A0A087XFS3_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XFS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1M56.3Low68.5Low221 Ų221144.2 Ų144.2100%1.08967%0.673SS**  0-20.90-86.1-178.3-89.600116
2R56.3Low69.5Low218 Ų218139.3 Ų139.382%0.82366%0.66SS**Hα-helixtrans-75.7-31.2-179.1-79.9-179.4173.9175.9-2.3116F4 V5 Y6R2-F4 PolarHBondContact O-N 2.75Å; R2-V5 PolarHBondContact O-N 2.74Å; R2-Y6 WeakPolarHBondContact O-CD2 3.44Å; R2-Y6 PolarHBondContact O-N 3.45Å
3R55Low70.7Confident229 Ų229133.7 Ų133.786%0.86464%0.641SS**Hα-helixtrans-68.8-30.3-179.3-75.6-176.4175.9175.2-1.6114.5C7R3-C7 PolarHBondContact O-N 3.05Å
4F58Low71.6Confident164 Ų164128.5 Ų128.572%0.71963%0.626SS**Hα-helixtrans-73-29.6177.8-108.9-85.7000113R2 K8R2-F4 PolarHBondContact O-N 2.75Å; F4-K8 WeakPolarHBondContact O-CG 3.32Å; F4-K8 PolarHBondContact O-N 2.95Å
5V67.6Low72.6Confident89 Ų89127.3 Ų127.354%0.53962%0.622SS.*Hα-helixtrans-70.1-44176.4179.60000110.2R2 C7 K8 V9R2-V5 PolarHBondContact O-N 2.74Å; V5-C7 VanDerWaalsContact C-N 3.34Å; V5-C7 PolarHBondContact O-N 3.47Å; V5-K8 PolarHBondContact O-N 2.62Å; V5-V9 HydrophobicContact CG1-CG2 4.35Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.2Å; V5-V9 PolarHBondContact O-N 2.96Å
6Y71.4Confident73.6Confident173 Ų173124.5 Ų124.568%0.67862%0.615SS**Hα-helixtrans-59.9-43.3174.8-84.3-80.8000112.3R2 K8 V9 V10R2-Y6 WeakPolarHBondContact O-CD2 3.44Å; R2-Y6 PolarHBondContact O-N 3.45Å; Y6-K8 PolarHBondContact O-N 3.29Å; Y6-V9 PolarHBondContact O-N 3.1Å; Y6-V10 WeakPolarHBondContact O-CB 3.28Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.42Å; Y6-V10 PolarHBondContact O-N 3.16Å
7C72.1Confident74.3Confident73 Ų73127.2 Ų127.249%0.49362%0.617SS.*Hα-helixtrans-65.2-39.7178.3-144.80000111.8R3 V5 L11R3-C7 PolarHBondContact O-N 3.05Å; V5-C7 VanDerWaalsContact C-N 3.34Å; V5-C7 PolarHBondContact O-N 3.47Å; C7-L11 VanDerWaalsContact O-CB 3.31Å; C7-L11 WeakPolarHBondContact O-CB 3.41Å; C7-L11 WeakPolarHBondContact O-CD1 3.41Å; C7-L11 VanDerWaalsContact O-CG 3.29Å; C7-L11 WeakPolarHBondContact O-CG 3.4Å; C7-L11 PolarHBondContact O-N 3.4Å
8K74Confident75.1Confident146 Ų146124.7 Ų124.764%0.63561%0.61SS**Hα-helixtrans-64.1-42.1173.9-81.3-173174.7-1740112.5F4 V5 Y6 T12F4-K8 WeakPolarHBondContact O-CG 3.32Å; F4-K8 PolarHBondContact O-N 2.95Å; V5-K8 PolarHBondContact O-N 2.62Å; Y6-K8 PolarHBondContact O-N 3.29Å; K8-T12 WeakPolarHBondContact O-CB 3.39Å; K8-T12 PolarHBondContact O-N 2.98Å; K8-T12 PolarHBondContact O-OG1 2.94Å
9V80.3Confident75.6Confident75 Ų75123.8 Ų123.846%0.45561%0.608SS.*Hα-helixtrans-65.4-46.6178172.10000110.5V5 Y6 L11 T12 T13V5-V9 HydrophobicContact CG1-CG2 4.35Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.2Å; V5-V9 PolarHBondContact O-N 2.96Å; Y6-V9 PolarHBondContact O-N 3.1Å; V9-L11 PolarHBondContact O-N 2.84Å; V9-T12 WeakPolarHBondContact CA-OG1 3.48Å; V9-T12 PolarHBondContact O-N 3.12Å; V9-T12 PolarHBondContact O-OG1 3.3Å; V9-T12 VanDerWaalsContact O-OG1 3.12Å; V9-T13 HydrophobicContact CG1-CG2 4.37Å; V9-T13 WeakPolarHBondContact O-CB 3.37Å; V9-T13 WeakPolarHBondContact O-CG2 3.26Å; V9-T13 PolarHBondContact O-N 2.91Å; V9-T13 PolarHBondContact O-OG1 2.85Å
