakPolarHBondContact O-CA 3.48Å; T231-F255 CarbonylContact O-C 3.59Å; T231-F255 WeakPolarHBondContact O-CA 3.26Å; T231-R256 PolarHBondContact N-O 2.69Å; T231-R256 PolarHBondContact O-N 2.96Å
232G96.7Very high85.2Confident10 Ų1055.8 Ų55.810%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-170.2168.4174.900000114.4A221 D254A221-G232 PolarHBondContact N-O 2.8Å; A221-G232 PolarHBondContact O-N 2.7Å; G232-D254 CarbonylContact C-O 3.57Å; G232-D254 WeakPolarHBondContact CA-O 3.46Å
233T97.9Very high83.1Confident82 Ų8258.2 Ų58.250%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-134.5156.917459.30000109.5L219 A253 D254L219-T233 CarbonylContact O-C 3.53Å; L219-T233 WeakPolarHBondContact O-CA 3.15Å; T233-A253 CarbonylContact O-C 3.55Å; T233-A253 WeakPolarHBondContact O-CA 3.49Å; T233-D254 PolarHBondContact N-O 2.89Å; T233-D254 PolarHBondContact O-N 2.83Å
234G96.7Very high81Confident4 Ų458 Ų584%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-159.7-179.7178.200000112.6G218 L219 Q252G218-G234 CarbonylContact C-O 3.51Å; G218-G234 WeakPolarHBondContact CA-O 3.49Å; L219-G234 PolarHBondContact N-O 3.26Å; L219-G234 PolarHBondContact O-N 3.03Å; G234-Q252 CarbonylContact C-O 3.52Å; G234-Q252 WeakPolarHBondContact CA-O 3.39Å
235K95Very high79.2Confident55 Ų5557.6 Ų57.624%0.23933%0.328CS..EExtended strand (participates in β ladder)trans-141.7143.8172.2-59.4179.3-166.470.90109.1L191 L195 V200 Y215 F217 Q252L191-K235 HydrophobicContact CD1-CD 4.16Å; L191-K235 HydrophobicContact CD1-CG 4.43Å; L195-K235 HydrophobicContact CD1-CD 3.97Å; V200-K235 HydrophobicContact CG2-CD 4.45Å; Y215-K235 HydrophobicContact CD1-CB 3.54Å; Y215-K235 HydrophobicContact CE1-CB 4.16Å; Y215-K235 HydrophobicContact CG-CB 4.05Å; F217-K235 CarbonylContact O-C 3.59Å; F217-K235 WeakPolarHBondContact O-CA 3.17Å; K235-Q252 HydrophobicContact CB-CB 4.42Å; K235-Q252 PolarHBondContact N-O 3.13Å; K235-Q252 PolarHBondContact O-N 2.96Å
236I92Very high78Confident38 Ų3857.8 Ų57.820%0.19534%0.344CS..EExtended strand (participates in β ladder)trans-134.9157.917760173.8000110.8V216 F217 L219 F249 P250 V251V216-I236 PolarHBondContact N-O 3.49Å; F217-I236 HydrophobicContact CB-CD1 4.42Å; F217-I236 HydrophobicContact CB-CG1 3.79Å; F217-I236 HydrophobicContact CD2-CG1 4.36Å; F217-I236 PolarHBondContact N-O 2.76Å; F217-I236 VanDerWaalsContact N-O 3.15Å; F217-I236 PolarHBondContact O-N 3.27Å; L219-I236 HydrophobicContact CD1-CD1 4.43Å; L219-I236 HydrophobicContact CD1-CG1 4.46Å; L219-I236 HydrophobicContact CD1-CG2 3.65Å; L219-I236 HydrophobicContact CD2-CD1 4.01Å; L219-I236 HydrophobicContact CD2-CG1 4.28Å; L219-I236 HydrophobicContact CG-CG1 4.4Å; L219-I236 HydrophobicContact CG-CG2 4.37Å; I236-F249 HydrophobicContact CB-CE1 3.93Å; I236-F249 HydrophobicContact CB-CZ 3.95Å; I236-F249 HydrophobicContact CG2-CE1 4.35Å; I236-P250 WeakPolarHBondContact CA-O 3.43Å; I236-V251 HydrophobicContact CG2-CG1 4.32Å
237G87.9Confident77.4Confident4 Ų459.3 Ų59.34%0.04136%0.355CS..EExtended strand (participates in β ladder)trans-60.2151.4175.300000112.8D214 M239 F249 P250D214-G237 WeakPolarHBondContact O-CA 3.12Å; G237-M239 VanDerWaalsContact C-N 3.31Å; G237-F249 WeakPolarHBondContact O-CE2 3.43Å; G237-F249 WeakPolarHBondContact O-CZ 3.34Å; G237-P250 PolarHBondContact N-O 3.25Å
238G78.6Confident77.4Confident23 Ų2357.6 Ų57.624%0.23733%0.334CS..SBendtrans-77.6-17.5176.200000114.7V216V216-G238 VanDerWaalsContact CB-CA 3.43Å
239M63.4Low77.4Confident120 Ų12055.8 Ų55.859%0.59133%0.325SS*.  trans-112.697.3-164.6-168.6155.4-72.600111.2G237 A241G237-M239 VanDerWaalsContact C-N 3.31Å; M239-A241 HydrophobicContact CG-CB 3.48Å; M239-A241 VanDerWaalsContact CG-CB 3.48Å; M239-A241 PolarHBondContact O-N 2.92Å; M239-A241 HydrophobicContact SD-CB 4Å
240L56.2Low77.3Confident77 Ų7752 Ų5240%0.40330%0.301SS..  trans-82.964.7151.8-114.882.6000107.8L242 F249L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.38Å; L240-F249 HydrophobicContact CD1-CD2 4.4Å; L240-F249 HydrophobicContact CD1-CE2 3.88Å; L240-F249 HydrophobicContact CD1-CZ 4.11Å
241A50.1Low77.3Confident41 Ų4152.1 Ų52.134%0.33930%0.302SS..  trans-7097.916800000107M239 R243 G244M239-A241 HydrophobicContact CG-CB 3.48Å; M239-A241 VanDerWaalsContact CG-CB 3.48Å; M239-A241 PolarHBondContact O-N 2.92Å; M239-A241 HydrophobicContact SD-CB 4Å; A241-R243 PolarHBondContact O-N 3.19Å; A241-G244 PolarHBondContact O-N 3.38Å
242L52.1Low77.3Confident72 Ų7250 Ų5038%0.37729%0.287SS..THydrogen-bonded Turntrans-50.2-12.6179.3-79.9150.5000114.6L163 I166 L240 M272L163-L242 HydrophobicContact CB-CD1 3.95Å; L163-L242 HydrophobicContact CD2-CD1 3.76Å; L163-L242 HydrophobicContact CG-CD1 3.91Å; I166-L242 HydrophobicContact CD1-CD1 4.28Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.38Å; L242-M272 HydrophobicContact CD2-CE 3.57Å; L242-M272 HydrophobicContact CD2-CG 4.16Å; L242-M272 HydrophobicContact CD2-SD 3.56Å; L242-M272 VanDerWaalsContact CD2-SD 3.56Å
243R53.8Low77.3Confident129 Ų12949.8 Ų49.849%0.48728%0.283SS..THydrogen-bonded Turntrans-112.8-10.3-171.3-131.7-173.2-5314321.9116.1D164 A241 E245D164-R243 IonicContact OD1-CZ 2.83Å; D164-R243 IonicContact OD1-NH2 2.78Å; D164-R243 PolarHBondContact OD1-NH2 2.85Å; D164-R243 IonicContact OD2-CZ 3.75Å; D164-R243 IonicContact OD2-NH2 2.63Å; D164-R243 PolarHBondContact OD2-NH2 2.83Å; A241-R243 PolarHBondContact O-N 3.19Å; R243-E245 PolarHBondContact O-N 3.19Å
244G53.9Low77.2Confident29 Ų2947 Ų4730%0.29927%0.266SS..  trans-77.468.5175.200000110.1A241 G246 T247A241-G244 PolarHBondContact O-N 3.38Å; G244-G246 PolarHBondContact O-N 3.18Å; G244-T247 WeakPolarHBondContact CA-OG1 3.45Å; G244-T247 WeakPolarHBondContact O-CB 3.48Å; G244-T247 PolarHBondContact O-N 3.45Å; G244-T247 PolarHBondContact O-OG1 2.74Å
245E55.1Low77.1Confident148 Ų14849.9 Ų49.969%0.69228%0.277SS*.THydrogen-bonded Turntrans-50.1119.1169.7-76-163.913900108.3R243 K273R243-E245 PolarHBondContact O-N 3.19Å; E245-K273 IonicContact OE1-NZ 3.3Å; E245-K273 PolarHBondContact OE1-NZ 2.99Å
246G65.7Low77.1Confident51 Ų5152.4 Ų52.453%0.52629%0.285SS..THydrogen-bonded Turntrans82.311.3-176.500000116.8G244 P248G244-G246 PolarHBondContact O-N 3.18Å; G246-P248 WeakPolarHBondContact O-CD 3.32Å
247T73.8Confident77Confident71 Ų7151.5 Ų51.544%0.43628%0.282SS..PPolyproline II helixtrans-82.9118.3170.2-50.20000109.6G244G244-T247 WeakPolarHBondContact CA-OG1 3.45Å; G244-T247 WeakPolarHBondContact O-CB 3.48Å; G244-T247 PolarHBondContact O-N 3.45Å; G244-T247 PolarHBondContact O-OG1 2.74Å
248P84.2Confident76.9Confident19 Ų1952.6 Ų52.612%0.12329%0.293CS..PPolyproline II helixtrans-70.6131.8-178.9-14.428.5000111.7V212 G246 V267V212-P248 HydrophobicContact CG2-CB 4.06Å; V212-P248 HydrophobicContact CG2-CG 4.15Å; G246-P248 WeakPolarHBondContact O-CD 3.32Å; P248-V267 HydrophobicContact CB-CB 3.69Å; P248-V267 HydrophobicContact CB-CG1 3.85Å; P248-V267 HydrophobicContact CB-CG2 3.99Å
249F87.7Confident77.3Confident24 Ų2455.7 Ų55.711%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-94.1118179.2-175.3-101.6000110.7I236 G237 L240 V251 V267 V268 P271I236-F249 HydrophobicContact CB-CE1 3.93Å; I236-F249 HydrophobicContact CB-CZ 3.95Å; I236-F249 HydrophobicContact CG2-CE1 4.35Å; G237-F249 WeakPolarHBondContact O-CE2 3.43Å; G237-F249 WeakPolarHBondContact O-CZ 3.34Å; L240-F249 HydrophobicContact CD1-CD2 4.4Å; L240-F249 HydrophobicContact CD1-CE2 3.88Å; L240-F249 HydrophobicContact CD1-CZ 4.11Å; F249-V251 HydrophobicContact CD1-CG1 3.67Å; F249-V251 HydrophobicContact CE1-CG1 3.86Å; F249-V267 CarbonylContact O-C 3.59Å; F249-V267 VanDerWaalsContact O-CA 3.29Å; F249-V267 WeakPolarHBondContact O-CA 3.41Å; F249-V268 HydrophobicContact CB-CB 4.42Å; F249-V268 PolarHBondContact N-O 3.34Å; F249-V268 PolarHBondContact O-N 3.36Å; F249-P271 HydrophobicContact CB-CG 4.2Å
250P92Very high78.6Confident3 Ų350.5 Ų50.52%0.01928%0.28CS..EExtended strand (participates in β ladder)trans-73.7131.9-17632.3-37.7000111.2F197 V212 G213 Y215 I236 G237 G266F197-P250 HydrophobicContact CD2-CB 3.73Å; F197-P250 HydrophobicContact CE2-CB 4.24Å; V212-P250 HydrophobicContact CG1-CB 3.87Å; V212-P250 HydrophobicContact CG1-CG 4.38Å; G213-P250 WeakPolarHBondContact O-CG 3.09Å; Y215-P250 HydrophobicContact CD1-CB 4.22Å; Y215-P250 HydrophobicContact CE1-CB 3.8Å; Y215-P250 HydrophobicContact CE2-CB 4.26Å; I236-P250 WeakPolarHBondContact CA-O 3.43Å; G237-P250 PolarHBondContact N-O 3.25Å; P250-G266 WeakPolarHBondContact CA-O 3.46Å
251V94Very high80.5Confident17 Ų1751.4 Ų51.410%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-132.6146177.2-63.90000110.5Y215 I236 F249 F264 D265 G266 V268 L279Y215-V251 PolarHBondContact OH-O 2.88Å; I236-V251 HydrophobicContact CG2-CG1 4.32Å; F249-V251 HydrophobicContact CD1-CG1 3.67Å; F249-V251 HydrophobicContact CE1-CG1 3.86Å; V251-F264 HydrophobicContact CB-CE2 4.36Å; V251-F264 HydrophobicContact CG2-CD2 4.39Å; V251-F264 HydrophobicContact CG2-CE2 4.12Å; V251-D265 WeakPolarHBondContact O-CA 3.44Å; V251-G266 PolarHBondContact N-O 2.95Å; V251-G266 PolarHBondContact O-N 2.97Å; V251-V268 HydrophobicContact CG1-CG2 3.86Å; V251-V268 HydrophobicContact CG2-CG2 3.98Å; V251-L279 HydrophobicContact CG2-CD2 3.65Å
252Q96.2Very high82.6Confident34 Ų3450.3 Ų50.316%0.15927%0.266CS..EExtended strand (participates in β ladder)trans-149.4136.5173-179.8-91.5-34.800108.6V200 Y215 G234 K235 F264 D265V200-Q252 HydrophobicContact CG1-CB 4.14Å; V200-Q252 HydrophobicContact CG1-CG 3.82Å; Y215-Q252 HydrophobicContact CE1-CB 3.86Å; G234-Q252 CarbonylContact C-O 3.52Å; G234-Q252 WeakPolarHBondContact CA-O 3.39Å; K235-Q252 HydrophobicContact CB-CB 4.42Å; K235-Q252 PolarHBondContact N-O 3.13Å; K235-Q252 PolarHBondContact O-N 2.96Å; Q252-F264 CarbonylContact C-O 3.42Å; Q252-F264 VanDerWaalsContact CA-O 3.26Å; Q252-F264 WeakPolarHBondContact CA-O 3.25Å; Q252-D265 HydrophobicContact CB-CB 4.32Å; Q252-D265 HydrophobicContact CG-CB 4.09Å
253A96.7Very high84.8Confident4 Ų447.6 Ų47.63%0.03326%0.255CS..EExtended strand (participates in β ladder)trans-153.1159.3173.100000113T233 F255 A263 F264T233-A253 CarbonylContact O-C 3.55Å; T233-A253 WeakPolarHBondContact O-CA 3.49Å; A253-F255 HydrophobicContact CB-CD2 3.82Å; A253-F255 HydrophobicContact CB-CE2 3.15Å; A253-F255 HydrophobicContact CB-CZ 3.58Å; A253-A263 CarbonylContact O-C 3.59Å; A253-A263 VanDerWaalsContact O-CA 3.26Å; A253-A263 WeakPolarHBondContact O-CA 3.46Å; A253-F264 HydrophobicContact CB-CD1 4.35Å; A253-F264 HydrophobicContact CB-CE1 3.72Å; A253-F264 HydrophobicContact CB-CE2 3.93Å; A253-F264 HydrophobicContact CB-CZ 3.48Å; A253-F264 VanDerWaalsContact CB-CZ 3.48Å; A253-F264 PolarHBondContact N-O 2.67Å; A253-F264 PolarHBondContact O-N 2.8Å
254D97.2Very high86.8Confident25 Ų2543.8 Ų43.813%0.13424%0.242CC..EExtended strand (participates in β ladder)trans-142.3104.6175-169.5-46.9000107.6G232 T233 R256 R261 A263G232-D254 CarbonylContact C-O 3.57Å; G232-D254 WeakPolarHBondContact CA-O 3.46Å; T233-D254 PolarHBondContact N-O 2.89Å; T233-D254 PolarHBondContact O-N 2.83Å; D254-R256 IonicContact OD1-CZ 3.04Å; D254-R256 IonicContact OD1-NH1 3.4Å; D254-R256 PolarHBondContact OD1-NH1 3.2Å; D254-R261 IonicContact OD1-CZ 3.46Å; D254-R261 IonicContact OD1-NE 2.75Å; D254-R261 PolarHBondContact OD1-NE 3.35Å; D254-R261 IonicContact OD1-NH2 3.36Å; D254-R261 IonicContact OD2-CZ 3.47Å; D254-R261 VanDerWaalsContact OD2-CZ 3.31Å; D254-R261 IonicContact OD2-NE 3.52Å; D254-R261 PolarHBondContact OD2-NE 3.36Å; D254-R261 IonicContact OD2-NH2 2.64Å; D254-R261 PolarHBondContact OD2-NH2 2.76Å; D254-A263 HydrophobicContact CB-CB 4.4Å
255F94.3Very high88.8Confident64 Ų6443.7 Ų43.728%0.28124%0.235SC..EExtended strand (participates in β ladder)trans-113.4145.7-179-58.6-74.2000110.3A221 L230 T231 A253 R261 V262 F264A221-F255 HydrophobicContact CB-CD1 4.33Å; A221-F255 HydrophobicContact CB-CE1 3.85Å; L230-F255 HydrophobicContact CD2-CD1 4.29Å; T231-F255 CarbonylContact O-C 3.59Å; T231-F255 WeakPolarHBondContact O-CA 3.26Å; A253-F255 HydrophobicContact CB-CD2 3.82Å; A253-F255 HydrophobicContact CB-CE2 3.15Å; A253-F255 HydrophobicContact CB-CZ 3.58Å; F255-R261 CarbonylContact O-C 3.51Å; F255-R261 VanDerWaalsContact O-CA 3.25Å; F255-R261 WeakPolarHBondContact O-CA 3.24Å; F255-R261 WeakPolarHBondContact O-CG 3.39Å; F255-V262 PolarHBondContact N-O 3.19Å; F255-V262 PolarHBondContact O-N 2.79Å; F255-F264 HydrophobicContact CD2-CE1 4.21Å; F255-F264 AromaticContact CE2-CE1 3.88Å; F255-F264 HydrophobicContact CE2-CE1 3.88Å; F255-F264 HydrophobicContact CE2-CZ 4.14Å
256R93.8Very high90.6Very high108 Ų10837 Ų3741%0.40821%0.205SC..EExtended strand (participates in β ladder)trans-125.7126.3170.1-71.5176.3179.369.3-0.8108.6L230 T231 D254 T260 R261L230-R256 CarbonylContact C-O 3.49Å; L230-R256 VanDerWaalsContact CA-O 3.26Å; L230-R256 WeakPolarHBondContact CA-O 3.22Å; T231-R256 PolarHBondContact N-O 2.69Å; T231-R256 PolarHBondContact O-N 2.96Å; D254-R256 IonicContact OD1-CZ 3.04Å; D254-R256 IonicContact OD1-NH1 3.4Å; D254-R256 PolarHBondContact OD1-NH1 3.2Å; R256-T260 CarbonylContact C-O 3.47Å; R256-T260 VanDerWaalsContact CA-O 3.3Å; R256-T260 WeakPolarHBondContact CA-O 3.31Å; R256-R261 HydrophobicContact CG-CB 4.03Å; R256-R261 HydrophobicContact CG-CG 3.95Å
257S89.9Confident91.9Very high19 Ų1935.4 Ų35.413%0.13319%0.185CC..EExtended strand (participates in β ladder)trans-129112.9173.3-171.50000107.9N259 T260S257-N259 PolarHBondContact O-N 2.94Å; S257-T260 PolarHBondContact N-O 3.07Å; S257-T260 WeakPolarHBondContact O-CB 3.14Å; S257-T260 PolarHBondContact O-N 3Å
258G85.9Confident92.7Very high27 Ų2733.2 Ų33.228%0.27817%0.171SC..THydrogen-bonded Turntrans55.8-124.6-169.700000111.5P229P229-G258 PolarHBondContact O-N 2.9Å
259N87.1Confident92.7Very high88 Ų8835.2 Ų35.247%0.47118%0.181SC..THydrogen-bonded Turntrans-91.3-0.2178.6-63.2-6.5000113.3S257 G285 D286S257-N259 PolarHBondContact O-N 2.94Å; N259-G285 WeakPolarHBondContact O-CA 3.4Å; N259-D286 HydrophobicContact CB-CB 4.34Å; N259-D286 PolarHBondContact ND2-OD2 3.18Å
260T92Very high92.1Very high11 Ų1135.7 Ų35.77%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-96.2131.7-178.2-60.90000110.3R256 S257 V262 L291 L294R256-T260 CarbonylContact C-O 3.47Å; R256-T260 VanDerWaalsContact CA-O 3.3Å; R256-T260 WeakPolarHBondContact CA-O 3.31Å; S257-T260 PolarHBondContact N-O 3.07Å; S257-T260 WeakPolarHBondContact O-CB 3.14Å; S257-T260 PolarHBondContact O-N 3Å; T260-V262 HydrophobicContact CG2-CG2 4.23Å; T260-L291 HydrophobicContact CG2-CD2 3.69Å; T260-L294 HydrophobicContact CG2-CD2 3.97Å
261R95.1Very high91.1Very high96 Ų9637.8 Ų37.836%0.36220%0.198SC..EExtended strand (participates in β ladder)trans-116.9133.3170.6-177.7-172.5-176.9-171.70.6109.8D254 F255 R256 S284D254-R261 IonicContact OD1-CZ 3.46Å; D254-R261 IonicContact OD1-NE 2.75Å; D254-R261 PolarHBondContact OD1-NE 3.35Å; D254-R261 IonicContact OD1-NH2 3.36Å; D254-R261 IonicContact OD2-CZ 3.47Å; D254-R261 VanDerWaalsContact OD2-CZ 3.31Å; D254-R261 IonicContact OD2-NE 3.52Å; D254-R261 PolarHBondContact OD2-NE 3.36Å; D254-R261 IonicContact OD2-NH2 2.64Å; D254-R261 PolarHBondContact OD2-NH2 2.76Å; F255-R261 CarbonylContact O-C 3.51Å; F255-R261 VanDerWaalsContact O-CA 3.25Å; F255-R261 WeakPolarHBondContact O-CA 3.24Å; F255-R261 WeakPolarHBondContact O-CG 3.39Å; R256-R261 HydrophobicContact CG-CB 4.03Å; R256-R261 HydrophobicContact CG-CG 3.95Å; R261-S284 PolarHBondContact N-O 2.74Å; R261-S284 PolarHBondContact O-N 3.35Å
262V95Very high90Very high17 Ų1742.5 Ų42.510%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-123.9120172.7-176.10000108.5F255 T260 F264 L281 K282 F283 L294F255-V262 PolarHBondContact N-O 3.19Å; F255-V262 PolarHBondContact O-N 2.79Å; T260-V262 HydrophobicContact CG2-CG2 4.23Å; V262-F264 HydrophobicContact CG1-CD1 4.43Å; V262-L281 HydrophobicContact CG1-CD1 3.76Å; V262-K282 WeakPolarHBondContact CA-O 3.27Å; V262-F283 HydrophobicContact CB-CD1 4.47Å; V262-F283 HydrophobicContact CG1-CD1 4.24Å; V262-F283 HydrophobicContact CG1-CE1 3.96Å; V262-F283 HydrophobicContact CG2-CD1 3.62Å; V262-F283 HydrophobicContact CG2-CE1 3.76Å; V262-L294 HydrophobicContact CB-CD2 4.45Å; V262-L294 HydrophobicContact CG2-CD2 3.27Å
263A96.8Very high88.7Confident16 Ų1647 Ų4713%0.13224%0.24CC..EExtended strand (participates in β ladder)trans-124.1136.3176.100000109.6A253 D254 K282A253-A263 CarbonylContact O-C 3.59Å; A253-A263 VanDerWaalsContact O-CA 3.26Å; A253-A263 WeakPolarHBondContact O-CA 3.46Å; D254-A263 HydrophobicContact CB-CB 4.4Å; A263-K282 HydrophobicContact CB-CB 4.44Å; A263-K282 PolarHBondContact N-O 2.79Å; A263-K282 PolarHBondContact O-N 3.47Å
264F96.2Very high87.3Confident48 Ų4852.4 Ų52.421%0.21127%0.266CS..EExtended strand (participates in β ladder)trans-146154.8177.161.6-96.5000112.6V251 Q252 A253 F255 V262 L279 R280 L281V251-F264 HydrophobicContact CB-CE2 4.36Å; V251-F264 HydrophobicContact CG2-CD2 4.39Å; V251-F264 HydrophobicContact CG2-CE2 4.12Å; Q252-F264 CarbonylContact C-O 3.42Å; Q252-F264 VanDerWaalsContact CA-O 3.26Å; Q252-F264 WeakPolarHBondContact CA-O 3.25Å; A253-F264 HydrophobicContact CB-CD1 4.35Å; A253-F264 HydrophobicContact CB-CE1 3.72Å; A253-F264 HydrophobicContact CB-CE2 3.93Å; A253-F264 HydrophobicContact CB-CZ 3.48Å; A253-F264 VanDerWaalsContact CB-CZ 3.48Å; A253-F264 PolarHBondContact N-O 2.67Å; A253-F264 PolarHBondContact O-N 2.8Å; F255-F264 HydrophobicContact CD2-CE1 4.21Å; F255-F264 AromaticContact CE2-CE1 3.88Å; F255-F264 HydrophobicContact CE2-CE1 3.88Å; F255-F264 HydrophobicContact CE2-CZ 4.14Å; V262-F264 HydrophobicContact CG1-CD1 4.43Å; F264-L279 HydrophobicContact CB-CB 4.47Å; F264-L279 HydrophobicContact CB-CD1 4.46Å; F264-L279 HydrophobicContact CD2-CD1 4.13Å; F264-L279 HydrophobicContact CD2-CD2 4.28Å; F264-L279 HydrophobicContact CG-CD1 4.34Å; F264-R280 CarbonylContact C-O 3.45Å; F264-R280 WeakPolarHBondContact CA-O 3.42Å; F264-R280 WeakPolarHBondContact CB-O 3.26Å; F264-L281 HydrophobicContact CB-CD1 3.9Å; F264-L281 HydrophobicContact CD1-CD1 4.48Å
265D96.2Very high86.1Confident28 Ų2853.2 Ų53.215%0.1528%0.28CS..EExtended strand (participates in β ladder)trans-146.6143.1171.964.9-91000109.6T201 V251 Q252 L279 R280T201-D265 WeakPolarHBondContact CB-OD2 3.19Å; T201-D265 HydrophobicContact CG2-CB 4.11Å; T201-D265 VanDerWaalsContact CG2-OD2 3.22Å; T201-D265 WeakPolarHBondContact CG2-OD2 3.32Å; V251-D265 WeakPolarHBondContact O-CA 3.44Å; Q252-D265 HydrophobicContact CB-CB 4.32Å; Q252-D265 HydrophobicContact CG-CB 4.09Å; D265-L279 CarbonylContact O-C 3.58Å; D265-L279 WeakPolarHBondContact O-CA 3.48Å; D265-R280 PolarHBondContact N-O 2.88Å; D265-R280 PolarHBondContact O-N 2.99Å
266G94.1Very high85.7Confident7 Ų750.4 Ų50.47%0.07227%0.269CS..EExtended strand (participates in β ladder)trans155.3-147.5-17800000112.5P250 V251 D278P250-G266 WeakPolarHBondContact CA-O 3.46Å; V251-G266 PolarHBondContact N-O 2.95Å; V251-G266 PolarHBondContact O-N 2.97Å; G266-D278 WeakPolarHBondContact CA-O 3.37Å
267V92.1Very high85.5Confident17 Ų1746.3 Ų46.310%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-131.1145.8-173.1-60.10000113F197 V212 P248 F249 V277 D278F197-V267 HydrophobicContact CE2-CG1 3.89Å; F197-V267 HydrophobicContact CZ-CG1 3.92Å; V212-V267 HydrophobicContact CB-CG1 4.5Å; V212-V267 HydrophobicContact CG1-CG1 3.65Å; V212-V267 HydrophobicContact CG2-CG1 3.95Å; P248-V267 HydrophobicContact CB-CB 3.69Å; P248-V267 HydrophobicContact CB-CG1 3.85Å; P248-V267 HydrophobicContact CB-CG2 3.99Å; F249-V267 CarbonylContact O-C 3.59Å; F249-V267 VanDerWaalsContact O-CA 3.29Å; F249-V267 WeakPolarHBondContact O-CA 3.41Å; V267-V277 WeakPolarHBondContact O-CA 3.42Å; V267-D278 HydrophobicContact CG2-CB 3.99Å; V267-D278 PolarHBondContact N-O 3.22Å; V267-D278 PolarHBondContact O-N 3.29Å
268V89.7Confident85.7Confident25 Ų2547.2 Ų47.215%0.15226%0.259CS..EExtended strand (participates in β ladder)trans-100.8121.9165.3-177.60000107.7F249 V251 P271 V277F249-V268 HydrophobicContact CB-CB 4.42Å; F249-V268 PolarHBondContact N-O 3.34Å; F249-V268 PolarHBondContact O-N 3.36Å; V251-V268 HydrophobicContact CG1-CG2 3.86Å; V251-V268 HydrophobicContact CG2-CG2 3.98Å; V268-P271 HydrophobicContact CG1-CB 4.15Å; V268-V277 HydrophobicContact CG1-CG1 4.31Å; V268-V277 HydrophobicContact CG2-CG1 4.12Å
269N84.9Confident86.1Confident61 Ų6146.8 Ų46.833%0.32625%0.25SS..EExtended strand (participates in β ladder)trans-88.3127.9177.7-64.9-46.5000109.3G275 G276N269-G275 PolarHBondContact O-N 3.16Å; N269-G276 PolarHBondContact N-O 2.96Å; N269-G276 PolarHBondContact O-N 2.75Å
270D75Confident86.6Confident35 Ų3547.7 Ų47.719%0.18725%0.247CC..SBendtrans49.668.3-179.4-165.8-4.9000112.3M272 K273 M274 G275D270-M272 PolarHBondContact O-N 2.82Å; D270-M272 VanDerWaalsContact O-N 3.09Å; D270-K273 CarbonylContact O-C 3.56Å; D270-K273 PolarHBondContact O-N 2.86Å; D270-K273 PolarHBondContact OD1-N 2.91Å; D270-K273 VanDerWaalsContact OD2-CD 3.22Å; D270-K273 WeakPolarHBondContact OD2-CD 3.44Å; D270-K273 WeakPolarHBondContact OD2-CG 3.42Å; D270-K273 IonicContact OD2-NZ 2.9Å; D270-M274 PolarHBondContact O-N 2.87Å; D270-G275 PolarHBondContact O-N 2.82Å
271P70.2Confident86.8Confident46 Ų4647.8 Ų47.830%0.29925%0.247SC..THydrogen-bonded Turntrans-60.6-22.9-174.225.3-35.2000113.3F249 V268F249-P271 HydrophobicContact CB-CG 4.2Å; V268-P271 HydrophobicContact CG1-CB 4.15Å
272M71.2Confident86.9Confident116 Ų11646.7 Ų46.757%0.57125%0.245SC*.THydrogen-bonded Turntrans-72.3-33.8176.9-70.2-59-61.300112.7L242 D270L242-M272 HydrophobicContact CD2-CE 3.57Å; L242-M272 HydrophobicContact CD2-CG 4.16Å; L242-M272 HydrophobicContact CD2-SD 3.56Å; L242-M272 VanDerWaalsContact CD2-SD 3.56Å; D270-M272 PolarHBondContact O-N 2.82Å; D270-M272 VanDerWaalsContact O-N 3.09Å
273K69.6Low86.9Confident130 Ų13047.5 Ų47.557%0.56525%0.247SC*.THydrogen-bonded Turntrans-98.7-2.8175.3-58.1-175-164.2148.50112.8E245 D270 G275E245-K273 IonicContact OE1-NZ 3.3Å; E245-K273 PolarHBondContact OE1-NZ 2.99Å; D270-K273 CarbonylContact O-C 3.56Å; D270-K273 PolarHBondContact O-N 2.86Å; D270-K273 PolarHBondContact OD1-N 2.91Å; D270-K273 VanDerWaalsContact OD2-CD 3.22Å; D270-K273 WeakPolarHBondContact OD2-CD 3.44Å; D270-K273 WeakPolarHBondContact OD2-CG 3.42Å; D270-K273 IonicContact OD2-NZ 2.9Å; K273-G275 PolarHBondContact O-N 2.83Å
274M67.2Low86.9Confident117 Ų11748.5 Ų48.558%0.57625%0.253SS*.THydrogen-bonded Turntrans48.438.1-170.2-71.4-102.9-161.900111.9D270 G276 I315D270-M274 PolarHBondContact O-N 2.87Å; M274-G276 PolarHBondContact O-N 2.91Å; M274-G276 VanDerWaalsContact O-N 3.14Å; M274-I315 WeakPolarHBondContact O-CB 3.32Å
275G71Confident86.8Confident41 Ų4146.6 Ų46.642%0.42325%0.247SC..  trans-64-27-166.500000114.3N269 D270 K273N269-G275 PolarHBondContact O-N 3.16Å; D270-G275 PolarHBondContact O-N 2.82Å; K273-G275 PolarHBondContact O-N 2.83Å
276G86.1Confident86.6Confident5 Ų546.4 Ų46.45%0.05225%0.246CC..EExtended strand (participates in β ladder)trans174171.9171.200000114.5N269 M274 A313N269-G276 PolarHBondContact N-O 2.96Å; N269-G276 PolarHBondContact O-N 2.75Å; M274-G276 PolarHBondContact O-N 2.91Å; M274-G276 VanDerWaalsContact O-N 3.14Å; G276-A313 CarbonylContact C-O 3.37Å; G276-A313 WeakPolarHBondContact CA-O 3.34Å
277V91.5Very high86.5Confident22 Ų2246.1 Ų46.113%0.13324%0.243CC..EExtended strand (participates in β ladder)trans-128.4151.9176.8-54.20000110.4V267 V268 L279 V312 A313V267-V277 WeakPolarHBondContact O-CA 3.42Å; V268-V277 HydrophobicContact CG1-CG1 4.31Å; V268-V277 HydrophobicContact CG2-CG1 4.12Å; V277-L279 HydrophobicContact CB-CD1 4.25Å; V277-L279 HydrophobicContact CB-CG 4.08Å; V277-L279 HydrophobicContact CG2-CD1 4.07Å; V277-L279 HydrophobicContact CG2-CG 4.15Å; V277-V312 CarbonylContact O-C 3.51Å; V277-V312 VanDerWaalsContact O-CA 3.25Å; V277-V312 WeakPolarHBondContact O-CA 3.45Å; V277-A313 HydrophobicContact CG2-CB 3.62Å; V277-A313 PolarHBondContact N-O 3.08Å; V277-A313 PolarHBondContact O-N 3.1Å
278D93.6Very high86.5Confident39 Ų3946.4 Ų46.421%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-137.599.8172.9-167.7-20.1000108.5G266 V267 R310 L311 V312G266-D278 WeakPolarHBondContact CA-O 3.37Å; V267-D278 HydrophobicContact CG2-CB 3.99Å; V267-D278 PolarHBondContact N-O 3.22Å; V267-D278 PolarHBondContact O-N 3.29Å; D278-R310 IonicContact OD1-CZ 3.59Å; D278-R310 IonicContact OD1-NE 3.63Å; D278-R310 PolarHBondContact OD1-NE 3.13Å; D278-R310 IonicContact OD1-NH2 2.79Å; D278-R310 PolarHBondContact OD1-NH2 3.03Å; D278-R310 IonicContact OD2-CZ 3.66Å; D278-R310 IonicContact OD2-NE 2.68Å; D278-R310 IonicContact OD2-NH2 3.45Å; D278-R310 PolarHBondContact OD2-NH2 3.45Å; D278-L311 WeakPolarHBondContact CA-O 3.5Å; D278-V312 HydrophobicContact CB-CG2 4.5Å
279L94.7Very high86.5Confident17 Ų1745.6 Ų45.69%0.08924%0.241CC..EExtended strand (participates in β ladder)trans-125138.2-168.1-53.9177.3000110V251 F264 D265 V277 R310 L311V251-L279 HydrophobicContact CG2-CD2 3.65Å; F264-L279 HydrophobicContact CB-CB 4.47Å; F264-L279 HydrophobicContact CB-CD1 4.46Å; F264-L279 HydrophobicContact CD2-CD1 4.13Å; F264-L279 HydrophobicContact CD2-CD2 4.28Å; F264-L279 HydrophobicContact CG-CD1 4.34Å; D265-L279 CarbonylContact O-C 3.58Å; D265-L279 WeakPolarHBondContact O-CA 3.48Å; V277-L279 HydrophobicContact CB-CD1 4.25Å; V277-L279 HydrophobicContact CB-CG 4.08Å; V277-L279 HydrophobicContact CG2-CD1 4.07Å; V277-L279 HydrophobicContact CG2-CG 4.15Å; L279-R310 CarbonylContact O-C 3.41Å; L279-R310 VanDerWaalsContact O-CA 3.3Å; L279-R310 WeakPolarHBondContact O-CA 3.26Å; L279-L311 PolarHBondContact N-O 2.86Å; L279-L311 PolarHBondContact O-N 3.17Å
280R96.8Very high86.7Confident107 Ų10744.1 Ų44.140%0.40423%0.233SC..EExtended strand (participates in β ladder)trans-73.5122.1150.4-173.9180-174.9169.82.3107.3F264 D265 D308 G309F264-R280 CarbonylContact C-O 3.45Å; F264-R280 WeakPolarHBondContact CA-O 3.42Å; F264-R280 WeakPolarHBondContact CB-O 3.26Å; D265-R280 PolarHBondContact N-O 2.88Å; D265-R280 PolarHBondContact O-N 2.99Å; R280-D308 WeakPolarHBondContact CG-OD1 3.42Å; R280-D308 IonicContact CZ-OD1 3.58Å; R280-D308 IonicContact CZ-OD2 2.7Å; R280-D308 IonicContact NE-OD1 3.79Å; R280-D308 PolarHBondContact NE-OD1 2.63Å; R280-D308 IonicContact NE-OD2 4Å; R280-D308 PolarHBondContact NE-OD2 3.38Å; R280-D308 IonicContact NH2-OD1 2.8Å; R280-D308 IonicContact NH2-OD2 3.72Å; R280-D308 PolarHBondContact NH2-OD2 3.33Å; R280-G309 CarbonylContact C-O 3.5Å; R280-G309 WeakPolarHBondContact CA-O 3.35Å
281L96.3Very high87.3Confident13 Ų1342.8 Ų42.87%0.06823%0.226CC..EExtended strand (participates in β ladder)trans-125.1126.8-173.3179.862.1000110.3V262 F264 F283 G309 L311 Y325V262-L281 HydrophobicContact CG1-CD1 3.76Å; F264-L281 HydrophobicContact CB-CD1 3.9Å; F264-L281 HydrophobicContact CD1-CD1 4.48Å; L281-F283 HydrophobicContact CD1-CE2 4.17Å; L281-F283 HydrophobicContact CD1-CZ 4.07Å; L281-F283 HydrophobicContact CD2-CD2 4.35Å; L281-F283 HydrophobicContact CD2-CE2 3.32Å; L281-F283 HydrophobicContact CD2-CZ 3.51Å; L281-F283 HydrophobicContact CG-CD2 4.1Å; L281-F283 HydrophobicContact CG-CE2 3.5Å; L281-F283 HydrophobicContact CG-CZ 3.86Å; L281-G309 PolarHBondContact N-O 2.78Å; L281-G309 PolarHBondContact O-N 3.29Å; L281-L311 HydrophobicContact CB-CB 4.02Å; L281-L311 HydrophobicContact CD2-CB 3.78Å; L281-L311 HydrophobicContact CD2-CD2 3.56Å; L281-L311 HydrophobicContact CD2-CG 4.19Å; L281-Y325 HydrophobicContact CB-CE2 4.1Å; L281-Y325 PolarHBondContact O-OH 2.75Å
282K96.8Very high88.1Confident74 Ų7444.6 Ų44.632%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-119.7128.9178.6-51.2-170.6-171.8-154.10110.7V262 A263 T307 D308V262-K282 WeakPolarHBondContact CA-O 3.27Å; A263-K282 HydrophobicContact CB-CB 4.44Å; A263-K282 PolarHBondContact N-O 2.79Å; A263-K282 PolarHBondContact O-N 3.47Å; K282-T307 CarbonylContact C-O 3.56Å; K282-T307 WeakPolarHBondContact CA-O 3.46Å; K282-T307 WeakPolarHBondContact CB-O 3.25Å; K282-D308 HydrophobicContact CD-CB 4.31Å; K282-D308 VanDerWaalsContact CE-CG 3.45Å; K282-D308 WeakPolarHBondContact CE-OD2 3.36Å; K282-D308 HydrophobicContact CG-CB 4.02Å; K282-D308 IonicContact NZ-OD2 3.68Å; K282-D308 PolarHBondContact NZ-OD2 3.48Å
283F95.3Very high88.6Confident33 Ų3343.8 Ų43.815%0.14522%0.222CC..EExtended strand (participates in β ladder)trans-114.3144.4170.7-64.4-82.7000109.4V262 L281 L291 T295 F305 E306 T307V262-F283 HydrophobicContact CB-CD1 4.47Å; V262-F283 HydrophobicContact CG1-CD1 4.24Å; V262-F283 HydrophobicContact CG1-CE1 3.96Å; V262-F283 HydrophobicContact CG2-CD1 3.62Å; V262-F283 HydrophobicContact CG2-CE1 3.76Å; L281-F283 HydrophobicContact CD1-CE2 4.17Å; L281-F283 HydrophobicContact CD1-CZ 4.07Å; L281-F283 HydrophobicContact CD2-CD2 4.35Å; L281-F283 HydrophobicContact CD2-CE2 3.32Å; L281-F283 HydrophobicContact CD2-CZ 3.51Å; L281-F283 HydrophobicContact CG-CD2 4.1Å; L281-F283 HydrophobicContact CG-CE2 3.5Å; L281-F283 HydrophobicContact CG-CZ 3.86Å; F283-L291 HydrophobicContact CD1-CD1 4.37Å; F283-L291 HydrophobicContact CD1-CD2 3.73Å; F283-L291 HydrophobicContact CE1-CD2 4.26Å; F283-L291 HydrophobicContact CG-CD1 4.47Å; F283-L291 HydrophobicContact CG-CD2 4.47Å; F283-T295 HydrophobicContact CE1-CG2 4.18Å; F283-T295 HydrophobicContact CZ-CG2 4.48Å; F283-F305 HydrophobicContact CB-CE2 3.69Å; F283-F305 HydrophobicContact CB-CZ 4.27Å; F283-E306 CarbonylContact O-C 3.56Å; F283-E306 VanDerWaalsContact O-CA 3.29Å; F283-E306 WeakPolarHBondContact O-CA 3.31Å; F283-T307 PolarHBondContact N-O 3.19Å; F283-T307 VanDerWaalsContact N-O 3.09Å; F283-T307 PolarHBondContact O-N 2.85Å
284S96.3Very high89.2Confident37 Ų3740.3 Ų40.326%0.25921%0.209SC..EExtended strand (participates in β ladder)trans-151.3144.8164.761.10000110.3R261 F305R261-S284 PolarHBondContact N-O 2.74Å; R261-S284 PolarHBondContact O-N 3.35Å; S284-F305 WeakPolarHBondContact CA-O 3.43Å
285G93.9Very high90Very high9 Ų937.2 Ų37.29%0.09320%0.197CC..EExtended strand (participates in β ladder)trans-171.4-178.3178.800000112.4N259 P304 F305N259-G285 WeakPolarHBondContact O-CA 3.4Å; G285-P304 CarbonylContact O-C 3.5Å; G285-P304 VanDerWaalsContact O-CA 3.28Å; G285-P304 WeakPolarHBondContact O-CA 3.23Å; G285-F305 PolarHBondContact N-O 3.44Å; G285-F305 VanDerWaalsContact N-O 3.07Å; G285-F305 PolarHBondContact O-N 3.43Å
286D92Very high90.5Very high24 Ų2437 Ų3713%0.12819%0.194CC..SBendtrans-80.4-27.1-180-76.8-17.3000113N259 P303 P304 K380N259-D286 HydrophobicContact CB-CB 4.34Å; N259-D286 PolarHBondContact ND2-OD2 3.18Å; D286-P303 CarbonylContact O-C 3.56Å; D286-P303 VanDerWaalsContact O-C 3.25Å; D286-P304 VanDerWaalsContact O-CA 3.29Å; D286-P304 WeakPolarHBondContact O-CA 3.47Å; D286-P304 VanDerWaalsContact O-N 3.11Å; D286-K380 HydrophobicContact CB-CB 4.35Å; D286-K380 WeakPolarHBondContact OD1-CD 3.33Å; D286-K380 IonicContact OD1-NZ 3.29Å
287S91.9Very high90.7Very high0 Ų037.6 Ų37.60%020%0.197CC..  trans-149.1141.5175.31770000110.8G289 D290 D301 T302 F305S287-G289 PolarHBondContact O-N 2.83Å; S287-G289 PolarHBondContact OG-N 2.82Å; S287-D290 WeakPolarHBondContact O-CB 3.47Å; S287-D290 PolarHBondContact O-N 2.89Å; S287-D301 VanDerWaalsContact OG-CA 3.27Å; S287-D301 WeakPolarHBondContact OG-CA 3.47Å; S287-D301 PolarHBondContact OG-OD1 2.87Å; S287-T302 WeakPolarHBondContact CA-O 3.45Å; S287-T302 PolarHBondContact OG-N 2.79Å; S287-T302 VanDerWaalsContact OG-N 3.11Å; S287-F305 VanDerWaalsContact O-CE1 3.28Å; S287-F305 WeakPolarHBondContact O-CE1 3.35Å
288L92.2Very high90.6Very high24 Ų2438.2 Ų38.213%0.12620%0.2CC..G310 helixtrans-60.2-31.9172.9-79.6179000112.3D290 L291 L299 P300 T302 F305 I332L288-D290 PolarHBondContact O-N 3.17Å; L288-L291 HydrophobicContact CD2-CD1 3.96Å; L288-L291 VanDerWaalsContact O-CB 3.3Å; L288-L291 WeakPolarHBondContact O-CB 3.29Å; L288-L291 PolarHBondContact O-N 2.81Å; L288-L299 HydrophobicContact CB-CB 4.05Å; L288-L299 HydrophobicContact CB-CD1 4.37Å; L288-L299 HydrophobicContact CD2-CD1 4.24Å; L288-P300 WeakPolarHBondContact CB-O 3.4Å; L288-T302 HydrophobicContact CB-CG2 4.09Å; L288-T302 HydrophobicContact CD1-CG2 3.82Å; L288-T302 HydrophobicContact CG-CG2 4.12Å; L288-T302 PolarHBondContact N-OG1 2.98Å; L288-F305 HydrophobicContact CD2-CB 4.34Å; L288-F305 HydrophobicContact CD2-CD1 3.87Å; L288-F305 HydrophobicContact CD2-CD2 3.35Å; L288-F305 HydrophobicContact CD2-CE1 3.99Å; L288-F305 HydrophobicContact CD2-CE2 3.47Å; L288-F305 VanDerWaalsContact CD2-CE2 3.47Å; L288-F305 HydrophobicContact CD2-CG 3.56Å; L288-F305 HydrophobicContact CD2-CZ 3.81Å; L288-F305 HydrophobicContact CG-CB 4.32Å; L288-F305 HydrophobicContact CG-CD1 4Å; L288-F305 HydrophobicContact CG-CD2 4.19Å; L288-F305 HydrophobicContact CG-CE1 4.42Å; L288-F305 HydrophobicContact CG-CG 3.89Å; L288-I332 HydrophobicContact CD1-CD1 3.73Å
289G89.7Confident90.6Very high8 Ų838.2 Ų38.28%0.08220%0.2CC..G310 helixtrans-59.1-26.4177.500000113.4S287 L291 Y292 L299 P300S287-G289 PolarHBondContact O-N 2.83Å; S287-G289 PolarHBondContact OG-N 2.82Å; G289-L291 PolarHBondContact O-N 2.95Å; G289-Y292 WeakPolarHBondContact O-CB 3.2Å; G289-Y292 PolarHBondContact O-N 3.27Å; G289-L299 WeakPolarHBondContact CA-O 3.22Å; G289-P300 PolarHBondContact N-O 3.48Å; G289-P300 VanDerWaalsContact N-O 3.16Å
290D88.6Confident90.3Very high29 Ų2940.7 Ų40.716%0.15522%0.217CC..G310 helixtrans-72.4-15.2179-59.7-15.4000112.2S287 L288 Y292 S384 K388S287-D290 WeakPolarHBondContact O-CB 3.47Å; S287-D290 PolarHBondContact O-N 2.89Å; L288-D290 PolarHBondContact O-N 3.17Å; D290-Y292 PolarHBondContact O-N 2.8Å; D290-S384 PolarHBondContact OD2-OG 2.93Å; D290-K388 VanDerWaalsContact OD1-CE 3.3Å; D290-K388 WeakPolarHBondContact OD1-CE 2.92Å; D290-K388 IonicContact OD1-NZ 3.05Å; D290-K388 PolarHBondContact OD1-NZ 2.85Å
291L88.8Confident89.9Confident8 Ų837.1 Ų37.14%0.04221%0.206CC..G310 helixtrans-70.9-18.7173.2-68.6179.6000113.2T260 F283 L288 G289 E293 L294 T295 L299 F305T260-L291 HydrophobicContact CG2-CD2 3.69Å; F283-L291 HydrophobicContact CD1-CD1 4.37Å; F283-L291 HydrophobicContact CD1-CD2 3.73Å; F283-L291 HydrophobicContact CE1-CD2 4.26Å; F283-L291 HydrophobicContact CG-CD1 4.47Å; F283-L291 HydrophobicContact CG-CD2 4.47Å; L288-L291 HydrophobicContact CD2-CD1 3.96Å; L288-L291 VanDerWaalsContact O-CB 3.3Å; L288-L291 WeakPolarHBondContact O-CB 3.29Å; L288-L291 PolarHBondContact O-N 2.81Å; G289-L291 PolarHBondContact O-N 2.95Å; L291-E293 VanDerWaalsContact C-N 3.27Å; L291-E293 PolarHBondContact O-N 3.11Å; L291-L294 PolarHBondContact O-N 3.2Å; L291-L294 VanDerWaalsContact O-N 3.11Å; L291-T295 HydrophobicContact CB-CG2 4.43Å; L291-T295 WeakPolarHBondContact O-CB 3.48Å; L291-T295 PolarHBondContact O-N 3.42Å; L291-T295 PolarHBondContact O-OG1 3.16Å; L291-L299 HydrophobicContact CB-CD1 4.26Å; L291-L299 HydrophobicContact CD1-CD1 3.86Å; L291-F305 HydrophobicContact CD1-CE2 3.89Å; L291-F305 HydrophobicContact CD1-CZ 3.58Å; L291-F305 HydrophobicContact CD2-CZ 3.98Å; L291-F305 HydrophobicContact CG-CE1 4.41Å; L291-F305 HydrophobicContact CG-CE2 4.5Å; L291-F305 HydrophobicContact CG-CZ 3.71Å
292Y87.2Confident89.6Confident83 Ų8336.8 Ų36.833%0.32520%0.204SC..Hα-helixtrans-57.7-43-179.7175.7-108.7000111.5G289 D290 L294 G296 V297 L298 V412G289-Y292 WeakPolarHBondContact O-CB 3.2Å; G289-Y292 PolarHBondContact O-N 3.27Å; D290-Y292 PolarHBondContact O-N 2.8Å; Y292-L294 PolarHBondContact O-N 2.9Å; Y292-G296 VanDerWaalsContact O-CA 3.26Å; Y292-G296 WeakPolarHBondContact O-CA 3.34Å; Y292-G296 PolarHBondContact O-N 3.12Å; Y292-V297 WeakPolarHBondContact CA-O 3.29Å; Y292-L298 HydrophobicContact CD2-CB 4.33Å; Y292-L298 HydrophobicContact CD2-CD1 4.5Å; Y292-V412 HydrophobicContact CE2-CG2 4.41Å
293E81.2Confident89.4Confident100 Ų10033.2 Ų33.247%0.46719%0.188SC..Hα-helixtrans-65-27-179.8-60.3-166.1160.800113.2Y225 N226 L291Y225-E293 WeakPolarHBondContact CE1-O 3.49Å; Y225-E293 PolarHBondContact OH-O 2.76Å; N226-E293 WeakPolarHBondContact ND2-CG 3.09Å; N226-E293 PolarHBondContact ND2-OE1 2.73Å; N226-E293 PolarHBondContact ND2-OE2 3.18Å; L291-E293 VanDerWaalsContact C-N 3.27Å; L291-E293 PolarHBondContact O-N 3.11Å
294L82.6Confident89.3Confident57 Ų5733.3 Ų33.330%0.29819%0.192SC..Hα-helixtrans-94.7-34.6-177.6-176.960.8000113.5Y225 T260 V262 L291 Y292Y225-L294 HydrophobicContact CD1-CD1 4.28Å; Y225-L294 HydrophobicContact CE1-CD1 3.8Å; T260-L294 HydrophobicContact CG2-CD2 3.97Å; V262-L294 HydrophobicContact CB-CD2 4.45Å; V262-L294 HydrophobicContact CG2-CD2 3.27Å; L291-L294 PolarHBondContact O-N 3.2Å; L291-L294 VanDerWaalsContact O-N 3.11Å; Y292-L294 PolarHBondContact O-N 2.9Å
295T83.3Confident89.3Confident51 Ų5132 Ų3231%0.31318%0.182SC..Hα-helixtrans-114.6-16.5-168.866.50000113.3F283 L291 V297F283-T295 HydrophobicContact CE1-CG2 4.18Å; F283-T295 HydrophobicContact CZ-CG2 4.48Å; L291-T295 HydrophobicContact CB-CG2 4.43Å; L291-T295 WeakPolarHBondContact O-CB 3.48Å; L291-T295 PolarHBondContact O-N 3.42Å; L291-T295 PolarHBondContact O-OG1 3.16Å; T295-V297 PolarHBondContact O-N 3.45Å; T295-V297 PolarHBondContact OG1-N 3.12Å
296G82.7Confident89.5Confident36 Ų3635.8 Ų35.837%0.37120%0.197SC..  trans710.9-169.700000114.4Y292Y292-G296 VanDerWaalsContact O-CA 3.26Å; Y292-G296 WeakPolarHBondContact O-CA 3.34Å; Y292-G296 PolarHBondContact O-N 3.12Å
297V89.9Confident89.7Confident19 Ų1935.5 Ų35.512%0.11520%0.196CC..  trans-87.8119.3-179.9-1750000109.3Y292 T295 L299 Y343 L352 M413Y292-V297 WeakPolarHBondContact CA-O 3.29Å; T295-V297 PolarHBondContact O-N 3.45Å; T295-V297 PolarHBondContact OG1-N 3.12Å; V297-L299 HydrophobicContact CG1-CD2 4.05Å; V297-L299 HydrophobicContact CG1-CG 4.05Å; V297-L299 PolarHBondContact O-N 3.2Å; V297-Y343 HydrophobicContact CG2-CD1 4.28Å; V297-Y343 HydrophobicContact CG2-CD2 4.01Å; V297-Y343 HydrophobicContact CG2-CE1 4.22Å; V297-Y343 HydrophobicContact CG2-CE2 3.94Å; V297-Y343 HydrophobicContact CG2-CG 4.17Å; V297-L352 HydrophobicContact CG1-CD2 4.17Å; V297-M413 HydrophobicContact CG1-CE 4.17Å; V297-M413 HydrophobicContact CG1-SD 4.01Å
298L89.8Confident90Very high35 Ų3537.3 Ų37.318%0.18321%0.206CC..  trans-73.2115.3175.3-177.768.9000109.6Y292 K409 V412 M413Y292-L298 HydrophobicContact CD2-CB 4.33Å; Y292-L298 HydrophobicContact CD2-CD1 4.5Å; L298-K409 HydrophobicContact CD1-CB 4.09Å; L298-K409 HydrophobicContact CD1-CD 4.33Å; L298-K409 HydrophobicContact CD2-CB 4.17Å; L298-K409 VanDerWaalsContact CD2-O 3.24Å; L298-K409 WeakPolarHBondContact CD2-O 3.33Å; L298-V412 HydrophobicContact CB-CG2 3.95Å; L298-V412 HydrophobicContact CD2-CG2 4Å; L298-M413 HydrophobicContact CB-CE 4.33Å; L298-M413 WeakPolarHBondContact O-CE 3.14Å
299L91.8Very high90.2Very high39 Ų3936.6 Ų36.620%0.20420%0.204CC..  trans-124152.6176.3-64.4174.3000109.2L288 G289 L291 V297 L352L288-L299 HydrophobicContact CB-CB 4.05Å; L288-L299 HydrophobicContact CB-CD1 4.37Å; L288-L299 HydrophobicContact CD2-CD1 4.24Å; G289-L299 WeakPolarHBondContact CA-O 3.22Å; L291-L299 HydrophobicContact CB-CD1 4.26Å; L291-L299 HydrophobicContact CD1-CD1 3.86Å; V297-L299 HydrophobicContact CG1-CD2 4.05Å; V297-L299 HydrophobicContact CG1-CG 4.05Å; V297-L299 PolarHBondContact O-N 3.2Å; L299-L352 HydrophobicContact CD2-CD2 4.14Å
300P89.6Confident90.6Very high69 Ų6941.8 Ų41.845%0.44822%0.221SC..  trans-7216017932.3-36.8000111.5L288 G289 L369L288-P300 WeakPolarHBondContact CB-O 3.4Å; G289-P300 PolarHBondContact N-O 3.48Å; G289-P300 VanDerWaalsContact N-O 3.16Å; P300-L369 HydrophobicContact CB-CD2 3.38Å; P300-L369 HydrophobicContact CG-CD2 3.6Å
301D87.3Confident91Very high32 Ų3241.5 Ų41.517%0.17122%0.22CC..  trans-70.1141.8169.7-70.4-65.7000111.8S287 P368 K388S287-D301 VanDerWaalsContact OG-CA 3.27Å; S287-D301 WeakPolarHBondContact OG-CA 3.47Å; S287-D301 PolarHBondContact OG-OD1 2.87Å; D301-P368 WeakPolarHBondContact O-CB 3.35Å; D301-K388 IonicContact OD1-NZ 3.31Å; D301-K388 PolarHBondContact OD1-NZ 2.88Å; D301-K388 IonicContact OD2-NZ 2.71Å
302T91Very high91.3Very high5 Ų542.3 Ų42.33%0.03123%0.225CC..  trans-143.5166.7-175.865.10000111.6S287 L288 I332 S381S287-T302 WeakPolarHBondContact CA-O 3.45Å; S287-T302 PolarHBondContact OG-N 2.79Å; S287-T302 VanDerWaalsContact OG-N 3.11Å; L288-T302 HydrophobicContact CB-CG2 4.09Å; L288-T302 HydrophobicContact CD1-CG2 3.82Å; L288-T302 HydrophobicContact CG-CG2 4.12Å; L288-T302 PolarHBondContact N-OG1 2.98Å; T302-I332 HydrophobicContact CG2-CG2 4.06Å; T302-S381 PolarHBondContact O-OG 3.3Å
303P92.1Very high91.6Very high0 Ų038.4 Ų38.40%021%0.21CC..SBendtrans-56.1169.1156.9-22.635.6000112D286 F305 D365 P368 S381D286-P303 CarbonylContact O-C 3.56Å; D286-P303 VanDerWaalsContact O-C 3.25Å; P303-F305 PolarHBondContact O-N 3.48Å; P303-D365 WeakPolarHBondContact CD-O 3.31Å; P303-D365 HydrophobicContact CG-CB 4.2Å; P303-P368 HydrophobicContact CG-CG 4.45Å; P303-S381 WeakPolarHBondContact CA-OG 3.46Å
304P94.3Very high92.1Very high35 Ų3540.9 Ų40.923%0.22722%0.219CC..SBendtrans-51.4135.9177.3-28.235.7000112.1G285 D286 G333 K376 K380G285-P304 CarbonylContact O-C 3.5Å; G285-P304 VanDerWaalsContact O-CA 3.28Å; G285-P304 WeakPolarHBondContact O-CA 3.23Å; D286-P304 VanDerWaalsContact O-CA 3.29Å; D286-P304 WeakPolarHBondContact O-CA 3.47Å; D286-P304 VanDerWaalsContact O-N 3.11Å; P304-G333 PolarHBondContact O-N 3.45Å; P304-K376 WeakPolarHBondContact CD-O 3.44Å; P304-K380 HydrophobicContact CG-CD 4.13Å
305F95.3Very high92.4Very high8 Ų840.7 Ų40.74%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-127.5156.4-173.379.8-81.5000111.8F283 S284 G285 S287 L288 L291 P303 T307 R331 I332F283-F305 HydrophobicContact CB-CE2 3.69Å; F283-F305 HydrophobicContact CB-CZ 4.27Å; S284-F305 WeakPolarHBondContact CA-O 3.43Å; G285-F305 PolarHBondContact N-O 3.44Å; G285-F305 VanDerWaalsContact N-O 3.07Å; G285-F305 PolarHBondContact O-N 3.43Å; S287-F305 VanDerWaalsContact O-CE1 3.28Å; S287-F305 WeakPolarHBondContact O-CE1 3.35Å; L288-F305 HydrophobicContact CD2-CB 4.34Å; L288-F305 HydrophobicContact CD2-CD1 3.87Å; L288-F305 HydrophobicContact CD2-CD2 3.35Å; L288-F305 HydrophobicContact CD2-CE1 3.99Å; L288-F305 HydrophobicContact CD2-CE2 3.47Å; L288-F305 VanDerWaalsContact CD2-CE2 3.47Å; L288-F305 HydrophobicContact CD2-CG 3.56Å; L288-F305 HydrophobicContact CD2-CZ 3.81Å; L288-F305 HydrophobicContact CG-CB 4.32Å; L288-F305 HydrophobicContact CG-CD1 4Å; L288-F305 HydrophobicContact CG-CD2 4.19Å; L288-F305 HydrophobicContact CG-CE1 4.42Å; L288-F305 HydrophobicContact CG-CG 3.89Å; L291-F305 HydrophobicContact CD1-CE2 3.89Å; L291-F305 HydrophobicContact CD1-CZ 3.58Å; L291-F305 HydrophobicContact CD2-CZ 3.98Å; L291-F305 HydrophobicContact CG-CE1 4.41Å; L291-F305 HydrophobicContact CG-CE2 4.5Å; L291-F305 HydrophobicContact CG-CZ 3.71Å; P303-F305 PolarHBondContact O-N 3.48Å; F305-T307 HydrophobicContact CD2-CG2 4.46Å; F305-R331 CarbonylContact C-O 3.56Å; F305-R331 WeakPolarHBondContact CA-O 3.43Å; F305-R331 WeakPolarHBondContact CB-O 3.45Å; F305-I332 HydrophobicContact CB-CG1 4.03Å
306E97.2Very high92.5Very high89 Ų8941.1 Ų41.142%0.41622%0.218SC..EExtended strand (participates in β ladder)trans-144.7138.7169.760.7-179172.100109.7F283 G330 R331F283-E306 CarbonylContact O-C 3.56Å; F283-E306 VanDerWaalsContact O-CA 3.29Å; F283-E306 WeakPolarHBondContact O-CA 3.31Å; E306-G330 CarbonylContact O-C 3.55Å; E306-G330 WeakPolarHBondContact O-CA 3.49Å; E306-R331 HydrophobicContact CG-CB 4.16Å; E306-R331 PolarHBondContact N-O 2.81Å; E306-R331 PolarHBondContact O-N 2.76Å; E306-R331 IonicContact OE1-CZ 3.5Å; E306-R331 IonicContact OE1-NH1 3.24Å; E306-R331 PolarHBondContact OE1-NH1 2.8Å
307T97.4Very high92.1Very high18 Ų1845.9 Ų45.911%0.1124%0.241CC..EExtended strand (participates in β ladder)trans-138.6152.1174.761.50000111.1K282 F283 F305 Y325 F328 N329 I337K282-T307 CarbonylContact C-O 3.56Å; K282-T307 WeakPolarHBondContact CA-O 3.46Å; K282-T307 WeakPolarHBondContact CB-O 3.25Å; F283-T307 PolarHBondContact N-O 3.19Å; F283-T307 VanDerWaalsContact N-O 3.09Å; F283-T307 PolarHBondContact O-N 2.85Å; F305-T307 HydrophobicContact CD2-CG2 4.46Å; T307-Y325 WeakPolarHBondContact CB-OH 3.32Å; T307-Y325 PolarHBondContact OG1-OH 3.01Å; T307-F328 HydrophobicContact CG2-CD2 4.23Å; T307-N329 CarbonylContact C-O 3.44Å; T307-N329 WeakPolarHBondContact CA-O 3.35Å; T307-I337 HydrophobicContact CG2-CG2 4.48Å
308D97.4Very high91.7Very high39 Ų3953.4 Ų53.421%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-145.4118176.4-175-7000108.5R280 K282 Y325 F328 N329R280-D308 WeakPolarHBondContact CG-OD1 3.42Å; R280-D308 IonicContact CZ-OD1 3.58Å; R280-D308 IonicContact CZ-OD2 2.7Å; R280-D308 IonicContact NE-OD1 3.79Å; R280-D308 PolarHBondContact NE-OD1 2.63Å; R280-D308 IonicContact NE-OD2 4Å; R280-D308 PolarHBondContact NE-OD2 3.38Å; R280-D308 IonicContact NH2-OD1 2.8Å; R280-D308 IonicContact NH2-OD2 3.72Å; R280-D308 PolarHBondContact NH2-OD2 3.33Å; K282-D308 HydrophobicContact CD-CB 4.31Å; K282-D308 VanDerWaalsContact CE-CG 3.45Å; K282-D308 WeakPolarHBondContact CE-OD2 3.36Å; K282-D308 HydrophobicContact CG-CB 4.02Å; K282-D308 IonicContact NZ-OD2 3.68Å; K282-D308 PolarHBondContact NZ-OD2 3.48Å; D308-Y325 PolarHBondContact N-OH 2.69Å; D308-F328 CarbonylContact O-C 3.14Å; D308-F328 VanDerWaalsContact O-CA 3.31Å; D308-F328 WeakPolarHBondContact O-CA 3.31Å; D308-N329 PolarHBondContact N-O 2.86Å; D308-N329 PolarHBondContact O-N 2.75Å
309G97.6Very high91.3Very high8 Ų859.5 Ų59.58%0.08230%0.299CS..EExtended strand (participates in β ladder)trans-157.9-177.5-175.300000112.1R280 L281 Y325R280-G309 CarbonylContact C-O 3.5Å; R280-G309 WeakPolarHBondContact CA-O 3.35Å; L281-G309 PolarHBondContact N-O 2.78Å; L281-G309 PolarHBondContact O-N 3.29Å; G309-Y325 VanDerWaalsContact C-CE2 3.5Å; G309-Y325 VanDerWaalsContact CA-CE2 3.45Å; G309-Y325 PolarHBondContact N-OH 2.86Å; G309-Y325 VanDerWaalsContact N-OH 3.13Å
310R97.4Very high91.2Very high117 Ų11760.1 Ų60.144%0.44231%0.307SS..EExtended strand (participates in β ladder)trans-105.9112.4179.1-175.8-178.4-177.91772.7110.2D278 L279 V312 Y325 R326D278-R310 IonicContact OD1-CZ 3.59Å; D278-R310 IonicContact OD1-NE 3.63Å; D278-R310 PolarHBondContact OD1-NE 3.13Å; D278-R310 IonicContact OD1-NH2 2.79Å; D278-R310 PolarHBondContact OD1-NH2 3.03Å; D278-R310 IonicContact OD2-CZ 3.66Å; D278-R310 IonicContact OD2-NE 2.68Å; D278-R310 IonicContact OD2-NH2 3.45Å; D278-R310 PolarHBondContact OD2-NH2 3.45Å; L279-R310 CarbonylContact O-C 3.41Å; L279-R310 VanDerWaalsContact O-CA 3.3Å; L279-R310 WeakPolarHBondContact O-CA 3.26Å; R310-V312 HydrophobicContact CG-CG2 4.22Å; R310-Y325 CarbonylContact O-C 3.59Å; R310-R326 PolarHBondContact N-O 2.85Å; R310-R326 VanDerWaalsContact N-O 3.09Å; R310-R326 PolarHBondContact O-N 3.05Å
311L96.3Very high91.4Very high23 Ų2357.3 Ų57.312%0.1229%0.289CS..EExtended strand (participates in β ladder)trans-88.1120.8171177.866.7000109.9D278 L279 L281 F323 D324 Y325D278-L311 WeakPolarHBondContact CA-O 3.5Å; L279-L311 PolarHBondContact N-O 2.86Å; L279-L311 PolarHBondContact O-N 3.17Å; L281-L311 HydrophobicContact CB-CB 4.02Å; L281-L311 HydrophobicContact CD2-CB 3.78Å; L281-L311 HydrophobicContact CD2-CD2 3.56Å; L281-L311 HydrophobicContact CD2-CG 4.19Å; L311-F323 HydrophobicContact CD1-CB 4.03Å; L311-D324 WeakPolarHBondContact CA-O 3.21Å; L311-Y325 HydrophobicContact CB-CD2 4.26Å
312V96.2Very high91.8Very high25 Ų2558 Ų5815%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-114.4119.1165.9-179.20000108.6V277 D278 R310 D324V277-V312 CarbonylContact O-C 3.51Å; V277-V312 VanDerWaalsContact O-CA 3.25Å; V277-V312 WeakPolarHBondContact O-CA 3.45Å; D278-V312 HydrophobicContact CB-CG2 4.5Å; R310-V312 HydrophobicContact CG-CG2 4.22Å; V312-D324 PolarHBondContact N-O 2.8Å; V312-D324 WeakPolarHBondContact O-CB 3.06Å; V312-D324 PolarHBondContact O-N 3.01Å
313A93.7Very high92Very high2 Ų260.8 Ų60.82%0.01731%0.306CS..EExtended strand (participates in β ladder)trans-115.9145.3177.500000112.1G276 V277 I315 V322 F323G276-A313 CarbonylContact C-O 3.37Å; G276-A313 WeakPolarHBondContact CA-O 3.34Å; V277-A313 HydrophobicContact CG2-CB 3.62Å; V277-A313 PolarHBondContact N-O 3.08Å; V277-A313 PolarHBondContact O-N 3.1Å; A313-I315 HydrophobicContact CB-CG1 4.5Å; A313-V322 CarbonylContact C-O 3.6Å; A313-V322 WeakPolarHBondContact CA-O 3.13Å; A313-F323 HydrophobicContact CB-CD1 3.44Å; A313-F323 VanDerWaalsContact CB-CD1 3.44Å; A313-F323 HydrophobicContact CB-CE1 3.8Å; A313-F323 HydrophobicContact CB-CG 4.13Å
314K92.1Very high92.2Very high152 Ų15262.5 Ų62.566%0.66132%0.315SS*.EExtended strand (participates in β ladder)trans-113.4117.3163.7-67.2-179.3-179.71790106.9S321 V322K314-S321 CarbonylContact O-C 3.52Å; K314-S321 VanDerWaalsContact O-CA 3.28Å; K314-S321 WeakPolarHBondContact O-CA 3.32Å; K314-V322 PolarHBondContact N-O 2.89Å; K314-V322 PolarHBondContact O-N 3.09Å
315I87.9Confident92.4Very high53 Ų5362 Ų6227%0.27231%0.309SS..  trans-100.5123.5-175.2-54.1172.3000107.7M274 A313 T317M274-I315 WeakPolarHBondContact O-CB 3.32Å; A313-I315 HydrophobicContact CB-CG1 4.5Å; I315-T317 HydrophobicContact CG2-CG2 4.49Å
316D85.9Confident92.5Very high59 Ų5966.2 Ų66.232%0.31633%0.325SS..  trans-138.5110.6172.6-176.4-30.2000106.3E318 K319 S320 S321D316-E318 VanDerWaalsContact C-N 3.34Å; D316-E318 PolarHBondContact OD1-N 3.29Å; D316-K319 PolarHBondContact OD1-N 2.96Å; D316-S320 CarbonylContact O-C 3.48Å; D316-S321 PolarHBondContact N-OG 3.09Å; D316-S321 PolarHBondContact O-OG 2.99Å
317T74.8Confident92.5Very high137 Ų13764.1 Ų64.184%0.8433%0.327SS*.SBendtrans-79.4-17.5-176.951.60000112.9I315I315-T317 HydrophobicContact CG2-CG2 4.49Å
318E80Confident92.5Very high177 Ų17763.6 Ų63.683%0.82732%0.324SS*.SBendtrans-90.2-36.7-179.4-64.4-172.7171.200112D316D316-E318 VanDerWaalsContact C-N 3.34Å; D316-E318 PolarHBondContact OD1-N 3.29Å
319K83Confident92.5Very high163 Ų16366 Ų6671%0.70934%0.336SS*.SBendtrans-105.9-88-177.1-62.2176.7-174.9166.90112.3D316D316-K319 PolarHBondContact OD1-N 2.96Å
320S89.6Confident92.5Very high52 Ų5266.3 Ų66.336%0.36434%0.339SS..  trans-156.4125.7-173.8560000109.5D316 T345D316-S320 CarbonylContact O-C 3.48Å; S320-T345 WeakPolarHBondContact CA-O 3.49Å; S320-T345 WeakPolarHBondContact CB-O 3.49Å
321S92.4Very high92.5Very high10 Ų1067.3 Ų67.37%0.0734%0.343CS..  trans-88137.7171.8-60.10000109.6K314 D316 T344 T345K314-S321 CarbonylContact O-C 3.52Å; K314-S321 VanDerWaalsContact O-CA 3.28Å; K314-S321 WeakPolarHBondContact O-CA 3.32Å; D316-S321 PolarHBondContact N-OG 3.09Å; D316-S321 PolarHBondContact O-OG 2.99Å; S321-T344 CarbonylContact O-C 3.47Å; S321-T344 WeakPolarHBondContact O-CA 3.28Å; S321-T345 WeakPolarHBondContact CB-OG1 3.28Å; S321-T345 PolarHBondContact N-OG1 2.8Å; S321-T345 PolarHBondContact O-N 2.95Å; S321-T345 PolarHBondContact O-OG1 2.81Å
322V95.3Very high92.4Very high47 Ų4767.4 Ų67.429%0.28534%0.343SS..EExtended strand (participates in β ladder)trans-117.4124.5-178.4-178.60000108.6A313 K314 V342 T344A313-V322 CarbonylContact C-O 3.6Å; A313-V322 WeakPolarHBondContact CA-O 3.13Å; K314-V322 PolarHBondContact N-O 2.89Å; K314-V322 PolarHBondContact O-N 3.09Å; V322-V342 HydrophobicContact CG1-CG1 3.67Å; V322-T344 HydrophobicContact CG2-CG2 4.08Å
323F95.7Very high92.3Very high62 Ų6266.9 Ų66.927%0.27234%0.343SS..EExtended strand (participates in β ladder)trans-117.1106.9-179.4-62.7-92.4000108.9L311 A313 V342 Y343 T345L311-F323 HydrophobicContact CD1-CB 4.03Å; A313-F323 HydrophobicContact CB-CD1 3.44Å; A313-F323 VanDerWaalsContact CB-CD1 3.44Å; A313-F323 HydrophobicContact CB-CE1 3.8Å; A313-F323 HydrophobicContact CB-CG 4.13Å; F323-V342 CarbonylContact O-C 3.58Å; F323-V342 WeakPolarHBondContact O-CA 3.07Å; F323-Y343 HydrophobicContact CB-CD1 4.49Å; F323-Y343 AromaticContact CD2-CD1 3.77Å; F323-Y343 HydrophobicContact CD2-CD1 3.77Å; F323-Y343 HydrophobicContact CD2-CE1 4.46Å; F323-Y343 HydrophobicContact CE2-CD1 4.42Å; F323-Y343 HydrophobicContact CG-CD1 4.41Å; F323-Y343 PolarHBondContact N-O 3.38Å; F323-Y343 PolarHBondContact O-N 2.92Å; F323-T345 HydrophobicContact CD2-CG2 4.47Å; F323-T345 HydrophobicContact CE2-CG2 3.92Å
324D97.5Very high92.2Very high37 Ų3769.7 Ų69.720%0.19836%0.358CS..EExtended strand (participates in β ladder)trans-106.9100.1-174.6176.110.8000109.9L311 V312 R326 V342L311-D324 WeakPolarHBondContact CA-O 3.21Å; V312-D324 PolarHBondContact N-O 2.8Å; V312-D324 WeakPolarHBondContact O-CB 3.06Å; V312-D324 PolarHBondContact O-N 3.01Å; D324-R326 PolarHBondContact O-N 3.47Å; D324-R326 WeakPolarHBondContact OD1-CG 3.39Å; D324-R326 IonicContact OD1-NE 3.74Å; D324-R326 IonicContact OD2-CZ 3.32Å; D324-R326 VanDerWaalsContact OD2-CZ 3.31Å; D324-R326 IonicContact OD2-NE 3.75Å; D324-R326 PolarHBondContact OD2-NE 2.76Å; D324-R326 IonicContact OD2-NH2 3.69Å; D324-R326 PolarHBondContact OD2-NH2 2.97Å; D324-V342 HydrophobicContact CB-CG2 4.36Å
325Y97.4Very high92.4Very high25 Ų2562.8 Ų62.810%0.09833%0.329CS..EExtended strand (participates in β ladder)trans-9195178.4-171.3-135.2000110.2L281 T307 D308 G309 R310 L311 F328 S340 L341L281-Y325 HydrophobicContact CB-CE2 4.1Å; L281-Y325 PolarHBondContact O-OH 2.75Å; T307-Y325 WeakPolarHBondContact CB-OH 3.32Å; T307-Y325 PolarHBondContact OG1-OH 3.01Å; D308-Y325 PolarHBondContact N-OH 2.69Å; G309-Y325 VanDerWaalsContact C-CE2 3.5Å; G309-Y325 VanDerWaalsContact CA-CE2 3.45Å; G309-Y325 PolarHBondContact N-OH 2.86Å; G309-Y325 VanDerWaalsContact N-OH 3.13Å; R310-Y325 CarbonylContact O-C 3.59Å; L311-Y325 HydrophobicContact CB-CD2 4.26Å; Y325-F328 HydrophobicContact CD1-CB 3.86Å; Y325-F328 AromaticContact CD1-CD1 3.45Å; Y325-F328 HydrophobicContact CD1-CD1 3.45Å; Y325-F328 VanDerWaalsContact CD1-CD1 3.45Å; Y325-F328 HydrophobicContact CD1-CE1 4.19Å; Y325-F328 AromaticContact CD1-CG 3.8Å; Y325-F328 HydrophobicContact CD1-CG 3.8Å; Y325-F328 HydrophobicContact CE1-CB 3.24Å; Y325-F328 AromaticContact CE1-CD1 3.59Å; Y325-F328 HydrophobicContact CE1-CD1 3.59Å; Y325-F328 HydrophobicContact CE1-CD2 4.14Å; Y325-F328 HydrophobicContact CE1-CE1 4.47Å; Y325-F328 AromaticContact CE1-CG 3.4Å; Y325-F328 HydrophobicContact CE1-CG 3.4Å; Y325-F328 VanDerWaalsContact CE1-CG 3.4Å; Y325-F328 HydrophobicContact CE2-CB 4.13Å; Y325-F328 HydrophobicContact CG-CD1 4.33Å; Y325-F328 VanDerWaalsContact CZ-CB 3.4Å; Y325-S340 CarbonylContact O-C 3.59Å; Y325-S340 VanDerWaalsContact O-CA 3.23Å; Y325-S340 WeakPolarHBondContact O-CA 3.23Å; Y325-L341 PolarHBondContact N-O 3.12Å; Y325-L341 PolarHBondContact O-N 2.88Å
326R97.6Very high92.8Very high95 Ų9561.3 Ų61.336%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-92.7137.6-168.9-57.7174.2-166.81666.7112.7R310 D324 F328R310-R326 PolarHBondContact N-O 2.85Å; R310-R326 VanDerWaalsContact N-O 3.09Å; R310-R326 PolarHBondContact O-N 3.05Å; D324-R326 PolarHBondContact O-N 3.47Å; D324-R326 WeakPolarHBondContact OD1-CG 3.39Å; D324-R326 IonicContact OD1-NE 3.74Å; D324-R326 IonicContact OD2-CZ 3.32Å; D324-R326 VanDerWaalsContact OD2-CZ 3.31Å; D324-R326 IonicContact OD2-NE 3.75Å; D324-R326 PolarHBondContact OD2-NE 2.76Å; D324-R326 IonicContact OD2-NH2 3.69Å; D324-R326 PolarHBondContact OD2-NH2 2.97Å; R326-F328 PolarHBondContact O-N 3.12Å; R326-F328 VanDerWaalsContact O-N 3.12Å
327G96.9Very high93.4Very high46 Ų4659.6 Ų59.647%0.47431%0.312SS..EExtended strand (participates in β ladder)trans53.536.6164.300000113.3N329 G339 S340G327-N329 PolarHBondContact O-ND2 2.78Å; G327-G339 CarbonylContact C-O 3.38Å; G327-G339 WeakPolarHBondContact CA-O 3.29Å; G327-G339 PolarHBondContact N-O 2.75Å; G327-S340 PolarHBondContact N-OG 2.7Å
328F98Very high94.5Very high7 Ų754.4 Ų54.43%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-69.3150-179.570.4-95.7000110.4T307 D308 Y325 R326 I337 H338 G339 L341 V356T307-F328 HydrophobicContact CG2-CD2 4.23Å; D308-F328 CarbonylContact O-C 3.14Å; D308-F328 VanDerWaalsContact O-CA 3.31Å; D308-F328 WeakPolarHBondContact O-CA 3.31Å; Y325-F328 HydrophobicContact CD1-CB 3.86Å; Y325-F328 AromaticContact CD1-CD1 3.45Å; Y325-F328 HydrophobicContact CD1-CD1 3.45Å; Y325-F328 VanDerWaalsContact CD1-CD1 3.45Å; Y325-F328 HydrophobicContact CD1-CE1 4.19Å; Y325-F328 AromaticContact CD1-CG 3.8Å; Y325-F328 HydrophobicContact CD1-CG 3.8Å; Y325-F328 HydrophobicContact CE1-CB 3.24Å; Y325-F328 AromaticContact CE1-CD1 3.59Å; Y325-F328 HydrophobicContact CE1-CD1 3.59Å; Y325-F328 HydrophobicContact CE1-CD2 4.14Å; Y325-F328 HydrophobicContact CE1-CE1 4.47Å; Y325-F328 AromaticContact CE1-CG 3.4Å; Y325-F328 HydrophobicContact CE1-CG 3.4Å; Y325-F328 VanDerWaalsContact CE1-CG 3.4Å; Y325-F328 HydrophobicContact CE2-CB 4.13Å; Y325-F328 HydrophobicContact CG-CD1 4.33Å; Y325-F328 VanDerWaalsContact CZ-CB 3.4Å; R326-F328 PolarHBondContact O-N 3.12Å; R326-F328 VanDerWaalsContact O-N 3.12Å; F328-I337 HydrophobicContact CE2-CD1 4.36Å; F328-I337 HydrophobicContact CE2-CG1 4.03Å; F328-I337 HydrophobicContact CE2-CG2 4.37Å; F328-H338 VanDerWaalsContact O-CA 3.22Å; F328-H338 WeakPolarHBondContact O-CA 3.37Å; F328-G339 VanDerWaalsContact CD1-C 3.48Å; F328-G339 WeakPolarHBondContact CD1-O 3.41Å; F328-G339 WeakPolarHBondContact CE1-O 3.28Å; F328-G339 PolarHBondContact N-O 3.15Å; F328-G339 PolarHBondContact O-N 3.04Å; F328-G339 VanDerWaalsContact O-N 3.16Å; F328-L341 HydrophobicContact CE1-CD1 3.97Å; F328-L341 HydrophobicContact CE1-CG 4.03Å; F328-L341 HydrophobicContact CZ-CD1 4.21Å; F328-V356 HydrophobicContact CZ-CG1 4.42Å; F328-V356 HydrophobicContact CZ-CG2 4.23Å
329N98.1Very high95.3Very high89 Ų8946.7 Ų46.748%0.47625%0.247SC..EExtended strand (participates in β ladder)trans-126.9146.2173.2-60.4-88.4000108T307 D308 G327 I337 H338T307-N329 CarbonylContact C-O 3.44Å; T307-N329 WeakPolarHBondContact CA-O 3.35Å; D308-N329 PolarHBondContact N-O 2.86Å; D308-N329 PolarHBondContact O-N 2.75Å; G327-N329 PolarHBondContact O-ND2 2.78Å; N329-I337 CarbonylContact C-O 3.52Å; N329-H338 PolarHBondContact OD1-CE1 3.33Å; N329-H338 PolarHBondContact OD1-ND1 3.39Å
330G97.2Very high96.1Very high14 Ų1441.4 Ų41.414%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-175-169.9-175.400000113.7E306 I337E306-G330 CarbonylContact O-C 3.55Å; E306-G330 WeakPolarHBondContact O-CA 3.49Å; G330-I337 PolarHBondContact N-O 2.89Å; G330-I337 PolarHBondContact O-N 2.87Å
331R97.2Very high96.5Very high138 Ų13840.5 Ų40.552%0.52122%0.221SC..EExtended strand (participates in β ladder)trans-139.3152.2171.6-59.3-174.3-171.1122.1-7.2111.2F305 E306 S335F305-R331 CarbonylContact C-O 3.56Å; F305-R331 WeakPolarHBondContact CA-O 3.43Å; F305-R331 WeakPolarHBondContact CB-O 3.45Å; E306-R331 HydrophobicContact CG-CB 4.16Å; E306-R331 PolarHBondContact N-O 2.81Å; E306-R331 PolarHBondContact O-N 2.76Å; E306-R331 IonicContact OE1-CZ 3.5Å; E306-R331 IonicContact OE1-NH1 3.24Å; E306-R331 PolarHBondContact OE1-NH1 2.8Å; R331-S335 CarbonylContact C-O 3.48Å; R331-S335 WeakPolarHBondContact CA-O 3.33Å; R331-S335 WeakPolarHBondContact CB-O 3.26Å
332I94.7Very high96.7Very high25 Ų2541.7 Ų41.713%0.12823%0.228CC..EExtended strand (participates in β ladder)trans-127.8113.5165.3-61.9175.4000106.1L288 T302 F305 D334 S335 I337L288-I332 HydrophobicContact CD1-CD1 3.73Å; T302-I332 HydrophobicContact CG2-CG2 4.06Å; F305-I332 HydrophobicContact CB-CG1 4.03Å; I332-D334 PolarHBondContact O-N 2.79Å; I332-S335 PolarHBondContact N-O 2.68Å; I332-S335 WeakPolarHBondContact O-CB 3.44Å; I332-S335 PolarHBondContact O-N 3.24Å; I332-I337 HydrophobicContact CD1-CD1 3.56Å; I332-I337 HydrophobicContact CG1-CD1 4.37Å; I332-I337 HydrophobicContact CG1-CG2 4.2Å
333G93.3Very high96.8Very high14 Ų1441.1 Ų41.114%0.14422%0.22CC..THydrogen-bonded Turntrans62-120.9-167.800000110.7P304P304-G333 PolarHBondContact O-N 3.45Å
334D92.4Very high96.9Very high61 Ų6140 Ų4033%0.32622%0.219SC..THydrogen-bonded Turntrans-106.16.7172.6-56.6-54.6000112.2I332 R362 D365 K376I332-D334 PolarHBondContact O-N 2.79Å; D334-R362 IonicContact OD2-CZ 2.85Å; D334-R362 IonicContact OD2-NH1 2.86Å; D334-R362 PolarHBondContact OD2-NH1 3.34Å; D334-D365 PolarHBondContact N-OD2 3.34Å; D334-K376 WeakPolarHBondContact OD1-CD 3.36Å; D334-K376 IonicContact OD1-NZ 2.77Å; D334-K376 PolarHBondContact OD1-NZ 2.88Å
335S95.3Very high96.6Very high7 Ų740.2 Ų40.25%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-85.1135.7174.7-56.10000111R331 I332 Q360 R362 D365R331-S335 CarbonylContact C-O 3.48Å; R331-S335 WeakPolarHBondContact CA-O 3.33Å; R331-S335 WeakPolarHBondContact CB-O 3.26Å; I332-S335 PolarHBondContact N-O 2.68Å; I332-S335 WeakPolarHBondContact O-CB 3.44Å; I332-S335 PolarHBondContact O-N 3.24Å; S335-Q360 WeakPolarHBondContact CA-O 3.32Å; S335-R362 PolarHBondContact OG-N 2.93Å; S335-D365 PolarHBondContact N-OD2 3.41Å; S335-D365 WeakPolarHBondContact OG-CB 3.46Å; S335-D365 PolarHBondContact OG-OD2 3.28Å
336D97.1Very high96.1Very high23 Ų2340.7 Ų40.712%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-78.1148.517274.6-25.9000111H338 S358 R359 Q360D336-H338 IonicContact OD2-CD2 3.29Å; D336-H338 PolarHBondContact OD2-CD2 3.41Å; D336-H338 IonicContact OD2-NE2 3.49Å; D336-H338 PolarHBondContact OD2-NE2 3.32Å; D336-S358 WeakPolarHBondContact O-CA 3.22Å; D336-S358 WeakPolarHBondContact O-CB 3.39Å; D336-S358 PolarHBondContact O-OG 2.93Å; D336-S358 PolarHBondContact OD1-OG 2.71Å; D336-R359 PolarHBondContact OD1-N 3.09Å; D336-R359 WeakPolarHBondContact OD2-CB 3.47Å; D336-R359 IonicContact OD2-CZ 3.38Å; D336-R359 PolarHBondContact OD2-N 3.3Å; D336-R359 IonicContact OD2-NE 2.64Å; D336-R359 PolarHBondContact OD2-NE 2.79Å; D336-R359 IonicContact OD2-NH2 2.77Å; D336-R359 PolarHBondContact OD2-NH2 3.24Å; D336-Q360 PolarHBondContact N-O 2.76Å; D336-Q360 VanDerWaalsContact N-O 3.16Å; D336-Q360 PolarHBondContact OD1-N 3.32Å
337I97.2Very high95.7Very high22 Ų2246 Ų4611%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-138.5136176.9-167.3174.1000110.4T307 F328 N329 G330 I332 V356 E357T307-I337 HydrophobicContact CG2-CG2 4.48Å; F328-I337 HydrophobicContact CE2-CD1 4.36Å; F328-I337 HydrophobicContact CE2-CG1 4.03Å; F328-I337 HydrophobicContact CE2-CG2 4.37Å; N329-I337 CarbonylContact C-O 3.52Å; G330-I337 PolarHBondContact N-O 2.89Å; G330-I337 PolarHBondContact O-N 2.87Å; I332-I337 HydrophobicContact CD1-CD1 3.56Å; I332-I337 HydrophobicContact CG1-CD1 4.37Å; I332-I337 HydrophobicContact CG1-CG2 4.2Å; I337-V356 HydrophobicContact CD1-CG1 3.61Å; I337-V356 HydrophobicContact CG1-CG1 3.5Å; I337-V356 VanDerWaalsContact CG1-CG1 3.5Å; I337-E357 CarbonylContact C-O 3.54Å
338H98.1Very high95.5Very high28 Ų2850 Ų5013%0.1328%0.277CS..EExtended strand (participates in β ladder)trans-141.7154.2-177-53.6-76.6000109.7F328 N329 D336 V356 E357 R359F328-H338 VanDerWaalsContact O-CA 3.22Å; F328-H338 WeakPolarHBondContact O-CA 3.37Å; N329-H338 PolarHBondContact OD1-CE1 3.33Å; N329-H338 PolarHBondContact OD1-ND1 3.39Å; D336-H338 IonicContact OD2-CD2 3.29Å; D336-H338 PolarHBondContact OD2-CD2 3.41Å; D336-H338 IonicContact OD2-NE2 3.49Å; D336-H338 PolarHBondContact OD2-NE2 3.32Å; H338-V356 CarbonylContact O-C 3.46Å; H338-V356 VanDerWaalsContact O-CA 3.31Å; H338-V356 WeakPolarHBondContact O-CA 3.16Å; H338-E357 PolarHBondContact N-O 2.95Å; H338-E357 PolarHBondContact O-N 2.87Å; H338-R359 PolarHBondContact CE1-NH2 3.02Å; H338-R359 PolarHBondContact NE2-NE 3.05Å; H338-R359 PolarHBondContact NE2-NH2 3.09Å