10V80.8Confident76.1Confident83 Ų83120.6 Ų120.650%0.50360%0.595SS.*Hα-helixtrans-60-48.6176.8172.90000110.4Y6 T12 T13 S14Y6-V10 WeakPolarHBondContact O-CB 3.28Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.42Å; Y6-V10 PolarHBondContact O-N 3.16Å; V10-T12 PolarHBondContact O-N 3.05Å; V10-T13 WeakPolarHBondContact CA-OG1 3.34Å; V10-T13 PolarHBondContact O-N 3.21Å; V10-T13 PolarHBondContact O-OG1 2.72Å; V10-S14 WeakPolarHBondContact O-CB 3.28Å; V10-S14 PolarHBondContact O-N 3.46Å; V10-S14 PolarHBondContact O-OG 3.48Å; V10-S14 VanDerWaalsContact O-OG 3.08Å
11L81.6Confident76.3Confident115 Ų115118.8 Ų118.860%0.60259%0.588SS**Hα-helixtrans-62-40.4178-76.4166.4000112.9C7 V9 L15C7-L11 VanDerWaalsContact O-CB 3.31Å; C7-L11 WeakPolarHBondContact O-CB 3.41Å; C7-L11 WeakPolarHBondContact O-CD1 3.41Å; C7-L11 VanDerWaalsContact O-CG 3.29Å; C7-L11 WeakPolarHBondContact O-CG 3.4Å; C7-L11 PolarHBondContact O-N 3.4Å; V9-L11 PolarHBondContact O-N 2.84Å; L11-L15 VanDerWaalsContact O-CB 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.32Å
12T80.9Confident77.6Confident85 Ų85111.6 Ų111.652%0.52156%0.556SS.*Hα-helixtrans-68.7-41.6176.5290000111.7K8 V9 V10 L15 V16K8-T12 WeakPolarHBondContact O-CB 3.39Å; K8-T12 PolarHBondContact O-N 2.98Å; K8-T12 PolarHBondContact O-OG1 2.94Å; V9-T12 WeakPolarHBondContact CA-OG1 3.48Å; V9-T12 PolarHBondContact O-N 3.12Å; V9-T12 PolarHBondContact O-OG1 3.3Å; V9-T12 VanDerWaalsContact O-OG1 3.12Å; V10-T12 PolarHBondContact O-N 3.05Å; T12-L15 PolarHBondContact O-N 2.94Å; T12-V16 VanDerWaalsContact O-CG2 3.29Å; T12-V16 WeakPolarHBondContact O-CG2 3.39Å; T12-V16 PolarHBondContact O-N 3.38Å
13T84.6Confident78.7Confident67 Ų67107.7 Ų107.741%0.41155%0.545SS..Hα-helixtrans-65-41.9175.952.80000112V9 V10 L15 V16 W17V9-T13 HydrophobicContact CG1-CG2 4.37Å; V9-T13 WeakPolarHBondContact O-CB 3.37Å; V9-T13 WeakPolarHBondContact O-CG2 3.26Å; V9-T13 PolarHBondContact O-N 2.91Å; V9-T13 PolarHBondContact O-OG1 2.85Å; V10-T13 WeakPolarHBondContact CA-OG1 3.34Å; V10-T13 PolarHBondContact O-N 3.21Å; V10-T13 PolarHBondContact O-OG1 2.72Å; T13-L15 VanDerWaalsContact C-N 3.34Å; T13-L15 PolarHBondContact O-N 2.6Å; T13-V16 PolarHBondContact O-N 3.08Å; T13-W17 PolarHBondContact O-N 2.88Å
14S83.8Confident79.5Confident61 Ų61100.4 Ų100.443%0.42752%0.523SS..Hα-helixtrans-62.7-40.4174.5-650000111.8V10 W17 V18V10-S14 WeakPolarHBondContact O-CB 3.28Å; V10-S14 PolarHBondContact O-N 3.46Å; V10-S14 PolarHBondContact O-OG 3.48Å; V10-S14 VanDerWaalsContact O-OG 3.08Å; S14-W17 PolarHBondContact O-N 2.93Å; S14-V18 VanDerWaalsContact O-CG2 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.43Å