339G98Very high95.2Very high16 Ų1651.5 Ų51.517%0.16528%0.283CS..EExtended strand (participates in β ladder)trans160.4-167.2172.300000115.2G327 F328 D355G327-G339 CarbonylContact C-O 3.38Å; G327-G339 WeakPolarHBondContact CA-O 3.29Å; G327-G339 PolarHBondContact N-O 2.75Å; F328-G339 VanDerWaalsContact CD1-C 3.48Å; F328-G339 WeakPolarHBondContact CD1-O 3.41Å; F328-G339 WeakPolarHBondContact CE1-O 3.28Å; F328-G339 PolarHBondContact N-O 3.15Å; F328-G339 PolarHBondContact O-N 3.04Å; F328-G339 VanDerWaalsContact O-N 3.16Å; G339-D355 CarbonylContact C-O 3.49Å; G339-D355 WeakPolarHBondContact CA-O 3.48Å
340S98.6Very high95.1Very high52 Ų5248.5 Ų48.536%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-136.8135.4168.7-58.50000109.6Y325 G327 G354 D355Y325-S340 CarbonylContact O-C 3.59Å; Y325-S340 VanDerWaalsContact O-CA 3.23Å; Y325-S340 WeakPolarHBondContact O-CA 3.23Å; G327-S340 PolarHBondContact N-OG 2.7Å; S340-G354 WeakPolarHBondContact O-CA 3.18Å; S340-D355 PolarHBondContact N-O 3.39Å; S340-D355 PolarHBondContact O-N 3.07Å; S340-D355 VanDerWaalsContact O-N 3.12Å
341L97.9Very high95.1Very high33 Ų3351.2 Ų51.217%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-130.5135.2179.8-71.7168000110Y325 F328 L352 E353 V356 V417Y325-L341 PolarHBondContact N-O 3.12Å; Y325-L341 PolarHBondContact O-N 2.88Å; F328-L341 HydrophobicContact CE1-CD1 3.97Å; F328-L341 HydrophobicContact CE1-CG 4.03Å; F328-L341 HydrophobicContact CZ-CD1 4.21Å; L341-L352 HydrophobicContact CB-CD1 4.1Å; L341-L352 HydrophobicContact CD2-CD1 4.37Å; L341-L352 HydrophobicContact CD2-CG 4.35Å; L341-E353 CarbonylContact C-O 3.47Å; L341-E353 WeakPolarHBondContact CA-O 3.34Å; L341-V356 HydrophobicContact CD1-CG2 4.37Å; L341-V356 HydrophobicContact CD2-CG2 3.98Å; L341-V356 HydrophobicContact CG-CG2 4.22Å; L341-V417 HydrophobicContact CD2-CG1 4.34Å; L341-V417 HydrophobicContact CD2-CG2 4.04Å
342V98.2Very high95.1Very high34 Ų3445.4 Ų45.421%0.20626%0.255CS..EExtended strand (participates in β ladder)trans-112.9121.3174.8-176.30000108.5V322 F323 D324 L352 E353V322-V342 HydrophobicContact CG1-CG1 3.67Å; F323-V342 CarbonylContact O-C 3.58Å; F323-V342 WeakPolarHBondContact O-CA 3.07Å; D324-V342 HydrophobicContact CB-CG2 4.36Å; V342-L352 CarbonylContact O-C 3.59Å; V342-L352 WeakPolarHBondContact O-CA 3.28Å; V342-E353 HydrophobicContact CB-CG 4.08Å; V342-E353 PolarHBondContact N-O 3.28Å; V342-E353 PolarHBondContact O-N 2.84Å
343Y96.8Very high95.3Very high35 Ų3547.5 Ų47.514%0.13726%0.264CS..EExtended strand (participates in β ladder)trans-107.5118.4173177.5-107.5000109.4V297 F323 T345 P350 K351 L352 M413V297-Y343 HydrophobicContact CG2-CD1 4.28Å; V297-Y343 HydrophobicContact CG2-CD2 4.01Å; V297-Y343 HydrophobicContact CG2-CE1 4.22Å; V297-Y343 HydrophobicContact CG2-CE2 3.94Å; V297-Y343 HydrophobicContact CG2-CG 4.17Å; F323-Y343 HydrophobicContact CB-CD1 4.49Å; F323-Y343 AromaticContact CD2-CD1 3.77Å; F323-Y343 HydrophobicContact CD2-CD1 3.77Å; F323-Y343 HydrophobicContact CD2-CE1 4.46Å; F323-Y343 HydrophobicContact CE2-CD1 4.42Å; F323-Y343 HydrophobicContact CG-CD1 4.41Å; F323-Y343 PolarHBondContact N-O 3.38Å; F323-Y343 PolarHBondContact O-N 2.92Å; Y343-T345 HydrophobicContact CD1-CG2 4.34Å; Y343-T345 HydrophobicContact CE1-CG2 3.7Å; Y343-P350 HydrophobicContact CE2-CB 3.55Å; Y343-P350 HydrophobicContact CE2-CG 4.13Å; Y343-P350 VanDerWaalsContact OH-CB 3.27Å; Y343-P350 WeakPolarHBondContact OH-CB 3.04Å; Y343-P350 WeakPolarHBondContact OH-CG 3.17Å; Y343-K351 CarbonylContact C-O 3.49Å; Y343-K351 WeakPolarHBondContact CA-O 3.04Å; Y343-L352 HydrophobicContact CD2-CB 4.42Å; Y343-L352 HydrophobicContact CD2-CD1 4.46Å; Y343-M413 HydrophobicContact CD2-SD 4.02Å; Y343-M413 HydrophobicContact CE2-CG 4.36Å; Y343-M413 HydrophobicContact CE2-SD 3.57Å; Y343-M413 VanDerWaalsContact CE2-SD 3.57Å
344T96.4Very high95.6Very high40 Ų4047.7 Ų47.725%0.24527%0.266CS..EExtended strand (participates in β ladder)trans-112.3119.2179-58.80000109.5S321 V322 P350 K351S321-T344 CarbonylContact O-C 3.47Å; S321-T344 WeakPolarHBondContact O-CA 3.28Å; V322-T344 HydrophobicContact CG2-CG2 4.08Å; T344-P350 CarbonylContact O-C 3.52Å; T344-P350 VanDerWaalsContact O-CA 3.28Å; T344-P350 WeakPolarHBondContact O-CA 3.29Å; T344-K351 PolarHBondContact N-O 3.07Å; T344-K351 PolarHBondContact O-N 2.99Å
345T92.4Very high95.8Very high41 Ų4148.8 Ų48.825%0.25227%0.272SS..  trans-74.4146.517269.50000109.7S320 S321 F323 Y343S320-T345 WeakPolarHBondContact CA-O 3.49Å; S320-T345 WeakPolarHBondContact CB-O 3.49Å; S321-T345 WeakPolarHBondContact CB-OG1 3.28Å; S321-T345 PolarHBondContact N-OG1 2.8Å; S321-T345 PolarHBondContact O-N 2.95Å; S321-T345 PolarHBondContact O-OG1 2.81Å; F323-T345 HydrophobicContact CD2-CG2 4.47Å; F323-T345 HydrophobicContact CE2-CG2 3.92Å; Y343-T345 HydrophobicContact CD1-CG2 4.34Å; Y343-T345 HydrophobicContact CE1-CG2 3.7Å
346G86.5Confident96Very high34 Ų3449.1 Ų49.135%0.35127%0.274SS..  trans171.5168.2179.500000113.2R349G346-R349 CarbonylContact O-C 3.6Å; G346-R349 WeakPolarHBondContact O-CA 3.47Å; G346-R349 PolarHBondContact O-N 2.9Å
347K88.6Confident96Very high208 Ų20850.6 Ų50.690%0.90428%0.28SS*.SBendtrans-93.2145.3172.8-67.3-178-178.1176.70110.1
348P92.8Very high96Very high130 Ų13049.7 Ų49.784%0.84428%0.275SS*.SBendcis-75.6-19.80.629.8-33.7000113.9
349R92.9Very high95.9Very high38 Ų3855.5 Ų55.514%0.14330%0.296CS..  trans-151.7150.4-174.43-163.5-63.5-76.4-6.5109.9G346 D411 M413 D414 N443G346-R349 CarbonylContact O-C 3.6Å; G346-R349 WeakPolarHBondContact O-CA 3.47Å; G346-R349 PolarHBondContact O-N 2.9Å; R349-D411 WeakPolarHBondContact CD-O 3.5Å; R349-D411 PolarHBondContact NE-O 3.07Å; R349-M413 VanDerWaalsContact NH2-C 3.25Å; R349-M413 PolarHBondContact NH2-O 3.16Å; R349-D414 IonicContact CZ-OD1 3.44Å; R349-D414 IonicContact CZ-OD2 3.91Å; R349-D414 IonicContact NE-OD1 3.55Å; R349-D414 PolarHBondContact NE-OD1 2.89Å; R349-D414 IonicContact NH1-OD1 3.57Å; R349-D414 PolarHBondContact NH1-OD1 2.93Å; R349-D414 IonicContact NH1-OD2 3.6Å; R349-D414 PolarHBondContact NH1-OD2 2.93Å; R349-D414 IonicContact NH2-OD1 3.5Å; R349-D414 PolarHBondContact NH2-OD1 2.83Å; R349-D414 IonicContact NH2-OD2 2.84Å; R349-D414 PolarHBondContact NH2-OD2 2.81Å; R349-N443 VanDerWaalsContact CZ-CA 3.41Å; R349-N443 VanDerWaalsContact NH1-N 3.12Å
350P95.9Very high95.6Very high25 Ų2558.5 Ų58.516%0.16231%0.306CS..  trans-67.6160.6175.927.5-33.9000112.4Y343 T344 V412 M413 D414Y343-P350 HydrophobicContact CE2-CB 3.55Å; Y343-P350 HydrophobicContact CE2-CG 4.13Å; Y343-P350 VanDerWaalsContact OH-CB 3.27Å; Y343-P350 WeakPolarHBondContact OH-CB 3.04Å; Y343-P350 WeakPolarHBondContact OH-CG 3.17Å; T344-P350 CarbonylContact O-C 3.52Å; T344-P350 VanDerWaalsContact O-CA 3.28Å; T344-P350 WeakPolarHBondContact O-CA 3.29Å; P350-V412 WeakPolarHBondContact CD-O 3.29Å; P350-M413 HydrophobicContact CB-CG 4.33Å; P350-M413 HydrophobicContact CG-CB 4.15Å; P350-M413 HydrophobicContact CG-CG 3.95Å; P350-M413 CarbonylContact O-C 3.58Å; P350-M413 WeakPolarHBondContact O-CA 3.33Å; P350-M413 WeakPolarHBondContact O-CG 3.18Å; P350-D414 PolarHBondContact O-N 3.43Å
351K97Very high95.4Very high71 Ų7156.2 Ų56.231%0.30929%0.29SS..EExtended strand (participates in β ladder)trans-128.3132.3178.5-173-176.2-174.8-155.90111.9Y343 T344 E353 D414 D416Y343-K351 CarbonylContact C-O 3.49Å; Y343-K351 WeakPolarHBondContact CA-O 3.04Å; T344-K351 PolarHBondContact N-O 3.07Å; T344-K351 PolarHBondContact O-N 2.99Å; K351-E353 WeakPolarHBondContact CE-OE2 3.27Å; K351-E353 IonicContact NZ-OE2 3.37Å; K351-E353 PolarHBondContact NZ-OE2 3.41Å; K351-D414 CarbonylContact C-O 3.52Å; K351-D414 WeakPolarHBondContact CA-O 3.46Å; K351-D414 HydrophobicContact CB-CB 4.11Å; K351-D414 HydrophobicContact CG-CB 3.91Å; K351-D416 IonicContact NZ-OD2 2.83Å
352L97.8Very high95.1Very high16 Ų1658 Ų588%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-104.8125.6169-176.468.9000110.4V297 L299 L341 V342 Y343 M413 D414 A415 D416V297-L352 HydrophobicContact CG1-CD2 4.17Å; L299-L352 HydrophobicContact CD2-CD2 4.14Å; L341-L352 HydrophobicContact CB-CD1 4.1Å; L341-L352 HydrophobicContact CD2-CD1 4.37Å; L341-L352 HydrophobicContact CD2-CG 4.35Å; V342-L352 CarbonylContact O-C 3.59Å; V342-L352 WeakPolarHBondContact O-CA 3.28Å; Y343-L352 HydrophobicContact CD2-CB 4.42Å; Y343-L352 HydrophobicContact CD2-CD1 4.46Å; L352-M413 HydrophobicContact CB-CE 3.77Å; L352-M413 HydrophobicContact CB-SD 3.99Å; L352-M413 HydrophobicContact CD2-CE 4.17Å; L352-D414 PolarHBondContact N-O 3.05Å; L352-A415 CarbonylContact O-C 3.52Å; L352-A415 WeakPolarHBondContact O-CA 3.21Å; L352-D416 PolarHBondContact O-N 3.11Å
353E98.3Very high94.5Very high70 Ų7059.1 Ų59.133%0.32730%0.298SS..EExtended strand (participates in β ladder)trans-140.7151.5179.963.3-175.5-162.200113.2L341 V342 K351 D416L341-E353 CarbonylContact C-O 3.47Å; L341-E353 WeakPolarHBondContact CA-O 3.34Å; V342-E353 HydrophobicContact CB-CG 4.08Å; V342-E353 PolarHBondContact N-O 3.28Å; V342-E353 PolarHBondContact O-N 2.84Å; K351-E353 WeakPolarHBondContact CE-OE2 3.27Å; K351-E353 IonicContact NZ-OE2 3.37Å; K351-E353 PolarHBondContact NZ-OE2 3.41Å; E353-D416 CarbonylContact C-O 3.55Å; E353-D416 WeakPolarHBondContact CA-O 3.42Å; E353-D416 HydrophobicContact CB-CB 4.08Å; E353-D416 WeakPolarHBondContact CB-O 3.4Å
354G98.5Very high94.1Very high18 Ų1859.1 Ų59.119%0.18631%0.306CS..EExtended strand (participates in β ladder)trans153-167.2174.500000115.4S340 D416 V417 R418S340-G354 WeakPolarHBondContact O-CA 3.18Å; G354-D416 PolarHBondContact N-O 3.48Å; G354-V417 CarbonylContact O-C 3.48Å; G354-V417 WeakPolarHBondContact O-CA 3.34Å; G354-R418 PolarHBondContact O-N 3.09Å
355D98.6Very high93.9Very high84 Ų8457.5 Ų57.545%0.44930%0.296SS..EExtended strand (participates in β ladder)trans-122.7129-176.8-62.1-83.8000109.6G339 S340 R418G339-D355 CarbonylContact C-O 3.49Å; G339-D355 WeakPolarHBondContact CA-O 3.48Å; S340-D355 PolarHBondContact N-O 3.39Å; S340-D355 PolarHBondContact O-N 3.07Å; S340-D355 VanDerWaalsContact O-N 3.12Å; D355-R418 WeakPolarHBondContact CA-O 2.94Å; D355-R418 WeakPolarHBondContact OD1-CB 3.04Å; D355-R418 WeakPolarHBondContact OD1-CD 3.39Å; D355-R418 IonicContact OD1-NH1 3.76Å; D355-R418 IonicContact OD2-NH1 2.88Å
356V98.1Very high93.6Very high14 Ų1457.3 Ų57.39%0.08529%0.293CS..EExtended strand (participates in β ladder)trans-126.4137.6-178.4-178.10000109.1F328 I337 H338 L341 V417 R418 F419 K420F328-V356 HydrophobicContact CZ-CG1 4.42Å; F328-V356 HydrophobicContact CZ-CG2 4.23Å; I337-V356 HydrophobicContact CD1-CG1 3.61Å; I337-V356 HydrophobicContact CG1-CG1 3.5Å; I337-V356 VanDerWaalsContact CG1-CG1 3.5Å; H338-V356 CarbonylContact O-C 3.46Å; H338-V356 VanDerWaalsContact O-CA 3.31Å; H338-V356 WeakPolarHBondContact O-CA 3.16Å; L341-V356 HydrophobicContact CD1-CG2 4.37Å; L341-V356 HydrophobicContact CD2-CG2 3.98Å; L341-V356 HydrophobicContact CG-CG2 4.22Å; V356-V417 HydrophobicContact CB-CG1 4.5Å; V356-V417 HydrophobicContact CG2-CG1 3.92Å; V356-R418 PolarHBondContact N-O 3.06Å; V356-F419 HydrophobicContact CB-CD2 4.01Å; V356-F419 HydrophobicContact CG1-CD2 3.75Å; V356-F419 HydrophobicContact CG1-CE2 4.06Å; V356-F419 CarbonylContact O-C 3.58Å; V356-F419 VanDerWaalsContact O-CA 3.24Å; V356-F419 WeakPolarHBondContact O-CA 3.42Å; V356-K420 PolarHBondContact O-N 2.88Å
357E97.6Very high93.6Very high54 Ų5455.9 Ų55.925%0.25228%0.278SS..EExtended strand (participates in β ladder)trans-138.2139.2-176.3-178.6167.6-139.800111.7I337 H338 K420 R422I337-E357 CarbonylContact C-O 3.54Å; H338-E357 PolarHBondContact N-O 2.95Å; H338-E357 PolarHBondContact O-N 2.87Å; E357-K420 CarbonylContact C-O 3.59Å; E357-K420 VanDerWaalsContact CA-O 3.24Å; E357-K420 WeakPolarHBondContact CA-O 3.38Å; E357-K420 HydrophobicContact CG-CB 4.36Å; E357-R422 IonicContact OE1-CZ 3.92Å; E357-R422 IonicContact OE1-NE 2.86Å; E357-R422 PolarHBondContact OE1-NE 2.79Å; E357-R422 IonicContact OE1-NH2 3.61Å; E357-R422 PolarHBondContact OE1-NH2 2.88Å; E357-R422 IonicContact OE2-NH2 2.68Å; E357-R422 PolarHBondContact OE2-NH2 2.86Å
358S97.3Very high93.4Very high2 Ų247.1 Ų47.11%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-116.3128.7167.5178.20000108.7D336 Q360 L361 K420 G421 R422D336-S358 WeakPolarHBondContact O-CA 3.22Å; D336-S358 WeakPolarHBondContact O-CB 3.39Å; D336-S358 PolarHBondContact O-OG 2.93Å; D336-S358 PolarHBondContact OD1-OG 2.71Å; S358-Q360 PolarHBondContact OG-O 3.14Å; S358-Q360 VanDerWaalsContact OG-O 3.1Å; S358-L361 WeakPolarHBondContact OG-CA 3.11Å; S358-L361 WeakPolarHBondContact OG-CB 3.13Å; S358-L361 PolarHBondContact OG-N 2.87Å; S358-K420 PolarHBondContact N-O 3.09Å; S358-G421 WeakPolarHBondContact O-CA 3.28Å; S358-R422 PolarHBondContact O-N 3.4Å
359R95.2Very high92.9Very high151 Ų15144.4 Ų44.457%0.5722%0.22SC*.EExtended strand (participates in β ladder)trans-83.4-35.4174.8-61172.8-68.1178.1-4.7110.4D336 H338 R423D336-R359 PolarHBondContact OD1-N 3.09Å; D336-R359 WeakPolarHBondContact OD2-CB 3.47Å; D336-R359 IonicContact OD2-CZ 3.38Å; D336-R359 PolarHBondContact OD2-N 3.3Å; D336-R359 IonicContact OD2-NE 2.64Å; D336-R359 PolarHBondContact OD2-NE 2.79Å; D336-R359 IonicContact OD2-NH2 2.77Å; D336-R359 PolarHBondContact OD2-NH2 3.24Å; H338-R359 PolarHBondContact CE1-NH2 3.02Å; H338-R359 PolarHBondContact NE2-NE 3.05Å; H338-R359 PolarHBondContact NE2-NH2 3.09Å; R359-R423 WeakPolarHBondContact O-CB 3.3Å; R359-R423 PolarHBondContact O-N 2.95Å
360Q93.1Very high92.4Very high79 Ų7946.9 Ų46.937%0.36924%0.236SC..EExtended strand (participates in β ladder)trans-128.5102.2174.2-178.4176.4-16.800109.2S335 D336 S358 R423 E425S335-Q360 WeakPolarHBondContact CA-O 3.32Å; D336-Q360 PolarHBondContact N-O 2.76Å; D336-Q360 VanDerWaalsContact N-O 3.16Å; D336-Q360 PolarHBondContact OD1-N 3.32Å; S358-Q360 PolarHBondContact OG-O 3.14Å; S358-Q360 VanDerWaalsContact OG-O 3.1Å; Q360-R423 WeakPolarHBondContact CA-O 3.26Å; Q360-E425 HydrophobicContact CG-CG 4.39Å; Q360-E425 PolarHBondContact NE2-OE1 2.86Å; Q360-E425 PolarHBondContact NE2-OE2 2.85Å
361L93.6Very high91.6Very high4 Ų446.1 Ų46.12%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-104.5124.5-179.3176.861.3000109.5S358 L366 F419 R423 I424 E425 L435S358-L361 WeakPolarHBondContact OG-CA 3.11Å; S358-L361 WeakPolarHBondContact OG-CB 3.13Å; S358-L361 PolarHBondContact OG-N 2.87Å; L361-L366 HydrophobicContact CD1-CD1 4.16Å; L361-L366 HydrophobicContact CD1-CD2 4.02Å; L361-L366 HydrophobicContact CD1-CG 3.98Å; L361-L366 HydrophobicContact CD2-CD1 3.94Å; L361-L366 HydrophobicContact CG-CD1 4.31Å; L361-F419 HydrophobicContact CD1-CZ 4.24Å; L361-F419 HydrophobicContact CD2-CE1 3.94Å; L361-F419 HydrophobicContact CD2-CZ 4.15Å; L361-R423 PolarHBondContact N-O 3.41Å; L361-I424 HydrophobicContact CB-CG1 4.33Å; L361-I424 HydrophobicContact CD2-CG1 4.23Å; L361-I424 CarbonylContact O-C 3.58Å; L361-I424 WeakPolarHBondContact O-CA 3.5Å; L361-E425 PolarHBondContact O-N 2.82Å; L361-L435 HydrophobicContact CD2-CD1 4.41Å
362R91.7Very high90.7Very high70 Ų7045.3 Ų45.326%0.26423%0.233SC..EExtended strand (participates in β ladder)trans-95.1126.4170-63.6177.173.9-147.213109.4D334 S335 A364 D365 E425D334-R362 IonicContact OD2-CZ 2.85Å; D334-R362 IonicContact OD2-NH1 2.86Å; D334-R362 PolarHBondContact OD2-NH1 3.34Å; S335-R362 PolarHBondContact OG-N 2.93Å; R362-A364 PolarHBondContact O-N 2.73Å; R362-D365 IonicContact NH1-OD1 2.89Å; R362-D365 IonicContact NH1-OD2 3.05Å; R362-D365 PolarHBondContact O-N 2.83Å; R362-E425 WeakPolarHBondContact CA-O 3.49Å; R362-E425 HydrophobicContact CG-CB 4Å
363L86.1Confident89.6Confident57 Ų5747.6 Ų47.630%0.29825%0.245SC..G310 helixtrans-61.6-30.9-179.7-169.864.1000112.1D365 L366 E425 H426 I432L363-D365 PolarHBondContact O-N 2.85Å; L363-L366 HydrophobicContact CD1-CB 4.5Å; L363-L366 HydrophobicContact CD1-CD1 4.03Å; L363-L366 WeakPolarHBondContact O-CB 3.31Å; L363-L366 PolarHBondContact O-N 2.64Å; L363-E425 PolarHBondContact N-O 2.84Å; L363-H426 HydrophobicContact CB-CB 4.05Å; L363-H426 HydrophobicContact CD2-CB 4.36Å; L363-H426 WeakPolarHBondContact CD2-CD2 3.49Å; L363-I432 HydrophobicContact CD2-CD1 3.87Å
364A88.5Confident88.5Confident36 Ų3645.6 Ų45.630%0.29824%0.239SC..G310 helixtrans-59.7-29.4174.700000113R362 L366 G367 S374 G375R362-A364 PolarHBondContact O-N 2.73Å; A364-L366 VanDerWaalsContact C-N 3.31Å; A364-G367 PolarHBondContact O-N 2.79Å; A364-S374 CarbonylContact O-C 3.52Å; A364-S374 WeakPolarHBondContact O-CB 3.4Å; A364-S374 PolarHBondContact O-OG 2.77Å; A364-G375 WeakPolarHBondContact O-CA 3.26Å; A364-G375 PolarHBondContact O-N 2.82Å; A364-G375 VanDerWaalsContact O-N 3.13Å
365D91.4Very high87.3Confident6 Ų645.9 Ų45.93%0.03224%0.242CC..G310 helixtrans-81.9-12.6179.1-60.7-30000112.3P303 D334 S335 R362 L363 G375P303-D365 WeakPolarHBondContact CD-O 3.31Å; P303-D365 HydrophobicContact CG-CB 4.2Å; D334-D365 PolarHBondContact N-OD2 3.34Å; S335-D365 PolarHBondContact N-OD2 3.41Å; S335-D365 WeakPolarHBondContact OG-CB 3.46Å; S335-D365 PolarHBondContact OG-OD2 3.28Å; R362-D365 IonicContact NH1-OD1 2.89Å; R362-D365 IonicContact NH1-OD2 3.05Å; R362-D365 PolarHBondContact O-N 2.83Å; L363-D365 PolarHBondContact O-N 2.85Å; D365-G375 WeakPolarHBondContact OD1-CA 3.25Å
366L87.2Confident86.2Confident37 Ų3748 Ų4819%0.19425%0.247CC..G310 helixtrans-86.6-6.3170.1-63.1-177000113.1L361 L363 A364 L369L361-L366 HydrophobicContact CD1-CD1 4.16Å; L361-L366 HydrophobicContact CD1-CD2 4.02Å; L361-L366 HydrophobicContact CD1-CG 3.98Å; L361-L366 HydrophobicContact CD2-CD1 3.94Å; L361-L366 HydrophobicContact CG-CD1 4.31Å; L363-L366 HydrophobicContact CD1-CB 4.5Å; L363-L366 HydrophobicContact CD1-CD1 4.03Å; L363-L366 WeakPolarHBondContact O-CB 3.31Å; L363-L366 PolarHBondContact O-N 2.64Å; A364-L366 VanDerWaalsContact C-N 3.31Å; L366-L369 HydrophobicContact CB-CD1 4.4Å; L366-L369 HydrophobicContact CD2-CD1 3.67Å; L366-L369 VanDerWaalsContact O-CB 3.29Å; L366-L369 WeakPolarHBondContact O-CB 3.29Å; L366-L369 PolarHBondContact O-N 2.75Å; L366-L369 VanDerWaalsContact O-N 3.11Å
367G84.8Confident84.9Confident3 Ų348.7 Ų48.73%0.03126%0.257CS..G310 helixtrans-51.9-50.4-175.800000114.4A364 L369 I370 G371 V372 S374A364-G367 PolarHBondContact O-N 2.79Å; G367-L369 PolarHBondContact O-N 2.84Å; G367-L369 VanDerWaalsContact O-N 3.12Å; G367-I370 CarbonylContact O-C 3.53Å; G367-I370 WeakPolarHBondContact O-CG1 3.3Å; G367-I370 PolarHBondContact O-N 2.79Å; G367-G371 PolarHBondContact O-N 3.36Å; G367-V372 CarbonylContact C-O 3.59Å; G367-V372 VanDerWaalsContact CA-O 3.23Å; G367-V372 WeakPolarHBondContact CA-O 3.44Å; G367-V372 PolarHBondContact O-N 2.86Å; G367-S374 WeakPolarHBondContact CA-OG 3.44Å
368P84.4Confident83.5Confident25 Ų2547 Ų4716%0.16225%0.253CS..G310 helixtrans-56.6-30.5-179.9-31.139.5000113.8D301 P303 I370 G371D301-P368 WeakPolarHBondContact O-CB 3.35Å; P303-P368 HydrophobicContact CG-CG 4.45Å; P368-I370 PolarHBondContact O-N 2.84Å; P368-I370 VanDerWaalsContact O-N 3.16Å; P368-G371 PolarHBondContact O-N 2.81Å
369L83.7Confident82.4Confident72 Ų7253.6 Ų53.638%0.37728%0.283SS..G310 helixtrans-63.3-23.6177.3-54.4-177.9000113.5P300 L366 G367P300-L369 HydrophobicContact CB-CD2 3.38Å; P300-L369 HydrophobicContact CG-CD2 3.6Å; L366-L369 HydrophobicContact CB-CD1 4.4Å; L366-L369 HydrophobicContact CD2-CD1 3.67Å; L366-L369 VanDerWaalsContact O-CB 3.29Å; L366-L369 WeakPolarHBondContact O-CB 3.29Å; L366-L369 PolarHBondContact O-N 2.75Å; L366-L369 VanDerWaalsContact O-N 3.11Å; G367-L369 PolarHBondContact O-N 2.84Å; G367-L369 VanDerWaalsContact O-N 3.12Å
370I81.8Confident81.4Confident91 Ų9151.4 Ų51.447%0.46728%0.277SS..G310 helixtrans-115.910.5-179.860.6164.3000112.6G367 P368 V372 P401G367-I370 CarbonylContact O-C 3.53Å; G367-I370 WeakPolarHBondContact O-CG1 3.3Å; G367-I370 PolarHBondContact O-N 2.79Å; P368-I370 PolarHBondContact O-N 2.84Å; P368-I370 VanDerWaalsContact O-N 3.16Å; I370-V372 HydrophobicContact CD1-CG2 3.87Å; I370-V372 HydrophobicContact CG1-CB 4.32Å; I370-V372 HydrophobicContact CG1-CG2 3.92Å; I370-P401 WeakPolarHBondContact O-CB 3.4Å; I370-P401 WeakPolarHBondContact O-CG 3.44Å
371G79.2Confident80.2Confident8 Ų847.8 Ų47.88%0.08226%0.261CS..THydrogen-bonded Turntrans77.129-17900000114.7G367 P368 P401 D403G367-G371 PolarHBondContact O-N 3.36Å; P368-G371 PolarHBondContact O-N 2.81Å; G371-P401 WeakPolarHBondContact O-CB 3.4Å; G371-D403 VanDerWaalsContact C-OD2 3.3Å
372V78.6Confident79.1Confident54 Ų5450.9 Ų50.933%0.32727%0.274SS..  trans-110.9116.7175179.30000109.8G367 I370 S374 P401G367-V372 CarbonylContact C-O 3.59Å; G367-V372 VanDerWaalsContact CA-O 3.23Å; G367-V372 WeakPolarHBondContact CA-O 3.44Å; G367-V372 PolarHBondContact O-N 2.86Å; I370-V372 HydrophobicContact CD1-CG2 3.87Å; I370-V372 HydrophobicContact CG1-CB 4.32Å; I370-V372 HydrophobicContact CG1-CG2 3.92Å; V372-S374 VanDerWaalsContact C-N 3.32Å; V372-S374 PolarHBondContact O-N 2.83Å; V372-S374 PolarHBondContact O-OG 2.86Å; V372-P401 HydrophobicContact CG2-CB 4.31Å; V372-P401 HydrophobicContact CG2-CG 3.55Å
373D73.8Confident78.2Confident65 Ų6555.5 Ų55.535%0.34829%0.292SS..  trans-60.783.3168.7-71.5-35.6000112.8K382D373-K382 VanDerWaalsContact CB-CE 3.44Å; D373-K382 WeakPolarHBondContact OD1-CE 3.44Å; D373-K382 IonicContact OD1-NZ 2.86Å; D373-K382 WeakPolarHBondContact OD2-CE 3.49Å; D373-K382 IonicContact OD2-NZ 3.57Å; D373-K382 PolarHBondContact OD2-NZ 3Å
374S75.5Confident77.3Confident28 Ų2853 Ų5320%0.19628%0.279CS..  trans-146.9170.6179.156.40000112.2A364 G367 V372A364-S374 CarbonylContact O-C 3.52Å; A364-S374 WeakPolarHBondContact O-CB 3.4Å; A364-S374 PolarHBondContact O-OG 2.77Å; G367-S374 WeakPolarHBondContact CA-OG 3.44Å; V372-S374 VanDerWaalsContact C-N 3.32Å; V372-S374 PolarHBondContact O-N 2.83Å; V372-S374 PolarHBondContact O-OG 2.86Å
375G73.1Confident76.5Confident23 Ų2352.8 Ų52.824%0.23727%0.272CS..SBendtrans95.9169.2-175.300000113.2A364 D365 G377 A378A364-G375 WeakPolarHBondContact O-CA 3.26Å; A364-G375 PolarHBondContact O-N 2.82Å; A364-G375 VanDerWaalsContact O-N 3.13Å; D365-G375 WeakPolarHBondContact OD1-CA 3.25Å; G375-G377 PolarHBondContact O-N 3.46Å; G375-A378 WeakPolarHBondContact O-CB 3.2Å; G375-A378 PolarHBondContact O-N 2.86Å
376K74.8Confident75.3Confident129 Ų12958.3 Ų58.356%0.56130%0.298SS*.THydrogen-bonded Turntrans-71.7129.3-179.4-178.2179.9-178.3-176.50110.3P304 D334 A378P304-K376 WeakPolarHBondContact CD-O 3.44Å; D334-K376 WeakPolarHBondContact OD1-CD 3.36Å; D334-K376 IonicContact OD1-NZ 2.77Å; D334-K376 PolarHBondContact OD1-NZ 2.88Å; K376-A378 VanDerWaalsContact C-N 3.26Å; K376-A378 PolarHBondContact O-N 2.83Å
377G71.5Confident74.2Confident29 Ų2963.1 Ų63.130%0.29932%0.317SS..THydrogen-bonded Turntrans70.324.2-177.500000113G375 E379 K380 S381G375-G377 PolarHBondContact O-N 3.46Å; G377-E379 PolarHBondContact O-N 3.04Å; G377-K380 WeakPolarHBondContact O-CA 3.49Å; G377-K380 VanDerWaalsContact O-CB 3.29Å; G377-K380 WeakPolarHBondContact O-CB 3.39Å; G377-K380 PolarHBondContact O-N 3.49Å; G377-S381 PolarHBondContact O-N 2.69Å
378A69.3Low73.2Confident19 Ų1966.3 Ų66.316%0.15733%0.33CS..Hα-helixtrans-49.4-32170.100000112.1G375 K376 K380 S381 K382G375-A378 WeakPolarHBondContact O-CB 3.2Å; G375-A378 PolarHBondContact O-N 2.86Å; K376-A378 VanDerWaalsContact C-N 3.26Å; K376-A378 PolarHBondContact O-N 2.83Å; A378-K380 VanDerWaalsContact C-N 3.27Å; A378-K380 PolarHBondContact O-N 3.05Å; A378-S381 PolarHBondContact O-N 2.9Å; A378-K382 WeakPolarHBondContact O-CB 3.42Å; A378-K382 WeakPolarHBondContact O-CG 3.34Å; A378-K382 PolarHBondContact O-N 2.68Å
379E72.3Confident71.8Confident140 Ų14068.3 Ų68.365%0.65436%0.355SS*.Hα-helixtrans-59.9-30.9171.6-64.6-175.7-177.800114.5G377 R383G377-E379 PolarHBondContact O-N 3.04Å; E379-R383 VanDerWaalsContact O-CG 3.28Å; E379-R383 WeakPolarHBondContact O-CG 3.39Å; E379-R383 PolarHBondContact O-N 3.4Å; E379-R383 VanDerWaalsContact O-N 3.15Å
380K74.6Confident70.7Confident104 Ų10467.1 Ų67.145%0.45235%0.348SS..Hα-helixtrans-77-45.9176.8-62.6-176170-1660111.2D286 P304 G377 A378 K382 R383 S384D286-K380 HydrophobicContact CB-CB 4.35Å; D286-K380 WeakPolarHBondContact OD1-CD 3.33Å; D286-K380 IonicContact OD1-NZ 3.29Å; P304-K380 HydrophobicContact CG-CD 4.13Å; G377-K380 WeakPolarHBondContact O-CA 3.49Å; G377-K380 VanDerWaalsContact O-CB 3.29Å; G377-K380 WeakPolarHBondContact O-CB 3.39Å; G377-K380 PolarHBondContact O-N 3.49Å; A378-K380 VanDerWaalsContact C-N 3.27Å; A378-K380 PolarHBondContact O-N 3.05Å; K380-K382 VanDerWaalsContact C-N 3.28Å; K380-K382 PolarHBondContact O-N 2.69Å; K380-R383 WeakPolarHBondContact O-CA 3.11Å; K380-R383 WeakPolarHBondContact O-CB 3.22Å; K380-R383 PolarHBondContact O-N 3.27Å; K380-S384 PolarHBondContact O-N 2.71Å
381S67.6Low69.2Low3 Ų370.9 Ų70.92%0.02136%0.361CS..Hα-helixtrans-56.5-45.4172.2-51.40000110.6T302 P303 G377 A378 R383 S384 E385T302-S381 PolarHBondContact O-OG 3.3Å; P303-S381 WeakPolarHBondContact CA-OG 3.46Å; G377-S381 PolarHBondContact O-N 2.69Å; A378-S381 PolarHBondContact O-N 2.9Å; S381-R383 VanDerWaalsContact C-N 3.3Å; S381-R383 PolarHBondContact O-N 2.97Å; S381-S384 WeakPolarHBondContact O-CA 3.39Å; S381-S384 WeakPolarHBondContact O-CB 3.4Å; S381-S384 PolarHBondContact O-N 2.64Å; S381-E385 WeakPolarHBondContact O-CG 3Å; S381-E385 PolarHBondContact O-N 2.98Å
382K71Confident68.1Low69 Ų6972.4 Ų72.430%0.337%0.37SS..Hα-helixtrans-53.9-41.7171.1-77.5177.1-178.1-1490113.7D373 A378 K380 Q386D373-K382 VanDerWaalsContact CB-CE 3.44Å; D373-K382 WeakPolarHBondContact OD1-CE 3.44Å; D373-K382 IonicContact OD1-NZ 2.86Å; D373-K382 WeakPolarHBondContact OD2-CE 3.49Å; D373-K382 IonicContact OD2-NZ 3.57Å; D373-K382 PolarHBondContact OD2-NZ 3Å; A378-K382 WeakPolarHBondContact O-CB 3.42Å; A378-K382 WeakPolarHBondContact O-CG 3.34Å; A378-K382 PolarHBondContact O-N 2.68Å; K380-K382 VanDerWaalsContact C-N 3.28Å; K380-K382 PolarHBondContact O-N 2.69Å; K382-Q386 VanDerWaalsContact O-CB 3.22Å; K382-Q386 WeakPolarHBondContact O-CB 3.44Å; K382-Q386 WeakPolarHBondContact O-CG 3.47Å; K382-Q386 PolarHBondContact O-N 3.1Å
383R72.9Confident67.7Low167 Ų16774.5 Ų74.563%0.6338%0.383SS*.Hα-helixtrans-69.1-36.4177.8-75.3173.5-167.7-1545.5111.3E379 K380 S381 K387E379-R383 VanDerWaalsContact O-CG 3.28Å; E379-R383 WeakPolarHBondContact O-CG 3.39Å; E379-R383 PolarHBondContact O-N 3.4Å; E379-R383 VanDerWaalsContact O-N 3.15Å; K380-R383 WeakPolarHBondContact O-CA 3.11Å; K380-R383 WeakPolarHBondContact O-CB 3.22Å; K380-R383 PolarHBondContact O-N 3.27Å; S381-R383 VanDerWaalsContact C-N 3.3Å; S381-R383 PolarHBondContact O-N 2.97Å; R383-K387 WeakPolarHBondContact O-CG 3.45Å; R383-K387 PolarHBondContact O-N 2.85Å; R383-K387 VanDerWaalsContact O-N 3.1Å
384S68.3Low68.2Low6 Ų674.4 Ų74.44%0.04238%0.38CS..Hα-helixtrans-63.8-46.7172.7-72.60000111.5D290 K380 S381 K387 K388D290-S384 PolarHBondContact OD2-OG 2.93Å; K380-S384 PolarHBondContact O-N 2.71Å; S381-S384 WeakPolarHBondContact O-CA 3.39Å; S381-S384 WeakPolarHBondContact O-CB 3.4Å; S381-S384 PolarHBondContact O-N 2.64Å; S384-K387 WeakPolarHBondContact O-CB 3.48Å; S384-K387 PolarHBondContact O-N 2.89Å; S384-K388 WeakPolarHBondContact O-CG 3.46Å; S384-K388 PolarHBondContact O-N 3.19Å
385E69.9Low68.7Low30 Ų3075.2 Ų75.214%0.1439%0.385CS..Hα-helixtrans-63.6-43175.9-66.9165.6-169.900112S381 K387 K388 G389 E390S381-E385 WeakPolarHBondContact O-CG 3Å; S381-E385 PolarHBondContact O-N 2.98Å; E385-K387 VanDerWaalsContact C-N 3.31Å; E385-K387 PolarHBondContact O-N 3.02Å; E385-K388 WeakPolarHBondContact O-CA 3.26Å; E385-K388 WeakPolarHBondContact O-CB 3.45Å; E385-K388 PolarHBondContact O-N 2.97Å; E385-G389 PolarHBondContact O-N 2.88Å; E385-E390 HydrophobicContact CB-CB 4.4Å; E385-E390 WeakPolarHBondContact CB-OE2 3.42Å; E385-E390 PolarHBondContact O-N 2.84Å
386Q66.6Low69.1Low123 Ų12379.1 Ų79.158%0.57542%0.415SS*.Hα-helixtrans-60.3-37.9176.3-79.8172.12.400112.8K382 K388 G389K382-Q386 VanDerWaalsContact O-CB 3.22Å; K382-Q386 WeakPolarHBondContact O-CB 3.44Å; K382-Q386 WeakPolarHBondContact O-CG 3.47Å; K382-Q386 PolarHBondContact O-N 3.1Å; Q386-K388 PolarHBondContact O-N 3.01Å; Q386-G389 PolarHBondContact O-N 2.95Å
387K64Low69.5Low138 Ų13874.3 Ų74.360%0.640%0.402SS*.Hα-helixtrans-63.3-32.2174.1-80.8-178.6168.6-164.40111.9E228 R383 S384 E385 G389E228-K387 IonicContact OE1-NZ 3.78Å; E228-K387 PolarHBondContact OE1-NZ 3.38Å; R383-K387 WeakPolarHBondContact O-CG 3.45Å; R383-K387 PolarHBondContact O-N 2.85Å; R383-K387 VanDerWaalsContact O-N 3.1Å; S384-K387 WeakPolarHBondContact O-CB 3.48Å; S384-K387 PolarHBondContact O-N 2.89Å; E385-K387 VanDerWaalsContact C-N 3.31Å; E385-K387 PolarHBondContact O-N 3.02Å; K387-G389 VanDerWaalsContact C-N 3.28Å; K387-G389 PolarHBondContact O-N 2.8Å
388K65Low70.4Confident70 Ų7074.9 Ų74.930%0.30440%0.396SS..Hα-helixtrans-78.3-7.3178.2-63.6172.1-170.8171.10113.5D290 D301 S384 E385 Q386 E390D290-K388 VanDerWaalsContact OD1-CE 3.3Å; D290-K388 WeakPolarHBondContact OD1-CE 2.92Å; D290-K388 IonicContact OD1-NZ 3.05Å; D290-K388 PolarHBondContact OD1-NZ 2.85Å; D301-K388 IonicContact OD1-NZ 3.31Å; D301-K388 PolarHBondContact OD1-NZ 2.88Å; D301-K388 IonicContact OD2-NZ 2.71Å; S384-K388 WeakPolarHBondContact O-CG 3.46Å; S384-K388 PolarHBondContact O-N 3.19Å; E385-K388 WeakPolarHBondContact O-CA 3.26Å; E385-K388 WeakPolarHBondContact O-CB 3.45Å; E385-K388 PolarHBondContact O-N 2.97Å; Q386-K388 PolarHBondContact O-N 3.01Å; K388-E390 HydrophobicContact CB-CG 3.99Å; K388-E390 WeakPolarHBondContact CB-OE1 3.25Å; K388-E390 WeakPolarHBondContact CD-OE1 3.46Å
389G55.1Low71.5Confident67 Ų6777.8 Ų77.869%0.69141%0.411SS*.THydrogen-bonded Turntrans84.213.3-179.400000114E385 Q386 K387 K391E385-G389 PolarHBondContact O-N 2.88Å; Q386-G389 PolarHBondContact O-N 2.95Å; K387-G389 VanDerWaalsContact C-N 3.28Å; K387-G389 PolarHBondContact O-N 2.8Å; G389-K391 PolarHBondContact O-N 3.03Å
390E59.4Low72.5Confident47 Ų4772.3 Ų72.322%0.2239%0.387CS..  trans-85100.5-177.8-62.7160-160.600109E385 K388E385-E390 HydrophobicContact CB-CB 4.4Å; E385-E390 WeakPolarHBondContact CB-OE2 3.42Å; E385-E390 PolarHBondContact O-N 2.84Å; K388-E390 HydrophobicContact CB-CG 3.99Å; K388-E390 WeakPolarHBondContact CB-OE1 3.25Å; K388-E390 WeakPolarHBondContact CD-OE1 3.46Å
391K49.8Very low73.3Confident169 Ų16968 Ų6874%0.73537%0.369SS*.  trans-126112.2172.7-151.4-175.4-168.9-174.80111G389 V393G389-K391 PolarHBondContact O-N 3.03Å; K391-V393 HydrophobicContact CD-CG2 4.21Å; K391-V393 HydrophobicContact CG-CG2 4.14Å
392S57.5Low74.4Confident40 Ų4070.8 Ų70.828%0.2838%0.38SS..  trans-119.4121.7146.7-155.60000105.8Y402 D403S392-Y402 VanDerWaalsContact CB-O 3.28Å; S392-Y402 WeakPolarHBondContact CB-O 3.48Å; S392-Y402 WeakPolarHBondContact OG-CB 3.45Å; S392-Y402 PolarHBondContact OG-O 2.88Å; S392-D403 WeakPolarHBondContact CB-OD1 3.39Å
393V69Low75.2Confident98 Ų9868.9 Ų68.959%0.59437%0.373SS*.  trans-87121.5171.5177.40000105.8K391 P395K391-V393 HydrophobicContact CD-CG2 4.21Å; K391-V393 HydrophobicContact CG-CG2 4.14Å; V393-P395 WeakPolarHBondContact O-CD 3.5Å
394Q84.8Confident75.9Confident63 Ų6368.8 Ų68.829%0.29437%0.373SS..  trans-52.7114.2173.6-18063-20.600109.5V399 L400 Y402Q394-V399 PolarHBondContact NE2-O 3.33Å; Q394-L400 PolarHBondContact NE2-O 3.16Å; Q394-L400 PolarHBondContact OE1-O 3.24Å; Q394-Y402 VanDerWaalsContact OE1-CD2 3.26Å
395P85.5Confident76.9Confident46 Ų4670.5 Ų70.530%0.29938%0.379SS..  trans-64.3142.5-172.3-20.231000111.4V393 G397 K398 Y402V393-P395 WeakPolarHBondContact O-CD 3.5Å; P395-G397 PolarHBondContact O-N 3.2Å; P395-K398 HydrophobicContact CB-CB 4.34Å; P395-K398 HydrophobicContact CB-CG 3.76Å; P395-K398 HydrophobicContact CG-CG 4.21Å; P395-K398 WeakPolarHBondContact O-CB 3.3Å; P395-K398 PolarHBondContact O-N 3.31Å; P395-Y402 VanDerWaalsContact CD-CD2 3.44Å; P395-Y402 HydrophobicContact CG-CD1 4.21Å; P395-Y402 HydrophobicContact CG-CD2 3.97Å; P395-Y402 HydrophobicContact CG-CE1 4.26Å; P395-Y402 HydrophobicContact CG-CE2 4.02Å; P395-Y402 HydrophobicContact CG-CG 4.06Å
396A82.9Confident77.6Confident105 Ų10572.5 Ų72.587%0.86839%0.389SS*.THydrogen-bonded Turntrans-58.4132.8176.600000110.4K398A396-K398 VanDerWaalsContact C-N 3.34Å
397G83.3Confident78.6Confident27 Ų2767 Ų6728%0.27836%0.363SS..THydrogen-bonded Turntrans86.1-4.3179.900000115.8P395 K632P395-G397 PolarHBondContact O-N 3.2Å; G397-K632 WeakPolarHBondContact O-CB 3.46Å
398K90.2Very high79.8Confident42 Ų4265.5 Ų65.518%0.18336%0.362CS..  trans-96.9151.1176.5-61.8-63.9-176.61590111.9P395 A396 Y402 S602 E603P395-K398 HydrophobicContact CB-CB 4.34Å; P395-K398 HydrophobicContact CB-CG 3.76Å; P395-K398 HydrophobicContact CG-CG 4.21Å; P395-K398 WeakPolarHBondContact O-CB 3.3Å; P395-K398 PolarHBondContact O-N 3.31Å; A396-K398 VanDerWaalsContact C-N 3.34Å; K398-Y402 HydrophobicContact CB-CE2 4.03Å; K398-Y402 HydrophobicContact CD-CE2 4.47Å; K398-Y402 HydrophobicContact CG-CE2 4.03Å; K398-S602 PolarHBondContact NZ-O 3.11Å; K398-E603 VanDerWaalsContact CB-OE1 3.25Å; K398-E603 WeakPolarHBondContact CB-OE1 3.19Å; K398-E603 HydrophobicContact CD-CB 3.96Å; K398-E603 HydrophobicContact CD-CG 4Å; K398-E603 VanDerWaalsContact CD-OE1 3.26Å; K398-E603 WeakPolarHBondContact CD-OE1 3.4Å
399V91.5Very high80.8Confident79 Ų7965.4 Ų65.448%0.47936%0.362SS..  trans-114-38.5179.4-176.60000110.7Q394 E603 F631 K632Q394-V399 PolarHBondContact NE2-O 3.33Å; V399-E603 WeakPolarHBondContact CA-OE2 3.43Å; V399-E603 WeakPolarHBondContact CB-OE2 3.26Å; V399-E603 PolarHBondContact N-OE1 3.18Å; V399-E603 PolarHBondContact N-OE2 3.44Å; V399-F631 HydrophobicContact CG2-CB 4.13Å; V399-K632 HydrophobicContact CG2-CB 3.64Å; V399-K632 HydrophobicContact CG2-CG 4.17Å
400L93.4Very high82.7Confident26 Ų2663.8 Ų63.814%0.13633%0.334CS..SBendtrans-68.1136.7-179.2-61.3-179.1000110.6Q394 Y402 A517 L520 F600 E603Q394-L400 PolarHBondContact NE2-O 3.16Å; Q394-L400 PolarHBondContact OE1-O 3.24Å; L400-Y402 WeakPolarHBondContact O-CD2 3.3Å; L400-Y402 PolarHBondContact O-N 3.14Å; L400-A517 HydrophobicContact CB-CB 3.76Å; L400-L520 HydrophobicContact CD1-CB 4.21Å; L400-L520 HydrophobicContact CD1-CD1 4.08Å; L400-L520 HydrophobicContact CD2-CD1 3.83Å; L400-F600 HydrophobicContact CD1-CB 4.2Å; L400-F600 HydrophobicContact CD1-CD1 4.46Å; L400-E603 HydrophobicContact CD1-CG 4.07Å; L400-E603 HydrophobicContact CG-CG 4.15Å; L400-E603 PolarHBondContact N-OE1 2.94Å; L400-E603 PolarHBondContact N-OE2 3.04Å
401P92.2Very high84.3Confident13 Ų1365.7 Ų65.78%0.08435%0.346CS..  trans-63.2128.6-179.9-28.837.1000114.7I370 G371 V372 V516 A517I370-P401 WeakPolarHBondContact O-CB 3.4Å; I370-P401 WeakPolarHBondContact O-CG 3.44Å; G371-P401 WeakPolarHBondContact O-CB 3.4Å; V372-P401 HydrophobicContact CG2-CB 4.31Å; V372-P401 HydrophobicContact CG2-CG 3.55Å; P401-V516 HydrophobicContact CB-CB 4.07Å; P401-V516 HydrophobicContact CB-CG2 4.27Å; P401-V516 HydrophobicContact CG-CB 4.14Å; P401-V516 HydrophobicContact CG-CG2 4.32Å; P401-A517 WeakPolarHBondContact O-CB 3.42Å; P401-A517 PolarHBondContact O-N 2.66Å
402Y90.2Very high86.3Confident61 Ų6159.9 Ų59.924%0.23933%0.325CS..  trans-99.7-8177.4-84.9-102000114.4S392 Q394 P395 K398 L400 A517S392-Y402 VanDerWaalsContact CB-O 3.28Å; S392-Y402 WeakPolarHBondContact CB-O 3.48Å; S392-Y402 WeakPolarHBondContact OG-CB 3.45Å; S392-Y402 PolarHBondContact OG-O 2.88Å; Q394-Y402 VanDerWaalsContact OE1-CD2 3.26Å; P395-Y402 VanDerWaalsContact CD-CD2 3.44Å; P395-Y402 HydrophobicContact CG-CD1 4.21Å; P395-Y402 HydrophobicContact CG-CD2 3.97Å; P395-Y402 HydrophobicContact CG-CE1 4.26Å; P395-Y402 HydrophobicContact CG-CE2 4.02Å; P395-Y402 HydrophobicContact CG-CG 4.06Å; K398-Y402 HydrophobicContact CB-CE2 4.03Å; K398-Y402 HydrophobicContact CD-CE2 4.47Å; K398-Y402 HydrophobicContact CG-CE2 4.03Å; L400-Y402 WeakPolarHBondContact O-CD2 3.3Å; L400-Y402 PolarHBondContact O-N 3.14Å; Y402-A517 HydrophobicContact CD1-CB 4.3Å; Y402-A517 HydrophobicContact CD2-CB 3.69Å; Y402-A517 HydrophobicContact CE1-CB 4.23Å; Y402-A517 HydrophobicContact CE2-CB 3.63Å; Y402-A517 HydrophobicContact CG-CB 4.04Å
403D86.7Confident88.1Confident30 Ų3058.1 Ų58.116%0.1631%0.312CS..PPolyproline II helixtrans-64.3142.2177.9-59.3-20.6000110.7G371 S392 S515G371-D403 VanDerWaalsContact C-OD2 3.3Å; S392-D403 WeakPolarHBondContact CB-OD1 3.39Å; D403-S515 WeakPolarHBondContact O-CB 3.32Å
404R88.3Confident89.5Confident165 Ų16554.7 Ų54.762%0.62329%0.291SS*.PPolyproline II helixtrans-95.8132.5-169.5-66.5175.260.783.41.5110.4N514R404-N514 CarbonylContact C-O 3.51Å; R404-N514 WeakPolarHBondContact CA-O 3.45Å; R404-N514 PolarHBondContact NH2-ND2 3.01Å
405F89.3Confident90.1Very high42 Ų4252.3 Ų52.318%0.18428%0.282CS..PPolyproline II helixtrans-69128.5166.1-53.5-59.9000110.3T407 W410 M473 N514 V516 L519F405-T407 VanDerWaalsContact C-N 3.28Å; F405-T407 HydrophobicContact CB-CG2 4.29Å; F405-T407 PolarHBondContact O-N 2.99Å; F405-W410 HydrophobicContact CB-CZ2 4Å; F405-W410 HydrophobicContact CG-CZ2 4.49Å; F405-M473 HydrophobicContact CD2-CE 3.72Å; F405-M473 HydrophobicContact CE2-CE 4.25Å; F405-N514 VanDerWaalsContact CD2-O 3.31Å; F405-N514 WeakPolarHBondContact CD2-O 3.42Å; F405-N514 PolarHBondContact N-O 2.86Å; F405-V516 HydrophobicContact CE2-CG2 4.43Å; F405-V516 HydrophobicContact CZ-CG2 4Å; F405-L519 HydrophobicContact CE2-CD1 4.42Å
406E84.1Confident90.7Very high72 Ų7252.2 Ų52.234%0.33628%0.278SS..  trans-79.569.3177.1-60.4-157.812700112.3D408 K409 W410E406-D408 PolarHBondContact O-N 3.28Å; E406-D408 VanDerWaalsContact O-N 3.12Å; E406-K409 PolarHBondContact O-N 3.24Å; E406-K409 IonicContact OE1-NZ 2.8Å; E406-K409 WeakPolarHBondContact OE2-CD 3.41Å; E406-K409 WeakPolarHBondContact OE2-CE 3.35Å; E406-K409 IonicContact OE2-NZ 2.69Å; E406-K409 PolarHBondContact OE2-NZ 2.89Å; E406-W410 VanDerWaalsContact O-CD1 3.28Å
407T89.4Confident91.4Very high6 Ų648 Ų484%0.03724%0.242CC..G310 helixtrans-64-20.2-175.259.50000113.8F405 K409 W410 M473F405-T407 VanDerWaalsContact C-N 3.28Å; F405-T407 HydrophobicContact CB-CG2 4.29Å; F405-T407 PolarHBondContact O-N 2.99Å; T407-K409 PolarHBondContact O-N 3.22Å; T407-W410 HydrophobicContact CG2-CD2 4.25Å; T407-W410 HydrophobicContact CG2-CE3 4.27Å; T407-W410 HydrophobicContact CG2-CH2 4.29Å; T407-W410 HydrophobicContact CG2-CZ2 4.29Å; T407-W410 HydrophobicContact CG2-CZ3 4.29Å; T407-W410 WeakPolarHBondContact O-CB 3.31Å; T407-W410 PolarHBondContact O-N 2.97Å; T407-M473 HydrophobicContact CG2-CB 4.18Å; T407-M473 HydrophobicContact CG2-CG 4.26Å; T407-M473 HydrophobicContact CG2-SD 3.69Å
408D87.9Confident92.2Very high108 Ų10852.4 Ų52.458%0.57825%0.25SS*.G310 helixtrans-65.3-15.6178.4-69.2-34.4000113.7E406 K471E406-D408 PolarHBondContact O-N 3.28Å; E406-D408 VanDerWaalsContact O-N 3.12Å; D408-K471 WeakPolarHBondContact OD1-CE 3.24Å; D408-K471 IonicContact OD1-NZ 2.66Å; D408-K471 PolarHBondContact OD1-NZ 3.12Å
409K86.9Confident92.5Very high68 Ų6851.8 Ų51.830%0.29625%0.248SC..G310 helixtrans-99.4-7.2174.9-64.2176.3-174.7160.10112.5L298 E406 T407 D411 V412L298-K409 HydrophobicContact CD1-CB 4.09Å; L298-K409 HydrophobicContact CD1-CD 4.33Å; L298-K409 HydrophobicContact CD2-CB 4.17Å; L298-K409 VanDerWaalsContact CD2-O 3.24Å; L298-K409 WeakPolarHBondContact CD2-O 3.33Å; E406-K409 PolarHBondContact O-N 3.24Å; E406-K409 IonicContact OE1-NZ 2.8Å; E406-K409 WeakPolarHBondContact OE2-CD 3.41Å; E406-K409 WeakPolarHBondContact OE2-CE 3.35Å; E406-K409 IonicContact OE2-NZ 2.69Å; E406-K409 PolarHBondContact OE2-NZ 2.89Å; T407-K409 PolarHBondContact O-N 3.22Å; K409-D411 PolarHBondContact O-N 2.96Å; K409-V412 WeakPolarHBondContact O-CG1 3.39Å; K409-V412 WeakPolarHBondContact O-CG2 3.38Å; K409-V412 PolarHBondContact O-N 2.89Å
410W93.6Very high92.8Very high32 Ų3253.5 Ų53.512%0.12125%0.249CC..THydrogen-bonded Turntrans-73-13.2-170.6-72.814.3000114.4F405 E406 T407 L441 A444 L446 L466 M473F405-W410 HydrophobicContact CB-CZ2 4Å; F405-W410 HydrophobicContact CG-CZ2 4.49Å; E406-W410 VanDerWaalsContact O-CD1 3.28Å; T407-W410 HydrophobicContact CG2-CD2 4.25Å; T407-W410 HydrophobicContact CG2-CE3 4.27Å; T407-W410 HydrophobicContact CG2-CH2 4.29Å; T407-W410 HydrophobicContact CG2-CZ2 4.29Å; T407-W410 HydrophobicContact CG2-CZ3 4.29Å; T407-W410 WeakPolarHBondContact O-CB 3.31Å; T407-W410 PolarHBondContact O-N 2.97Å; W410-L441 HydrophobicContact CB-CD1 4.25Å; W410-L441 HydrophobicContact CE3-CD1 4.5Å; W410-A444 HydrophobicContact CB-CB 3.84Å; W410-A444 WeakPolarHBondContact O-CA 3.46Å; W410-A444 PolarHBondContact O-N 3.21Å; W410-L446 HydrophobicContact CE3-CB 4.05Å; W410-L446 HydrophobicContact CH2-CB 4.22Å; W410-L446 HydrophobicContact CH2-CD2 3.66Å; W410-L446 HydrophobicContact CZ2-CD2 4.07Å; W410-L446 HydrophobicContact CZ3-CB 3.66Å; W410-L446 HydrophobicContact CZ3-CD2 4Å; W410-L446 HydrophobicContact CZ3-CG 4.49Å; W410-L466 HydrophobicContact CH2-CB 4.21Å; W410-L466 HydrophobicContact CH2-CD1 4.05Å; W410-L466 HydrophobicContact CZ3-CB 3.94Å; W410-M473 HydrophobicContact CH2-SD 3.72Å; W410-M473 HydrophobicContact CZ3-SD 3.78Å
411D93.3Very high92.9Very high87 Ų8752.3 Ų52.347%0.46524%0.243SC..THydrogen-bonded Turntrans-88.8-8.9175.563.6-17.3000113.4R349 K409 M413 A444R349-D411 WeakPolarHBondContact CD-O 3.5Å; R349-D411 PolarHBondContact NE-O 3.07Å; K409-D411 PolarHBondContact O-N 2.96Å; D411-M413 VanDerWaalsContact C-N 3.26Å; D411-M413 PolarHBondContact O-N 3.18Å; D411-A444 HydrophobicContact CB-CB 4.11Å
412V92.5Very high92.9Very high47 Ų4758.6 Ų58.629%0.28527%0.265SS..SBendtrans-69-21.5-176.8-53.20000113.9Y292 L298 P350 K409Y292-V412 HydrophobicContact CE2-CG2 4.41Å; L298-V412 HydrophobicContact CB-CG2 3.95Å; L298-V412 HydrophobicContact CD2-CG2 4Å; P350-V412 WeakPolarHBondContact CD-O 3.29Å; K409-V412 WeakPolarHBondContact O-CG1 3.39Å; K409-V412 WeakPolarHBondContact O-CG2 3.38Å; K409-V412 PolarHBondContact O-N 2.89Å
413M95.4Very high92.9Very high4 Ų463.5 Ų63.52%0.0228%0.283CS..  trans-153.9157.2-174.1-172.8-179.174.400111.5V297 L298 Y343 R349 P350 L352 D411V297-M413 HydrophobicContact CG1-CE 4.17Å; V297-M413 HydrophobicContact CG1-SD 4.01Å; L298-M413 HydrophobicContact CB-CE 4.33Å; L298-M413 WeakPolarHBondContact O-CE 3.14Å; Y343-M413 HydrophobicContact CD2-SD 4.02Å; Y343-M413 HydrophobicContact CE2-CG 4.36Å; Y343-M413 HydrophobicContact CE2-SD 3.57Å; Y343-M413 VanDerWaalsContact CE2-SD 3.57Å; R349-M413 VanDerWaalsContact NH2-C 3.25Å; R349-M413 PolarHBondContact NH2-O 3.16Å; P350-M413 HydrophobicContact CB-CG 4.33Å; P350-M413 HydrophobicContact CG-CB 4.15Å; P350-M413 HydrophobicContact CG-CG 3.95Å; P350-M413 CarbonylContact O-C 3.58Å; P350-M413 WeakPolarHBondContact O-CA 3.33Å; P350-M413 WeakPolarHBondContact O-CG 3.18Å; L352-M413 HydrophobicContact CB-CE 3.77Å; L352-M413 HydrophobicContact CB-SD 3.99Å; L352-M413 HydrophobicContact CD2-CE 4.17Å; D411-M413 VanDerWaalsContact C-N 3.26Å; D411-M413 PolarHBondContact O-N 3.18Å
414D97.4Very high93Very high26 Ų2662.9 Ų62.914%0.13928%0.28CS..EExtended strand (participates in β ladder)trans-97.1149.8165.5-63.472.5000111R349 P350 K351 L352 L441R349-D414 IonicContact CZ-OD1 3.44Å; R349-D414 IonicContact CZ-OD2 3.91Å; R349-D414 IonicContact NE-OD1 3.55Å; R349-D414 PolarHBondContact NE-OD1 2.89Å; R349-D414 IonicContact NH1-OD1 3.57Å; R349-D414 PolarHBondContact NH1-OD1 2.93Å; R349-D414 IonicContact NH1-OD2 3.6Å; R349-D414 PolarHBondContact NH1-OD2 2.93Å; R349-D414 IonicContact NH2-OD1 3.5Å; R349-D414 PolarHBondContact NH2-OD1 2.83Å; R349-D414 IonicContact NH2-OD2 2.84Å; R349-D414 PolarHBondContact NH2-OD2 2.81Å; P350-D414 PolarHBondContact O-N 3.43Å; K351-D414 CarbonylContact C-O 3.52Å; K351-D414 WeakPolarHBondContact CA-O 3.46Å; K351-D414 HydrophobicContact CB-CB 4.11Å; K351-D414 HydrophobicContact CG-CB 3.91Å; L352-D414 PolarHBondContact N-O 3.05Å; D414-L441 CarbonylContact C-O 3.55Å; D414-L441 WeakPolarHBondContact CA-O 3.21Å
415A97.9Very high92.8Very high13 Ų1358.4 Ų58.411%0.10727%0.265CS..EExtended strand (participates in β ladder)trans-134.5145.2172.200000112.2L352 I440 L441L352-A415 CarbonylContact O-C 3.52Å; L352-A415 WeakPolarHBondContact O-CA 3.21Å; A415-I440 CarbonylContact O-C 3.59Å; A415-I440 WeakPolarHBondContact O-CA 3.29Å; A415-L441 HydrophobicContact CB-CB 3.8Å; A415-L441 PolarHBondContact N-O 2.84Å; A415-L441 PolarHBondContact O-N 2.99Å
416D98.5Very high92.1Very high43 Ų4359.4 Ų59.423%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-144.880.7174.9-171.7-19.7000108.7K351 L352 E353 G354 H438 I439K351-D416 IonicContact NZ-OD2 2.83Å; L352-D416 PolarHBondContact O-N 3.11Å; E353-D416 CarbonylContact C-O 3.55Å; E353-D416 WeakPolarHBondContact CA-O 3.42Å; E353-D416 HydrophobicContact CB-CB 4.08Å; E353-D416 WeakPolarHBondContact CB-O 3.4Å; G354-D416 PolarHBondContact N-O 3.48Å; D416-H438 IonicContact OD1-CD2 2.96Å; D416-H438 IonicContact OD1-CE1 3.49Å; D416-H438 IonicContact OD1-NE2 3.65Å; D416-H438 PolarHBondContact OD1-NE2 3.31Å; D416-I439 WeakPolarHBondContact CA-O 3.06Å
417V98.4Very high91.3Very high18 Ų1859.8 Ų59.811%0.10929%0.294CS..EExtended strand (participates in β ladder)trans-120.5128.5-170.3179.90000110.3L341 G354 V356 I439L341-V417 HydrophobicContact CD2-CG1 4.34Å; L341-V417 HydrophobicContact CD2-CG2 4.04Å; G354-V417 CarbonylContact O-C 3.48Å; G354-V417 WeakPolarHBondContact O-CA 3.34Å; V356-V417 HydrophobicContact CB-CG1 4.5Å; V356-V417 HydrophobicContact CG2-CG1 3.92Å; V417-I439 HydrophobicContact CB-CB 4.47Å; V417-I439 PolarHBondContact N-O 3.47Å; V417-I439 WeakPolarHBondContact O-CB 3.45Å; V417-I439 PolarHBondContact O-N 3.35Å
418R98.7Very high90Very high118 Ų11864.6 Ų64.645%0.44533%0.328SS..EExtended strand (participates in β ladder)trans-98124.2170.5-57.8-175.2-170.193.28.1109.3G354 D355 V356 T437G354-R418 PolarHBondContact O-N 3.09Å; D355-R418 WeakPolarHBondContact CA-O 2.94Å; D355-R418 WeakPolarHBondContact OD1-CB 3.04Å; D355-R418 WeakPolarHBondContact OD1-CD 3.39Å; D355-R418 IonicContact OD1-NH1 3.76Å; D355-R418 IonicContact OD2-NH1 2.88Å; V356-R418 PolarHBondContact N-O 3.06Å; R418-T437 WeakPolarHBondContact CA-O 3.37Å
419F97.9Very high88.9Confident30 Ų3061.4 Ų61.413%0.13231%0.314CS..EExtended strand (participates in β ladder)trans-112.2138.4177.5-179.9-102.6000111.2V356 L361 L435 S436 T437 I439V356-F419 HydrophobicContact CB-CD2 4.01Å; V356-F419 HydrophobicContact CG1-CD2 3.75Å; V356-F419 HydrophobicContact CG1-CE2 4.06Å; V356-F419 CarbonylContact O-C 3.58Å; V356-F419 VanDerWaalsContact O-CA 3.24Å; V356-F419 WeakPolarHBondContact O-CA 3.42Å; L361-F419 HydrophobicContact CD1-CZ 4.24Å; L361-F419 HydrophobicContact CD2-CE1 3.94Å; L361-F419 HydrophobicContact CD2-CZ 4.15Å; F419-L435 HydrophobicContact CD1-CD2 3.58Å; F419-L435 HydrophobicContact CE1-CD2 3.72Å; F419-S436 CarbonylContact O-C 3.57Å; F419-S436 VanDerWaalsContact O-CA 3.3Å; F419-S436 WeakPolarHBondContact O-CA 3.03Å; F419-T437 HydrophobicContact CB-CG2 3.87Å; F419-T437 HydrophobicContact CD1-CG2 4.29Å; F419-T437 PolarHBondContact N-O 3.36Å; F419-T437 PolarHBondContact O-N 3.3Å; F419-I439 HydrophobicContact CB-CD1 4.37Å
420K97.8Very high88.1Confident115 Ų11560.6 Ų60.650%0.531%0.312SS..EExtended strand (participates in β ladder)trans-131.4130173.5-66.8179.7-177.8172.80111.1V356 E357 S358 L435V356-K420 PolarHBondContact O-N 2.88Å; E357-K420 CarbonylContact C-O 3.59Å; E357-K420 VanDerWaalsContact CA-O 3.24Å; E357-K420 WeakPolarHBondContact CA-O 3.38Å; E357-K420 HydrophobicContact CG-CB 4.36Å; S358-K420 PolarHBondContact N-O 3.09Å; K420-L435 CarbonylContact C-O 3.57Å; K420-L435 VanDerWaalsContact CA-O 3.28Å; K420-L435 WeakPolarHBondContact CA-O 3.15Å
421G95.6Very high87.1Confident1 Ų162.3 Ų62.31%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-117112.9169.800000110.2S358 D434 L435S358-G421 WeakPolarHBondContact O-CA 3.28Å; G421-D434 CarbonylContact O-C 3.54Å; G421-D434 WeakPolarHBondContact O-CA 3.46Å; G421-L435 PolarHBondContact N-O 2.92Å; G421-L435 PolarHBondContact O-N 3.26Å
422R91.4Very high86.7Confident145 Ų14559.2 Ų59.255%0.54731%0.311SS..EExtended strand (participates in β ladder)trans-76.8-72.4-175.2-62.7-167-174.2-175.28.3112.4E357 S358 D434E357-R422 IonicContact OE1-CZ 3.92Å; E357-R422 IonicContact OE1-NE 2.86Å; E357-R422 PolarHBondContact OE1-NE 2.79Å; E357-R422 IonicContact OE1-NH2 3.61Å; E357-R422 PolarHBondContact OE1-NH2 2.88Å; E357-R422 IonicContact OE2-NH2 2.68Å; E357-R422 PolarHBondContact OE2-NH2 2.86Å; S358-R422 PolarHBondContact O-N 3.4Å; R422-D434 PolarHBondContact O-N 2.85Å
423R90.7Very high86.6Confident164 Ų16459.1 Ų59.162%0.61931%0.312SS*.EExtended strand (participates in β ladder)trans-91.3124.1175.7-176.8-176.3178.295.80.7108.1R359 Q360 L361 E425R359-R423 WeakPolarHBondContact O-CB 3.3Å; R359-R423 PolarHBondContact O-N 2.95Å; Q360-R423 WeakPolarHBondContact CA-O 3.26Å; L361-R423 PolarHBondContact N-O 3.41Å; R423-E425 IonicContact NE-OE1 3.21Å
424I88.4Confident86.4Confident17 Ų1764 Ų649%0.08734%0.338CS..EExtended strand (participates in β ladder)trans-112.6119-179.7-53.2168.3000108.5L361 I432 L435L361-I424 HydrophobicContact CB-CG1 4.33Å; L361-I424 HydrophobicContact CD2-CG1 4.23Å; L361-I424 CarbonylContact O-C 3.58Å; L361-I424 WeakPolarHBondContact O-CA 3.5Å; I424-I432 HydrophobicContact CB-CB 4.27Å; I424-I432 WeakPolarHBondContact CB-O 3.47Å; I424-I432 HydrophobicContact CD1-CB 4.29Å; I424-I432 HydrophobicContact CD1-CG2 3.64Å; I424-I432 HydrophobicContact CG2-CB 4.12Å; I424-I432 HydrophobicContact CG2-CG2 4.39Å; I424-L435 HydrophobicContact CD1-CB 3.43Å; I424-L435 VanDerWaalsContact CD1-CB 3.43Å; I424-L435 HydrophobicContact CD1-CD1 4.46Å
425E84.4Confident86.3Confident70 Ų7063.6 Ų63.633%0.32734%0.336SS..EExtended strand (participates in β ladder)trans-92.6118.4172.8-69.9-173.6163.600109.1Q360 L361 R362 L363 R423Q360-E425 HydrophobicContact CG-CG 4.39Å; Q360-E425 PolarHBondContact NE2-OE1 2.86Å; Q360-E425 PolarHBondContact NE2-OE2 2.85Å; L361-E425 PolarHBondContact O-N 2.82Å; R362-E425 WeakPolarHBondContact CA-O 3.49Å; R362-E425 HydrophobicContact CG-CB 4Å; L363-E425 PolarHBondContact N-O 2.84Å; R423-E425 IonicContact NE-OE1 3.21Å
426H74.7Confident86.3Confident64 Ų6464.9 Ų64.930%0.29635%0.345SS..  trans-142.6104177.8169.2-93.4000108.5L363 L430L363-H426 HydrophobicContact CB-CB 4.05Å; L363-H426 HydrophobicContact CD2-CB 4.36Å; L363-H426 WeakPolarHBondContact CD2-CD2 3.49Å; H426-L430 PolarHBondContact ND1-O 3.05Å
427G67.5Low86.3Confident79 Ų7963.6 Ų63.681%0.81434%0.338SS*.THydrogen-bonded Turntrans41.3-151.8173.700000114.9
428S61Low86.3Confident108 Ų10864.6 Ų64.676%0.75534%0.342SS*.THydrogen-bonded Turntrans-103-6.3172.752.60000113.8
429S65.4Low86.2Confident41 Ų4161.4 Ų61.429%0.28733%0.333SS..THydrogen-bonded Turntrans-108.5-20-15759.70000116.9P491 D492S429-P491 WeakPolarHBondContact O-CD 3.22Å; S429-P491 WeakPolarHBondContact O-CG 3.41Å; S429-D492 WeakPolarHBondContact CB-OD2 3.45Å
430L70.3Confident86.3Confident50 Ų5062.1 Ų62.126%0.26234%0.337SS..  trans-147113.1-178.5-78.1171.7000111.4H426 I432 L489H426-L430 PolarHBondContact ND1-O 3.05Å; L430-I432 PolarHBondContact O-N 3.33Å; L430-L489 HydrophobicContact CD2-CD2 4.42Å; L430-L489 WeakPolarHBondContact CD2-O 3.34Å
431P71.4Confident86.3Confident68 Ų6857.4 Ų57.444%0.44232%0.318SS..  trans-74.3115176.929.3-31.5000109.7M455 A456P431-M455 WeakPolarHBondContact O-CA 3.43Å; P431-A456 PolarHBondContact O-N 3.34Å
432I85.3Confident86.3Confident22 Ų2264.1 Ų64.111%0.11335%0.346CS..EExtended strand (participates in β ladder)trans-107.1142.8169.9-50.3-177.9000107.3L363 I424 L430 F453 G454 M455L363-I432 HydrophobicContact CD2-CD1 3.87Å; I424-I432 HydrophobicContact CB-CB 4.27Å; I424-I432 WeakPolarHBondContact CB-O 3.47Å; I424-I432 HydrophobicContact CD1-CB 4.29Å; I424-I432 HydrophobicContact CD1-CG2 3.64Å; I424-I432 HydrophobicContact CG2-CB 4.12Å; I424-I432 HydrophobicContact CG2-CG2 4.39Å; L430-I432 PolarHBondContact O-N 3.33Å; I432-F453 HydrophobicContact CG2-CB 4.05Å; I432-F453 HydrophobicContact CG2-CD2 3.71Å; I432-F453 HydrophobicContact CG2-CG 4.16Å; I432-G454 CarbonylContact C-O 3.57Å; I432-G454 VanDerWaalsContact CA-O 3.26Å; I432-G454 WeakPolarHBondContact CA-O 3.1Å; I432-G454 WeakPolarHBondContact CG2-O 3.39Å; I432-M455 HydrophobicContact CD1-CE 4.28Å; I432-M455 HydrophobicContact CG1-CE 4.34Å
433S90.2Very high86.6Confident45 Ų4561.8 Ų61.832%0.31535%0.345SS..EExtended strand (participates in β ladder)trans-143.5166175.775.70000112.1L435 F453 G454S433-L435 VanDerWaalsContact C-N 3.31Å; S433-L435 PolarHBondContact O-N 3.43Å; S433-L435 VanDerWaalsContact O-N 3.12Å; S433-F453 CarbonylContact O-C 3.55Å; S433-G454 PolarHBondContact N-O 3.25Å; S433-G454 PolarHBondContact O-N 2.77Å
434D91.5Very high86.8Confident106 Ų10654.1 Ų54.157%0.56732%0.317SS*.EExtended strand (participates in β ladder)trans50.645.5163.9-53-68000114.4G421 R422 S436G421-D434 CarbonylContact O-C 3.54Å; G421-D434 WeakPolarHBondContact O-CA 3.46Å; R422-D434 PolarHBondContact O-N 2.85Å; D434-S436 PolarHBondContact O-N 2.88Å
435L95.5Very high87.3Confident19 Ų1954.6 Ų54.610%0.09932%0.319CS..EExtended strand (participates in β ladder)trans-66.5131.3176.2-177.2157.4000109.3L361 F419 K420 G421 I424 S433 T437 L451 K452 F453L361-L435 HydrophobicContact CD2-CD1 4.41Å; F419-L435 HydrophobicContact CD1-CD2 3.58Å; F419-L435 HydrophobicContact CE1-CD2 3.72Å; K420-L435 CarbonylContact C-O 3.57Å; K420-L435 VanDerWaalsContact CA-O 3.28Å; K420-L435 WeakPolarHBondContact CA-O 3.15Å; G421-L435 PolarHBondContact N-O 2.92Å; G421-L435 PolarHBondContact O-N 3.26Å; I424-L435 HydrophobicContact CD1-CB 3.43Å; I424-L435 VanDerWaalsContact CD1-CB 3.43Å; I424-L435 HydrophobicContact CD1-CD1 4.46Å; S433-L435 VanDerWaalsContact C-N 3.31Å; S433-L435 PolarHBondContact O-N 3.43Å; S433-L435 VanDerWaalsContact O-N 3.12Å; L435-T437 HydrophobicContact CD2-CG2 4.45Å; L435-L451 HydrophobicContact CD1-CD1 4.48Å; L435-L451 HydrophobicContact CD2-CD1 4.49Å; L435-L451 HydrophobicContact CG-CD1 4.27Å; L435-K452 CarbonylContact C-O 3.56Å; L435-K452 VanDerWaalsContact CA-O 3.22Å; L435-K452 WeakPolarHBondContact CA-O 3.43Å; L435-F453 HydrophobicContact CB-CB 4.11Å; L435-F453 HydrophobicContact CG-CB 4.46Å
436S97.7Very high87.9Confident40 Ų4052.9 Ų52.928%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-140.5137170.656.50000109.7F419 D434 L451 K452F419-S436 CarbonylContact O-C 3.57Å; F419-S436 VanDerWaalsContact O-CA 3.3Å; F419-S436 WeakPolarHBondContact O-CA 3.03Å; D434-S436 PolarHBondContact O-N 2.88Å; S436-L451 CarbonylContact O-C 3.58Å; S436-L451 WeakPolarHBondContact O-CA 3.39Å; S436-K452 PolarHBondContact N-O 3.26Å; S436-K452 PolarHBondContact O-N 3.26Å
437T97.8Very high89Confident15 Ų1554.5 Ų54.59%0.09232%0.316CS..EExtended strand (participates in β ladder)trans-144.6145175.3-172.90000111.4R418 F419 L435 I439 P450R418-T437 WeakPolarHBondContact CA-O 3.37Å; F419-T437 HydrophobicContact CB-CG2 3.87Å; F419-T437 HydrophobicContact CD1-CG2 4.29Å; F419-T437 PolarHBondContact N-O 3.36Å; F419-T437 PolarHBondContact O-N 3.3Å; L435-T437 HydrophobicContact CD2-CG2 4.45Å; T437-I439 HydrophobicContact CG2-CD1 4.2Å; T437-I439 HydrophobicContact CG2-CG1 3.9Å; T437-P450 VanDerWaalsContact CA-O 3.32Å; T437-P450 WeakPolarHBondContact CA-O 3.36Å
438H98.6Very high90.5Very high40 Ų4052.7 Ų52.719%0.18529%0.288CS..EExtended strand (participates in β ladder)trans-108.5108.6169.4-173.8-174000108.1D416 L448 Q449D416-H438 IonicContact OD1-CD2 2.96Å; D416-H438 IonicContact OD1-CE1 3.49Å; D416-H438 IonicContact OD1-NE2 3.65Å; D416-H438 PolarHBondContact OD1-NE2 3.31Å; H438-L448 WeakPolarHBondContact O-CA 3.34Å; H438-Q449 WeakPolarHBondContact CB-O 3.19Å; H438-Q449 PolarHBondContact O-N 2.86Å
439I98.1Very high92.2Very high50 Ų5052.2 Ų52.226%0.25627%0.273SS..EExtended strand (participates in β ladder)trans-92.6114-176.3-50.4169.6000107.8D416 V417 F419 T437 L446 R447 L448D416-I439 WeakPolarHBondContact CA-O 3.06Å; V417-I439 HydrophobicContact CB-CB 4.47Å; V417-I439 PolarHBondContact N-O 3.47Å; V417-I439 WeakPolarHBondContact O-CB 3.45Å; V417-I439 PolarHBondContact O-N 3.35Å; F419-I439 HydrophobicContact CB-CD1 4.37Å; T437-I439 HydrophobicContact CG2-CD1 4.2Å; T437-I439 HydrophobicContact CG2-CG1 3.9Å; I439-L446 HydrophobicContact CG2-CD1 3.89Å; I439-R447 WeakPolarHBondContact CA-O 3.44Å; I439-L448 HydrophobicContact CB-CD2 4.18Å; I439-L448 HydrophobicContact CG1-CD2 3.75Å; I439-L448 HydrophobicContact CG2-CD2 4.09Å
440I98.4Very high93.8Very high45 Ų4552.4 Ų52.423%0.23127%0.273CS..EExtended strand (participates in β ladder)trans-120.9117.8178.9-55.9168.6000107.7A415 L446 R447A415-I440 CarbonylContact O-C 3.59Å; A415-I440 WeakPolarHBondContact O-CA 3.29Å; I440-L446 CarbonylContact O-C 3.57Å; I440-L446 WeakPolarHBondContact O-CA 3.17Å; I440-R447 HydrophobicContact CB-CB 4.37Å; I440-R447 PolarHBondContact N-O 2.83Å; I440-R447 PolarHBondContact O-N 3.42Å
441L97.7Very high95.1Very high16 Ų1651.4 Ų51.48%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-113.2116.9171.1178.465.4000108.4W410 D414 A415 D445 L446W410-L441 HydrophobicContact CB-CD1 4.25Å; W410-L441 HydrophobicContact CE3-CD1 4.5Å; D414-L441 CarbonylContact C-O 3.55Å; D414-L441 WeakPolarHBondContact CA-O 3.21Å; A415-L441 HydrophobicContact CB-CB 3.8Å; A415-L441 PolarHBondContact N-O 2.84Å; A415-L441 PolarHBondContact O-N 2.99Å; L441-D445 CarbonylContact C-O 3.53Å; L441-D445 WeakPolarHBondContact CA-O 3.26Å; L441-L446 HydrophobicContact CB-CD1 4.24Å; L441-L446 HydrophobicContact CD1-CB 4.04Å; L441-L446 HydrophobicContact CD1-CD1 4.45Å
442K97Very high96.3Very high142 Ų14253 Ų5362%0.61727%0.268SS*.EExtended strand (participates in β ladder)trans-139109.5179.8-174.2175.6-177.7178.40111D445K442-D445 PolarHBondContact N-O 2.91Å; K442-D445 WeakPolarHBondContact O-CB 3.44Å; K442-D445 PolarHBondContact O-N 3.42Å
443N96Very high96.8Very high96 Ų9653.7 Ų53.751%0.51327%0.271SS..THydrogen-bonded Turntrans54.157.2-179.9-169.566.2000111.7R349 D445R349-N443 VanDerWaalsContact CZ-CA 3.41Å; R349-N443 VanDerWaalsContact NH1-N 3.12Å; N443-D445 PolarHBondContact O-N 2.77Å; N443-D445 VanDerWaalsContact O-N 3.09Å
444A96.4Very high97Very high4 Ų452.2 Ų52.23%0.03326%0.262CS..THydrogen-bonded Turntrans59.97.4-17200000116.3W410 D411 G468 D469W410-A444 HydrophobicContact CB-CB 3.84Å; W410-A444 WeakPolarHBondContact O-CA 3.46Å; W410-A444 PolarHBondContact O-N 3.21Å; D411-A444 HydrophobicContact CB-CB 4.11Å; A444-G468 VanDerWaalsContact O-CA 3.31Å; A444-G468 WeakPolarHBondContact O-CA 2.96Å; A444-G468 PolarHBondContact O-N 3.29Å; A444-D469 HydrophobicContact CB-CB 4.27Å
445D97.7Very high97Very high26 Ų2648.6 Ų48.614%0.13924%0.242CC..EExtended strand (participates in β ladder)trans-91.1106.3172.5-164.381.2000109.7L441 K442 N443 R447 H465L441-D445 CarbonylContact C-O 3.53Å; L441-D445 WeakPolarHBondContact CA-O 3.26Å; K442-D445 PolarHBondContact N-O 2.91Å; K442-D445 WeakPolarHBondContact O-CB 3.44Å; K442-D445 PolarHBondContact O-N 3.42Å; N443-D445 PolarHBondContact O-N 2.77Å; N443-D445 VanDerWaalsContact O-N 3.09Å; D445-R447 IonicContact OD2-CZ 3.39Å; D445-R447 VanDerWaalsContact OD2-CZ 3.23Å; D445-R447 IonicContact OD2-NE 3.7Å; D445-R447 PolarHBondContact OD2-NE 2.97Å; D445-R447 IonicContact OD2-NH2 2.7Å; D445-R447 PolarHBondContact OD2-NH2 2.95Å; D445-H465 VanDerWaalsContact CG-NE2 3.32Å; D445-H465 IonicContact OD1-CD2 3.6Å; D445-H465 IonicContact OD1-CE1 3.66Å; D445-H465 IonicContact OD1-NE2 2.9Å; D445-H465 PolarHBondContact OD1-NE2 2.87Å; D445-H465 IonicContact OD2-CD2 2.63Å; D445-H465 IonicContact OD2-NE2 2.66Å; D445-H465 PolarHBondContact OD2-NE2 2.8Å
446L97.8Very high96.7Very high34 Ų3447.8 Ų47.818%0.17824%0.238CC..EExtended strand (participates in β ladder)trans-98130.5179.3179.263.4000110.7W410 I439 I440 L441 L466W410-L446 HydrophobicContact CE3-CB 4.05Å; W410-L446 HydrophobicContact CH2-CB 4.22Å; W410-L446 HydrophobicContact CH2-CD2 3.66Å; W410-L446 HydrophobicContact CZ2-CD2 4.07Å; W410-L446 HydrophobicContact CZ3-CB 3.66Å; W410-L446 HydrophobicContact CZ3-CD2 4Å; W410-L446 HydrophobicContact CZ3-CG 4.49Å; I439-L446 HydrophobicContact CG2-CD1 3.89Å; I440-L446 CarbonylContact O-C 3.57Å; I440-L446 WeakPolarHBondContact O-CA 3.17Å; L441-L446 HydrophobicContact CB-CD1 4.24Å; L441-L446 HydrophobicContact CD1-CB 4.04Å; L441-L446 HydrophobicContact CD1-CD1 4.45Å; L446-L466 HydrophobicContact CB-CB 4.32Å; L446-L466 HydrophobicContact CD2-CD1 4.28Å; L446-L466 PolarHBondContact N-O 3.14Å; L446-L466 PolarHBondContact O-N 2.95Å
447R98.5Very high96.4Very high98 Ų9848.2 Ų48.237%0.3725%0.249SC..EExtended strand (participates in β ladder)trans-130.7138.6176.8-56.4-176.4-171.5-175.10.6111.5I439 I440 D445 I464I439-R447 WeakPolarHBondContact CA-O 3.44Å; I440-R447 HydrophobicContact CB-CB 4.37Å; I440-R447 PolarHBondContact N-O 2.83Å; I440-R447 PolarHBondContact O-N 3.42Å; D445-R447 IonicContact OD2-CZ 3.39Å; D445-R447 VanDerWaalsContact OD2-CZ 3.23Å; D445-R447 IonicContact OD2-NE 3.7Å; D445-R447 PolarHBondContact OD2-NE 2.97Å; D445-R447 IonicContact OD2-NH2 2.7Å; D445-R447 PolarHBondContact OD2-NH2 2.95Å; R447-I464 CarbonylContact C-O 3.56Å; R447-I464 VanDerWaalsContact CA-O 3.26Å; R447-I464 WeakPolarHBondContact CA-O 3.28Å
448L98.1Very high96.2Very high42 Ų4248.1 Ų48.122%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-112.597.9165.4-54.2-178.8000107.3H438 I439 L451 N463 I464H438-L448 WeakPolarHBondContact O-CA 3.34Å; I439-L448 HydrophobicContact CB-CD2 4.18Å; I439-L448 HydrophobicContact CG1-CD2 3.75Å; I439-L448 HydrophobicContact CG2-CD2 4.09Å; L448-L451 HydrophobicContact CB-CB 4.29Å; L448-N463 WeakPolarHBondContact O-CA 3.45Å; L448-I464 HydrophobicContact CB-CB 4.15Å; L448-I464 HydrophobicContact CD1-CB 4.4Å; L448-I464 HydrophobicContact CD1-CD1 4.05Å; L448-I464 HydrophobicContact CG-CB 4.42Å; L448-I464 PolarHBondContact N-O 2.86Å; L448-I464 PolarHBondContact O-N 2.86Å; L448-I464 VanDerWaalsContact O-N 3.08Å
449Q97Very high96.1Very high98 Ų9848.8 Ų48.846%0.45826%0.26SS..EExtended strand (participates in β ladder)trans-137.394.6-165.8-170.9178.1-15.700113.3H438H438-Q449 WeakPolarHBondContact CB-O 3.19Å; H438-Q449 PolarHBondContact O-N 2.86Å
450P98Very high96.1Very high44 Ų4447.4 Ų47.429%0.28625%0.253SS..EExtended strand (participates in β ladder)cis-93.8153-7.636.4-32.1000111.3T437 K452 A462T437-P450 VanDerWaalsContact CA-O 3.32Å; T437-P450 WeakPolarHBondContact CA-O 3.36Å; P450-K452 HydrophobicContact CB-CD 4.35Å; P450-K452 HydrophobicContact CB-CG 4.02Å; P450-K452 HydrophobicContact CG-CD 3.87Å; P450-K452 VanDerWaalsContact CG-CE 3.42Å; P450-K452 HydrophobicContact CG-CG 4.01Å; P450-A462 CarbonylContact C-O 3.52Å; P450-A462 WeakPolarHBondContact CA-O 3.46Å