15L85.9Confident80.2Confident110 Ų11098.4 Ų98.458%0.57652%0.52SS*.Hα-helixtrans-65.3-39.9177-159.385.8000111.7L11 T12 T13 V18 L19L11-L15 VanDerWaalsContact O-CB 3.32Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.32Å; T12-L15 PolarHBondContact O-N 2.94Å; T13-L15 VanDerWaalsContact C-N 3.34Å; T13-L15 PolarHBondContact O-N 2.6Å; L15-V18 PolarHBondContact O-N 3.28Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.22Å; L15-L19 PolarHBondContact O-N 3.39Å
16V88.6Confident80.4Confident83 Ų8398.8 Ų98.850%0.50352%0.518SS..Hα-helixtrans-63.3-45175.51700000110.8T12 T13 V18 L19 V20T12-V16 VanDerWaalsContact O-CG2 3.29Å; T12-V16 WeakPolarHBondContact O-CG2 3.39Å; T12-V16 PolarHBondContact O-N 3.38Å; T13-V16 PolarHBondContact O-N 3.08Å; V16-V18 PolarHBondContact O-N 2.8Å; V16-L19 PolarHBondContact O-N 2.96Å; V16-V20 HydrophobicContact CG1-CG2 4.45Å; V16-V20 VanDerWaalsContact O-CG2 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.37Å
17W85.3Confident80.2Confident170 Ų17097.2 Ų97.264%0.64451%0.512SS*.Hα-helixtrans-63.9-39.9176.6-78.7111.1000112.5T13 S14 L19 V20 D21T13-W17 PolarHBondContact O-N 2.88Å; S14-W17 PolarHBondContact O-N 2.93Å; W17-L19 VanDerWaalsContact C-N 3.33Å; W17-L19 PolarHBondContact O-N 3.38Å; W17-V20 PolarHBondContact O-N 3.2Å; W17-D21 WeakPolarHBondContact O-CB 3.34Å; W17-D21 PolarHBondContact O-N 3.06Å
18V88.9Confident79.5Confident83 Ų8399.8 Ų99.850%0.50352%0.515SS..Hα-helixtrans-63-40173.7169.80000111.5S14 L15 V16 D21 V22S14-V18 VanDerWaalsContact O-CG2 3.29Å; S14-V18 WeakPolarHBondContact O-CG2 3.45Å; S14-V18 PolarHBondContact O-N 3.43Å; L15-V18 PolarHBondContact O-N 3.28Å; V16-V18 PolarHBondContact O-N 2.8Å; V18-D21 PolarHBondContact O-N 3.29Å; V18-V22 HydrophobicContact CG1-CG2 4.41Å; V18-V22 WeakPolarHBondContact O-CB 3.38Å; V18-V22 VanDerWaalsContact O-CG2 3.22Å; V18-V22 WeakPolarHBondContact O-CG2 3.27Å; V18-V22 PolarHBondContact O-N 2.88Å
19L85.1Confident78.7Confident108 Ų10896 Ų9657%0.56551%0.507SS*.Hα-helixtrans-68.7-35.9176.5-71.8171.2000112.3L15 V16 W17 F23L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.22Å; L15-L19 PolarHBondContact O-N 3.39Å; V16-L19 PolarHBondContact O-N 2.96Å; W17-L19 VanDerWaalsContact C-N 3.33Å; W17-L19 PolarHBondContact O-N 3.38Å; L19-F23 VanDerWaalsContact O-CB 3.26Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 PolarHBondContact O-N 3.21Å
20V84.6Confident77.1Confident58 Ų5899.2 Ų99.235%0.35252%0.517SS..Hα-helixtrans-65.7-43.8172.9169.70000110.6V16 W17 F23 L24V16-V20 HydrophobicContact CG1-CG2 4.45Å; V16-V20 VanDerWaalsContact O-CG2 3.32Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.37Å; W17-V20 PolarHBondContact O-N 3.2Å; V20-F23 PolarHBondContact O-N 2.8Å; V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 HydrophobicContact CG1-CG 4.41Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.48Å; V20-L24 PolarHBondContact O-N 3.11Å