451L97.6Very high96.1Very high30 Ų3046.5 Ų46.516%0.15725%0.252CS..EExtended strand (participates in β ladder)trans-86.2117.1157.6171.362.1000108.6L435 S436 L448 F453 A461 A462 I464L435-L451 HydrophobicContact CD1-CD1 4.48Å; L435-L451 HydrophobicContact CD2-CD1 4.49Å; L435-L451 HydrophobicContact CG-CD1 4.27Å; S436-L451 CarbonylContact O-C 3.58Å; S436-L451 WeakPolarHBondContact O-CA 3.39Å; L448-L451 HydrophobicContact CB-CB 4.29Å; L451-F453 HydrophobicContact CD1-CD1 4.42Å; L451-F453 HydrophobicContact CG-CD1 4.35Å; L451-F453 HydrophobicContact CG-CE1 4.38Å; L451-A461 CarbonylContact O-C 3.54Å; L451-A461 WeakPolarHBondContact O-CA 3.11Å; L451-A462 HydrophobicContact CB-CB 4.44Å; L451-A462 PolarHBondContact N-O 2.79Å; L451-A462 PolarHBondContact O-N 2.83Å; L451-I464 HydrophobicContact CD2-CD1 3.99Å
452K98Very high96.1Very high101 Ų10146 Ų4644%0.43925%0.25SC..EExtended strand (participates in β ladder)trans-127.7144.3179.7-67.1177.1172.7171.90110.6L435 S436 P450 I460 A461L435-K452 CarbonylContact C-O 3.56Å; L435-K452 VanDerWaalsContact CA-O 3.22Å; L435-K452 WeakPolarHBondContact CA-O 3.43Å; S436-K452 PolarHBondContact N-O 3.26Å; S436-K452 PolarHBondContact O-N 3.26Å; P450-K452 HydrophobicContact CB-CD 4.35Å; P450-K452 HydrophobicContact CB-CG 4.02Å; P450-K452 HydrophobicContact CG-CD 3.87Å; P450-K452 VanDerWaalsContact CG-CE 3.42Å; P450-K452 HydrophobicContact CG-CG 4.01Å; K452-I460 VanDerWaalsContact CA-O 3.31Å; K452-I460 WeakPolarHBondContact CA-O 3.35Å; K452-A461 HydrophobicContact CG-CB 3.96Å
453F95.8Very high96.2Very high37 Ų3742.3 Ų42.316%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-159.5152170.553.7-87.8000110.6I432 S433 L435 L451 M455 I460I432-F453 HydrophobicContact CG2-CB 4.05Å; I432-F453 HydrophobicContact CG2-CD2 3.71Å; I432-F453 HydrophobicContact CG2-CG 4.16Å; S433-F453 CarbonylContact O-C 3.55Å; L435-F453 HydrophobicContact CB-CB 4.11Å; L435-F453 HydrophobicContact CG-CB 4.46Å; L451-F453 HydrophobicContact CD1-CD1 4.42Å; L451-F453 HydrophobicContact CG-CD1 4.35Å; L451-F453 HydrophobicContact CG-CE1 4.38Å; F453-M455 HydrophobicContact CD2-CB 4.25Å; F453-M455 HydrophobicContact CE2-CB 4.19Å; F453-M455 HydrophobicContact CE2-CE 3.65Å; F453-M455 HydrophobicContact CE2-SD 4.48Å; F453-M455 HydrophobicContact CZ-CE 4.46Å; F453-I460 HydrophobicContact CD2-CB 4.2Å; F453-I460 HydrophobicContact CE1-CB 4.11Å; F453-I460 HydrophobicContact CE1-CG2 3.93Å; F453-I460 HydrophobicContact CE2-CB 3.71Å; F453-I460 HydrophobicContact CE2-CD1 3.75Å; F453-I460 HydrophobicContact CE2-CG1 4.01Å; F453-I460 HydrophobicContact CE2-CG2 4.21Å; F453-I460 HydrophobicContact CZ-CB 3.66Å; F453-I460 HydrophobicContact CZ-CD1 3.92Å; F453-I460 HydrophobicContact CZ-CG1 4.26Å; F453-I460 HydrophobicContact CZ-CG2 3.63Å; F453-I460 PolarHBondContact N-O 3.11Å; F453-I460 PolarHBondContact O-N 3.34Å
454G94.2Very high96.3Very high13 Ų1339.9 Ų39.913%0.13422%0.224CC..EExtended strand (participates in β ladder)trans-73.7140.4167.500000110.7I432 S433 G458I432-G454 CarbonylContact C-O 3.57Å; I432-G454 VanDerWaalsContact CA-O 3.26Å; I432-G454 WeakPolarHBondContact CA-O 3.1Å; I432-G454 WeakPolarHBondContact CG2-O 3.39Å; S433-G454 PolarHBondContact N-O 3.25Å; S433-G454 PolarHBondContact O-N 2.77Å; G454-G458 WeakPolarHBondContact CA-O 3.27Å
455M91.6Very high96.4Very high31 Ų3141.4 Ų41.415%0.15323%0.23CC..EExtended strand (participates in β ladder)trans-147.9131.8174.9178.3179-82.100109.6P431 I432 F453 G457 G458 I460 L484 L489P431-M455 WeakPolarHBondContact O-CA 3.43Å; I432-M455 HydrophobicContact CD1-CE 4.28Å; I432-M455 HydrophobicContact CG1-CE 4.34Å; F453-M455 HydrophobicContact CD2-CB 4.25Å; F453-M455 HydrophobicContact CE2-CB 4.19Å; F453-M455 HydrophobicContact CE2-CE 3.65Å; F453-M455 HydrophobicContact CE2-SD 4.48Å; F453-M455 HydrophobicContact CZ-CE 4.46Å; M455-G457 PolarHBondContact O-N 2.73Å; M455-G458 PolarHBondContact N-O 2.85Å; M455-G458 VanDerWaalsContact N-O 3.07Å; M455-G458 CarbonylContact O-C 3.43Å; M455-G458 WeakPolarHBondContact O-CA 3.09Å; M455-G458 PolarHBondContact O-N 2.67Å; M455-I460 HydrophobicContact CB-CD1 4.23Å; M455-I460 HydrophobicContact CB-CG1 4.3Å; M455-I460 HydrophobicContact CE-CD1 4.14Å; M455-I460 HydrophobicContact CG-CD1 4.48Å; M455-I460 HydrophobicContact SD-CD1 3.48Å; M455-I460 WeakPolarHBondContact SD-CD1 3.11Å; M455-I460 HydrophobicContact SD-CG1 4.49Å; M455-L484 HydrophobicContact CB-CD2 4.25Å; M455-L484 VanDerWaalsContact O-CD2 3.26Å; M455-L484 WeakPolarHBondContact O-CD2 3.32Å; M455-L489 HydrophobicContact SD-CD2 4.46Å
456A89.3Confident96.4Very high1 Ų141.2 Ų41.21%0.00823%0.229CC..THydrogen-bonded Turntrans48.744.7175.200000113.3P431 G458 K485 E488 L489P431-A456 PolarHBondContact O-N 3.34Å; A456-G458 PolarHBondContact O-N 3.01Å; A456-G458 VanDerWaalsContact O-N 3.09Å; A456-K485 WeakPolarHBondContact O-CB 3.3Å; A456-K485 PolarHBondContact O-N 3.06Å; A456-E488 HydrophobicContact CB-CB 3.73Å; A456-L489 HydrophobicContact CB-CB 4.49Å; A456-L489 HydrophobicContact CB-CD2 3.64Å; A456-L489 HydrophobicContact CB-CG 3.69Å
457G89.8Confident96.4Very high50 Ų5041 Ų4152%0.51523%0.227SC..THydrogen-bonded Turntrans72.1-4.2-178.300000115.9M455 E488M455-G457 PolarHBondContact O-N 2.73Å; G457-E488 PolarHBondContact N-OE2 3.03Å
458G94.9Very high96.3Very high13 Ų1336.5 Ų36.513%0.13421%0.211CC..EExtended strand (participates in β ladder)trans-109-158.5174.400000112.5G454 M455 A456 R482 R483G454-G458 WeakPolarHBondContact CA-O 3.27Å; M455-G458 PolarHBondContact N-O 2.85Å; M455-G458 VanDerWaalsContact N-O 3.07Å; M455-G458 CarbonylContact O-C 3.43Å; M455-G458 WeakPolarHBondContact O-CA 3.09Å; M455-G458 PolarHBondContact O-N 2.67Å; A456-G458 PolarHBondContact O-N 3.01Å; A456-G458 VanDerWaalsContact O-N 3.09Å; G458-R482 WeakPolarHBondContact CA-O 3.29Å; G458-R483 WeakPolarHBondContact CA-O 3.4Å; G458-R483 PolarHBondContact N-O 3.29Å
459S96.8Very high96.2Very high53 Ų5338.1 Ų38.137%0.37122%0.22SC..EExtended strand (participates in β ladder)trans-136.1140.5-178.462.10000112.3R482S459-R482 PolarHBondContact N-O 2.92Å; S459-R482 PolarHBondContact O-N 3.23Å
460I97Very high96.2Very high22 Ų2237.6 Ų37.611%0.11322%0.216CC..EExtended strand (participates in β ladder)trans-112.8132.4167.1-60-170.4000108.9K452 F453 M455 I479 Q480 A481 L484K452-I460 VanDerWaalsContact CA-O 3.31Å; K452-I460 WeakPolarHBondContact CA-O 3.35Å; F453-I460 HydrophobicContact CD2-CB 4.2Å; F453-I460 HydrophobicContact CE1-CB 4.11Å; F453-I460 HydrophobicContact CE1-CG2 3.93Å; F453-I460 HydrophobicContact CE2-CB 3.71Å; F453-I460 HydrophobicContact CE2-CD1 3.75Å; F453-I460 HydrophobicContact CE2-CG1 4.01Å; F453-I460 HydrophobicContact CE2-CG2 4.21Å; F453-I460 HydrophobicContact CZ-CB 3.66Å; F453-I460 HydrophobicContact CZ-CD1 3.92Å; F453-I460 HydrophobicContact CZ-CG1 4.26Å; F453-I460 HydrophobicContact CZ-CG2 3.63Å; F453-I460 PolarHBondContact N-O 3.11Å; F453-I460 PolarHBondContact O-N 3.34Å; M455-I460 HydrophobicContact CB-CD1 4.23Å; M455-I460 HydrophobicContact CB-CG1 4.3Å; M455-I460 HydrophobicContact CE-CD1 4.14Å; M455-I460 HydrophobicContact CG-CD1 4.48Å; M455-I460 HydrophobicContact SD-CD1 3.48Å; M455-I460 WeakPolarHBondContact SD-CD1 3.11Å; M455-I460 HydrophobicContact SD-CG1 4.49Å; I460-I479 HydrophobicContact CG2-CG2 4Å; I460-Q480 CarbonylContact C-O 3.42Å; I460-Q480 VanDerWaalsContact CA-O 3.31Å; I460-Q480 WeakPolarHBondContact CA-O 3.37Å; I460-A481 HydrophobicContact CG1-CB 4.31Å; I460-L484 HydrophobicContact CG1-CD2 4.17Å
461A98.5Very high96Very high25 Ų2543.1 Ų43.121%0.20724%0.236CC..EExtended strand (participates in β ladder)trans-126.3131.7171.200000108.8L451 K452 I479 Q480L451-A461 CarbonylContact O-C 3.54Å; L451-A461 WeakPolarHBondContact O-CA 3.11Å; K452-A461 HydrophobicContact CG-CB 3.96Å; A461-I479 CarbonylContact O-C 3.49Å; A461-Q480 PolarHBondContact N-O 3.23Å; A461-Q480 PolarHBondContact O-N 2.91Å
462A98.4Very high96Very high5 Ų545.3 Ų45.34%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-135146.2179.700000111.5P450 L451 D478 I479P450-A462 CarbonylContact C-O 3.52Å; P450-A462 WeakPolarHBondContact CA-O 3.46Å; L451-A462 HydrophobicContact CB-CB 4.44Å; L451-A462 PolarHBondContact N-O 2.79Å; L451-A462 PolarHBondContact O-N 2.83Å; A462-D478 CarbonylContact C-O 3.51Å; A462-D478 WeakPolarHBondContact CA-O 3.35Å; A462-I479 HydrophobicContact CB-CB 4.47Å; A462-I479 HydrophobicContact CB-CG1 4.03Å; A462-I479 HydrophobicContact CB-CG2 4.45Å
463N98.7Very high95.9Very high65 Ų6540.5 Ų40.535%0.34823%0.231SC..EExtended strand (participates in β ladder)trans-114.4116.9165.5-59.3-65000107.7L448 A477 D478L448-N463 WeakPolarHBondContact O-CA 3.45Å; N463-A477 WeakPolarHBondContact O-CA 3.5Å; N463-D478 HydrophobicContact CB-CB 4.47Å; N463-D478 PolarHBondContact N-O 2.65Å; N463-D478 PolarHBondContact O-N 2.87Å
464I98.4Very high96Very high46 Ų4642.5 Ų42.524%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-111.5131.6-180-60.8168.6000108.1R447 L448 L451 L466 R476 A477R447-I464 CarbonylContact C-O 3.56Å; R447-I464 VanDerWaalsContact CA-O 3.26Å; R447-I464 WeakPolarHBondContact CA-O 3.28Å; L448-I464 HydrophobicContact CB-CB 4.15Å; L448-I464 HydrophobicContact CD1-CB 4.4Å; L448-I464 HydrophobicContact CD1-CD1 4.05Å; L448-I464 HydrophobicContact CG-CB 4.42Å; L448-I464 PolarHBondContact N-O 2.86Å; L448-I464 PolarHBondContact O-N 2.86Å; L448-I464 VanDerWaalsContact O-N 3.08Å; L451-I464 HydrophobicContact CD2-CD1 3.99Å; I464-L466 HydrophobicContact CG2-CD1 4.42Å; I464-L466 HydrophobicContact CG2-CD2 4.11Å; I464-L466 HydrophobicContact CG2-CG 3.99Å; I464-R476 WeakPolarHBondContact CA-O 3.44Å; I464-A477 HydrophobicContact CG1-CB 4.4Å
465H98.6Very high96.2Very high36 Ų3642.2 Ų42.217%0.16724%0.238CC..EExtended strand (participates in β ladder)trans-131.6119.1178.8176.2-154.5000109.2D445 E467 G475 R476D445-H465 VanDerWaalsContact CG-NE2 3.32Å; D445-H465 IonicContact OD1-CD2 3.6Å; D445-H465 IonicContact OD1-CE1 3.66Å; D445-H465 IonicContact OD1-NE2 2.9Å; D445-H465 PolarHBondContact OD1-NE2 2.87Å; D445-H465 IonicContact OD2-CD2 2.63Å; D445-H465 IonicContact OD2-NE2 2.66Å; D445-H465 PolarHBondContact OD2-NE2 2.8Å; H465-E467 IonicContact CE1-OE2 2.69Å; H465-E467 PolarHBondContact CE1-OE2 3.26Å; H465-E467 WeakPolarHBondContact NE2-CG 3.39Å; H465-E467 IonicContact NE2-OE2 3.3Å; H465-G475 CarbonylContact O-C 3.57Å; H465-G475 WeakPolarHBondContact O-CA 3.33Å; H465-R476 HydrophobicContact CB-CB 4.45Å; H465-R476 PolarHBondContact CE1-NH1 3.02Å; H465-R476 VanDerWaalsContact CE1-NH1 3.34Å; H465-R476 PolarHBondContact N-O 3.43Å; H465-R476 PolarHBondContact ND1-NH1 2.86Å; H465-R476 PolarHBondContact O-N 3.03Å
466L98Very high96.6Very high22 Ų2244.5 Ų44.512%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-122.2119.9-178-56.7179.1000109.6W410 L446 I464 G468 M473 Q474 L519W410-L466 HydrophobicContact CH2-CB 4.21Å; W410-L466 HydrophobicContact CH2-CD1 4.05Å; W410-L466 HydrophobicContact CZ3-CB 3.94Å; L446-L466 HydrophobicContact CB-CB 4.32Å; L446-L466 HydrophobicContact CD2-CD1 4.28Å; L446-L466 PolarHBondContact N-O 3.14Å; L446-L466 PolarHBondContact O-N 2.95Å; I464-L466 HydrophobicContact CG2-CD1 4.42Å; I464-L466 HydrophobicContact CG2-CD2 4.11Å; I464-L466 HydrophobicContact CG2-CG 3.99Å; L466-G468 PolarHBondContact O-N 2.85Å; L466-M473 HydrophobicContact CB-CE 4.46Å; L466-M473 HydrophobicContact CB-SD 3.83Å; L466-M473 HydrophobicContact CD1-CE 4.32Å; L466-M473 HydrophobicContact CD1-SD 4.4Å; L466-M473 HydrophobicContact CD2-CE 4.06Å; L466-M473 HydrophobicContact CG-SD 4.47Å; L466-Q474 CarbonylContact C-O 3.57Å; L466-Q474 WeakPolarHBondContact CA-O 3.41Å; L466-L519 HydrophobicContact CD2-CD1 4.08Å
467E97.9Very high97Very high29 Ų2945.4 Ų45.414%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-9785.5-176.5-62.9175.6-40.100109.4H465 D469 K470 M473 Q474 R476H465-E467 IonicContact CE1-OE2 2.69Å; H465-E467 PolarHBondContact CE1-OE2 3.26Å; H465-E467 WeakPolarHBondContact NE2-CG 3.39Å; H465-E467 IonicContact NE2-OE2 3.3Å; E467-D469 VanDerWaalsContact C-N 3.26Å; E467-D469 PolarHBondContact O-N 3.42Å; E467-K470 HydrophobicContact CB-CG 4.05Å; E467-K470 PolarHBondContact O-N 3.4Å; E467-M473 WeakPolarHBondContact O-CG 3.46Å; E467-Q474 HydrophobicContact CB-CB 4.28Å; E467-Q474 PolarHBondContact N-O 3.19Å; E467-Q474 WeakPolarHBondContact OE1-CB 3.01Å; E467-Q474 PolarHBondContact OE1-OE1 3.36Å; E467-R476 VanDerWaalsContact CD-NH1 3.26Å; E467-R476 IonicContact OE1-CZ 3.25Å; E467-R476 IonicContact OE1-NH1 4Å; E467-R476 PolarHBondContact OE1-NH1 2.83Å; E467-R476 IonicContact OE1-NH2 3.23Å; E467-R476 PolarHBondContact OE1-NH2 2.84Å; E467-R476 IonicContact OE2-CZ 3.38Å; E467-R476 IonicContact OE2-NH1 3.61Å; E467-R476 PolarHBondContact OE2-NH1 3.24Å; E467-R476 IonicContact OE2-NH2 2.71Å; E467-R476 PolarHBondContact OE2-NH2 2.87Å
468G96.2Very high97.4Very high3 Ų345.9 Ų45.93%0.03124%0.243CC..THydrogen-bonded Turntrans-72.7-14.1-176.700000114.5A444 L466 K470A444-G468 VanDerWaalsContact O-CA 3.31Å; A444-G468 WeakPolarHBondContact O-CA 2.96Å; A444-G468 PolarHBondContact O-N 3.29Å; L466-G468 PolarHBondContact O-N 2.85Å; G468-K470 PolarHBondContact O-N 2.81Å
469D95.3Very high97.6Very high77 Ų7748 Ų4841%0.41225%0.25SS..THydrogen-bonded Turntrans-72.9-13.7171.972.7-51.3000112.6A444 E467A444-D469 HydrophobicContact CB-CB 4.27Å; E467-D469 VanDerWaalsContact C-N 3.26Å; E467-D469 PolarHBondContact O-N 3.42Å
470K96.5Very high97.7Very high87 Ų8749.2 Ų49.238%0.37825%0.25SS..SBendtrans-94.2144.6176.2-55.5-53.6-177.9-1350111.3E467 G468 P472 M473 Q474E467-K470 HydrophobicContact CB-CG 4.05Å; E467-K470 PolarHBondContact O-N 3.4Å; G468-K470 PolarHBondContact O-N 2.81Å; K470-P472 CarbonylContact C-O 3.55Å; K470-P472 VanDerWaalsContact C-O 3.29Å; K470-P472 CarbonylContact O-C 3.09Å; K470-M473 WeakPolarHBondContact O-CA 3.33Å; K470-M473 PolarHBondContact O-N 3.14Å; K470-M473 VanDerWaalsContact O-N 3.16Å; K470-Q474 HydrophobicContact CB-CG 4.24Å; K470-Q474 HydrophobicContact CG-CG 4.37Å
471K95.4Very high97.7Very high160 Ų16048.7 Ų48.770%0.69625%0.249SC*.SBendtrans-124.9112.5177.1-64-173.5178.4-168.40110.2D408D408-K471 WeakPolarHBondContact OD1-CE 3.24Å; D408-K471 IonicContact OD1-NZ 2.66Å; D408-K471 PolarHBondContact OD1-NZ 3.12Å
472P95.7Very high97.6Very high75 Ų7551.2 Ų51.249%0.48725%0.253SS..SBendcis-64.9162-8.331.5-36.2000112.1K470K470-P472 CarbonylContact C-O 3.55Å; K470-P472 VanDerWaalsContact C-O 3.29Å; K470-P472 CarbonylContact O-C 3.09Å
473M97.1Very high97.5Very high0 Ų058.2 Ų58.20%028%0.279CS..PPolyproline II helixtrans-56.9140.2177.2-177.2-177.669.600110.5F405 T407 W410 L466 E467 K470 S512 G513 N514 L519F405-M473 HydrophobicContact CD2-CE 3.72Å; F405-M473 HydrophobicContact CE2-CE 4.25Å; T407-M473 HydrophobicContact CG2-CB 4.18Å; T407-M473 HydrophobicContact CG2-CG 4.26Å; T407-M473 HydrophobicContact CG2-SD 3.69Å; W410-M473 HydrophobicContact CH2-SD 3.72Å; W410-M473 HydrophobicContact CZ3-SD 3.78Å; L466-M473 HydrophobicContact CB-CE 4.46Å; L466-M473 HydrophobicContact CB-SD 3.83Å; L466-M473 HydrophobicContact CD1-CE 4.32Å; L466-M473 HydrophobicContact CD1-SD 4.4Å; L466-M473 HydrophobicContact CD2-CE 4.06Å; L466-M473 HydrophobicContact CG-SD 4.47Å; E467-M473 WeakPolarHBondContact O-CG 3.46Å; K470-M473 WeakPolarHBondContact O-CA 3.33Å; K470-M473 PolarHBondContact O-N 3.14Å; K470-M473 VanDerWaalsContact O-N 3.16Å; M473-S512 CarbonylContact O-C 3.5Å; M473-S512 VanDerWaalsContact O-CA 3.26Å; M473-S512 WeakPolarHBondContact O-CA 3.33Å; M473-G513 VanDerWaalsContact CE-O 3.29Å; M473-G513 WeakPolarHBondContact CE-O 3.14Å; M473-G513 PolarHBondContact O-N 2.93Å; M473-N514 WeakPolarHBondContact CB-OD1 3.41Å; M473-N514 PolarHBondContact N-OD1 3.27Å; M473-L519 HydrophobicContact CE-CD1 3.76Å; M473-L519 HydrophobicContact CE-CD2 4.15Å; M473-L519 HydrophobicContact CE-CG 4.24Å
474Q98.3Very high97.2Very high80 Ų8055.8 Ų55.837%0.37427%0.266SS..EExtended strand (participates in β ladder)trans-99.2138.5170.5-62.2-173.233.200109.7L466 E467 K470L466-Q474 CarbonylContact C-O 3.57Å; L466-Q474 WeakPolarHBondContact CA-O 3.41Å; E467-Q474 HydrophobicContact CB-CB 4.28Å; E467-Q474 PolarHBondContact N-O 3.19Å; E467-Q474 WeakPolarHBondContact OE1-CB 3.01Å; E467-Q474 PolarHBondContact OE1-OE1 3.36Å; K470-Q474 HydrophobicContact CB-CG 4.24Å; K470-Q474 HydrophobicContact CG-CG 4.37Å
475G98.4Very high96.9Very high7 Ų757.7 Ų57.77%0.07227%0.272CS..EExtended strand (participates in β ladder)trans-129.1141.4179.600000112.2H465 R510 G511H465-G475 CarbonylContact O-C 3.57Å; H465-G475 WeakPolarHBondContact O-CA 3.33Å; G475-R510 CarbonylContact O-C 3.49Å; G475-R510 WeakPolarHBondContact O-CA 3.38Å; G475-G511 PolarHBondContact N-O 2.9Å; G475-G511 PolarHBondContact O-N 3.44Å
476R98.6Very high96.3Very high79 Ų7957 Ų5730%0.29827%0.27SS..EExtended strand (participates in β ladder)trans-128.9138.8172.8-52.6-173.2-172.786.113.6109.5I464 H465 E467 L509 R510I464-R476 WeakPolarHBondContact CA-O 3.44Å; H465-R476 HydrophobicContact CB-CB 4.45Å; H465-R476 PolarHBondContact CE1-NH1 3.02Å; H465-R476 VanDerWaalsContact CE1-NH1 3.34Å; H465-R476 PolarHBondContact N-O 3.43Å; H465-R476 PolarHBondContact ND1-NH1 2.86Å; H465-R476 PolarHBondContact O-N 3.03Å; E467-R476 VanDerWaalsContact CD-NH1 3.26Å; E467-R476 IonicContact OE1-CZ 3.25Å; E467-R476 IonicContact OE1-NH1 4Å; E467-R476 PolarHBondContact OE1-NH1 2.83Å; E467-R476 IonicContact OE1-NH2 3.23Å; E467-R476 PolarHBondContact OE1-NH2 2.84Å; E467-R476 IonicContact OE2-CZ 3.38Å; E467-R476 IonicContact OE2-NH1 3.61Å; E467-R476 PolarHBondContact OE2-NH1 3.24Å; E467-R476 IonicContact OE2-NH2 2.71Å; E467-R476 PolarHBondContact OE2-NH2 2.87Å; R476-L509 CarbonylContact C-O 3.5Å; R476-L509 VanDerWaalsContact CA-O 3.27Å; R476-L509 WeakPolarHBondContact CA-O 3.47Å; R476-R510 HydrophobicContact CB-CG 4.48Å; R476-R510 HydrophobicContact CG-CG 4.04Å
477A98.5Very high95.7Very high20 Ų2060.3 Ų60.317%0.16528%0.283CS..EExtended strand (participates in β ladder)trans-135.9122.3174.600000109.7N463 I464 I479 E508 L509N463-A477 WeakPolarHBondContact O-CA 3.5Å; I464-A477 HydrophobicContact CG1-CB 4.4Å; A477-I479 HydrophobicContact CB-CD1 4.33Å; A477-I479 HydrophobicContact CB-CG1 4.29Å; A477-E508 WeakPolarHBondContact O-CA 3.24Å; A477-L509 HydrophobicContact CB-CB 4.42Å; A477-L509 PolarHBondContact N-O 2.94Å; A477-L509 PolarHBondContact O-N 2.66Å
478D98.6Very high95.2Very high60 Ų6061.9 Ų61.932%0.32129%0.291SS..EExtended strand (participates in β ladder)trans-104122.5165.1176.9-98.8000107A462 N463 A507A462-D478 CarbonylContact C-O 3.51Å; A462-D478 WeakPolarHBondContact CA-O 3.35Å; N463-D478 HydrophobicContact CB-CB 4.47Å; N463-D478 PolarHBondContact N-O 2.65Å; N463-D478 PolarHBondContact O-N 2.87Å; D478-A507 CarbonylContact C-O 3.59Å; D478-A507 WeakPolarHBondContact CA-O 3.15Å
479I98.4Very high94.5Very high56 Ų5663.5 Ų63.529%0.28730%0.298SS..EExtended strand (participates in β ladder)trans-130.5129.3-173-52.2171.2000108.9I460 A461 A462 A477 D506 A507I460-I479 HydrophobicContact CG2-CG2 4Å; A461-I479 CarbonylContact O-C 3.49Å; A462-I479 HydrophobicContact CB-CB 4.47Å; A462-I479 HydrophobicContact CB-CG1 4.03Å; A462-I479 HydrophobicContact CB-CG2 4.45Å; A477-I479 HydrophobicContact CB-CD1 4.33Å; A477-I479 HydrophobicContact CB-CG1 4.29Å; I479-D506 CarbonylContact O-C 3.5Å; I479-D506 WeakPolarHBondContact O-CA 3.47Å; I479-A507 HydrophobicContact CB-CB 4.15Å; I479-A507 PolarHBondContact N-O 2.95Å; I479-A507 PolarHBondContact O-N 3.42Å
480Q98.4Very high93.7Very high79 Ų7964.1 Ų64.137%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-123.7117.9178.5-60.8-175.3-13.100109.2I460 A461 G505I460-Q480 CarbonylContact C-O 3.42Å; I460-Q480 VanDerWaalsContact CA-O 3.31Å; I460-Q480 WeakPolarHBondContact CA-O 3.37Å; A461-Q480 PolarHBondContact N-O 3.23Å; A461-Q480 PolarHBondContact O-N 2.91Å; Q480-G505 WeakPolarHBondContact CA-O 3.41Å
481A97.5Very high92.8Very high12 Ų1261.9 Ų61.910%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-104.7132.5170.800000109.5I460 L484 N504 G505I460-A481 HydrophobicContact CG1-CB 4.31Å; A481-L484 HydrophobicContact CB-CD1 3.78Å; A481-L484 HydrophobicContact CB-CG 4.2Å; A481-N504 CarbonylContact O-C 3.46Å; A481-N504 WeakPolarHBondContact O-CA 3.48Å; A481-G505 PolarHBondContact N-O 3.46Å; A481-G505 PolarHBondContact O-N 3.01Å
482R96.9Very high91.9Very high77 Ų7759.8 Ų59.829%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-134.7131.5-178.9-60.4-65-179.9-96.51.6110.8G458 S459 L484 N504 G505 D506G458-R482 WeakPolarHBondContact CA-O 3.29Å; S459-R482 PolarHBondContact N-O 2.92Å; S459-R482 PolarHBondContact O-N 3.23Å; R482-L484 VanDerWaalsContact C-N 3.28Å; R482-L484 PolarHBondContact O-N 2.91Å; R482-N504 WeakPolarHBondContact CA-OD1 3.36Å; R482-G505 PolarHBondContact NH1-O 3.32Å; R482-D506 IonicContact CZ-OD1 3.54Å; R482-D506 VanDerWaalsContact CZ-OD1 3.23Å; R482-D506 IonicContact CZ-OD2 3.91Å; R482-D506 IonicContact NH1-OD1 3.09Å; R482-D506 PolarHBondContact NH1-OD1 3.14Å; R482-D506 IonicContact NH1-OD2 3.23Å; R482-D506 IonicContact NH2-OD1 3.79Å; R482-D506 PolarHBondContact NH2-OD1 2.84Å; R482-D506 IonicContact NH2-OD2 2.81Å
483R95.3Very high90.9Very high153 Ų15358.9 Ų58.958%0.57728%0.284SS*.EExtended strand (participates in β ladder)trans52.739.7173.2-53.9-172.5-67.9-142-3114.3G458 K485 E502 M503 N504G458-R483 WeakPolarHBondContact CA-O 3.4Å; G458-R483 PolarHBondContact N-O 3.29Å; R483-K485 PolarHBondContact O-N 2.82Å; R483-E502 HydrophobicContact CB-CG 4.49Å; R483-E502 VanDerWaalsContact CG-OE2 3.29Å; R483-E502 WeakPolarHBondContact CG-OE2 3.2Å; R483-M503 PolarHBondContact N-O 2.75Å; R483-N504 PolarHBondContact N-OD1 2.9Å
484L93.8Very high89.6Confident13 Ų1367.2 Ų67.27%0.06832%0.323CS..EExtended strand (participates in β ladder)trans-70.7120174-53.1-177.6000108.6M455 I460 A481 R482 L486 L489 E502 M503M455-L484 HydrophobicContact CB-CD2 4.25Å; M455-L484 VanDerWaalsContact O-CD2 3.26Å; M455-L484 WeakPolarHBondContact O-CD2 3.32Å; I460-L484 HydrophobicContact CG1-CD2 4.17Å; A481-L484 HydrophobicContact CB-CD1 3.78Å; A481-L484 HydrophobicContact CB-CG 4.2Å; R482-L484 VanDerWaalsContact C-N 3.28Å; R482-L484 PolarHBondContact O-N 2.91Å; L484-L486 PolarHBondContact O-N 3.15Å; L484-L489 HydrophobicContact CB-CD1 3.93Å; L484-L489 HydrophobicContact CB-CD2 4.44Å; L484-L489 HydrophobicContact CB-CG 4.34Å; L484-L489 HydrophobicContact CD1-CD1 4.5Å; L484-L489 HydrophobicContact CD1-CD2 4.36Å; L484-E502 WeakPolarHBondContact O-CA 3.3Å; L484-M503 HydrophobicContact CB-CB 4.33Å; L484-M503 PolarHBondContact N-O 2.89Å; L484-M503 PolarHBondContact O-N 2.91Å
485K91.1Very high88.2Confident87 Ų8766.3 Ų66.338%0.37832%0.32SS..EExtended strand (participates in β ladder)trans-79.4124.1-177.9-62.5170.1-1741720110A456 R483 K487 E488 L489A456-K485 WeakPolarHBondContact O-CB 3.3Å; A456-K485 PolarHBondContact O-N 3.06Å; R483-K485 PolarHBondContact O-N 2.82Å; K485-K487 VanDerWaalsContact C-N 3.29Å; K485-K487 PolarHBondContact O-N 3.32Å; K485-E488 HydrophobicContact CB-CB 4.42Å; K485-E488 HydrophobicContact CB-CG 4.38Å; K485-E488 WeakPolarHBondContact CD-OE1 3.41Å; K485-E488 IonicContact NZ-OE1 2.84Å; K485-E488 PolarHBondContact NZ-OE1 2.8Å; K485-E488 VanDerWaalsContact NZ-OE1 3.09Å; K485-E488 PolarHBondContact O-N 3.26Å; K485-L489 PolarHBondContact O-N 3.44Å; K485-L489 VanDerWaalsContact O-N 3.15Å
486L87Confident86.8Confident22 Ų2266.8 Ų66.812%0.11532%0.32CS..Hα-helixtrans-60.1-38.1-174.7-170.649.5000112.9L484 E488 L489 T499 G501 M503 M531L484-L486 PolarHBondContact O-N 3.15Å; L486-E488 VanDerWaalsContact C-N 3.27Å; L486-E488 PolarHBondContact O-N 3.24Å; L486-L489 HydrophobicContact CD1-CD1 4.4Å; L486-L489 PolarHBondContact O-N 3.05Å; L486-T499 HydrophobicContact CB-CG2 4.27Å; L486-T499 HydrophobicContact CD2-CG2 3.32Å; L486-T499 HydrophobicContact CG-CG2 3.67Å; L486-G501 PolarHBondContact N-O 3.36Å; L486-M503 HydrophobicContact CD1-CE 4.26Å; L486-M531 HydrophobicContact CD2-SD 4.01Å
487K85.1Confident85.5Confident90 Ų9066.2 Ų66.239%0.39132%0.321SS..Hα-helixtrans-54.8-39.7173.3-177.4173.1179.8166.50113.6K485 Q497 T499K485-K487 VanDerWaalsContact C-N 3.29Å; K485-K487 PolarHBondContact O-N 3.32Å; K487-Q497 WeakPolarHBondContact CD-O 3.19Å; K487-Q497 VanDerWaalsContact CE-O 3.27Å; K487-Q497 WeakPolarHBondContact CE-O 3.38Å; K487-Q497 PolarHBondContact NZ-O 2.8Å; K487-T499 WeakPolarHBondContact CB-O 3.5Å
488E86.4Confident84.3Confident63 Ų6369.9 Ų69.929%0.29433%0.333SS..Hα-helixtrans-87.5-16.2-176.7-63.9-178-144.800112.6A456 G457 K485 L486A456-E488 HydrophobicContact CB-CB 3.73Å; G457-E488 PolarHBondContact N-OE2 3.03Å; K485-E488 HydrophobicContact CB-CB 4.42Å; K485-E488 HydrophobicContact CB-CG 4.38Å; K485-E488 WeakPolarHBondContact CD-OE1 3.41Å; K485-E488 IonicContact NZ-OE1 2.84Å; K485-E488 PolarHBondContact NZ-OE1 2.8Å; K485-E488 VanDerWaalsContact NZ-OE1 3.09Å; K485-E488 PolarHBondContact O-N 3.26Å; L486-E488 VanDerWaalsContact C-N 3.27Å; L486-E488 PolarHBondContact O-N 3.24Å
489L83.3Confident83.1Confident37 Ų3767 Ų6719%0.19432%0.318CS..Hα-helixtrans-75.1-24.6176.2-78.2173.1000113.6L430 M455 A456 L484 K485 L486 M503L430-L489 HydrophobicContact CD2-CD2 4.42Å; L430-L489 WeakPolarHBondContact CD2-O 3.34Å; M455-L489 HydrophobicContact SD-CD2 4.46Å; A456-L489 HydrophobicContact CB-CB 4.49Å; A456-L489 HydrophobicContact CB-CD2 3.64Å; A456-L489 HydrophobicContact CB-CG 3.69Å; L484-L489 HydrophobicContact CB-CD1 3.93Å; L484-L489 HydrophobicContact CB-CD2 4.44Å; L484-L489 HydrophobicContact CB-CG 4.34Å; L484-L489 HydrophobicContact CD1-CD1 4.5Å; L484-L489 HydrophobicContact CD1-CD2 4.36Å; K485-L489 PolarHBondContact O-N 3.44Å; K485-L489 VanDerWaalsContact O-N 3.15Å; L486-L489 HydrophobicContact CD1-CD1 4.4Å; L486-L489 PolarHBondContact O-N 3.05Å; L489-M503 HydrophobicContact CD1-CE 4.47Å; L489-M503 HydrophobicContact CD1-SD 4.4Å
490M77.9Confident82.4Confident89 Ų8968.2 Ų68.244%0.43833%0.325SS..SBendtrans-138.460.7-176.3-60.6-179.376.400111.3D492 V493 M496M490-D492 VanDerWaalsContact C-N 3.29Å; M490-D492 PolarHBondContact O-N 2.89Å; M490-V493 HydrophobicContact CB-CG2 4.38Å; M490-V493 HydrophobicContact CE-CG2 4.07Å; M490-V493 PolarHBondContact O-N 2.83Å; M490-M496 HydrophobicContact CB-CB 4.18Å; M490-M496 HydrophobicContact CB-CG 3.98Å; M490-M496 HydrophobicContact SD-CG 4.2Å; M490-M496 HydrophobicContact SD-SD 4.29Å
491P76.3Confident81.9Confident40 Ų4065.2 Ų65.226%0.2632%0.315SS..THydrogen-bonded Turntrans-67.5-27.8-170.327.9-35.2000113.6S429 V493 Q497S429-P491 WeakPolarHBondContact O-CD 3.22Å; S429-P491 WeakPolarHBondContact O-CG 3.41Å; P491-V493 PolarHBondContact O-N 3.09Å; P491-Q497 VanDerWaalsContact CA-NE2 3.32Å; P491-Q497 PolarHBondContact O-NE2 2.9Å
492D77.6Confident81.7Confident117 Ų11769 Ų6963%0.62633%0.331SS*.THydrogen-bonded Turntrans-78.8-5.1-178.5-60.1-42000113.3S429 M490S429-D492 WeakPolarHBondContact CB-OD2 3.45Å; M490-D492 VanDerWaalsContact C-N 3.29Å; M490-D492 PolarHBondContact O-N 2.89Å
493V74.1Confident81.5Confident56 Ų5667.9 Ų67.934%0.33933%0.329SS..  trans-97.3105.2177.1-176.60000108.8M490 P491 L495 M496 Q497M490-V493 HydrophobicContact CB-CG2 4.38Å; M490-V493 HydrophobicContact CE-CG2 4.07Å; M490-V493 PolarHBondContact O-N 2.83Å; P491-V493 PolarHBondContact O-N 3.09Å; V493-L495 HydrophobicContact CG1-CB 4.17Å; V493-L495 PolarHBondContact O-N 2.77Å; V493-L495 VanDerWaalsContact O-N 3.16Å; V493-M496 HydrophobicContact CB-CB 4Å; V493-M496 HydrophobicContact CB-CG 3.73Å; V493-M496 HydrophobicContact CG1-CB 4.23Å; V493-M496 HydrophobicContact CG1-CG 3.66Å; V493-M496 WeakPolarHBondContact O-CA 3.3Å; V493-M496 WeakPolarHBondContact O-CB 3.11Å; V493-M496 PolarHBondContact O-N 2.92Å; V493-Q497 PolarHBondContact O-N 2.9Å
494E70.6Confident81.5Confident175 Ų17562.2 Ų62.282%0.81831%0.311SS*.G310 helixtrans-52.7-39.9-178.9-171.4176.9-174.700112.5M496 Q497E494-M496 PolarHBondContact O-N 2.77Å; E494-Q497 WeakPolarHBondContact O-CB 3.37Å; E494-Q497 PolarHBondContact O-N 2.93Å; E494-Q497 VanDerWaalsContact O-N 3.15Å
495L67.6Low81.6Confident60 Ų6061.9 Ų61.931%0.31431%0.31SS..G310 helixtrans-63.5-24175.9-72.7153000113.7V493 T499 N539 L540 I543V493-L495 HydrophobicContact CG1-CB 4.17Å; V493-L495 PolarHBondContact O-N 2.77Å; V493-L495 VanDerWaalsContact O-N 3.16Å; L495-T499 PolarHBondContact O-OG1 2.82Å; L495-N539 HydrophobicContact CD2-CB 3.94Å; L495-L540 HydrophobicContact CD1-CD1 4.41Å; L495-L540 HydrophobicContact CD2-CB 4.45Å; L495-I543 HydrophobicContact CD1-CD1 4.4Å
496M69.6Low81.9Confident17 Ų1760.7 Ų60.78%0.08431%0.308CS..G310 helixtrans-86.3-12.9177.6-67.2-68.797.800113.2M490 V493 E494 K498 T499 L540M490-M496 HydrophobicContact CB-CB 4.18Å; M490-M496 HydrophobicContact CB-CG 3.98Å; M490-M496 HydrophobicContact SD-CG 4.2Å; M490-M496 HydrophobicContact SD-SD 4.29Å; V493-M496 HydrophobicContact CB-CB 4Å; V493-M496 HydrophobicContact CB-CG 3.73Å; V493-M496 HydrophobicContact CG1-CB 4.23Å; V493-M496 HydrophobicContact CG1-CG 3.66Å; V493-M496 WeakPolarHBondContact O-CA 3.3Å; V493-M496 WeakPolarHBondContact O-CB 3.11Å; V493-M496 PolarHBondContact O-N 2.92Å; E494-M496 PolarHBondContact O-N 2.77Å; M496-K498 PolarHBondContact O-N 2.82Å; M496-T499 WeakPolarHBondContact CE-OG1 3.38Å; M496-T499 WeakPolarHBondContact O-CB 3.43Å; M496-T499 PolarHBondContact O-N 2.82Å; M496-T499 HydrophobicContact SD-CG2 4.31Å; M496-L540 HydrophobicContact CE-CD1 4.36Å; M496-L540 HydrophobicContact CE-CD2 3.17Å; M496-L540 HydrophobicContact CE-CG 4.3Å
497Q72.1Confident82.5Confident67 Ų6760.2 Ų60.231%0.31331%0.307SS..THydrogen-bonded Turntrans-67-23.9-179.1-71.2-62.7-28.600113.8K487 P491 V493 E494K487-Q497 WeakPolarHBondContact CD-O 3.19Å; K487-Q497 VanDerWaalsContact CE-O 3.27Å; K487-Q497 WeakPolarHBondContact CE-O 3.38Å; K487-Q497 PolarHBondContact NZ-O 2.8Å; P491-Q497 VanDerWaalsContact CA-NE2 3.32Å; P491-Q497 PolarHBondContact O-NE2 2.9Å; V493-Q497 PolarHBondContact O-N 2.9Å; E494-Q497 WeakPolarHBondContact O-CB 3.37Å; E494-Q497 PolarHBondContact O-N 2.93Å; E494-Q497 VanDerWaalsContact O-N 3.15Å
498K73.2Confident83.1Confident97 Ų9759.3 Ų59.342%0.42230%0.304SS..THydrogen-bonded Turntrans-94.8-2.7173.5-63.4-179.3-176.9-179.80112.9M496 L500 D559M496-K498 PolarHBondContact O-N 2.82Å; K498-L500 PolarHBondContact O-N 2.82Å; K498-D559 WeakPolarHBondContact CD-OD2 3.49Å; K498-D559 WeakPolarHBondContact CE-OD2 3.45Å; K498-D559 VanDerWaalsContact NZ-CB 3.34Å; K498-D559 IonicContact NZ-OD2 2.82Å; K498-D559 PolarHBondContact NZ-OD2 3.05Å
499T73.9Confident83.7Confident0 Ų057.5 Ų57.50%030%0.297CS..  trans-83.9118.8-178.8-61.60000110L486 K487 L495 M496 L535 V536L486-T499 HydrophobicContact CB-CG2 4.27Å; L486-T499 HydrophobicContact CD2-CG2 3.32Å; L486-T499 HydrophobicContact CG-CG2 3.67Å; K487-T499 WeakPolarHBondContact CB-O 3.5Å; L495-T499 PolarHBondContact O-OG1 2.82Å; M496-T499 WeakPolarHBondContact CE-OG1 3.38Å; M496-T499 WeakPolarHBondContact O-CB 3.43Å; M496-T499 PolarHBondContact O-N 2.82Å; M496-T499 HydrophobicContact SD-CG2 4.31Å; T499-L535 CarbonylContact C-O 3.55Å; T499-L535 WeakPolarHBondContact CA-O 3.45Å; T499-L535 VanDerWaalsContact CG2-O 3.28Å; T499-L535 WeakPolarHBondContact CG2-O 3.37Å; T499-V536 HydrophobicContact CG2-CG2 3.87Å
500L81.8Confident84.4Confident82 Ų8262.3 Ų62.343%0.42931%0.312SS..EExtended strand (participates in β ladder)trans-109.6145.6176.6-61.1176.3000109.8K498 G534 L535K498-L500 PolarHBondContact O-N 2.82Å; L500-G534 CarbonylContact O-C 3.56Å; L500-G534 WeakPolarHBondContact O-CA 3.14Å; L500-L535 HydrophobicContact CB-CB 4.19Å; L500-L535 HydrophobicContact CB-CD1 4.35Å; L500-L535 HydrophobicContact CD1-CD1 3.85Å; L500-L535 PolarHBondContact N-O 2.79Å; L500-L535 PolarHBondContact O-N 3.32Å
501G88.6Confident85.4Confident16 Ų1658.8 Ų58.817%0.16530%0.298CS..EExtended strand (participates in β ladder)trans155150.4179.700000112.1L486 D533L486-G501 PolarHBondContact N-O 3.36Å; G501-D533 WeakPolarHBondContact CA-O 3.48Å
502E92.9Very high86.4Confident92 Ų9259 Ų5943%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-108.5118.1177.1-71.3-171.7176.200110.6R483 L484 M531R483-E502 HydrophobicContact CB-CG 4.49Å; R483-E502 VanDerWaalsContact CG-OE2 3.29Å; R483-E502 WeakPolarHBondContact CG-OE2 3.2Å; L484-E502 WeakPolarHBondContact O-CA 3.3Å; E502-M531 WeakPolarHBondContact O-CA 3.42Å; E502-M531 WeakPolarHBondContact O-CG 3.26Å
503M92.5Very high87.3Confident52 Ų5253.7 Ų53.726%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-92.7130174.7-171.3-179.8-61.900110.4R483 L484 L486 L489 L529R483-M503 PolarHBondContact N-O 2.75Å; L484-M503 HydrophobicContact CB-CB 4.33Å; L484-M503 PolarHBondContact N-O 2.89Å; L484-M503 PolarHBondContact O-N 2.91Å; L486-M503 HydrophobicContact CD1-CE 4.26Å; L489-M503 HydrophobicContact CD1-CE 4.47Å; L489-M503 HydrophobicContact CD1-SD 4.4Å; M503-L529 HydrophobicContact SD-CD2 4.47Å
504N96Very high88.2Confident35 Ų3551.8 Ų51.819%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-115.7153.8171.6-58.4-79.2000108.3A481 R482 R483 L529 L530A481-N504 CarbonylContact O-C 3.46Å; A481-N504 WeakPolarHBondContact O-CA 3.48Å; R482-N504 WeakPolarHBondContact CA-OD1 3.36Å; R483-N504 PolarHBondContact N-OD1 2.9Å; N504-L529 CarbonylContact O-C 3.47Å; N504-L529 WeakPolarHBondContact O-CA 3.47Å; N504-L530 PolarHBondContact N-O 2.7Å; N504-L530 PolarHBondContact O-N 3.02Å
505G96.3Very high89.3Confident5 Ų543.8 Ų43.85%0.05223%0.225CC..EExtended strand (participates in β ladder)trans-160.4153.1177.700000113.8Q480 A481 R482 K528Q480-G505 WeakPolarHBondContact CA-O 3.41Å; A481-G505 PolarHBondContact N-O 3.46Å; A481-G505 PolarHBondContact O-N 3.01Å; R482-G505 PolarHBondContact NH1-O 3.32Å; G505-K528 CarbonylContact C-O 3.57Å; G505-K528 WeakPolarHBondContact CA-O 3.41Å
506D97.9Very high90.6Very high62 Ų6242.6 Ų42.633%0.33222%0.22SC..EExtended strand (participates in β ladder)trans-134.5129.4175.8-64.5-66.7000108.1I479 R482 K528I479-D506 CarbonylContact O-C 3.5Å; I479-D506 WeakPolarHBondContact O-CA 3.47Å; R482-D506 IonicContact CZ-OD1 3.54Å; R482-D506 VanDerWaalsContact CZ-OD1 3.23Å; R482-D506 IonicContact CZ-OD2 3.91Å; R482-D506 IonicContact NH1-OD1 3.09Å; R482-D506 PolarHBondContact NH1-OD1 3.14Å; R482-D506 IonicContact NH1-OD2 3.23Å; R482-D506 IonicContact NH2-OD1 3.79Å; R482-D506 PolarHBondContact NH2-OD1 2.84Å; R482-D506 IonicContact NH2-OD2 2.81Å; D506-K528 PolarHBondContact N-O 3.04Å; D506-K528 PolarHBondContact O-N 3.44Å
507A98.1Very high91.8Very high13 Ų1342.1 Ų42.111%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-129.2131.1175.500000110D478 I479 N526 L527D478-A507 CarbonylContact C-O 3.59Å; D478-A507 WeakPolarHBondContact CA-O 3.15Å; I479-A507 HydrophobicContact CB-CB 4.15Å; I479-A507 PolarHBondContact N-O 2.95Å; I479-A507 PolarHBondContact O-N 3.42Å; A507-N526 VanDerWaalsContact CA-O 3.3Å; A507-N526 WeakPolarHBondContact CA-O 3.34Å; A507-L527 HydrophobicContact CB-CD1 3.83Å
508E98.3Very high93Very high71 Ų7140.2 Ų40.233%0.33222%0.215SC..EExtended strand (participates in β ladder)trans-118.1123.2166.4-173.8179.4-179.900107.5A477 R510 G525 N526A477-E508 WeakPolarHBondContact O-CA 3.24Å; E508-R510 IonicContact OE1-CZ 2.65Å; E508-R510 VanDerWaalsContact OE1-CZ 3.25Å; E508-R510 IonicContact OE1-NE 3.67Å; E508-R510 PolarHBondContact OE1-NE 3.31Å; E508-R510 IonicContact OE1-NH2 2.67Å; E508-R510 PolarHBondContact OE1-NH2 2.88Å; E508-G525 CarbonylContact O-C 3.4Å; E508-G525 WeakPolarHBondContact O-CA 3.25Å; E508-N526 PolarHBondContact N-O 2.57Å; E508-N526 PolarHBondContact O-N 3.37Å
509L98.4Very high94.2Very high25 Ų2536.8 Ų36.813%0.13120%0.201CC..EExtended strand (participates in β ladder)trans-130.3137.1-176.9-59.3172.9000109.8R476 A477 L520 I573R476-L509 CarbonylContact C-O 3.5Å; R476-L509 VanDerWaalsContact CA-O 3.27Å; R476-L509 WeakPolarHBondContact CA-O 3.47Å; A477-L509 HydrophobicContact CB-CB 4.42Å; A477-L509 PolarHBondContact N-O 2.94Å; A477-L509 PolarHBondContact O-N 2.66Å; L509-L520 HydrophobicContact CD1-CD2 3.96Å; L509-I573 HydrophobicContact CD2-CD1 3.37Å
510R98.6Very high95.3Very high138 Ų13838.7 Ų38.752%0.52121%0.211SC..EExtended strand (participates in β ladder)trans-134.6122.5172.1-56.4-176.7-173.7149.4-1.4109.1G475 R476 E508 S523 N524G475-R510 CarbonylContact O-C 3.49Å; G475-R510 WeakPolarHBondContact O-CA 3.38Å; R476-R510 HydrophobicContact CB-CG 4.48Å; R476-R510 HydrophobicContact CG-CG 4.04Å; E508-R510 IonicContact OE1-CZ 2.65Å; E508-R510 VanDerWaalsContact OE1-CZ 3.25Å; E508-R510 IonicContact OE1-NE 3.67Å; E508-R510 PolarHBondContact OE1-NE 3.31Å; E508-R510 IonicContact OE1-NH2 2.67Å; E508-R510 PolarHBondContact OE1-NH2 2.88Å; R510-S523 CarbonylContact O-C 3.49Å; R510-S523 VanDerWaalsContact O-CA 3.26Å; R510-S523 WeakPolarHBondContact O-CA 3.09Å; R510-N524 PolarHBondContact N-O 3.3Å; R510-N524 PolarHBondContact O-N 3.21Å
511G98.3Very high96Very high14 Ų1435 Ų3514%0.14419%0.193CC..EExtended strand (participates in β ladder)trans-143.5173.6-176.200000112.9G475G475-G511 PolarHBondContact N-O 2.9Å; G475-G511 PolarHBondContact O-N 3.44Å
512S98.1Very high96.5Very high45 Ų4538.1 Ų38.132%0.31521%0.206SC..EExtended strand (participates in β ladder)trans-134.4139.5176.762.60000111.8M473 A518 N522M473-S512 CarbonylContact O-C 3.5Å; M473-S512 VanDerWaalsContact O-CA 3.26Å; M473-S512 WeakPolarHBondContact O-CA 3.33Å; S512-A518 CarbonylContact O-C 3.58Å; S512-A518 VanDerWaalsContact O-O 3.13Å; S512-N522 WeakPolarHBondContact O-CB 3.18Å; S512-N522 PolarHBondContact O-ND2 3.25Å
513G96.4Very high96.7Very high6 Ų633.9 Ų33.96%0.06219%0.186CC..SBendtrans144.4158.8-176.100000112.2M473 L519M473-G513 VanDerWaalsContact CE-O 3.29Å; M473-G513 WeakPolarHBondContact CE-O 3.14Å; M473-G513 PolarHBondContact O-N 2.93Å; G513-L519 WeakPolarHBondContact O-CD2 3.26Å; G513-L519 WeakPolarHBondContact O-CG 3.33Å
514N92.9Very high97Very high16 Ų1634.7 Ų34.79%0.08619%0.192CC..SBendtrans-98.618.9-176.6-65.318.8000112.5R404 F405 M473R404-N514 CarbonylContact C-O 3.51Å; R404-N514 WeakPolarHBondContact CA-O 3.45Å; R404-N514 PolarHBondContact NH2-ND2 3.01Å; F405-N514 VanDerWaalsContact CD2-O 3.31Å; F405-N514 WeakPolarHBondContact CD2-O 3.42Å; F405-N514 PolarHBondContact N-O 2.86Å; M473-N514 WeakPolarHBondContact CB-OD1 3.41Å; M473-N514 PolarHBondContact N-OD1 3.27Å
515S93.8Very high97.1Very high6 Ų634 Ų344%0.04219%0.193CC..SBendtrans-146.2162.9175.467.70000110.1D403 A517 A518 L519D403-S515 WeakPolarHBondContact O-CB 3.32Å; S515-A517 VanDerWaalsContact C-N 3.31Å; S515-A517 PolarHBondContact O-N 2.74Å; S515-A518 PolarHBondContact O-N 2.77Å; S515-A518 WeakPolarHBondContact OG-CB 3.26Å; S515-A518 PolarHBondContact OG-N 2.83Å; S515-A518 VanDerWaalsContact OG-N 3.12Å; S515-L519 WeakPolarHBondContact O-CB 3.3Å; S515-L519 WeakPolarHBondContact O-CG 3.42Å; S515-L519 PolarHBondContact O-N 2.77Å
516V95.1Very high97.1Very high36 Ų3636.2 Ų36.222%0.21820%0.203CC..Hα-helixtrans-59-44.7176.9179.10000110.9P401 F405 A518 L519 L520P401-V516 HydrophobicContact CB-CB 4.07Å; P401-V516 HydrophobicContact CB-CG2 4.27Å; P401-V516 HydrophobicContact CG-CB 4.14Å; P401-V516 HydrophobicContact CG-CG2 4.32Å; F405-V516 HydrophobicContact CE2-CG2 4.43Å; F405-V516 HydrophobicContact CZ-CG2 4Å; V516-A518 PolarHBondContact O-N 2.92Å; V516-L519 PolarHBondContact O-N 2.84Å; V516-L520 HydrophobicContact CG1-CD1 3.86Å; V516-L520 HydrophobicContact CG1-CG 4.47Å; V516-L520 WeakPolarHBondContact O-CB 3.37Å; V516-L520 WeakPolarHBondContact O-CG 3.22Å; V516-L520 PolarHBondContact O-N 2.8Å
517A95.7Very high97.1Very high6 Ų635.4 Ų35.45%0.0520%0.199CC..Hα-helixtrans-60.9-41.2176.200000112.4L400 P401 Y402 S515 G521L400-A517 HydrophobicContact CB-CB 3.76Å; P401-A517 WeakPolarHBondContact O-CB 3.42Å; P401-A517 PolarHBondContact O-N 2.66Å; Y402-A517 HydrophobicContact CD1-CB 4.3Å; Y402-A517 HydrophobicContact CD2-CB 3.69Å; Y402-A517 HydrophobicContact CE1-CB 4.23Å; Y402-A517 HydrophobicContact CE2-CB 3.63Å; Y402-A517 HydrophobicContact CG-CB 4.04Å; S515-A517 VanDerWaalsContact C-N 3.31Å; S515-A517 PolarHBondContact O-N 2.74Å; A517-G521 WeakPolarHBondContact O-CA 3.48Å; A517-G521 PolarHBondContact O-N 2.87Å
518A96.2Very high97Very high28 Ų2837.4 Ų37.423%0.23121%0.205CC..Hα-helixtrans-71.7-4217900000112.2S512 S515 V516 G521 N522S512-A518 CarbonylContact O-C 3.58Å; S512-A518 VanDerWaalsContact O-O 3.13Å; S515-A518 PolarHBondContact O-N 2.77Å; S515-A518 WeakPolarHBondContact OG-CB 3.26Å; S515-A518 PolarHBondContact OG-N 2.83Å; S515-A518 VanDerWaalsContact OG-N 3.12Å; V516-A518 PolarHBondContact O-N 2.92Å; A518-G521 PolarHBondContact O-N 2.85Å; A518-N522 WeakPolarHBondContact O-CB 3.37Å; A518-N522 PolarHBondContact O-N 2.86Å; A518-N522 PolarHBondContact O-ND2 2.86Å; A518-N522 VanDerWaalsContact O-ND2 3.14Å
519L97.7Very high96.9Very high24 Ų2436.7 Ų36.713%0.12620%0.203CC..Hα-helixtrans-59.3-49.9176.4-75.4170.5000111.3F405 L466 M473 G513 S515 V516 S523F405-L519 HydrophobicContact CE2-CD1 4.42Å; L466-L519 HydrophobicContact CD2-CD1 4.08Å; M473-L519 HydrophobicContact CE-CD1 3.76Å; M473-L519 HydrophobicContact CE-CD2 4.15Å; M473-L519 HydrophobicContact CE-CG 4.24Å; G513-L519 WeakPolarHBondContact O-CD2 3.26Å; G513-L519 WeakPolarHBondContact O-CG 3.33Å; S515-L519 WeakPolarHBondContact O-CB 3.3Å; S515-L519 WeakPolarHBondContact O-CG 3.42Å; S515-L519 PolarHBondContact O-N 2.77Å; V516-L519 PolarHBondContact O-N 2.84Å; L519-S523 VanDerWaalsContact O-CB 3.31Å; L519-S523 WeakPolarHBondContact O-CB 3.26Å; L519-S523 PolarHBondContact O-N 2.89Å; L519-S523 VanDerWaalsContact O-N 3.17Å
520L97.5Very high96.7Very high40 Ų4037.4 Ų37.421%0.20921%0.207CC..Hα-helixtrans-71.5-40.4178.5-68.3174.2000111.8L400 L509 V516 N522 S523 G576 F600L400-L520 HydrophobicContact CD1-CB 4.21Å; L400-L520 HydrophobicContact CD1-CD1 4.08Å; L400-L520 HydrophobicContact CD2-CD1 3.83Å; L509-L520 HydrophobicContact CD1-CD2 3.96Å; V516-L520 HydrophobicContact CG1-CD1 3.86Å; V516-L520 HydrophobicContact CG1-CG 4.47Å; V516-L520 WeakPolarHBondContact O-CB 3.37Å; V516-L520 WeakPolarHBondContact O-CG 3.22Å; V516-L520 PolarHBondContact O-N 2.8Å; L520-N522 PolarHBondContact O-N 3.42Å; L520-S523 WeakPolarHBondContact O-CB 3.49Å; L520-S523 PolarHBondContact O-N 2.76Å; L520-S523 VanDerWaalsContact O-N 3.09Å; L520-S523 PolarHBondContact O-OG 2.95Å; L520-G576 WeakPolarHBondContact O-CA 3.46Å; L520-F600 HydrophobicContact CB-CB 3.97Å; L520-F600 HydrophobicContact CB-CG 4.23Å; L520-F600 WeakPolarHBondContact O-CB 3.5Å
521G97.4Very high96.4Very high5 Ų531.1 Ų31.15%0.05218%0.184CC..Hα-helixtrans-63.5-26178.600000114A517 A518 N575 G576 A601A517-G521 WeakPolarHBondContact O-CA 3.48Å; A517-G521 PolarHBondContact O-N 2.87Å; A518-G521 PolarHBondContact O-N 2.85Å; G521-N575 CarbonylContact O-C 3.59Å; G521-G576 VanDerWaalsContact O-CA 3.31Å; G521-G576 WeakPolarHBondContact O-CA 3.49Å; G521-G576 PolarHBondContact O-N 2.85Å; G521-A601 WeakPolarHBondContact O-CB 3.32Å
522N98Very high95.8Very high82 Ų8234.3 Ų34.344%0.43920%0.197SC..THydrogen-bonded Turntrans-108.916.7174.5-58.6-42.7000112.6S512 A518 L520S512-N522 WeakPolarHBondContact O-CB 3.18Å; S512-N522 PolarHBondContact O-ND2 3.25Å; A518-N522 WeakPolarHBondContact O-CB 3.37Å; A518-N522 PolarHBondContact O-N 2.86Å; A518-N522 PolarHBondContact O-ND2 2.86Å; A518-N522 VanDerWaalsContact O-ND2 3.14Å; L520-N522 PolarHBondContact O-N 3.42Å
523S97.8Very high95.2Very high2 Ų236.2 Ų36.21%0.01420%0.204CC..  trans-78.8152.4-173.664.50000113.6R510 L519 L520 N575 G576R510-S523 CarbonylContact O-C 3.49Å; R510-S523 VanDerWaalsContact O-CA 3.26Å; R510-S523 WeakPolarHBondContact O-CA 3.09Å; L519-S523 VanDerWaalsContact O-CB 3.31Å; L519-S523 WeakPolarHBondContact O-CB 3.26Å; L519-S523 PolarHBondContact O-N 2.89Å; L519-S523 VanDerWaalsContact O-N 3.17Å; L520-S523 WeakPolarHBondContact O-CB 3.49Å; L520-S523 PolarHBondContact O-N 2.76Å; L520-S523 VanDerWaalsContact O-N 3.09Å; L520-S523 PolarHBondContact O-OG 2.95Å; S523-N575 PolarHBondContact O-N 2.81Å; S523-N575 VanDerWaalsContact O-N 3.1Å; S523-G576 PolarHBondContact O-N 2.84Å
524N98.6Very high94.6Very high70 Ų7036.4 Ų36.437%0.37421%0.205SC..EExtended strand (participates in β ladder)trans-126.7152166.3-60.5-75.3000108.9R510 I573 A574 N575R510-N524 PolarHBondContact N-O 3.3Å; R510-N524 PolarHBondContact O-N 3.21Å; N524-I573 CarbonylContact C-O 3.14Å; N524-I573 VanDerWaalsContact CA-O 3.25Å; N524-I573 WeakPolarHBondContact CA-O 3.34Å; N524-A574 WeakPolarHBondContact OD1-CA 3.4Å; N524-N575 PolarHBondContact OD1-N 2.71Å
525G97.8Very high94.1Very high21 Ų2137.9 Ų37.922%0.21621%0.213CC..EExtended strand (participates in β ladder)trans148.7-154.2177.100000113.2E508 I573E508-G525 CarbonylContact O-C 3.4Å; E508-G525 WeakPolarHBondContact O-CA 3.25Å; G525-I573 PolarHBondContact N-O 3.31Å; G525-I573 PolarHBondContact O-N 2.89Å
526N97.1Very high93.3Very high50 Ų5038.6 Ų38.627%0.26722%0.217SC..EExtended strand (participates in β ladder)trans-141.5146.4-176.360.1-80.8000111.4A507 E508 L571A507-N526 VanDerWaalsContact CA-O 3.3Å; A507-N526 WeakPolarHBondContact CA-O 3.34Å; E508-N526 PolarHBondContact N-O 2.57Å; E508-N526 PolarHBondContact O-N 3.37Å; N526-L571 CarbonylContact C-O 3.56Å; N526-L571 VanDerWaalsContact CA-O 3.3Å; N526-L571 WeakPolarHBondContact CA-O 3.32Å
527L97Very high91.9Very high45 Ų4536.9 Ų36.924%0.23621%0.207CC..EExtended strand (participates in β ladder)trans-125.9118.1172169.460.2000108.8A507 L529 L571 I573A507-L527 HydrophobicContact CB-CD1 3.83Å; L527-L529 HydrophobicContact CD1-CD2 3.97Å; L527-L529 HydrophobicContact CD1-CG 4.15Å; L527-L529 HydrophobicContact CG-CG 4.32Å; L527-L571 HydrophobicContact CB-CB 4.31Å; L527-L571 HydrophobicContact CD2-CD1 4.06Å; L527-L571 HydrophobicContact CG-CD1 4.49Å; L527-L571 PolarHBondContact N-O 3.36Å; L527-L571 PolarHBondContact O-N 3.08Å; L527-I573 HydrophobicContact CB-CD1 4.18Å
528K96.7Very high90.5Very high56 Ų5640.9 Ų40.924%0.24322%0.221CC..EExtended strand (participates in β ladder)trans-108.7131174.2-62.9-173.7-179.6-167.40108.8G505 D506 A569 M684G505-K528 CarbonylContact C-O 3.57Å; G505-K528 WeakPolarHBondContact CA-O 3.41Å; D506-K528 PolarHBondContact N-O 3.04Å; D506-K528 PolarHBondContact O-N 3.44Å; K528-A569 CarbonylContact C-O 3.49Å; K528-A569 VanDerWaalsContact CA-O 3.26Å; K528-A569 WeakPolarHBondContact CA-O 3.31Å; K528-M684 HydrophobicContact CB-CE 4.2Å; K528-M684 PolarHBondContact NZ-O 3.15Å
529L95.6Very high89Confident56 Ų5640.7 Ų40.729%0.29322%0.216SC..EExtended strand (participates in β ladder)trans-127.5139.9172.6-59.9173.5000108.5M503 N504 L527 A568 A569M503-L529 HydrophobicContact SD-CD2 4.47Å; N504-L529 CarbonylContact O-C 3.47Å; N504-L529 WeakPolarHBondContact O-CA 3.47Å; L527-L529 HydrophobicContact CD1-CD2 3.97Å; L527-L529 HydrophobicContact CD1-CG 4.15Å; L527-L529 HydrophobicContact CG-CG 4.32Å; L529-A568 CarbonylContact O-C 3.55Å; L529-A568 WeakPolarHBondContact O-CA 3.45Å; L529-A569 HydrophobicContact CB-CB 4.14Å; L529-A569 PolarHBondContact N-O 3.4Å; L529-A569 PolarHBondContact O-N 2.87Å
530L94.8Very high87.4Confident39 Ų3941.8 Ų41.820%0.20422%0.221CC..EExtended strand (participates in β ladder)trans-146.7134-177.8178.162.4000112.1N504 A567 A568 L681 M684N504-L530 PolarHBondContact N-O 2.7Å; N504-L530 PolarHBondContact O-N 3.02Å; L530-A567 CarbonylContact C-O 3.59Å; L530-A567 WeakPolarHBondContact CA-O 3.35Å; L530-A568 HydrophobicContact CD1-CB 4.33Å; L530-L681 HydrophobicContact CD1-CD2 3.4Å; L530-L681 HydrophobicContact CD2-CD2 3.74Å; L530-L681 HydrophobicContact CG-CD2 4.22Å; L530-M684 HydrophobicContact CB-CE 4.48Å; L530-M684 HydrophobicContact CD1-SD 4.36Å
531M92.5Very high85.6Confident7 Ų740.7 Ų40.73%0.03422%0.215CC..EExtended strand (participates in β ladder)trans-130123.6168.2-177.2175.577.200108L486 E502 V564 C566 A567L486-M531 HydrophobicContact CD2-SD 4.01Å; E502-M531 WeakPolarHBondContact O-CA 3.42Å; E502-M531 WeakPolarHBondContact O-CG 3.26Å; M531-V564 HydrophobicContact CE-CB 4.18Å; M531-V564 HydrophobicContact CE-CG1 3.67Å; M531-C566 CarbonylContact O-C 3.44Å; M531-C566 WeakPolarHBondContact O-CA 3.43Å; M531-C566 WeakPolarHBondContact O-CB 3.46Å; M531-A567 HydrophobicContact CB-CB 4.2Å; M531-A567 HydrophobicContact CE-CB 3.87Å; M531-A567 PolarHBondContact N-O 3.34Å; M531-A567 PolarHBondContact O-N 2.85Å
532N86.1Confident84Confident80 Ų8041.1 Ų41.143%0.42822%0.216SC..EExtended strand (participates in β ladder)trans-88.7-29.1-174.4-73.9-23.1000113.9N565N532-N565 CarbonylContact O-C 3.52Å
533D84Confident82.2Confident86 Ų8641.2 Ų41.246%0.4622%0.216SC..EExtended strand (participates in β ladder)trans-152148.9177.7-71.7-82.3000108.1G501 R563G501-D533 WeakPolarHBondContact CA-O 3.48Å; D533-R563 IonicContact OD1-NH2 3.03Å; D533-R563 PolarHBondContact OD1-NH2 2.81Å; D533-R563 VanDerWaalsContact OD1-NH2 3.08Å
534G85.4Confident80.4Confident9 Ų942.5 Ų42.59%0.09322%0.223CC..EExtended strand (participates in β ladder)trans-166.1175.1173.800000113.6L500 V564L500-G534 CarbonylContact O-C 3.56Å; L500-G534 WeakPolarHBondContact O-CA 3.14Å; G534-V564 PolarHBondContact N-O 2.87Å; G534-V564 PolarHBondContact O-N 3.41Å
535L82.3Confident78.4Confident48 Ų4839.6 Ų39.625%0.25121%0.21SC..EExtended strand (participates in β ladder)trans-126.2137.2172.3-68.2159.2000106.8T499 L500 E561 V562 R563T499-L535 CarbonylContact C-O 3.55Å; T499-L535 WeakPolarHBondContact CA-O 3.45Å; T499-L535 VanDerWaalsContact CG2-O 3.28Å; T499-L535 WeakPolarHBondContact CG2-O 3.37Å; L500-L535 HydrophobicContact CB-CB 4.19Å; L500-L535 HydrophobicContact CB-CD1 4.35Å; L500-L535 HydrophobicContact CD1-CD1 3.85Å; L500-L535 PolarHBondContact N-O 2.79Å; L500-L535 PolarHBondContact O-N 3.32Å; L535-E561 HydrophobicContact CB-CB 4.41Å; L535-E561 WeakPolarHBondContact CD1-OE2 3.41Å; L535-E561 HydrophobicContact CD2-CB 3.97Å; L535-V562 WeakPolarHBondContact CA-O 3.46Å; L535-R563 HydrophobicContact CD2-CB 4.47Å
536V76.2Confident76.3Confident20 Ų2040 Ų4012%0.12121%0.208CC..EExtended strand (participates in β ladder)trans-130.6142.1177.8168.90000107.8T499 R538 L540 V562 V564T499-V536 HydrophobicContact CG2-CG2 3.87Å; V536-R538 PolarHBondContact O-N 2.79Å; V536-L540 HydrophobicContact CG1-CB 4.06Å; V536-L540 HydrophobicContact CG1-CD2 3.5Å; V536-L540 HydrophobicContact CG1-CG 4.31Å; V536-V562 PolarHBondContact N-O 3.3Å; V536-V562 PolarHBondContact O-N 3.09Å; V536-V564 HydrophobicContact CB-CG2 4.04Å; V536-V564 HydrophobicContact CG2-CG2 3.38Å
537S66.6Low74.2Confident0 Ų038.3 Ų38.30%020%0.198CC..EExtended strand (participates in β ladder)trans-55.5134.7174.6163.60000111.2N539 L540 M541 D559S537-N539 PolarHBondContact O-N 3.24Å; S537-N539 WeakPolarHBondContact OG-CB 2.9Å; S537-N539 PolarHBondContact OG-N 2.97Å; S537-L540 WeakPolarHBondContact O-CB 3.35Å; S537-L540 PolarHBondContact O-N 3.17Å; S537-L540 VanDerWaalsContact O-N 3.13Å; S537-M541 PolarHBondContact O-N 2.82Å; S537-D559 PolarHBondContact OG-OD1 3.04Å; S537-D559 PolarHBondContact OG-OD2 3.27Å
538R66Low71.7Confident90 Ų9040.4 Ų40.434%0.3421%0.213SC..Hα-helixtrans-56.7-37.8173.6-178.1178.9-70.4167.56.4111.5V536 L540 M541 E542 D560 V562V536-R538 PolarHBondContact O-N 2.79Å; R538-L540 VanDerWaalsContact C-N 3.28Å; R538-L540 PolarHBondContact O-N 2.63Å; R538-M541 CarbonylContact O-C 3.55Å; R538-M541 WeakPolarHBondContact O-CB 3.45Å; R538-M541 PolarHBondContact O-N 2.94Å; R538-E542 WeakPolarHBondContact CD-OE1 3.48Å; R538-E542 HydrophobicContact CG-CG 4.02Å; R538-E542 WeakPolarHBondContact CG-OE1 3.13Å; R538-E542 WeakPolarHBondContact O-CB 3.43Å; R538-E542 WeakPolarHBondContact O-CG 3.15Å; R538-E542 PolarHBondContact O-N 2.77Å; R538-D560 WeakPolarHBondContact CB-O 3.3Å; R538-D560 VanDerWaalsContact CZ-CB 3.45Å; R538-D560 IonicContact CZ-OD2 3.93Å; R538-D560 PolarHBondContact N-O 3.14Å; R538-D560 IonicContact NH1-OD2 3.41Å; R538-D560 PolarHBondContact NH1-OD2 3.2Å; R538-D560 VanDerWaalsContact NH2-CB 3.33Å; R538-D560 IonicContact NH2-OD2 2.76Å; R538-D560 PolarHBondContact NH2-OD2 2.87Å; R538-V562 HydrophobicContact CB-CG2 3.82Å; R538-V562 HydrophobicContact CG-CG2 4.15Å
539N64.7Low69.6Low24 Ų2439.7 Ų39.713%0.12822%0.222CC..Hα-helixtrans-58.3-39.8178.2-69.4-19.2000112.2L495 S537 E542 I543 Y551L495-N539 HydrophobicContact CD2-CB 3.94Å; S537-N539 PolarHBondContact O-N 3.24Å; S537-N539 WeakPolarHBondContact OG-CB 2.9Å; S537-N539 PolarHBondContact OG-N 2.97Å; N539-E542 PolarHBondContact O-N 3.3Å; N539-I543 WeakPolarHBondContact O-CD1 3.43Å; N539-I543 VanDerWaalsContact O-CG1 3.26Å; N539-I543 WeakPolarHBondContact O-CG1 3.17Å; N539-I543 PolarHBondContact O-N 2.9Å; N539-Y551 HydrophobicContact CB-CD2 4.47Å; N539-Y551 HydrophobicContact CB-CE2 4.45Å
540L63.3Low67.4Low47 Ų4741.3 Ų41.325%0.24623%0.23CC..Hα-helixtrans-65-44.4174.6-174.575.9000111.4L495 M496 V536 S537 R538 E542 I543 V544L495-L540 HydrophobicContact CD1-CD1 4.41Å; L495-L540 HydrophobicContact CD2-CB 4.45Å; M496-L540 HydrophobicContact CE-CD1 4.36Å; M496-L540 HydrophobicContact CE-CD2 3.17Å; M496-L540 HydrophobicContact CE-CG 4.3Å; V536-L540 HydrophobicContact CG1-CB 4.06Å; V536-L540 HydrophobicContact CG1-CD2 3.5Å; V536-L540 HydrophobicContact CG1-CG 4.31Å; S537-L540 WeakPolarHBondContact O-CB 3.35Å; S537-L540 PolarHBondContact O-N 3.17Å; S537-L540 VanDerWaalsContact O-N 3.13Å; R538-L540 VanDerWaalsContact C-N 3.28Å; R538-L540 PolarHBondContact O-N 2.63Å; L540-E542 VanDerWaalsContact C-N 3.28Å; L540-E542 PolarHBondContact O-N 3.25Å; L540-I543 PolarHBondContact O-N 2.66Å; L540-V544 WeakPolarHBondContact O-CG2 3.35Å; L540-V544 PolarHBondContact O-N 3.36Å
541M60.5Low65.3Low17 Ų1744.8 Ų44.88%0.08424%0.242CC..Hα-helixtrans-64.4-34.5179.5-163.665-172.800112.2S537 R538 V544 G545 V562 T587 A590 I592S537-M541 PolarHBondContact O-N 2.82Å; R538-M541 CarbonylContact O-C 3.55Å; R538-M541 WeakPolarHBondContact O-CB 3.45Å; R538-M541 PolarHBondContact O-N 2.94Å; M541-V544 PolarHBondContact O-N 2.77Å; M541-G545 PolarHBondContact O-N 2.83Å; M541-V562 HydrophobicContact CB-CG2 4.36Å; M541-T587 HydrophobicContact CE-CG2 3.85Å; M541-T587 VanDerWaalsContact CE-OG1 3.28Å; M541-T587 WeakPolarHBondContact CE-OG1 3.33Å; M541-T587 HydrophobicContact SD-CG2 4.06Å; M541-A590 HydrophobicContact CE-CB 3.52Å; M541-I592 HydrophobicContact CE-CD1 3.45Å; M541-I592 VanDerWaalsContact CE-CD1 3.45Å; M541-I592 HydrophobicContact CE-CG1 3.97Å; M541-I592 HydrophobicContact SD-CD1 3.75Å
542E62.2Low63.3Low15 Ų1549.2 Ų49.27%0.0726%0.264CS..Hα-helixtrans-74-32.3177.4-73.1-175.9173.400113R538 N539 L540 G545 L546 N547 N550 Y551R538-E542 WeakPolarHBondContact CD-OE1 3.48Å; R538-E542 HydrophobicContact CG-CG 4.02Å; R538-E542 WeakPolarHBondContact CG-OE1 3.13Å; R538-E542 WeakPolarHBondContact O-CB 3.43Å; R538-E542 WeakPolarHBondContact O-CG 3.15Å; R538-E542 PolarHBondContact O-N 2.77Å; N539-E542 PolarHBondContact O-N 3.3Å; L540-E542 VanDerWaalsContact C-N 3.28Å; L540-E542 PolarHBondContact O-N 3.25Å; E542-G545 PolarHBondContact O-N 2.87Å; E542-L546 PolarHBondContact O-N 2.82Å; E542-N547 PolarHBondContact O-N 2.88Å; E542-N550 WeakPolarHBondContact OE1-CB 3.5Å; E542-N550 WeakPolarHBondContact OE2-CB 3.26Å; E542-Y551 VanDerWaalsContact OE2-CA 3.27Å; E542-Y551 WeakPolarHBondContact OE2-CA 3.34Å; E542-Y551 PolarHBondContact OE2-N 2.9Å
543I61.2Low61.6Low84 Ų8449.1 Ų49.143%0.43127%0.266SS..Hα-helixtrans-62.1-47168.1-69.3163.9000109.9L495 N539 L540 G545 L546L495-I543 HydrophobicContact CD1-CD1 4.4Å; N539-I543 WeakPolarHBondContact O-CD1 3.43Å; N539-I543 VanDerWaalsContact O-CG1 3.26Å; N539-I543 WeakPolarHBondContact O-CG1 3.17Å; N539-I543 PolarHBondContact O-N 2.9Å; L540-I543 PolarHBondContact O-N 2.66Å; I543-G545 VanDerWaalsContact C-N 3.32Å; I543-G545 PolarHBondContact O-N 2.96Å; I543-L546 PolarHBondContact O-N 2.74Å
544V59.2Low60.1Low28 Ų2845.7 Ų45.717%0.1725%0.252CS..Hα-helixtrans-63-40.1178.2175.50000111.5L540 M541 L546 I592 I609 P611 L625L540-V544 WeakPolarHBondContact O-CG2 3.35Å; L540-V544 PolarHBondContact O-N 3.36Å; M541-V544 PolarHBondContact O-N 2.77Å; V544-L546 VanDerWaalsContact C-N 3.29Å; V544-L546 PolarHBondContact O-N 2.76Å; V544-I592 HydrophobicContact CG1-CD1 3.95Å; V544-I592 HydrophobicContact CG1-CG1 4.36Å; V544-I609 HydrophobicContact CG1-CG2 4.36Å; V544-P611 HydrophobicContact CG1-CB 4.26Å; V544-L625 HydrophobicContact CB-CD1 4.48Å; V544-L625 HydrophobicContact CG1-CD1 4.26Å
545G58.3Low58.6Low10 Ų1048.6 Ų48.610%0.10328%0.275CS..THydrogen-bonded Turntrans-78.3-3.5177.800000115.6M541 E542 I543 N547M541-G545 PolarHBondContact O-N 2.83Å; E542-G545 PolarHBondContact O-N 2.87Å; I543-G545 VanDerWaalsContact C-N 3.32Å; I543-G545 PolarHBondContact O-N 2.96Å; G545-N547 PolarHBondContact O-N 2.75Å; G545-N547 PolarHBondContact O-OD1 2.81Å
546L52.7Low57Low30 Ų3051.9 Ų51.916%0.15729%0.292CS..THydrogen-bonded Turntrans51.439.8-174.1-62168.8000113.7E542 I543 V544 V548 L621 L625 V638E542-L546 PolarHBondContact O-N 2.82Å; I543-L546 PolarHBondContact O-N 2.74Å; V544-L546 VanDerWaalsContact C-N 3.29Å; V544-L546 PolarHBondContact O-N 2.76Å; L546-V548 PolarHBondContact O-N 3.3Å; L546-L621 HydrophobicContact CB-CB 3.97Å; L546-L621 HydrophobicContact CD1-CB 4.43Å; L546-L621 WeakPolarHBondContact O-CD1 3.08Å; L546-L625 HydrophobicContact CD1-CD2 3.87Å; L546-L625 HydrophobicContact CD2-CD2 4.04Å; L546-L625 HydrophobicContact CG-CD2 3.99Å; L546-V638 HydrophobicContact CD1-CB 4.38Å; L546-V638 HydrophobicContact CD1-CG1 3.51Å; L546-V638 HydrophobicContact CD1-CG2 3.92Å; L546-V638 HydrophobicContact CD2-CG2 3.58Å; L546-V638 HydrophobicContact CG-CG2 4.38Å
547N52.2Low55.8Low13 Ų1359 Ų597%0.0732%0.321CS..  trans-94.772.6-179.9-85.37000111.2E542 G545 G549 N550 Y551 R617 I619 T620E542-N547 PolarHBondContact O-N 2.88Å; G545-N547 PolarHBondContact O-N 2.75Å; G545-N547 PolarHBondContact O-OD1 2.81Å; N547-G549 PolarHBondContact O-N 3.43Å; N547-N550 PolarHBondContact O-N 2.88Å; N547-Y551 PolarHBondContact O-N 2.89Å; N547-R617 PolarHBondContact ND2-NH1 2.96Å; N547-I619 PolarHBondContact OD1-O 3.01Å; N547-T620 WeakPolarHBondContact OD1-CB 3.38Å; N547-T620 PolarHBondContact OD1-OG1 3.31Å
548V45.8Very low55Low89 Ų8961.1 Ų61.154%0.53934%0.343SS..Hα-helixtrans-58-32.4-176.8-170.80000112.8L546 I552L546-V548 PolarHBondContact O-N 3.3Å; V548-I552 HydrophobicContact CG1-CD1 4.42Å; V548-I552 PolarHBondContact O-N 3.22Å
549G51.4Low54.4Low42 Ų4259 Ų5943%0.43334%0.338SS..Hα-helixtrans-65.1-39.8-178.900000114N547 V553N547-G549 PolarHBondContact O-N 3.43Å; G549-V553 WeakPolarHBondContact O-CG2 3.38Å
550N49.9Very low54.4Low89 Ų8961.8 Ų61.848%0.47635%0.353SS..Hα-helixtrans-81.9-30.1179.6-73.23.3000112.4E542 N547 I552 V553 G554E542-N550 WeakPolarHBondContact OE1-CB 3.5Å; E542-N550 WeakPolarHBondContact OE2-CB 3.26Å; N547-N550 PolarHBondContact O-N 2.88Å; N550-I552 VanDerWaalsContact C-N 3.28Å; N550-I552 PolarHBondContact O-N 2.91Å; N550-V553 CarbonylContact O-C 3.57Å; N550-V553 WeakPolarHBondContact O-CA 3.38Å; N550-V553 PolarHBondContact O-N 3.42Å; N550-G554 PolarHBondContact O-N 3.03Å
551Y51.2Low54.9Low112 Ų11264.6 Ų64.644%0.43937%0.365SS..Hα-helixtrans-58.4-42.2176.7173.7-101000111.6N539 E542 N547 V553 G554 A555N539-Y551 HydrophobicContact CB-CD2 4.47Å; N539-Y551 HydrophobicContact CB-CE2 4.45Å; E542-Y551 VanDerWaalsContact OE2-CA 3.27Å; E542-Y551 WeakPolarHBondContact OE2-CA 3.34Å; E542-Y551 PolarHBondContact OE2-N 2.9Å; N547-Y551 PolarHBondContact O-N 2.89Å; Y551-V553 VanDerWaalsContact C-N 3.29Å; Y551-V553 PolarHBondContact O-N 3.02Å; Y551-G554 PolarHBondContact O-N 3.37Å; Y551-A555 WeakPolarHBondContact O-CB 3.18Å; Y551-A555 PolarHBondContact O-N 2.79Å
552I50.8Low55.7Low100 Ų10063.9 Ų63.951%0.51336%0.362SS..Hα-helixtrans-63.8-36.1176.3-63.9171.8000111.1V548 N550 I556V548-I552 HydrophobicContact CG1-CD1 4.42Å; V548-I552 PolarHBondContact O-N 3.22Å; N550-I552 VanDerWaalsContact C-N 3.28Å; N550-I552 PolarHBondContact O-N 2.91Å; I552-I556 HydrophobicContact CG2-CD1 4.48Å; I552-I556 VanDerWaalsContact O-CD1 3.31Å; I552-I556 WeakPolarHBondContact O-CD1 3.33Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.45Å
553V50Low56.7Low78 Ų7869.4 Ų69.447%0.47338%0.382SS..Hα-helixtrans-74.7-43.7177.8178.40000111.1G549 N550 Y551 A555 I556 F557G549-V553 WeakPolarHBondContact O-CG2 3.38Å; N550-V553 CarbonylContact O-C 3.57Å; N550-V553 WeakPolarHBondContact O-CA 3.38Å; N550-V553 PolarHBondContact O-N 3.42Å; Y551-V553 VanDerWaalsContact C-N 3.29Å; Y551-V553 PolarHBondContact O-N 3.02Å; V553-A555 PolarHBondContact O-N 2.97Å; V553-I556 PolarHBondContact O-N 3.44Å; V553-I556 VanDerWaalsContact O-N 3.13Å; V553-F557 HydrophobicContact CG1-CD2 3.92Å; V553-F557 HydrophobicContact CG1-CE2 4.43Å; V553-F557 WeakPolarHBondContact O-CD2 3.4Å; V553-F557 PolarHBondContact O-N 2.76Å; V553-F557 VanDerWaalsContact O-N 3.09Å
554G51.2Low58Low15 Ų1565.6 Ų65.616%0.15536%0.362CS..Hα-helixtrans-64.4-36.7177.500000113.3N550 Y551 I556 F557 G558N550-G554 PolarHBondContact O-N 3.03Å; Y551-G554 PolarHBondContact O-N 3.37Å; G554-I556 PolarHBondContact O-N 2.88Å; G554-F557 PolarHBondContact O-N 2.89Å; G554-G558 CarbonylContact O-C 3.48Å; G554-G558 PolarHBondContact O-N 2.77Å; G554-G558 VanDerWaalsContact O-N 3.08Å
555A54.2Low59.5Low69 Ų6965.5 Ų65.557%0.5736%0.361SS*.Hα-helixtrans-61.2-24.8173.300000113.4Y551 V553Y551-A555 WeakPolarHBondContact O-CB 3.18Å; Y551-A555 PolarHBondContact O-N 2.79Å; V553-A555 PolarHBondContact O-N 2.97Å
556I49.1Very low61.1Low118 Ų11865.1 Ų65.161%0.60536%0.357SS*.Hα-helixtrans-92.5-37.2-179.1-63.7168.6000111.8I552 V553 G554I552-I556 HydrophobicContact CG2-CD1 4.48Å; I552-I556 VanDerWaalsContact O-CD1 3.31Å; I552-I556 WeakPolarHBondContact O-CD1 3.33Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.45Å; V553-I556 PolarHBondContact O-N 3.44Å; V553-I556 VanDerWaalsContact O-N 3.13Å; G554-I556 PolarHBondContact O-N 2.88Å
557F50.3Low63Low170 Ų17064.2 Ų64.275%0.74635%0.353SS*.Hα-helixtrans-109.9-2.8-167.9-68.8-76.1000115.9V553 G554V553-F557 HydrophobicContact CG1-CD2 3.92Å; V553-F557 HydrophobicContact CG1-CE2 4.43Å; V553-F557 WeakPolarHBondContact O-CD2 3.4Å; V553-F557 PolarHBondContact O-N 2.76Å; V553-F557 VanDerWaalsContact O-N 3.09Å; G554-F557 PolarHBondContact O-N 2.89Å
558G50.9Low65Low44 Ų4463.7 Ų63.745%0.45435%0.351SS..  trans113.8152.3176.100000113.5G554G554-G558 CarbonylContact O-C 3.48Å; G554-G558 PolarHBondContact O-N 2.77Å; G554-G558 VanDerWaalsContact O-N 3.08Å
559D54.1Low67.3Low44 Ų4459.6 Ų59.624%0.23533%0.327CS..  trans-95100.2-171.3-176.819.7000110.2K498 S537K498-D559 WeakPolarHBondContact CD-OD2 3.49Å; K498-D559 WeakPolarHBondContact CE-OD2 3.45Å; K498-D559 VanDerWaalsContact NZ-CB 3.34Å; K498-D559 IonicContact NZ-OD2 2.82Å; K498-D559 PolarHBondContact NZ-OD2 3.05Å; S537-D559 PolarHBondContact OG-OD1 3.04Å; S537-D559 PolarHBondContact OG-OD2 3.27Å
560D64.2Low69.5Low83 Ų8357.9 Ų57.944%0.44431%0.307SS..PPolyproline II helixtrans-75.6146174.4-72.8-28.2000111.3R538R538-D560 WeakPolarHBondContact CB-O 3.3Å; R538-D560 VanDerWaalsContact CZ-CB 3.45Å; R538-D560 IonicContact CZ-OD2 3.93Å; R538-D560 PolarHBondContact N-O 3.14Å; R538-D560 IonicContact NH1-OD2 3.41Å; R538-D560 PolarHBondContact NH1-OD2 3.2Å; R538-D560 VanDerWaalsContact NH2-CB 3.33Å; R538-D560 IonicContact NH2-OD2 2.76Å; R538-D560 PolarHBondContact NH2-OD2 2.87Å