21D80.2Confident75.4Confident84 Ų8498.5 Ų98.545%0.44952%0.515SS..Hα-helixtrans-65.9-40.7176.9-73.2-20000111.6W17 V18 L24 L25W17-D21 WeakPolarHBondContact O-CB 3.34Å; W17-D21 PolarHBondContact O-N 3.06Å; V18-D21 PolarHBondContact O-N 3.29Å; D21-L24 PolarHBondContact O-N 3.35Å; D21-L25 VanDerWaalsContact O-CB 3.27Å; D21-L25 WeakPolarHBondContact O-CB 3.3Å; D21-L25 WeakPolarHBondContact O-CG 3.27Å; D21-L25 PolarHBondContact O-N 3.28Å
22V83.8Confident73.4Confident69 Ų6999.4 Ų99.442%0.41852%0.521SS..Hα-helixtrans-64.9-40173.2170.10000110.8V18 L25 L26V18-V22 HydrophobicContact CG1-CG2 4.41Å; V18-V22 WeakPolarHBondContact O-CB 3.38Å; V18-V22 VanDerWaalsContact O-CG2 3.22Å; V18-V22 WeakPolarHBondContact O-CG2 3.27Å; V18-V22 PolarHBondContact O-N 2.88Å; V22-L25 PolarHBondContact O-N 3.12Å; V22-L26 HydrophobicContact CG1-CD1 3.89Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.23Å; V22-L26 WeakPolarHBondContact O-CG 3.14Å; V22-L26 PolarHBondContact O-N 2.96Å
23F79.4Confident71.3Confident136 Ų136104 Ų10460%0.59653%0.533SS*.Hα-helixtrans-66.4-41.7175.7-176.6-94.7000111.8L19 V20 L26 Y27L19-F23 VanDerWaalsContact O-CB 3.26Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 PolarHBondContact O-N 3.21Å; V20-F23 PolarHBondContact O-N 2.8Å; F23-L26 PolarHBondContact O-N 3.37Å; F23-Y27 WeakPolarHBondContact O-CB 3.21Å; F23-Y27 PolarHBondContact O-N 3.37Å
24L73.4Confident69Low76 Ų76105.4 Ų105.440%0.39854%0.544SS..Hα-helixtrans-64.1-43.5173.7-74.6169.9000110.8V20 D21 L26 Y27 F28V20-L24 HydrophobicContact CG1-CD1 3.96Å; V20-L24 HydrophobicContact CG1-CG 4.41Å; V20-L24 WeakPolarHBondContact O-CB 3.31Å; V20-L24 WeakPolarHBondContact O-CG 3.48Å; V20-L24 PolarHBondContact O-N 3.11Å; D21-L24 PolarHBondContact O-N 3.35Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 3.06Å; L24-Y27 PolarHBondContact O-N 3.44Å; L24-F28 HydrophobicContact CD2-CE2 4.16Å; L24-F28 WeakPolarHBondContact O-CB 3.4Å; L24-F28 VanDerWaalsContact O-CD2 3.22Å; L24-F28 WeakPolarHBondContact O-CD2 3.27Å; L24-F28 PolarHBondContact O-N 3.46Å
25L72.2Confident66.8Low123 Ų123109.3 Ų109.364%0.64456%0.561SS**Hα-helixtrans-64-38.3175.3-76.2169.1000111.8D21 V22 S29D21-L25 VanDerWaalsContact O-CB 3.27Å; D21-L25 WeakPolarHBondContact O-CB 3.3Å; D21-L25 WeakPolarHBondContact O-CG 3.27Å; D21-L25 PolarHBondContact O-N 3.28Å; V22-L25 PolarHBondContact O-N 3.12Å; L25-S29 WeakPolarHBondContact O-CA 3.46Å; L25-S29 WeakPolarHBondContact O-CB 3.01Å; L25-S29 PolarHBondContact O-N 2.85Å
26L71.3Confident64.3Low97 Ų97112.8 Ų112.851%0.50857%0.574SS.*Hα-helixtrans-70.2-41.4174.3-72.9171.5000111.6V22 F23 L24 S29 E30V22-L26 HydrophobicContact CG1-CD1 3.89Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.23Å; V22-L26 WeakPolarHBondContact O-CG 3.14Å; V22-L26 PolarHBondContact O-N 2.96Å; F23-L26 PolarHBondContact O-N 3.37Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 3.06Å; L26-S29 PolarHBondContact O-N 2.04Å; L26-E30 WeakPolarHBondContact O-CB 3.29Å; L26-E30 WeakPolarHBondContact O-CG 3.46Å; L26-E30 PolarHBondContact O-N 3.2Å