561E72.4Confident71.7Confident106 Ų10654.9 Ų54.950%0.49529%0.291SS..EExtended strand (participates in β ladder)trans-81.2135.4172.8-61.2175.9159.600110.6L535L535-E561 HydrophobicContact CB-CB 4.41Å; L535-E561 WeakPolarHBondContact CD1-OE2 3.41Å; L535-E561 HydrophobicContact CD2-CB 3.97Å
562V78.5Confident73.9Confident3 Ų352.9 Ų52.92%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-101125171.1177.20000108.7L535 V536 R538 M541 V564L535-V562 WeakPolarHBondContact CA-O 3.46Å; V536-V562 PolarHBondContact N-O 3.3Å; V536-V562 PolarHBondContact O-N 3.09Å; R538-V562 HydrophobicContact CB-CG2 3.82Å; R538-V562 HydrophobicContact CG-CG2 4.15Å; M541-V562 HydrophobicContact CB-CG2 4.36Å; V562-V564 PolarHBondContact O-N 3.12Å
563R83.7Confident76.2Confident131 Ų13148.3 Ų48.349%0.49427%0.265SS..EExtended strand (participates in β ladder)trans-70.4128.4175.6-171.7176.2176.4166.11.2111D533 L535 T587 E588D533-R563 IonicContact OD1-NH2 3.03Å; D533-R563 PolarHBondContact OD1-NH2 2.81Å; D533-R563 VanDerWaalsContact OD1-NH2 3.08Å; L535-R563 HydrophobicContact CD2-CB 4.47Å; R563-T587 WeakPolarHBondContact O-CA 3.48Å; R563-E588 PolarHBondContact O-N 3.17Å
564V87.4Confident78.5Confident3 Ų346 Ų462%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-94.2117.8166.9-174.30000107.5M531 G534 V536 V562 C566 D586 T587M531-V564 HydrophobicContact CE-CB 4.18Å; M531-V564 HydrophobicContact CE-CG1 3.67Å; G534-V564 PolarHBondContact N-O 2.87Å; G534-V564 PolarHBondContact O-N 3.41Å; V536-V564 HydrophobicContact CB-CG2 4.04Å; V536-V564 HydrophobicContact CG2-CG2 3.38Å; V562-V564 PolarHBondContact O-N 3.12Å; V564-C566 WeakPolarHBondContact CG1-O 3.19Å; V564-D586 CarbonylContact C-O 3.53Å; V564-D586 WeakPolarHBondContact CG1-O 3.34Å; V564-T587 HydrophobicContact CG2-CG2 4.15Å
565N90.2Very high80.7Confident27 Ų2751 Ų5114%0.14428%0.277CS..EExtended strand (participates in β ladder)trans-75.2-31.3176.9-63.2-46.9000112.1N532 D586 T587 C677N532-N565 CarbonylContact O-C 3.52Å; N565-D586 HydrophobicContact CB-CB 4.31Å; N565-D586 PolarHBondContact N-O 3.1Å; N565-D586 PolarHBondContact ND2-OD1 2.82Å; N565-T587 PolarHBondContact ND2-O 3.35Å; N565-C677 VanDerWaalsContact CB-SG 3.59Å; N565-C677 PolarHBondContact O-SG 3.43Å
566C92Very high82.7Confident2 Ų247.7 Ų47.71%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-174.6161.3167.859.10000110.5M531 V564 D586 C677M531-C566 CarbonylContact O-C 3.44Å; M531-C566 WeakPolarHBondContact O-CA 3.43Å; M531-C566 WeakPolarHBondContact O-CB 3.46Å; V564-C566 WeakPolarHBondContact CG1-O 3.19Å; C566-D586 PolarHBondContact N-O 2.84Å; C566-D586 PolarHBondContact O-N 3.4Å; C566-C677 HydrophobicContact CB-CB 3.83Å; C566-C677 WeakPolarHBondContact CB-SG 3.29Å; C566-C677 PolarHBondContact N-SG 3.32Å; C566-C677 VanDerWaalsContact N-SG 3.37Å; C566-C677 WeakPolarHBondContact SG-CA 3.48Å; C566-C677 WeakPolarHBondContact SG-CB 3.28Å; C566-C677 CovalentContact SG-SG 2.03Å; C566-C677 PolarHBondContact SG-SG 2.92Å
567A92.3Very high85.1Confident10 Ų1043.4 Ų43.48%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-133.3136.8162.900000109.6L530 M531 A584 F585L530-A567 CarbonylContact C-O 3.59Å; L530-A567 WeakPolarHBondContact CA-O 3.35Å; M531-A567 HydrophobicContact CB-CB 4.2Å; M531-A567 HydrophobicContact CE-CB 3.87Å; M531-A567 PolarHBondContact N-O 3.34Å; M531-A567 PolarHBondContact O-N 2.85Å; A567-A584 WeakPolarHBondContact CA-O 3.41Å; A567-F585 HydrophobicContact CB-CD1 3.36Å; A567-F585 HydrophobicContact CB-CE1 3.7Å; A567-F585 HydrophobicContact CB-CG 4.08Å
568A95Very high87.3Confident3 Ų335.5 Ų35.53%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-141.9135.6-174.200000110.7L529 L530 F583 A584 I680 M684L529-A568 CarbonylContact O-C 3.55Å; L529-A568 WeakPolarHBondContact O-CA 3.45Å; L530-A568 HydrophobicContact CD1-CB 4.33Å; A568-F583 CarbonylContact O-C 3.54Å; A568-F583 VanDerWaalsContact O-CA 3.28Å; A568-F583 WeakPolarHBondContact O-CA 3.37Å; A568-A584 PolarHBondContact N-O 3.48Å; A568-A584 PolarHBondContact O-N 2.95Å; A568-I680 HydrophobicContact CB-CG2 3.39Å; A568-M684 HydrophobicContact CB-CE 4.47Å; A568-M684 HydrophobicContact CB-SD 3.52Å; A568-M684 VanDerWaalsContact CB-SD 3.52Å
569A95.4Very high89.6Confident3 Ų339.3 Ų39.33%0.02520%0.196CC..EExtended strand (participates in β ladder)trans-130.7134.3167.500000109.9K528 L529 L571 I582 F583K528-A569 CarbonylContact C-O 3.49Å; K528-A569 VanDerWaalsContact CA-O 3.26Å; K528-A569 WeakPolarHBondContact CA-O 3.31Å; L529-A569 HydrophobicContact CB-CB 4.14Å; L529-A569 PolarHBondContact N-O 3.4Å; L529-A569 PolarHBondContact O-N 2.87Å; A569-L571 HydrophobicContact CB-CD2 4.34Å; A569-I582 CarbonylContact C-O 3.29Å; A569-I582 VanDerWaalsContact CA-O 3.3Å; A569-I582 WeakPolarHBondContact CA-O 3.48Å; A569-F583 HydrophobicContact CB-CB 4.37Å; A569-F583 HydrophobicContact CB-CD2 3.77Å; A569-F583 HydrophobicContact CB-CE2 4.19Å; A569-F583 HydrophobicContact CB-CG 4.02Å
570N96.2Very high91.5Very high6 Ų638.7 Ų38.73%0.03219%0.194CC..EExtended strand (participates in β ladder)trans-129.5102.6168.3-178.820.2000107.2Q581 I582N570-Q581 PolarHBondContact ND2-OE1 2.91Å; N570-Q581 VanDerWaalsContact ND2-OE1 3.11Å; N570-Q581 PolarHBondContact O-N 2.87Å; N570-I582 HydrophobicContact CB-CB 4.32Å; N570-I582 PolarHBondContact N-O 2.76Å; N570-I582 PolarHBondContact O-N 3.46Å
571L96.4Very high92.9Very high25 Ų2540.9 Ų40.913%0.13120%0.202CC..EExtended strand (participates in β ladder)trans-104.6124.3-176.4-46.4-175.5000109.2N526 L527 A569 A578 R579 P580 F583N526-L571 CarbonylContact C-O 3.56Å; N526-L571 VanDerWaalsContact CA-O 3.3Å; N526-L571 WeakPolarHBondContact CA-O 3.32Å; L527-L571 HydrophobicContact CB-CB 4.31Å; L527-L571 HydrophobicContact CD2-CD1 4.06Å; L527-L571 HydrophobicContact CG-CD1 4.49Å; L527-L571 PolarHBondContact N-O 3.36Å; L527-L571 PolarHBondContact O-N 3.08Å; A569-L571 HydrophobicContact CB-CD2 4.34Å; L571-A578 HydrophobicContact CD1-CB 4.43Å; L571-R579 CarbonylContact C-O 3.49Å; L571-R579 WeakPolarHBondContact CA-O 3.26Å; L571-P580 VanDerWaalsContact CD2-CA 3.45Å; L571-P580 HydrophobicContact CD2-CB 3.5Å; L571-P580 HydrophobicContact CD2-CG 4.47Å; L571-F583 HydrophobicContact CD2-CD1 4.48Å
572N97.7Very high93.9Very high70 Ų7036.8 Ų36.837%0.37418%0.183SC..EExtended strand (participates in β ladder)trans-87.8127.5167-17861.8000109.1A578 R579 Q581N572-A578 WeakPolarHBondContact O-CA 3.36Å; N572-R579 PolarHBondContact N-O 3.44Å; N572-R579 PolarHBondContact O-N 2.86Å; N572-Q581 HydrophobicContact CB-CG 4.42Å
573I98.1Very high94.7Very high4 Ų439.3 Ų39.32%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-107.5120.5-179.1-57.6164.6000107.3L509 N524 G525 L527 V577 A578 F600L509-I573 HydrophobicContact CD2-CD1 3.37Å; N524-I573 CarbonylContact C-O 3.14Å; N524-I573 VanDerWaalsContact CA-O 3.25Å; N524-I573 WeakPolarHBondContact CA-O 3.34Å; G525-I573 PolarHBondContact N-O 3.31Å; G525-I573 PolarHBondContact O-N 2.89Å; L527-I573 HydrophobicContact CB-CD1 4.18Å; I573-V577 WeakPolarHBondContact CA-O 3.3Å; I573-A578 HydrophobicContact CG1-CB 3.93Å; I573-F600 HydrophobicContact CD1-CE2 4.06Å; I573-F600 HydrophobicContact CG1-CE2 4.33Å; I573-F600 HydrophobicContact CG2-CD2 4.28Å; I573-F600 HydrophobicContact CG2-CE2 4.09Å
574A98.2Very high95.2Very high29 Ų2933.2 Ų33.224%0.2417%0.171CC..EExtended strand (participates in β ladder)trans-134.9124.5177.800000110.1N524 G576 V577N524-A574 WeakPolarHBondContact OD1-CA 3.4Å; A574-G576 PolarHBondContact O-N 2.78Å; A574-V577 PolarHBondContact N-O 2.88Å; A574-V577 PolarHBondContact O-N 3.25Å
575N97.3Very high95.3Very high120 Ų12036.5 Ų36.564%0.64219%0.186SC*.THydrogen-bonded Turntrans47.448-175.8-59.2-37.8000112.5G521 S523 N524 V577G521-N575 CarbonylContact O-C 3.59Å; S523-N575 PolarHBondContact O-N 2.81Å; S523-N575 VanDerWaalsContact O-N 3.1Å; N524-N575 PolarHBondContact OD1-N 2.71Å; N575-V577 PolarHBondContact O-N 2.82Å
576G97.5Very high95.3Very high0 Ų035.2 Ų35.20%018%0.179CC..THydrogen-bonded Turntrans69.49-178.600000115.4L520 G521 S523 A574 S599 F600L520-G576 WeakPolarHBondContact O-CA 3.46Å; G521-G576 VanDerWaalsContact O-CA 3.31Å; G521-G576 WeakPolarHBondContact O-CA 3.49Å; G521-G576 PolarHBondContact O-N 2.85Å; S523-G576 PolarHBondContact O-N 2.84Å; A574-G576 PolarHBondContact O-N 2.78Å; G576-S599 CarbonylContact O-C 3.54Å; G576-S599 WeakPolarHBondContact O-CA 3.44Å; G576-F600 WeakPolarHBondContact O-CD2 3.3Å; G576-F600 PolarHBondContact O-N 2.99Å
577V98.4Very high94.9Very high28 Ų2835.3 Ų35.317%0.1718%0.179CC..EExtended strand (participates in β ladder)trans-107.3113.3175.5-176.40000110I573 A574 N575 R579 T597I573-V577 WeakPolarHBondContact CA-O 3.3Å; A574-V577 PolarHBondContact N-O 2.88Å; A574-V577 PolarHBondContact O-N 3.25Å; N575-V577 PolarHBondContact O-N 2.82Å; V577-R579 HydrophobicContact CG1-CG 4.22Å; V577-T597 HydrophobicContact CG1-CG2 4.27Å
578A97.9Very high94.5Very high5 Ų540.7 Ų40.74%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-81125.4172.300000110.5L571 N572 I573 T597 A598 F600L571-A578 HydrophobicContact CD1-CB 4.43Å; N572-A578 WeakPolarHBondContact O-CA 3.36Å; I573-A578 HydrophobicContact CG1-CB 3.93Å; A578-T597 WeakPolarHBondContact O-CA 3.42Å; A578-A598 HydrophobicContact CB-CB 4.42Å; A578-A598 PolarHBondContact N-O 3.01Å; A578-A598 PolarHBondContact O-N 2.8Å; A578-F600 HydrophobicContact CB-CE2 4.27Å
579R97.7Very high93.7Very high123 Ų12343.4 Ų43.446%0.46422%0.217SC..EExtended strand (participates in β ladder)trans-123.7124.8174.9-58.7-162.517678.5-2.3110.2L571 N572 V577 Q581 T597L571-R579 CarbonylContact C-O 3.49Å; L571-R579 WeakPolarHBondContact CA-O 3.26Å; N572-R579 PolarHBondContact N-O 3.44Å; N572-R579 PolarHBondContact O-N 2.86Å; V577-R579 HydrophobicContact CG1-CG 4.22Å; R579-Q581 PolarHBondContact O-N 2.82Å; R579-T597 HydrophobicContact CG-CG2 3.89Å
580P95.5Very high93Very high31 Ų3143.5 Ų43.520%0.20122%0.217CC..EExtended strand (participates in β ladder)trans-68.3122.4174.728.4-30000110.2L571 F583 G596L571-P580 VanDerWaalsContact CD2-CA 3.45Å; L571-P580 HydrophobicContact CD2-CB 3.5Å; L571-P580 HydrophobicContact CD2-CG 4.47Å; P580-F583 HydrophobicContact CB-CB 3.65Å; P580-G596 WeakPolarHBondContact CD-O 3.3Å
581Q94Very high92.5Very high130 Ų13044.5 Ų44.561%0.60722%0.223SC*.EExtended strand (participates in β ladder)trans-78.3-36.2159.2-65.6179.9-39.300109.8N570 N572 R579N570-Q581 PolarHBondContact ND2-OE1 2.91Å; N570-Q581 VanDerWaalsContact ND2-OE1 3.11Å; N570-Q581 PolarHBondContact O-N 2.87Å; N572-Q581 HydrophobicContact CB-CG 4.42Å; R579-Q581 PolarHBondContact O-N 2.82Å
582I93.3Very high92.1Very high20 Ų2043.9 Ų43.910%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-139131.8172.4-58.8169.5000106A569 N570 I680 Q683 M684A569-I582 CarbonylContact C-O 3.29Å; A569-I582 VanDerWaalsContact CA-O 3.3Å; A569-I582 WeakPolarHBondContact CA-O 3.48Å; N570-I582 HydrophobicContact CB-CB 4.32Å; N570-I582 PolarHBondContact N-O 2.76Å; N570-I582 PolarHBondContact O-N 3.46Å; I582-I680 HydrophobicContact CG2-CG2 4.03Å; I582-Q683 HydrophobicContact CD1-CB 3.39Å; I582-M684 HydrophobicContact CD1-CG 4.05Å
583F95.1Very high91.8Very high55 Ų5542.8 Ų42.824%0.24121%0.213CC..EExtended strand (participates in β ladder)trans-151.6101.1162.8-172.4-180000107.1A568 A569 L571 P580 F585 V594A568-F583 CarbonylContact O-C 3.54Å; A568-F583 VanDerWaalsContact O-CA 3.28Å; A568-F583 WeakPolarHBondContact O-CA 3.37Å; A569-F583 HydrophobicContact CB-CB 4.37Å; A569-F583 HydrophobicContact CB-CD2 3.77Å; A569-F583 HydrophobicContact CB-CE2 4.19Å; A569-F583 HydrophobicContact CB-CG 4.02Å; L571-F583 HydrophobicContact CD2-CD1 4.48Å; P580-F583 HydrophobicContact CB-CB 3.65Å; F583-F585 HydrophobicContact CD2-CE2 4.01Å; F583-F585 HydrophobicContact CE2-CD2 4.44Å; F583-F585 AromaticContact CE2-CE2 3.38Å; F583-F585 HydrophobicContact CE2-CE2 3.38Å; F583-F585 AromaticContact CE2-CZ 3.65Å; F583-F585 HydrophobicContact CE2-CZ 3.65Å; F583-F585 HydrophobicContact CZ-CE2 4.13Å; F583-F585 HydrophobicContact CZ-CZ 4.31Å; F583-V594 HydrophobicContact CB-CB 4.03Å; F583-V594 HydrophobicContact CD1-CB 3.6Å; F583-V594 HydrophobicContact CD1-CG1 3.61Å; F583-V594 HydrophobicContact CD1-CG2 4.35Å; F583-V594 HydrophobicContact CD2-CB 4.27Å; F583-V594 HydrophobicContact CD2-CG2 4.38Å; F583-V594 HydrophobicContact CE1-CB 4.08Å; F583-V594 HydrophobicContact CE1-CG1 3.81Å; F583-V594 HydrophobicContact CE1-CG2 4.47Å; F583-V594 HydrophobicContact CG-CB 3.7Å; F583-V594 HydrophobicContact CG-CG1 4.25Å; F583-V594 HydrophobicContact CG-CG2 4.3Å; F583-V594 PolarHBondContact O-N 2.87Å
584A93Very high91.6Very high3 Ų343.1 Ų43.13%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-142149.4-171.700000112.5A567 A568 L591 I592 I680A567-A584 WeakPolarHBondContact CA-O 3.41Å; A568-A584 PolarHBondContact N-O 3.48Å; A568-A584 PolarHBondContact O-N 2.95Å; A584-L591 HydrophobicContact CB-CD1 4.32Å; A584-I592 CarbonylContact C-O 3.55Å; A584-I592 WeakPolarHBondContact CA-O 3.43Å; A584-I680 HydrophobicContact CB-CD1 4.13Å
585F89.9Confident91.4Very high73 Ų7345.4 Ų45.432%0.3223%0.227SC..EExtended strand (participates in β ladder)trans-120.6118.1169.7-58.4-104.4000108.2A567 F583 I592 V594A567-F585 HydrophobicContact CB-CD1 3.36Å; A567-F585 HydrophobicContact CB-CE1 3.7Å; A567-F585 HydrophobicContact CB-CG 4.08Å; F583-F585 HydrophobicContact CD2-CE2 4.01Å; F583-F585 HydrophobicContact CE2-CD2 4.44Å; F583-F585 AromaticContact CE2-CE2 3.38Å; F583-F585 HydrophobicContact CE2-CE2 3.38Å; F583-F585 AromaticContact CE2-CZ 3.65Å; F583-F585 HydrophobicContact CE2-CZ 3.65Å; F583-F585 HydrophobicContact CZ-CE2 4.13Å; F583-F585 HydrophobicContact CZ-CZ 4.31Å; F585-I592 HydrophobicContact CB-CB 4.19Å; F585-I592 HydrophobicContact CB-CD1 4.33Å; F585-I592 PolarHBondContact N-O 3.23Å; F585-I592 PolarHBondContact O-N 2.88Å; F585-V594 HydrophobicContact CE2-CG2 4.28Å
586D89.6Confident91.4Very high0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-98.3117.2174.4-177.1-27.6000108.5V564 N565 C566 L591 K614 Q676V564-D586 CarbonylContact C-O 3.53Å; V564-D586 WeakPolarHBondContact CG1-O 3.34Å; N565-D586 HydrophobicContact CB-CB 4.31Å; N565-D586 PolarHBondContact N-O 3.1Å; N565-D586 PolarHBondContact ND2-OD1 2.82Å; C566-D586 PolarHBondContact N-O 2.84Å; C566-D586 PolarHBondContact O-N 3.4Å; D586-L591 HydrophobicContact CB-CD1 4.26Å; D586-K614 IonicContact OD1-NZ 2.74Å; D586-K614 PolarHBondContact OD1-NZ 2.88Å; D586-K614 IonicContact OD2-NZ 2.86Å; D586-Q676 PolarHBondContact OD2-N 3.01Å
587T85.4Confident91.4Very high4 Ų443.3 Ų43.33%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-116.4168.9174.370.80000110.9M541 R563 V564 N565 N589 A590 K614M541-T587 HydrophobicContact CE-CG2 3.85Å; M541-T587 VanDerWaalsContact CE-OG1 3.28Å; M541-T587 WeakPolarHBondContact CE-OG1 3.33Å; M541-T587 HydrophobicContact SD-CG2 4.06Å; R563-T587 WeakPolarHBondContact O-CA 3.48Å; V564-T587 HydrophobicContact CG2-CG2 4.15Å; N565-T587 PolarHBondContact ND2-O 3.35Å; T587-N589 PolarHBondContact O-N 3.41Å; T587-N589 PolarHBondContact OG1-N 2.78Å; T587-A590 PolarHBondContact N-O 3.09Å; T587-A590 PolarHBondContact OG1-N 2.8Å; T587-A590 PolarHBondContact OG1-O 3.06Å; T587-K614 PolarHBondContact O-NZ 3.03Å
588E82.5Confident91.4Very high123 Ų12342.9 Ų42.958%0.57522%0.224SC*.SBendtrans-54.2-35.8172.1-173.5173.8-171.600112.5R563R563-E588 PolarHBondContact O-N 3.17Å
589N77.7Confident91.4Very high60 Ų6043.2 Ų43.232%0.32123%0.226SC..SBendtrans-102.5-18.3-169.8-66.5-35.7000114.9T587 K614 R617T587-N589 PolarHBondContact O-N 3.41Å; T587-N589 PolarHBondContact OG1-N 2.78Å; N589-K614 PolarHBondContact O-N 2.75Å; N589-R617 PolarHBondContact O-NH2 2.74Å
590A81.4Confident91.4Very high4 Ų439.5 Ų39.53%0.03321%0.213CC..EExtended strand (participates in β ladder)trans-162.6154.4-175.800000113M541 T587 E612M541-A590 HydrophobicContact CE-CB 3.52Å; T587-A590 PolarHBondContact N-O 3.09Å; T587-A590 PolarHBondContact OG1-N 2.8Å; T587-A590 PolarHBondContact OG1-O 3.06Å; A590-E612 CarbonylContact C-O 3.56Å; A590-E612 WeakPolarHBondContact CA-O 3.34Å; A590-E612 WeakPolarHBondContact CB-O 3.37Å
591L86.9Confident91.3Very high27 Ų2740.3 Ų40.314%0.14122%0.222CC..EExtended strand (participates in β ladder)trans-99.5123.4162.5177.165.2000108.2A584 D586 E612 I680A584-L591 HydrophobicContact CB-CD1 4.32Å; D586-L591 HydrophobicContact CB-CD1 4.26Å; L591-E612 HydrophobicContact CB-CB 4.48Å; L591-E612 PolarHBondContact N-O 2.88Å; L591-E612 WeakPolarHBondContact O-CB 3.38Å; L591-E612 PolarHBondContact O-N 2.76Å; L591-I680 HydrophobicContact CD1-CD1 4.25Å
592I86.8Confident91.3Very high12 Ų1236.4 Ų36.46%0.06221%0.21CC..EExtended strand (participates in β ladder)trans-109117.2178.6-57.4160.7000108.3M541 V544 A584 F585 I609 P611M541-I592 HydrophobicContact CE-CD1 3.45Å; M541-I592 VanDerWaalsContact CE-CD1 3.45Å; M541-I592 HydrophobicContact CE-CG1 3.97Å; M541-I592 HydrophobicContact SD-CD1 3.75Å; V544-I592 HydrophobicContact CG1-CD1 3.95Å; V544-I592 HydrophobicContact CG1-CG1 4.36Å; A584-I592 CarbonylContact C-O 3.55Å; A584-I592 WeakPolarHBondContact CA-O 3.43Å; F585-I592 HydrophobicContact CB-CB 4.19Å; F585-I592 HydrophobicContact CB-CD1 4.33Å; F585-I592 PolarHBondContact N-O 3.23Å; F585-I592 PolarHBondContact O-N 2.88Å; I592-I609 HydrophobicContact CG2-CG2 3.43Å; I592-I609 VanDerWaalsContact CG2-CG2 3.43Å; I592-P611 HydrophobicContact CG1-CB 4.24Å
593N91.4Very high91.5Very high47 Ų4735.5 Ų35.525%0.25121%0.205SC..EExtended strand (participates in β ladder)trans-100.1137.6176.6-70-50.6000110.4D610 E612N593-D610 PolarHBondContact N-O 2.76Å; N593-D610 PolarHBondContact O-N 2.91Å; N593-E612 PolarHBondContact ND2-OE1 3.4Å
594V93.4Very high91.6Very high11 Ų1136.7 Ų36.77%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-119.5122.8177.2-1740000109.3F583 F585 L607 T608 I609F583-V594 HydrophobicContact CB-CB 4.03Å; F583-V594 HydrophobicContact CD1-CB 3.6Å; F583-V594 HydrophobicContact CD1-CG1 3.61Å; F583-V594 HydrophobicContact CD1-CG2 4.35Å; F583-V594 HydrophobicContact CD2-CB 4.27Å; F583-V594 HydrophobicContact CD2-CG2 4.38Å; F583-V594 HydrophobicContact CE1-CB 4.08Å; F583-V594 HydrophobicContact CE1-CG1 3.81Å; F583-V594 HydrophobicContact CE1-CG2 4.47Å; F583-V594 HydrophobicContact CG-CB 3.7Å; F583-V594 HydrophobicContact CG-CG1 4.25Å; F583-V594 HydrophobicContact CG-CG2 4.3Å; F583-V594 PolarHBondContact O-N 2.87Å; F585-V594 HydrophobicContact CE2-CG2 4.28Å; V594-L607 HydrophobicContact CG1-CB 4.33Å; V594-T608 CarbonylContact C-O 3.41Å; V594-T608 VanDerWaalsContact CA-O 3.31Å; V594-T608 WeakPolarHBondContact CA-O 3.41Å; V594-I609 HydrophobicContact CG1-CG1 4.42Å; V594-I609 HydrophobicContact CG2-CG1 4.26Å; V594-I609 HydrophobicContact CG2-CG2 4.38Å
595T95.8Very high91.7Very high78 Ų7838.1 Ų38.148%0.47922%0.218SC..EExtended strand (participates in β ladder)trans-124172.7179.260.50000110.6L607 T608T595-L607 CarbonylContact O-C 3.46Å; T595-L607 VanDerWaalsContact O-CA 3.29Å; T595-L607 WeakPolarHBondContact O-CA 3.42Å; T595-T608 PolarHBondContact N-O 2.97Å; T595-T608 PolarHBondContact O-N 2.98Å
596G96.8Very high92.1Very high31 Ų3137.9 Ų37.932%0.3222%0.22SC..EExtended strand (participates in β ladder)trans110.9-151.2179.100000112.6P580 D606P580-G596 WeakPolarHBondContact CD-O 3.3Å; G596-D606 CarbonylContact C-O 3.47Å; G596-D606 WeakPolarHBondContact CA-O 3.3Å
597T97.4Very high92.4Very high45 Ų4539.3 Ų39.328%0.27623%0.228SC..EExtended strand (participates in β ladder)trans-144154.4-175.468.50000112.8V577 A578 R579 D606V577-T597 HydrophobicContact CG1-CG2 4.27Å; A578-T597 WeakPolarHBondContact O-CA 3.42Å; R579-T597 HydrophobicContact CG-CG2 3.89Å; T597-D606 PolarHBondContact N-O 2.87Å; T597-D606 PolarHBondContact O-N 3.07Å
598A97.7Very high92.8Very high18 Ų1840 Ų4015%0.14923%0.232CC..EExtended strand (participates in β ladder)trans-125.7127164.900000108.6A578 Q604 L605 F631A578-A598 HydrophobicContact CB-CB 4.42Å; A578-A598 PolarHBondContact N-O 3.01Å; A578-A598 PolarHBondContact O-N 2.8Å; A598-Q604 WeakPolarHBondContact CA-O 3.49Å; A598-L605 HydrophobicContact CB-CD2 3.69Å; A598-F631 HydrophobicContact CB-CE1 4.45Å
599S97.7Very high93.2Very high13 Ų1335.9 Ų35.99%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-108.3118.4-179179.80000110.8G576 A601 S602 E603 Q604 F631G576-S599 CarbonylContact O-C 3.54Å; G576-S599 WeakPolarHBondContact O-CA 3.44Å; S599-A601 VanDerWaalsContact C-N 3.3Å; S599-A601 PolarHBondContact OG-N 2.95Å; S599-S602 VanDerWaalsContact CB-OG 3.26Å; S599-S602 WeakPolarHBondContact CB-OG 3.24Å; S599-S602 PolarHBondContact OG-N 3.48Å; S599-S602 PolarHBondContact OG-OG 3.18Å; S599-E603 CarbonylContact O-C 3.53Å; S599-E603 WeakPolarHBondContact O-CA 3.31Å; S599-E603 PolarHBondContact O-N 3.13Å; S599-Q604 PolarHBondContact N-O 3.2Å; S599-Q604 PolarHBondContact O-N 3.34Å; S599-F631 VanDerWaalsContact O-CZ 3.28Å; S599-F631 WeakPolarHBondContact O-CZ 3.22Å
600F97.3Very high93.7Very high45 Ų4536 Ų3620%0.19721%0.214CC..THydrogen-bonded Turntrans-68.7-29.8168.2-57.9-64.3000112L400 L520 I573 G576 A578 F631L400-F600 HydrophobicContact CD1-CB 4.2Å; L400-F600 HydrophobicContact CD1-CD1 4.46Å; L520-F600 HydrophobicContact CB-CB 3.97Å; L520-F600 HydrophobicContact CB-CG 4.23Å; L520-F600 WeakPolarHBondContact O-CB 3.5Å; I573-F600 HydrophobicContact CD1-CE2 4.06Å; I573-F600 HydrophobicContact CG1-CE2 4.33Å; I573-F600 HydrophobicContact CG2-CD2 4.28Å; I573-F600 HydrophobicContact CG2-CE2 4.09Å; G576-F600 WeakPolarHBondContact O-CD2 3.3Å; G576-F600 PolarHBondContact O-N 2.99Å; A578-F600 HydrophobicContact CB-CE2 4.27Å; F600-F631 AromaticContact CD1-CE2 3.88Å; F600-F631 HydrophobicContact CD1-CE2 3.88Å; F600-F631 HydrophobicContact CD1-CZ 4.13Å; F600-F631 HydrophobicContact CE1-CE2 4.43Å
601A94.2Very high93.7Very high47 Ų4736.3 Ų36.339%0.38822%0.216SC..THydrogen-bonded Turntrans-67.8-46.8179.800000112.3G521 S599G521-A601 WeakPolarHBondContact O-CB 3.32Å; S599-A601 VanDerWaalsContact C-N 3.3Å; S599-A601 PolarHBondContact OG-N 2.95Å
602S94.8Very high93.5Very high49 Ų4937.7 Ų37.734%0.34322%0.222SC..THydrogen-bonded Turntrans-97.3-5.9178.367.30000113.4K398 S599 Q604K398-S602 PolarHBondContact NZ-O 3.11Å; S599-S602 VanDerWaalsContact CB-OG 3.26Å; S599-S602 WeakPolarHBondContact CB-OG 3.24Å; S599-S602 PolarHBondContact OG-N 3.48Å; S599-S602 PolarHBondContact OG-OG 3.18Å; S602-Q604 PolarHBondContact O-N 3.27Å; S602-Q604 WeakPolarHBondContact OG-CB 3.22Å; S602-Q604 WeakPolarHBondContact OG-CG 3.15Å
603E97Very high93.1Very high0 Ų037.6 Ų37.60%022%0.222CC..THydrogen-bonded Turntrans50.239.9-171.6-64.4-168-122.900112.6K398 V399 L400 S599 T630 F631K398-E603 VanDerWaalsContact CB-OE1 3.25Å; K398-E603 WeakPolarHBondContact CB-OE1 3.19Å; K398-E603 HydrophobicContact CD-CB 3.96Å; K398-E603 HydrophobicContact CD-CG 4Å; K398-E603 VanDerWaalsContact CD-OE1 3.26Å; K398-E603 WeakPolarHBondContact CD-OE1 3.4Å; V399-E603 WeakPolarHBondContact CA-OE2 3.43Å; V399-E603 WeakPolarHBondContact CB-OE2 3.26Å; V399-E603 PolarHBondContact N-OE1 3.18Å; V399-E603 PolarHBondContact N-OE2 3.44Å; L400-E603 HydrophobicContact CD1-CG 4.07Å; L400-E603 HydrophobicContact CG-CG 4.15Å; L400-E603 PolarHBondContact N-OE1 2.94Å; L400-E603 PolarHBondContact N-OE2 3.04Å; S599-E603 CarbonylContact O-C 3.53Å; S599-E603 WeakPolarHBondContact O-CA 3.31Å; S599-E603 PolarHBondContact O-N 3.13Å; E603-T630 CarbonylContact O-C 3.58Å; E603-T630 WeakPolarHBondContact O-CA 3.42Å; E603-F631 HydrophobicContact CB-CB 4.28Å; E603-F631 HydrophobicContact CB-CD1 4.47Å; E603-F631 HydrophobicContact CB-CD2 3.75Å; E603-F631 HydrophobicContact CB-CE2 4.2Å; E603-F631 HydrophobicContact CB-CG 3.92Å; E603-F631 HydrophobicContact CG-CD2 3.79Å; E603-F631 HydrophobicContact CG-CE2 4.1Å; E603-F631 HydrophobicContact CG-CG 4.45Å; E603-F631 WeakPolarHBondContact O-CD1 3.31Å; E603-F631 PolarHBondContact O-N 2.83Å
604Q96.6Very high92.5Very high81 Ų8136.9 Ų36.938%0.37922%0.217SC..EExtended strand (participates in β ladder)trans-110.9142.5-179.4-67-72.9-9.900111.2A598 S599 S602 G629A598-Q604 WeakPolarHBondContact CA-O 3.49Å; S599-Q604 PolarHBondContact N-O 3.2Å; S599-Q604 PolarHBondContact O-N 3.34Å; S602-Q604 PolarHBondContact O-N 3.27Å; S602-Q604 WeakPolarHBondContact OG-CB 3.22Å; S602-Q604 WeakPolarHBondContact OG-CG 3.15Å; Q604-G629 WeakPolarHBondContact CA-O 3.39Å; Q604-G629 PolarHBondContact OE1-O 3.38Å; Q604-G629 VanDerWaalsContact OE1-O 3.08Å
605L96.4Very high91.5Very high32 Ų3237.8 Ų37.817%0.16823%0.229CC..EExtended strand (participates in β ladder)trans-105.3137.6169.3-60.9166.9000108.8A598 L607 V627 R628 G629 F631 P634A598-L605 HydrophobicContact CB-CD2 3.69Å; L605-L607 HydrophobicContact CD2-CD1 4.44Å; L605-V627 HydrophobicContact CD1-CG1 4.2Å; L605-R628 VanDerWaalsContact O-CA 3.25Å; L605-R628 WeakPolarHBondContact O-CA 3.45Å; L605-G629 PolarHBondContact N-O 3.46Å; L605-G629 PolarHBondContact O-N 3.41Å; L605-F631 HydrophobicContact CD1-CD1 4.31Å; L605-F631 HydrophobicContact CD2-CD1 3.95Å; L605-F631 HydrophobicContact CD2-CE1 3.61Å; L605-F631 HydrophobicContact CG-CD1 3.8Å; L605-F631 HydrophobicContact CG-CE1 3.89Å; L605-P634 HydrophobicContact CD1-CB 3.91Å
606D97.1Very high90.1Very high68 Ų6840.1 Ų40.136%0.36424%0.237SC..EExtended strand (participates in β ladder)trans-143.282.1162.5-174.720.6000107.8G596 T597 R628G596-D606 CarbonylContact C-O 3.47Å; G596-D606 WeakPolarHBondContact CA-O 3.3Å; T597-D606 PolarHBondContact N-O 2.87Å; T597-D606 PolarHBondContact O-N 3.07Å; D606-R628 IonicContact OD1-CZ 3.5Å; D606-R628 IonicContact OD1-NE 3.12Å; D606-R628 PolarHBondContact OD1-NE 3.04Å; D606-R628 IonicContact OD1-NH2 4Å; D606-R628 PolarHBondContact OD1-NH2 3.46Å
607L95.3Very high88.5Confident30 Ų3041 Ų4116%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-108.2143.6-178.6-55.6176.6000110.1V594 T595 L605 Y626 V627V594-L607 HydrophobicContact CG1-CB 4.33Å; T595-L607 CarbonylContact O-C 3.46Å; T595-L607 VanDerWaalsContact O-CA 3.29Å; T595-L607 WeakPolarHBondContact O-CA 3.42Å; L605-L607 HydrophobicContact CD2-CD1 4.44Å; L607-Y626 CarbonylContact O-C 3.56Å; L607-Y626 WeakPolarHBondContact O-CA 3.35Å; L607-V627 HydrophobicContact CB-CB 4.27Å; L607-V627 PolarHBondContact N-O 2.95Å; L607-V627 PolarHBondContact O-N 3.39Å
608T94.4Very high86.5Confident19 Ų1944.1 Ų44.112%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-116.7127170.9-62.80000108.5V594 T595 P624 L625 K639V594-T608 CarbonylContact C-O 3.41Å; V594-T608 VanDerWaalsContact CA-O 3.31Å; V594-T608 WeakPolarHBondContact CA-O 3.41Å; T595-T608 PolarHBondContact N-O 2.97Å; T595-T608 PolarHBondContact O-N 2.98Å; T608-P624 HydrophobicContact CG2-CB 3.73Å; T608-L625 CarbonylContact C-O 3.53Å; T608-L625 WeakPolarHBondContact CA-O 3.35Å; T608-K639 WeakPolarHBondContact OG1-CE 3.34Å; T608-K639 PolarHBondContact OG1-NZ 3.38Å
609I90.4Very high84.8Confident36 Ų3648.2 Ų48.219%0.18526%0.263CS..EExtended strand (participates in β ladder)trans-106.9118.6177.4-53.2169.7000107.2V544 I592 V594 P624 L625 V627V544-I609 HydrophobicContact CG1-CG2 4.36Å; I592-I609 HydrophobicContact CG2-CG2 3.43Å; I592-I609 VanDerWaalsContact CG2-CG2 3.43Å; V594-I609 HydrophobicContact CG1-CG1 4.42Å; V594-I609 HydrophobicContact CG2-CG1 4.26Å; V594-I609 HydrophobicContact CG2-CG2 4.38Å; I609-P624 CarbonylContact O-C 3.18Å; I609-P624 VanDerWaalsContact O-CA 3.24Å; I609-P624 WeakPolarHBondContact O-CA 3.22Å; I609-L625 HydrophobicContact CB-CB 4.1Å; I609-L625 HydrophobicContact CD1-CB 4.44Å; I609-L625 PolarHBondContact N-O 2.97Å; I609-L625 PolarHBondContact O-N 2.93Å; I609-V627 HydrophobicContact CD1-CG2 3.89Å
610D88.6Confident83.1Confident63 Ų6348 Ų4834%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-118.7101.8-175.4-160.812000110.4N593N593-D610 PolarHBondContact N-O 2.76Å; N593-D610 PolarHBondContact O-N 2.91Å
611P82.5Confident81.3Confident11 Ų1149 Ų497%0.07127%0.268CS..EExtended strand (participates in β ladder)trans-86.3122.7179.331.8-32.1000112.6V544 I592V544-P611 HydrophobicContact CG1-CB 4.26Å; I592-P611 HydrophobicContact CG1-CB 4.24Å
612E82.3Confident80.1Confident56 Ų5648.9 Ų48.926%0.26226%0.257SS..EExtended strand (participates in β ladder)trans-106.5121175.6-65.7169.4-154.700110.7A590 L591 N593A590-E612 CarbonylContact C-O 3.56Å; A590-E612 WeakPolarHBondContact CA-O 3.34Å; A590-E612 WeakPolarHBondContact CB-O 3.37Å; L591-E612 HydrophobicContact CB-CB 4.48Å; L591-E612 PolarHBondContact N-O 2.88Å; L591-E612 WeakPolarHBondContact O-CB 3.38Å; L591-E612 PolarHBondContact O-N 2.76Å; N593-E612 PolarHBondContact ND2-OE1 3.4Å
613S78.1Confident79.2Confident10 Ų1046.6 Ų46.67%0.0724%0.241CC..EExtended strand (participates in β ladder)trans-80.9134.2-177.5-1760000112.3G615 R617 E671S613-G615 VanDerWaalsContact C-N 3.26Å; S613-G615 PolarHBondContact O-N 3Å; S613-G615 PolarHBondContact OG-N 2.95Å; S613-G615 PolarHBondContact OG-O 3.47Å; S613-R617 WeakPolarHBondContact OG-CD 3.42Å; S613-R617 PolarHBondContact OG-NE 2.92Å; S613-E671 PolarHBondContact O-N 2.89Å
614K78.8Confident78.6Confident32 Ų3247.6 Ų47.614%0.13925%0.248CC..SBendtrans-84.44.8173.5-67.8178.7176.2175.40114.3D586 T587 N589 S670 A674D586-K614 IonicContact OD1-NZ 2.74Å; D586-K614 PolarHBondContact OD1-NZ 2.88Å; D586-K614 IonicContact OD2-NZ 2.86Å; T587-K614 PolarHBondContact O-NZ 3.03Å; N589-K614 PolarHBondContact O-N 2.75Å; K614-S670 PolarHBondContact O-OG 3.47Å; K614-A674 PolarHBondContact NZ-O 2.95Å
615G72.9Confident78.1Confident30 Ų3044.9 Ų44.931%0.30924%0.235SC..SBendtrans-146.3162.9179.200000112S613 R617S613-G615 VanDerWaalsContact C-N 3.26Å; S613-G615 PolarHBondContact O-N 3Å; S613-G615 PolarHBondContact OG-N 2.95Å; S613-G615 PolarHBondContact OG-O 3.47Å; G615-R617 PolarHBondContact O-N 3.35Å
616I65.8Low77.8Confident127 Ų12746.3 Ų46.365%0.65124%0.239SC*.  trans-65.9128.4178.6-61.2171.4000109.2S668I616-S668 WeakPolarHBondContact CA-O 3.4Å
617R63.5Low77.6Confident49 Ų4944.5 Ų44.519%0.18523%0.231CC..BIsolated β-bridgetrans-120.4129.7174.7-63.9-171.8-174.6-138.50.6109.8N547 N589 S613 G615 T620 I667 S668N547-R617 PolarHBondContact ND2-NH1 2.96Å; N589-R617 PolarHBondContact O-NH2 2.74Å; S613-R617 WeakPolarHBondContact OG-CD 3.42Å; S613-R617 PolarHBondContact OG-NE 2.92Å; G615-R617 PolarHBondContact O-N 3.35Å; R617-T620 HydrophobicContact CB-CG2 3.95Å; R617-I667 WeakPolarHBondContact O-CA 3.49Å; R617-S668 PolarHBondContact N-O 2.95Å; R617-S668 PolarHBondContact O-N 2.89Å
618I56.1Low77.5Confident111 Ų11148.4 Ų48.457%0.56924%0.243SC*.SBendtrans-88.6-29.5-172.9-56.8173000111.7I667I618-I667 HydrophobicContact CG2-CG1 4.42Å
619I61.4Low77.5Confident104 Ų10448.5 Ų48.553%0.53325%0.247SC..SBendtrans-133.989.9177.5-52.7174.7000107.8N547N547-I619 PolarHBondContact OD1-O 3.01Å
620T61.2Low77.7Confident8 Ų848.3 Ų48.35%0.04925%0.248CC..  trans-131.3133.2171.8-178.90000111.2N547 R617 R622 L666N547-T620 WeakPolarHBondContact OD1-CB 3.38Å; N547-T620 PolarHBondContact OD1-OG1 3.31Å; R617-T620 HydrophobicContact CB-CG2 3.95Å; T620-R622 VanDerWaalsContact C-N 3.27Å; T620-R622 HydrophobicContact CG2-CB 4.14Å; T620-R622 PolarHBondContact OG1-N 3.22Å; T620-L666 PolarHBondContact N-O 3.5Å