27Y67.1Low61.6Low140 Ų140119.9 Ų119.955%0.54959%0.592SS.*Hα-helixtrans-63.9-42.4176.6-172.9-97.5000111.8F23 L24 C31F23-Y27 WeakPolarHBondContact O-CB 3.21Å; F23-Y27 PolarHBondContact O-N 3.37Å; L24-Y27 PolarHBondContact O-N 3.44Å; Y27-C31 PolarHBondContact O-N 3.41Å; Y27-C31 VanDerWaalsContact O-N 3.07Å
28F58.6Low59.2Low126 Ų126120.5 Ų120.555%0.55360%0.599SS**Hα-helixtrans-80.1-25.4175.4-77.2-72.5000113.3L24 C31 N32L24-F28 HydrophobicContact CD2-CE2 4.16Å; L24-F28 WeakPolarHBondContact O-CB 3.4Å; L24-F28 VanDerWaalsContact O-CD2 3.22Å; L24-F28 WeakPolarHBondContact O-CD2 3.27Å; L24-F28 PolarHBondContact O-N 3.46Å; F28-C31 PolarHBondContact O-N 3.37Å; F28-N32 PolarHBondContact O-N 2.69Å
29S55.6Low56.5Low68 Ų68124 Ų12448%0.47662%0.615SS.*Hα-helixtrans-72.1-37.6170.81750000111.7L25 L26 C31 N32 K33L25-S29 WeakPolarHBondContact O-CA 3.46Å; L25-S29 WeakPolarHBondContact O-CB 3.01Å; L25-S29 PolarHBondContact O-N 2.85Å; L26-S29 PolarHBondContact O-N 2.04Å; S29-C31 VanDerWaalsContact C-N 3.32Å; S29-N32 PolarHBondContact O-N 3.29Å; S29-K33 PolarHBondContact O-N 2.86Å
30E46.8Very low54.2Low142 Ų142129 Ų12966%0.66463%0.626SS**Hα-helixtrans-69.3-30.2169.8-74.6-174.1168.600111.7L26 K33L26-E30 WeakPolarHBondContact O-CB 3.29Å; L26-E30 WeakPolarHBondContact O-CG 3.46Å; L26-E30 PolarHBondContact O-N 3.2Å; E30-K33 PolarHBondContact O-N 2.76Å
31C44.9Very low51.8Low68 Ų68129.1 Ų129.146%0.45963%0.63SS.*Hα-helixtrans-69.6-32168.3-111.80000113.3Y27 F28 S29 K33 C34Y27-C31 PolarHBondContact O-N 3.41Å; Y27-C31 VanDerWaalsContact O-N 3.07Å; F28-C31 PolarHBondContact O-N 3.37Å; S29-C31 VanDerWaalsContact C-N 3.32Å; C31-K33 PolarHBondContact O-N 3.2Å; C31-C34 WeakPolarHBondContact O-CB 3.47Å; C31-C34 PolarHBondContact O-N 3.37Å
32N39.8Very low50.1Low134 Ų134130.8 Ų130.872%0.71764%0.638SS**THydrogen-bonded Turntrans-73.2-7.6174.7-91.4-4.4000114.1F28 S29F28-N32 PolarHBondContact O-N 2.69Å; S29-N32 PolarHBondContact O-N 3.29Å
33K36.4Very low48Very low182 Ų182133.8 Ų133.879%0.79165%0.651SS**THydrogen-bonded Turntrans-96.53.8167-84-175.9176.2176.10113.8S29 E30 C31S29-K33 PolarHBondContact O-N 2.86Å; E30-K33 PolarHBondContact O-N 2.76Å; C31-K33 PolarHBondContact O-N 3.2Å
34C38.2Very low46Very low95 Ų95130.8 Ų130.864%0.64265%0.645SS**SBendtrans-88-5.4169.6-72.70000113.7C31C31-C34 WeakPolarHBondContact O-CB 3.47Å; C31-C34 PolarHBondContact O-N 3.37Å
35D35.8Very low44.6Very low144 Ų144129.8 Ų129.877%0.7765%0.648SS**THydrogen-bonded Turntrans-92.110.6-179-1385.3000114.3
36E34.8Very low43.2Very low183 Ų183126.2 Ų126.286%0.85563%0.629SS**THydrogen-bonded Turntrans-116.115.5173.1-76.6-161.7159.600114.1K38E36-K38 PolarHBondContact O-N 3.2Å