621L61Low77.9Confident66 Ų6647.7 Ų47.735%0.34624%0.243SC..  trans-77.3-15.2173.8-80.794.5000112.1L546 S623 L643 R646L546-L621 HydrophobicContact CB-CB 3.97Å; L546-L621 HydrophobicContact CD1-CB 4.43Å; L546-L621 WeakPolarHBondContact O-CD1 3.08Å; L621-S623 PolarHBondContact O-N 2.9Å; L621-L643 HydrophobicContact CB-CD2 3.66Å; L621-L643 HydrophobicContact CD2-CD1 4.19Å; L621-L643 HydrophobicContact CD2-CD2 3.79Å; L621-L643 HydrophobicContact CG-CD2 4.15Å; L621-L643 WeakPolarHBondContact O-CD2 3.35Å; L621-R646 PolarHBondContact O-NH1 3.46Å
622R67.3Low78.3Confident45 Ų4553.7 Ų53.717%0.1727%0.267CS..  trans20.857.4177.6-145.7-152.8-44.7-17019.4113.8T620 R646 S668 E671T620-R622 VanDerWaalsContact C-N 3.27Å; T620-R622 HydrophobicContact CG2-CB 4.14Å; T620-R622 PolarHBondContact OG1-N 3.22Å; R622-R646 VanDerWaalsContact C-NH1 3.32Å; R622-R646 PolarHBondContact O-NH1 3.22Å; R622-R646 PolarHBondContact O-NH2 2.79Å; R622-S668 PolarHBondContact NE-OG 3.49Å; R622-S668 PolarHBondContact NH1-OG 3.44Å; R622-S668 PolarHBondContact NH2-OG 2.83Å; R622-E671 IonicContact CZ-OE1 3.08Å; R622-E671 IonicContact NH1-OE1 2.56Å; R622-E671 PolarHBondContact NH1-OE1 2.95Å; R622-E671 IonicContact NH1-OE2 2.66Å
623S77.4Confident78.8Confident0 Ų055.7 Ų55.70%028%0.28CS..  trans-109.3133.9173.9-174.80000108.1L621 L625 K639 L643L621-S623 PolarHBondContact O-N 2.9Å; S623-L625 PolarHBondContact O-N 3.21Å; S623-K639 PolarHBondContact OG-O 3.12Å; S623-L643 VanDerWaalsContact CB-CD2 3.46Å
624P84.3Confident79.4Confident22 Ų2258.6 Ų58.614%0.14330%0.299CS..  trans-56.1139.4176.2-2130.9000110.3T608 I609 K639T608-P624 HydrophobicContact CG2-CB 3.73Å; I609-P624 CarbonylContact O-C 3.18Å; I609-P624 VanDerWaalsContact O-CA 3.24Å; I609-P624 WeakPolarHBondContact O-CA 3.22Å; P624-K639 HydrophobicContact CB-CD 4.17Å; P624-K639 WeakPolarHBondContact O-CB 3.2Å; P624-K639 WeakPolarHBondContact O-CG 3.49Å; P624-K639 PolarHBondContact O-N 3.18Å
625L86.2Confident79.9Confident23 Ų2362.3 Ų62.312%0.1232%0.317CS..EExtended strand (participates in β ladder)trans-83.9158.8170-45.5173.6000108.6V544 L546 T608 I609 S623 G637 V638V544-L625 HydrophobicContact CB-CD1 4.48Å; V544-L625 HydrophobicContact CG1-CD1 4.26Å; L546-L625 HydrophobicContact CD1-CD2 3.87Å; L546-L625 HydrophobicContact CD2-CD2 4.04Å; L546-L625 HydrophobicContact CG-CD2 3.99Å; T608-L625 CarbonylContact C-O 3.53Å; T608-L625 WeakPolarHBondContact CA-O 3.35Å; I609-L625 HydrophobicContact CB-CB 4.1Å; I609-L625 HydrophobicContact CD1-CB 4.44Å; I609-L625 PolarHBondContact N-O 2.97Å; I609-L625 PolarHBondContact O-N 2.93Å; S623-L625 PolarHBondContact O-N 3.21Å; L625-G637 CarbonylContact C-O 3.34Å; L625-G637 VanDerWaalsContact CA-O 3.29Å; L625-G637 WeakPolarHBondContact CA-O 3.48Å; L625-V638 HydrophobicContact CD2-CB 4.4Å; L625-V638 HydrophobicContact CD2-CG1 4.46Å; L625-V638 HydrophobicContact CD2-CG2 3.8Å
626Y89.7Confident80.5Confident63 Ų6364.8 Ų64.825%0.24733%0.334CS..EExtended strand (participates in β ladder)trans-123.8150.1168.967.3-96.2000110.2L607 R628 A636 G637 K639L607-Y626 CarbonylContact O-C 3.56Å; L607-Y626 WeakPolarHBondContact O-CA 3.35Å; Y626-R628 HydrophobicContact CD2-CB 4.02Å; Y626-R628 HydrophobicContact CD2-CG 3.85Å; Y626-R628 HydrophobicContact CE2-CB 4.43Å; Y626-A636 VanDerWaalsContact O-CA 3.27Å; Y626-A636 WeakPolarHBondContact O-CA 3.4Å; Y626-G637 WeakPolarHBondContact CD1-O 3.25Å; Y626-G637 VanDerWaalsContact CE1-C 3.43Å; Y626-G637 PolarHBondContact N-O 3.31Å; Y626-G637 PolarHBondContact O-N 2.81Å; Y626-K639 HydrophobicContact CD1-CG 4.08Å
627V92.4Very high81.5Confident30 Ų3059.7 Ų59.718%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-124114.3165.3-177.50000107.1L605 L607 I609 P634 Q635 A636L605-V627 HydrophobicContact CD1-CG1 4.2Å; L607-V627 HydrophobicContact CB-CB 4.27Å; L607-V627 PolarHBondContact N-O 2.95Å; L607-V627 PolarHBondContact O-N 3.39Å; I609-V627 HydrophobicContact CD1-CG2 3.89Å; V627-P634 HydrophobicContact CG1-CB 4.31Å; V627-Q635 WeakPolarHBondContact CA-O 3.46Å; V627-A636 HydrophobicContact CG2-CB 4.34Å
628R93.6Very high82.5Confident112 Ų11259.7 Ų59.742%0.42332%0.318SS..EExtended strand (participates in β ladder)trans-132.2165.6-173.7-76.5178.4173.7172.9-5.3112.3L605 D606 Y626 Q635L605-R628 VanDerWaalsContact O-CA 3.25Å; L605-R628 WeakPolarHBondContact O-CA 3.45Å; D606-R628 IonicContact OD1-CZ 3.5Å; D606-R628 IonicContact OD1-NE 3.12Å; D606-R628 PolarHBondContact OD1-NE 3.04Å; D606-R628 IonicContact OD1-NH2 4Å; D606-R628 PolarHBondContact OD1-NH2 3.46Å; Y626-R628 HydrophobicContact CD2-CB 4.02Å; Y626-R628 HydrophobicContact CD2-CG 3.85Å; Y626-R628 HydrophobicContact CE2-CB 4.43Å; R628-Q635 PolarHBondContact N-O 3.08Å; R628-Q635 PolarHBondContact O-N 2.75Å
629G93.8Very high83.7Confident20 Ų2057.5 Ų57.521%0.20630%0.304CS..EExtended strand (participates in β ladder)trans100.7-169.5175.500000112.2Q604 L605Q604-G629 WeakPolarHBondContact CA-O 3.39Å; Q604-G629 PolarHBondContact OE1-O 3.38Å; Q604-G629 VanDerWaalsContact OE1-O 3.08Å; L605-G629 PolarHBondContact N-O 3.46Å; L605-G629 PolarHBondContact O-N 3.41Å
630T94.7Very high84.7Confident32 Ų3255.1 Ų55.120%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-78.5159.3-173.863.60000111.8E603 K632 N633 P634E603-T630 CarbonylContact O-C 3.58Å; E603-T630 WeakPolarHBondContact O-CA 3.42Å; T630-K632 PolarHBondContact O-N 2.91Å; T630-K632 VanDerWaalsContact O-N 3.15Å; T630-N633 CarbonylContact O-C 3.59Å; T630-N633 PolarHBondContact O-N 3.45Å; T630-N633 PolarHBondContact OG1-N 2.83Å; T630-P634 VanDerWaalsContact O-N 3.12Å
631F93.8Very high85.8Confident51 Ų5157 Ų5722%0.22432%0.322CS..THydrogen-bonded Turntrans-54.3-33.2172.2-68.7-3.9000112.6V399 A598 S599 F600 E603 L605V399-F631 HydrophobicContact CG2-CB 4.13Å; A598-F631 HydrophobicContact CB-CE1 4.45Å; S599-F631 VanDerWaalsContact O-CZ 3.28Å; S599-F631 WeakPolarHBondContact O-CZ 3.22Å; F600-F631 AromaticContact CD1-CE2 3.88Å; F600-F631 HydrophobicContact CD1-CE2 3.88Å; F600-F631 HydrophobicContact CD1-CZ 4.13Å; F600-F631 HydrophobicContact CE1-CE2 4.43Å; E603-F631 HydrophobicContact CB-CB 4.28Å; E603-F631 HydrophobicContact CB-CD1 4.47Å; E603-F631 HydrophobicContact CB-CD2 3.75Å; E603-F631 HydrophobicContact CB-CE2 4.2Å; E603-F631 HydrophobicContact CB-CG 3.92Å; E603-F631 HydrophobicContact CG-CD2 3.79Å; E603-F631 HydrophobicContact CG-CE2 4.1Å; E603-F631 HydrophobicContact CG-CG 4.45Å; E603-F631 WeakPolarHBondContact O-CD1 3.31Å; E603-F631 PolarHBondContact O-N 2.83Å; L605-F631 HydrophobicContact CD1-CD1 4.31Å; L605-F631 HydrophobicContact CD2-CD1 3.95Å; L605-F631 HydrophobicContact CD2-CE1 3.61Å; L605-F631 HydrophobicContact CG-CD1 3.8Å; L605-F631 HydrophobicContact CG-CE1 3.89Å
632K90.8Very high86.7Confident136 Ų13656.2 Ų56.259%0.59132%0.32SS*.THydrogen-bonded Turntrans-73.5-30.6177.7-165.7169.5-172.9167.40113.6G397 V399 T630G397-K632 WeakPolarHBondContact O-CB 3.46Å; V399-K632 HydrophobicContact CG2-CB 3.64Å; V399-K632 HydrophobicContact CG2-CG 4.17Å; T630-K632 PolarHBondContact O-N 2.91Å; T630-K632 VanDerWaalsContact O-N 3.15Å
633N92.3Very high87.1Confident98 Ų9856.4 Ų56.452%0.52432%0.324SS..EExtended strand (participates in β ladder)trans-139.269.7-176.4-169.922.6000110.6T630T630-N633 CarbonylContact O-C 3.59Å; T630-N633 PolarHBondContact O-N 3.45Å; T630-N633 PolarHBondContact OG1-N 2.83Å
634P90.9Very high87.2Confident71 Ų7162.2 Ų62.246%0.46135%0.354SS..EExtended strand (participates in β ladder)trans-69132.8175.929.4-34.1000109.8L605 V627 T630L605-P634 HydrophobicContact CD1-CB 3.91Å; V627-P634 HydrophobicContact CG1-CB 4.31Å; T630-P634 VanDerWaalsContact O-N 3.12Å
635Q88.5Confident87.1Confident111 Ų11163.9 Ų63.952%0.51937%0.37SS..EExtended strand (participates in β ladder)trans-113.9120.1178.3-62.7179.83.500109V627 R628V627-Q635 WeakPolarHBondContact CA-O 3.46Å; R628-Q635 PolarHBondContact N-O 3.08Å; R628-Q635 PolarHBondContact O-N 2.75Å
636A86.1Confident86.6Confident82 Ų8266.1 Ų66.168%0.67838%0.376SS*.EExtended strand (participates in β ladder)trans-98.1145.1172.400000110.5Y626 V627Y626-A636 VanDerWaalsContact O-CA 3.27Å; Y626-A636 WeakPolarHBondContact O-CA 3.4Å; V627-A636 HydrophobicContact CG2-CB 4.34Å
637G85.8Confident86.2Confident19 Ų1965 Ų6520%0.19639%0.385CS..EExtended strand (participates in β ladder)trans-165179.8175.500000112.7L625 Y626L625-G637 CarbonylContact C-O 3.34Å; L625-G637 VanDerWaalsContact CA-O 3.29Å; L625-G637 WeakPolarHBondContact CA-O 3.48Å; Y626-G637 WeakPolarHBondContact CD1-O 3.25Å; Y626-G637 VanDerWaalsContact CE1-C 3.43Å; Y626-G637 PolarHBondContact N-O 3.31Å; Y626-G637 PolarHBondContact O-N 2.81Å
638V84.6Confident85.7Confident49 Ų4966.6 Ų66.630%0.29740%0.401SS..EExtended strand (participates in β ladder)trans-100.9135.7179.7-173.50000109.7L546 L625 A640 L643L546-V638 HydrophobicContact CD1-CB 4.38Å; L546-V638 HydrophobicContact CD1-CG1 3.51Å; L546-V638 HydrophobicContact CD1-CG2 3.92Å; L546-V638 HydrophobicContact CD2-CG2 3.58Å; L546-V638 HydrophobicContact CG-CG2 4.38Å; L625-V638 HydrophobicContact CD2-CB 4.4Å; L625-V638 HydrophobicContact CD2-CG1 4.46Å; L625-V638 HydrophobicContact CD2-CG2 3.8Å; V638-A640 PolarHBondContact O-N 3.11Å; V638-A640 VanDerWaalsContact O-N 3.08Å; V638-L643 HydrophobicContact CB-CD1 4.5Å; V638-L643 HydrophobicContact CG1-CD1 3.63Å; V638-L643 HydrophobicContact CG1-CG 4.23Å
639K82.9Confident85.3Confident65 Ų6564.9 Ų64.928%0.28340%0.403SS..  trans-67110.9170.1-68.3-170.5-174.4177.80109.1T608 S623 P624 Y626 G641T608-K639 WeakPolarHBondContact OG1-CE 3.34Å; T608-K639 PolarHBondContact OG1-NZ 3.38Å; S623-K639 PolarHBondContact OG-O 3.12Å; P624-K639 HydrophobicContact CB-CD 4.17Å; P624-K639 WeakPolarHBondContact O-CB 3.2Å; P624-K639 WeakPolarHBondContact O-CG 3.49Å; P624-K639 PolarHBondContact O-N 3.18Å; Y626-K639 HydrophobicContact CD1-CG 4.08Å; K639-G641 VanDerWaalsContact C-N 3.25Å; K639-G641 PolarHBondContact O-N 3.21Å
640A82.4Confident84.8Confident55 Ų5564.7 Ų64.746%0.45540%0.399SS..Hα-helixtrans-68.2-23.7-177.500000113.4V638 L643 I644V638-A640 PolarHBondContact O-N 3.11Å; V638-A640 VanDerWaalsContact O-N 3.08Å; A640-L643 WeakPolarHBondContact O-CB 3.21Å; A640-L643 PolarHBondContact O-N 3.35Å; A640-L643 VanDerWaalsContact O-N 3.12Å; A640-I644 HydrophobicContact CB-CD1 4.11Å; A640-I644 VanDerWaalsContact O-CG1 3.32Å; A640-I644 WeakPolarHBondContact O-CG1 3.16Å; A640-I644 PolarHBondContact O-N 3.33Å
641G82.7Confident84.2Confident48 Ų4865.8 Ų65.850%0.49541%0.411SS..Hα-helixtrans-53.4-59.1-175.600000114.2K639 L643 I644 A645K639-G641 VanDerWaalsContact C-N 3.25Å; K639-G641 PolarHBondContact O-N 3.21Å; G641-L643 PolarHBondContact O-N 2.94Å; G641-I644 PolarHBondContact O-N 2.89Å; G641-A645 PolarHBondContact O-N 3.11Å
642P80Confident83.8Confident49 Ų4965.2 Ų65.232%0.31842%0.416SS..Hα-helixtrans-59.3-32.4176-27.336.5000113.9R646P642-R646 WeakPolarHBondContact O-CG 3.48Å; P642-R646 PolarHBondContact O-N 3.13Å; P642-R646 VanDerWaalsContact O-N 3.07Å
643L76.5Confident83.7Confident48 Ų4860.9 Ų60.925%0.25140%0.399SS..Hα-helixtrans-67.7-46.9177-61-172.8000112.1L621 S623 V638 A640 G641 A645 R646 G647L621-L643 HydrophobicContact CB-CD2 3.66Å; L621-L643 HydrophobicContact CD2-CD1 4.19Å; L621-L643 HydrophobicContact CD2-CD2 3.79Å; L621-L643 HydrophobicContact CG-CD2 4.15Å; L621-L643 WeakPolarHBondContact O-CD2 3.35Å; S623-L643 VanDerWaalsContact CB-CD2 3.46Å; V638-L643 HydrophobicContact CB-CD1 4.5Å; V638-L643 HydrophobicContact CG1-CD1 3.63Å; V638-L643 HydrophobicContact CG1-CG 4.23Å; A640-L643 WeakPolarHBondContact O-CB 3.21Å; A640-L643 PolarHBondContact O-N 3.35Å; A640-L643 VanDerWaalsContact O-N 3.12Å; G641-L643 PolarHBondContact O-N 2.94Å; L643-A645 VanDerWaalsContact C-N 3.33Å; L643-A645 PolarHBondContact O-N 2.99Å; L643-R646 PolarHBondContact O-N 3.42Å; L643-G647 PolarHBondContact O-N 3.12Å
644I80.3Confident83.4Confident122 Ų12257.9 Ų57.963%0.62639%0.388SS*.Hα-helixtrans-61.4-45.1178.3-68.3165.4000109.8A640 G641 R646 G647 A648A640-I644 HydrophobicContact CB-CD1 4.11Å; A640-I644 VanDerWaalsContact O-CG1 3.32Å; A640-I644 WeakPolarHBondContact O-CG1 3.16Å; A640-I644 PolarHBondContact O-N 3.33Å; G641-I644 PolarHBondContact O-N 2.89Å; I644-R646 PolarHBondContact O-N 3.43Å; I644-G647 PolarHBondContact O-N 3.37Å; I644-A648 PolarHBondContact O-N 3.26Å
645A80.2Confident83.2Confident57 Ų5759.9 Ų59.947%0.47140%0.399SS..Hα-helixtrans-59.3-47.7177.700000111.9G641 L643 A648 V649G641-A645 PolarHBondContact O-N 3.11Å; L643-A645 VanDerWaalsContact C-N 3.33Å; L643-A645 PolarHBondContact O-N 2.99Å; A645-A648 PolarHBondContact O-N 2.85Å; A645-V649 WeakPolarHBondContact O-CG2 3.27Å; A645-V649 PolarHBondContact O-N 2.9Å
646R77.6Confident83.2Confident70 Ų7061.5 Ų61.526%0.26441%0.411SS..Hα-helixtrans-67.4-38.3177.5-74.1-173.6-173.4144.36.9113.1L621 R622 P642 L643 I644 A648 V649 A650L621-R646 PolarHBondContact O-NH1 3.46Å; R622-R646 VanDerWaalsContact C-NH1 3.32Å; R622-R646 PolarHBondContact O-NH1 3.22Å; R622-R646 PolarHBondContact O-NH2 2.79Å; P642-R646 WeakPolarHBondContact O-CG 3.48Å; P642-R646 PolarHBondContact O-N 3.13Å; P642-R646 VanDerWaalsContact O-N 3.07Å; L643-R646 PolarHBondContact O-N 3.42Å; I644-R646 PolarHBondContact O-N 3.43Å; R646-A648 VanDerWaalsContact C-N 3.3Å; R646-A648 PolarHBondContact O-N 3.3Å; R646-V649 PolarHBondContact O-N 2.87Å; R646-A650 VanDerWaalsContact O-CB 3.32Å; R646-A650 WeakPolarHBondContact O-CB 3.24Å; R646-A650 PolarHBondContact O-N 3.34Å
647G80Confident83.2Confident41 Ų4162.2 Ų62.242%0.42341%0.406SS..Hα-helixtrans-59-42173.900000112L643 I644 A650 A651L643-G647 PolarHBondContact O-N 3.12Å; I644-G647 PolarHBondContact O-N 3.37Å; G647-A650 PolarHBondContact O-N 2.94Å; G647-A651 VanDerWaalsContact O-CB 3.32Å; G647-A651 WeakPolarHBondContact O-CB 3.45Å; G647-A651 PolarHBondContact O-N 2.65Å
648A82.3Confident83.1Confident62 Ų6264.6 Ų64.651%0.51242%0.417SS..Hα-helixtrans-64.4-43.1174.700000112.4I644 A645 R646 A651 A652I644-A648 PolarHBondContact O-N 3.26Å; A645-A648 PolarHBondContact O-N 2.85Å; R646-A648 VanDerWaalsContact C-N 3.3Å; R646-A648 PolarHBondContact O-N 3.3Å; A648-A651 PolarHBondContact O-N 3.33Å; A648-A652 WeakPolarHBondContact O-CB 3.27Å; A648-A652 PolarHBondContact O-N 3.3Å
649V84.5Confident82.9Confident77 Ų7767.5 Ų67.547%0.46744%0.437SS..Hα-helixtrans-64.5-44.7175.6175.40000111.3A645 R646 A651 A652 L653 A665A645-V649 WeakPolarHBondContact O-CG2 3.27Å; A645-V649 PolarHBondContact O-N 2.9Å; R646-V649 PolarHBondContact O-N 2.87Å; V649-A651 VanDerWaalsContact C-N 3.34Å; V649-A651 PolarHBondContact O-N 3.38Å; V649-A652 PolarHBondContact O-N 2.93Å; V649-L653 HydrophobicContact CG1-CD1 3.9Å; V649-L653 HydrophobicContact CG1-CG 4.35Å; V649-L653 WeakPolarHBondContact O-CB 3.34Å; V649-L653 WeakPolarHBondContact O-CG 3.37Å; V649-L653 PolarHBondContact O-N 3.41Å; V649-A665 HydrophobicContact CB-CB 4.34Å; V649-A665 HydrophobicContact CG1-CB 3.97Å
650A83.3Confident82.9Confident16 Ų1667.6 Ų67.613%0.13245%0.45CS..Hα-helixtrans-60.3-43.917700000111.3R646 G647 L653 A654 A662 A665R646-A650 VanDerWaalsContact O-CB 3.32Å; R646-A650 WeakPolarHBondContact O-CB 3.24Å; R646-A650 PolarHBondContact O-N 3.34Å; G647-A650 PolarHBondContact O-N 2.94Å; A650-L653 PolarHBondContact O-N 2.99Å; A650-A654 VanDerWaalsContact O-CB 3.31Å; A650-A654 WeakPolarHBondContact O-CB 3.33Å; A650-A654 PolarHBondContact O-N 2.97Å; A650-A662 HydrophobicContact CB-CB 4.3Å; A650-A662 WeakPolarHBondContact O-CB 3.42Å; A650-A665 HydrophobicContact CB-CB 3.83Å
651A83Confident83Confident54 Ų5465.3 Ų65.345%0.44643%0.431SS..Hα-helixtrans-64.2-42.5175.500000112.1G647 A648 V649 A654 T655G647-A651 VanDerWaalsContact O-CB 3.32Å; G647-A651 WeakPolarHBondContact O-CB 3.45Å; G647-A651 PolarHBondContact O-N 2.65Å; A648-A651 PolarHBondContact O-N 3.33Å; V649-A651 VanDerWaalsContact C-N 3.34Å; V649-A651 PolarHBondContact O-N 3.38Å; A651-A654 PolarHBondContact O-N 2.91Å; A651-T655 VanDerWaalsContact O-CG2 3.29Å; A651-T655 WeakPolarHBondContact O-CG2 3.31Å; A651-T655 PolarHBondContact O-N 3.19Å; A651-T655 PolarHBondContact O-OG1 3.5Å
652A85.6Confident82.9Confident40 Ų4064 Ų6433%0.33142%0.415SS..Hα-helixtrans-63.5-41.8175.200000111.9A648 V649 T655 L656A648-A652 WeakPolarHBondContact O-CB 3.27Å; A648-A652 PolarHBondContact O-N 3.3Å; V649-A652 PolarHBondContact O-N 2.93Å; A652-T655 WeakPolarHBondContact CA-OG1 3.23Å; A652-T655 PolarHBondContact O-N 3.49Å; A652-T655 PolarHBondContact O-OG1 2.86Å; A652-T655 VanDerWaalsContact O-OG1 3.05Å; A652-L656 HydrophobicContact CB-CD1 4.36Å; A652-L656 WeakPolarHBondContact O-CB 3.3Å; A652-L656 WeakPolarHBondContact O-CG 3.42Å; A652-L656 PolarHBondContact O-N 3.27Å
653L87.4Confident82.8Confident44 Ų4465.5 Ų65.523%0.2342%0.42CS..Hα-helixtrans-67.1-38.8175.6-71.1170.5000112.1V649 A650 T655 V657 T658 A661 L664 A665V649-L653 HydrophobicContact CG1-CD1 3.9Å; V649-L653 HydrophobicContact CG1-CG 4.35Å; V649-L653 WeakPolarHBondContact O-CB 3.34Å; V649-L653 WeakPolarHBondContact O-CG 3.37Å; V649-L653 PolarHBondContact O-N 3.41Å; A650-L653 PolarHBondContact O-N 2.99Å; L653-T655 VanDerWaalsContact C-N 3.31Å; L653-T655 PolarHBondContact O-N 3.29Å; L653-V657 HydrophobicContact CD2-CG2 4.16Å; L653-V657 WeakPolarHBondContact O-CA 3.4Å; L653-V657 WeakPolarHBondContact O-CB 3.38Å; L653-V657 PolarHBondContact O-N 3.49Å; L653-T658 PolarHBondContact O-N 3.4Å; L653-A661 HydrophobicContact CB-CB 4.1Å; L653-A661 WeakPolarHBondContact CD1-O 3.27Å; L653-L664 HydrophobicContact CD1-CB 4.22Å; L653-A665 HydrophobicContact CD1-CB 4.23Å
654A86.4Confident82.9Confident35 Ų3568.6 Ų68.629%0.28944%0.437SS..Hα-helixtrans-60.4-41.5175.300000112.1A650 A651 T658 A662A650-A654 VanDerWaalsContact O-CB 3.31Å; A650-A654 WeakPolarHBondContact O-CB 3.33Å; A650-A654 PolarHBondContact O-N 2.97Å; A651-A654 PolarHBondContact O-N 2.91Å; A654-T658 WeakPolarHBondContact CA-O 3.39Å; A654-T658 CarbonylContact O-C 3.45Å; A654-A662 HydrophobicContact CB-CB 4.04Å
655T87.5Confident82.6Confident114 Ų11463.6 Ų63.670%0.69941%0.413SS*.Hα-helixtrans-82.6-40.5-177.355.30000113.2A651 A652 L653A651-T655 VanDerWaalsContact O-CG2 3.29Å; A651-T655 WeakPolarHBondContact O-CG2 3.31Å; A651-T655 PolarHBondContact O-N 3.19Å; A651-T655 PolarHBondContact O-OG1 3.5Å; A652-T655 WeakPolarHBondContact CA-OG1 3.23Å; A652-T655 PolarHBondContact O-N 3.49Å; A652-T655 PolarHBondContact O-OG1 2.86Å; A652-T655 VanDerWaalsContact O-OG1 3.05Å; L653-T655 VanDerWaalsContact C-N 3.31Å; L653-T655 PolarHBondContact O-N 3.29Å
656L87.8Confident82.2Confident145 Ų14563.3 Ų63.376%0.75940%0.404SS*.Hα-helixtrans-88.4-27-173.8-63.2171.7000113.8A652A652-L656 HydrophobicContact CB-CD1 4.36Å; A652-L656 WeakPolarHBondContact O-CB 3.3Å; A652-L656 WeakPolarHBondContact O-CG 3.42Å; A652-L656 PolarHBondContact O-N 3.27Å
657V87.3Confident81.8Confident96 Ų9663.5 Ų63.558%0.58241%0.409SS*.THydrogen-bonded Turntrans-117.4-77.4-173.4-173.70000110.3L653 A661L653-V657 HydrophobicContact CD2-CG2 4.16Å; L653-V657 WeakPolarHBondContact O-CA 3.4Å; L653-V657 WeakPolarHBondContact O-CB 3.38Å; L653-V657 PolarHBondContact O-N 3.49Å; V657-A661 HydrophobicContact CB-CB 3.73Å; V657-A661 HydrophobicContact CG1-CB 3.76Å
658T82.3Confident81.1Confident70 Ų7061.6 Ų61.643%0.42939%0.389SS..  trans-162.3157174.657.50000109.4L653 A654 A660 A661L653-T658 PolarHBondContact O-N 3.4Å; A654-T658 WeakPolarHBondContact CA-O 3.39Å; A654-T658 CarbonylContact O-C 3.45Å; T658-A660 PolarHBondContact O-N 3Å; T658-A660 VanDerWaalsContact O-N 3.09Å; T658-A661 VanDerWaalsContact O-CB 3.32Å; T658-A661 WeakPolarHBondContact O-CB 3.36Å; T658-A661 PolarHBondContact O-N 2.93Å; T658-A661 PolarHBondContact OG1-N 3.47Å
659P81.5Confident80.2Confident110 Ų11062.5 Ų62.571%0.71439%0.39SS*.G310 helixtrans-52.2-33.5172.1-27.835.1000113.7A662P659-A662 VanDerWaalsContact O-CB 3.24Å; P659-A662 WeakPolarHBondContact O-CB 3.28Å; P659-A662 PolarHBondContact O-N 3.32Å
660A82.6Confident79.2Confident66 Ų6661.6 Ų61.655%0.54539%0.387SS..G310 helixtrans-70-31176.700000113.2T658 A662 L663T658-A660 PolarHBondContact O-N 3Å; T658-A660 VanDerWaalsContact O-N 3.09Å; A660-A662 PolarHBondContact O-N 2.98Å; A660-L663 WeakPolarHBondContact O-CB 3.36Å; A660-L663 PolarHBondContact O-N 3.12Å; A660-L663 VanDerWaalsContact O-N 3.11Å
661A84.1Confident77.9Confident8 Ų865 Ų657%0.06640%0.4CS..G310 helixtrans-64.5-21.517700000112.7L653 V657 T658 L663 L664L653-A661 HydrophobicContact CB-CB 4.1Å; L653-A661 WeakPolarHBondContact CD1-O 3.27Å; V657-A661 HydrophobicContact CB-CB 3.73Å; V657-A661 HydrophobicContact CG1-CB 3.76Å; T658-A661 VanDerWaalsContact O-CB 3.32Å; T658-A661 WeakPolarHBondContact O-CB 3.36Å; T658-A661 PolarHBondContact O-N 2.93Å; T658-A661 PolarHBondContact OG1-N 3.47Å; A661-L663 PolarHBondContact O-N 2.92Å; A661-L663 VanDerWaalsContact O-N 3.16Å; A661-L664 HydrophobicContact CB-CD1 4.42Å; A661-L664 VanDerWaalsContact O-CB 3.31Å; A661-L664 WeakPolarHBondContact O-CB 3.39Å; A661-L664 PolarHBondContact O-N 3.08Å
662A80.4Confident76.6Confident20 Ų2065.5 Ų65.517%0.16541%0.41CS..G310 helixtrans-55.1-30.9172.200000112.6A650 A654 P659 A660 L664 A665A650-A662 HydrophobicContact CB-CB 4.3Å; A650-A662 WeakPolarHBondContact O-CB 3.42Å; A654-A662 HydrophobicContact CB-CB 4.04Å; P659-A662 VanDerWaalsContact O-CB 3.24Å; P659-A662 WeakPolarHBondContact O-CB 3.28Å; P659-A662 PolarHBondContact O-N 3.32Å; A660-A662 PolarHBondContact O-N 2.98Å; A662-L664 VanDerWaalsContact C-N 3.26Å; A662-L664 PolarHBondContact O-N 2.7Å; A662-A665 WeakPolarHBondContact O-CB 3.43Å; A662-A665 PolarHBondContact O-N 3.24Å
663L78.5Confident75.4Confident80 Ų8070.2 Ų70.242%0.41943%0.425SS..G310 helixtrans-66-25.9177.6-64.2173.6000112.7A660 A661 A665 L666 I667A660-L663 WeakPolarHBondContact O-CB 3.36Å; A660-L663 PolarHBondContact O-N 3.12Å; A660-L663 VanDerWaalsContact O-N 3.11Å; A661-L663 PolarHBondContact O-N 2.92Å; A661-L663 VanDerWaalsContact O-N 3.16Å; L663-A665 PolarHBondContact O-N 2.73Å; L663-L666 HydrophobicContact CD2-CD1 4.32Å; L663-L666 CarbonylContact O-C 3.58Å; L663-L666 WeakPolarHBondContact O-CA 3.5Å; L663-L666 WeakPolarHBondContact O-CB 3.32Å; L663-L666 PolarHBondContact O-N 3.39Å; L663-I667 WeakPolarHBondContact O-CG1 3.33Å; L663-I667 PolarHBondContact O-N 3.12Å; L663-I667 VanDerWaalsContact O-N 3.1Å
664L78.2Confident74.4Confident114 Ų11472 Ų7260%0.59745%0.447SS*.G310 helixtrans-61.3-31176.5-66.4170.3000111.9L653 A661 A662 L666 I667L653-L664 HydrophobicContact CD1-CB 4.22Å; A661-L664 HydrophobicContact CB-CD1 4.42Å; A661-L664 VanDerWaalsContact O-CB 3.31Å; A661-L664 WeakPolarHBondContact O-CB 3.39Å; A661-L664 PolarHBondContact O-N 3.08Å; A662-L664 VanDerWaalsContact C-N 3.26Å; A662-L664 PolarHBondContact O-N 2.7Å; L664-L666 PolarHBondContact O-N 2.86Å; L664-I667 HydrophobicContact CD2-CD1 4.26Å
665A74.4Confident74Confident17 Ų1774.4 Ų74.414%0.1446%0.455CS..G310 helixtrans-71.4-12.9174.500000113.4V649 A650 L653 A662 L663V649-A665 HydrophobicContact CB-CB 4.34Å; V649-A665 HydrophobicContact CG1-CB 3.97Å; A650-A665 HydrophobicContact CB-CB 3.83Å; L653-A665 HydrophobicContact CD1-CB 4.23Å; A662-A665 WeakPolarHBondContact O-CB 3.43Å; A662-A665 PolarHBondContact O-N 3.24Å; L663-A665 PolarHBondContact O-N 2.73Å
666L71.4Confident73.7Confident50 Ų5070.8 Ų70.826%0.26243%0.43SS..G310 helixtrans-108.7-8.3-178-56.1178.8000113.1T620 L663 L664T620-L666 PolarHBondContact N-O 3.5Å; L663-L666 HydrophobicContact CD2-CD1 4.32Å; L663-L666 CarbonylContact O-C 3.58Å; L663-L666 WeakPolarHBondContact O-CA 3.5Å; L663-L666 WeakPolarHBondContact O-CB 3.32Å; L663-L666 PolarHBondContact O-N 3.39Å; L664-L666 PolarHBondContact O-N 2.86Å
667I68.6Low73.6Confident75 Ų7564.3 Ų64.339%0.38540%0.397SS..  trans-84.5129.5178.2-69.5164000110.2R617 I618 L663 L664R617-I667 WeakPolarHBondContact O-CA 3.49Å; I618-I667 HydrophobicContact CG2-CG1 4.42Å; L663-I667 WeakPolarHBondContact O-CG1 3.33Å; L663-I667 PolarHBondContact O-N 3.12Å; L663-I667 VanDerWaalsContact O-N 3.1Å; L664-I667 HydrophobicContact CD2-CD1 4.26Å
668S65.6Low73.5Confident0 Ų070 Ų700%041%0.408CS..BIsolated β-bridgetrans-110126.3175.1174.70000111I616 R617 R622I616-S668 WeakPolarHBondContact CA-O 3.4Å; R617-S668 PolarHBondContact N-O 2.95Å; R617-S668 PolarHBondContact O-N 2.89Å; R622-S668 PolarHBondContact NE-OG 3.49Å; R622-S668 PolarHBondContact NH1-OG 3.44Å; R622-S668 PolarHBondContact NH2-OG 2.83Å
669P64.8Low73.6Confident82 Ų8269.5 Ų69.553%0.53240%0.404SS..  trans-65.7162.5161.328.6-31.8000110.9
670S61.9Low73.7Confident57 Ų5764.9 Ų64.940%0.39937%0.373SS..  trans-74.2133.9172.4-175.20000110.1K614K614-S670 PolarHBondContact O-OG 3.47Å
671E56.9Low73.7Confident89 Ų8964.2 Ų64.242%0.41636%0.361SS..  trans-116107.1174.6-72.3165.6-148.400108S613 R622S613-E671 PolarHBondContact O-N 2.89Å; R622-E671 IonicContact CZ-OE1 3.08Å; R622-E671 IonicContact NH1-OE1 2.56Å; R622-E671 PolarHBondContact NH1-OE1 2.95Å; R622-E671 IonicContact NH1-OE2 2.66Å
672G55.8Low73.7Confident63 Ų6366.8 Ų66.865%0.64938%0.378SS*.SBendtrans103.4169.5165.200000118.8
673E59.8Low73.7Confident139 Ų13970.3 Ų70.365%0.6539%0.391SS*.  trans-77.8161-178.2-54.7173.1144.600113.3N675 Q676E673-N675 PolarHBondContact O-N 3.38Å; E673-Q676 PolarHBondContact OE2-NE2 3.48Å; E673-Q676 VanDerWaalsContact OE2-NE2 3.17Å
674A66.7Low73.8Confident83 Ų8367.3 Ų67.369%0.68638%0.375SS*.SBendtrans-64.7-29.7-170.100000116.1K614K614-A674 PolarHBondContact NZ-O 2.95Å
675N77.1Confident73.6Confident84 Ų8470.9 Ų70.945%0.44939%0.386SS..  trans-147.9115-179.3-174.2-30.8000111.6E673 C677E673-N675 PolarHBondContact O-N 3.38Å; N675-C677 WeakPolarHBondContact OD1-CB 3.29Å; N675-C677 PolarHBondContact OD1-N 2.91Å; N675-C677 PolarHBondContact OD1-SG 3.38Å
676Q81.5Confident73.1Confident39 Ų3980.2 Ų80.218%0.18242%0.423CS..  trans-100.70.3-178.2-68.5-62.5-28.100113.2D586 E673 R678 T679 I680D586-Q676 PolarHBondContact OD2-N 3.01Å; E673-Q676 PolarHBondContact OE2-NE2 3.48Å; E673-Q676 VanDerWaalsContact OE2-NE2 3.17Å; Q676-R678 VanDerWaalsContact C-N 3.28Å; Q676-R678 PolarHBondContact O-N 3.26Å; Q676-T679 WeakPolarHBondContact O-CA 3.48Å; Q676-T679 VanDerWaalsContact O-CB 3.3Å; Q676-T679 WeakPolarHBondContact O-CB 3.34Å; Q676-T679 PolarHBondContact O-N 2.85Å; Q676-T679 PolarHBondContact OE1-OG1 2.94Å; Q676-I680 HydrophobicContact CB-CD1 4.27Å; Q676-I680 WeakPolarHBondContact O-CG1 3.45Å; Q676-I680 PolarHBondContact O-N 3.45Å
677C85.4Confident73.1Confident9 Ų981.7 Ų81.76%0.06143%0.431CS..Hα-helixtrans-58.4-37.4-174.3-67.20000113.5N565 C566 N675 T679 I680 L681N565-C677 VanDerWaalsContact CB-SG 3.59Å; N565-C677 PolarHBondContact O-SG 3.43Å; C566-C677 HydrophobicContact CB-CB 3.83Å; C566-C677 WeakPolarHBondContact CB-SG 3.29Å; C566-C677 PolarHBondContact N-SG 3.32Å; C566-C677 VanDerWaalsContact N-SG 3.37Å; C566-C677 WeakPolarHBondContact SG-CA 3.48Å; C566-C677 WeakPolarHBondContact SG-CB 3.28Å; C566-C677 CovalentContact SG-SG 2.03Å; C566-C677 PolarHBondContact SG-SG 2.92Å; N675-C677 WeakPolarHBondContact OD1-CB 3.29Å; N675-C677 PolarHBondContact OD1-N 2.91Å; N675-C677 PolarHBondContact OD1-SG 3.38Å; C677-T679 VanDerWaalsContact C-N 3.32Å; C677-T679 PolarHBondContact O-N 2.9Å; C677-I680 PolarHBondContact O-N 2.97Å; C677-L681 VanDerWaalsContact O-CB 3.24Å; C677-L681 WeakPolarHBondContact O-CB 3.43Å; C677-L681 WeakPolarHBondContact O-CG 3.07Å; C677-L681 PolarHBondContact O-N 3.38Å
678R85.4Confident73.4Confident216 Ų21682.1 Ų82.182%0.81543%0.434SS*.Hα-helixtrans-61.8-42175.3-172.117666163-0.3111.7Q676 S682Q676-R678 VanDerWaalsContact C-N 3.28Å; Q676-R678 PolarHBondContact O-N 3.26Å; R678-S682 WeakPolarHBondContact O-CB 3.4Å; R678-S682 PolarHBondContact O-N 3.42Å; R678-S682 PolarHBondContact O-OG 2.97Å
679T85.2Confident73.8Confident58 Ų5886.6 Ų86.636%0.35646%0.458SS..Hα-helixtrans-63.5-51.4177.1-51.70000110.1Q676 C677 L681 S682 Q683Q676-T679 WeakPolarHBondContact O-CA 3.48Å; Q676-T679 VanDerWaalsContact O-CB 3.3Å; Q676-T679 WeakPolarHBondContact O-CB 3.34Å; Q676-T679 PolarHBondContact O-N 2.85Å; Q676-T679 PolarHBondContact OE1-OG1 2.94Å; C677-T679 VanDerWaalsContact C-N 3.32Å; C677-T679 PolarHBondContact O-N 2.9Å; T679-L681 PolarHBondContact O-N 3.49Å; T679-S682 PolarHBondContact O-N 3.08Å; T679-S682 PolarHBondContact O-OG 3.49Å; T679-Q683 WeakPolarHBondContact O-CG 3.43Å; T679-Q683 PolarHBondContact O-N 3.06Å
680I84.1Confident74.3Confident13 Ų1386.9 Ų86.97%0.06745%0.453CS..Hα-helixtrans-57-51.8179-66.8170000111.2A568 I582 A584 L591 Q676 C677 S682 Q683 M684A568-I680 HydrophobicContact CB-CG2 3.39Å; I582-I680 HydrophobicContact CG2-CG2 4.03Å; A584-I680 HydrophobicContact CB-CD1 4.13Å; L591-I680 HydrophobicContact CD1-CD1 4.25Å; Q676-I680 HydrophobicContact CB-CD1 4.27Å; Q676-I680 WeakPolarHBondContact O-CG1 3.45Å; Q676-I680 PolarHBondContact O-N 3.45Å; C677-I680 PolarHBondContact O-N 2.97Å; I680-S682 VanDerWaalsContact C-N 3.31Å; I680-S682 PolarHBondContact O-N 3.38Å; I680-Q683 PolarHBondContact O-N 3.5Å; I680-Q683 VanDerWaalsContact O-N 3.15Å; I680-M684 PolarHBondContact O-N 3.3Å
681L82.8Confident75.1Confident53 Ų5388.8 Ų88.828%0.27746%0.457SS..Hα-helixtrans-62.2-36.4179.6-73.8173.3000112.9L530 C677 T679 Q683 M684 K685L530-L681 HydrophobicContact CD1-CD2 3.4Å; L530-L681 HydrophobicContact CD2-CD2 3.74Å; L530-L681 HydrophobicContact CG-CD2 4.22Å; C677-L681 VanDerWaalsContact O-CB 3.24Å; C677-L681 WeakPolarHBondContact O-CB 3.43Å; C677-L681 WeakPolarHBondContact O-CG 3.07Å; C677-L681 PolarHBondContact O-N 3.38Å; T679-L681 PolarHBondContact O-N 3.49Å; L681-Q683 VanDerWaalsContact C-N 3.27Å; L681-Q683 PolarHBondContact O-N 3.48Å; L681-M684 HydrophobicContact CD2-SD 4.31Å; L681-M684 PolarHBondContact O-N 3.25Å; L681-K685 PolarHBondContact O-N 3.36Å
682S83.1Confident76.3Confident61 Ų6188.7 Ų88.743%0.42746%0.459SS..Hα-helixtrans-65.1-33.1177.477.20000112.5R678 T679 I680R678-S682 WeakPolarHBondContact O-CB 3.4Å; R678-S682 PolarHBondContact O-N 3.42Å; R678-S682 PolarHBondContact O-OG 2.97Å; T679-S682 PolarHBondContact O-N 3.08Å; T679-S682 PolarHBondContact O-OG 3.49Å; I680-S682 VanDerWaalsContact C-N 3.31Å; I680-S682 PolarHBondContact O-N 3.38Å
683Q81.6Confident77.8Confident94 Ų9490.6 Ų90.644%0.43945%0.446SS..Hα-helixtrans-76.1-30.5177-64.2173.9-3.900111.8I582 T679 I680 L681 K685 K686I582-Q683 HydrophobicContact CD1-CB 3.39Å; T679-Q683 WeakPolarHBondContact O-CG 3.43Å; T679-Q683 PolarHBondContact O-N 3.06Å; I680-Q683 PolarHBondContact O-N 3.5Å; I680-Q683 VanDerWaalsContact O-N 3.15Å; L681-Q683 VanDerWaalsContact C-N 3.27Å; L681-Q683 PolarHBondContact O-N 3.48Å; Q683-K685 VanDerWaalsContact C-N 3.28Å; Q683-K685 PolarHBondContact O-N 3.44Å; Q683-K686 PolarHBondContact O-N 2.85Å
684M78.7Confident79.2Confident18 Ų1886.8 Ų86.89%0.08943%0.43CS..Hα-helixtrans-69-22.6175.2-67.9-175.37700114.4K528 L530 A568 I582 I680 L681K528-M684 HydrophobicContact CB-CE 4.2Å; K528-M684 PolarHBondContact NZ-O 3.15Å; L530-M684 HydrophobicContact CB-CE 4.48Å; L530-M684 HydrophobicContact CD1-SD 4.36Å; A568-M684 HydrophobicContact CB-CE 4.47Å; A568-M684 HydrophobicContact CB-SD 3.52Å; A568-M684 VanDerWaalsContact CB-SD 3.52Å; I582-M684 HydrophobicContact CD1-CG 4.05Å; I680-M684 PolarHBondContact O-N 3.3Å; L681-M684 HydrophobicContact CD2-SD 4.31Å; L681-M684 PolarHBondContact O-N 3.25Å
685K75.1Confident80.2Confident189 Ų18987.2 Ų87.282%0.82241%0.409SS*.THydrogen-bonded Turntrans-77.5-21.8176.5-73.8-174.1179.2-1760113.1L681 Q683L681-K685 PolarHBondContact O-N 3.36Å; Q683-K685 VanDerWaalsContact C-N 3.28Å; Q683-K685 PolarHBondContact O-N 3.44Å
686K62.9Low80.5Confident212 Ų21287.5 Ų87.592%0.92241%0.405SS*.  trans-76.40170.1-61.7-178.1-179.6-178.90109.3Q683Q683-K686 PolarHBondContact O-N 2.85Å

Retrieved 686 of 686 residues in 872.6 ms (Link to these results)

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