37R31.7Very low41.7Very low231 Ų231131.6 Ų131.687%0.87264%0.643SS**SBendtrans-99.877.1164.7-87.6-172.2177.5-177.31.6110.4D39R37-D39 PolarHBondContact O-N 2.82Å
38K35Very low40.6Very low184 Ų184128.1 Ų128.180%0.864%0.642SS**  trans27.480.2155.2-80.2176.5174.71690112.6E36 R40E36-K38 PolarHBondContact O-N 3.2Å; K38-R40 PolarHBondContact O-N 2.74Å
39D31.8Very low40.1Very low155 Ų155123.4 Ų123.483%0.82962%0.624SS**  trans-56.881.7135.5-107.8-22.2000106.6R37 S41R37-D39 PolarHBondContact O-N 2.82Å; D39-S41 PolarHBondContact O-N 3.01Å
40R36.4Very low39.6Very low215 Ų215124.9 Ų124.981%0.81163%0.626SS**  trans-66.179.6155.3-121.6-177.3168178.3-4.7103.5K38 L42K38-R40 PolarHBondContact O-N 2.74Å; R40-L42 PolarHBondContact O-N 3.03Å
41S35.6Very low39.3Very low60 Ų60120.9 Ų120.942%0.4261%0.613SS.*  trans-43.5115.7174.153.60000107.1D39 L43 P44D39-S41 PolarHBondContact O-N 3.01Å; S41-L43 PolarHBondContact O-N 3.29Å; S41-P44 VanDerWaalsContact CB-CD 3.41Å; S41-P44 VanDerWaalsContact O-CD 3.28Å; S41-P44 WeakPolarHBondContact O-CD 3.45Å; S41-P44 WeakPolarHBondContact OG-CD 3.29Å; S41-P44 WeakPolarHBondContact OG-CG 3.46Å
42L43.1Very low39.3Very low119 Ų119129.1 Ų129.162%0.62364%0.635SS**Hα-helixtrans-68.8-8.7167.5-95.9147.3000110.2R40 L46R40-L42 PolarHBondContact O-N 3.03Å; L42-L46 HydrophobicContact CB-CD1 4.39Å; L42-L46 VanDerWaalsContact O-CB 3.22Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 WeakPolarHBondContact O-CD1 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.46Å; L42-L46 PolarHBondContact O-N 3.23Å
43L41.2Very low39.6Very low131 Ų131125.5 Ų125.569%0.68662%0.62SS**Hα-helixtrans-71.9-43.4-177.1-78.9154.9000114.1S41 R47S41-L43 PolarHBondContact O-N 3.29Å; L43-R47 WeakPolarHBondContact O-CB 3.47Å; L43-R47 PolarHBondContact O-N 3.22Å
44P36.5Very low40.8Very low74 Ų74124.7 Ų124.748%0.48162%0.619SS.*Hα-helixtrans-68.4-34.1170-21.733.3000112.9S41 R47 A48S41-P44 VanDerWaalsContact CB-CD 3.41Å; S41-P44 VanDerWaalsContact O-CD 3.28Å; S41-P44 WeakPolarHBondContact O-CD 3.45Å; S41-P44 WeakPolarHBondContact OG-CD 3.29Å; S41-P44 WeakPolarHBondContact OG-CG 3.46Å; P44-R47 PolarHBondContact O-N 3.43Å; P44-A48 VanDerWaalsContact O-CB 3.25Å; P44-A48 WeakPolarHBondContact O-CB 3.45Å; P44-A48 PolarHBondContact O-N 3.32Å
45A44.2Very low42.7Very low55 Ų55127.9 Ų127.946%0.45562%0.624SS.*Hα-helixtrans-66.4-43173.800000111.2R47 A48 V49A45-R47 VanDerWaalsContact C-N 3.35Å; A45-R47 PolarHBondContact O-N 2.87Å; A45-A48 PolarHBondContact O-N 3.47Å; A45-V49 WeakPolarHBondContact O-CB 3.3Å; A45-V49 WeakPolarHBondContact O-CG2 3.41Å; A45-V49 PolarHBondContact O-N 2.76Å; A45-V49 VanDerWaalsContact O-N 3.13Å
46L42.1Very low45.3Very low48 Ų48123.3 Ų123.325%0.25161%0.611SS.*Hα-helixtrans-65.5-33.1172.8-85.3156.3000113L42L42-L46 HydrophobicContact CB-CD1 4.39Å; L42-L46 VanDerWaalsContact O-CB 3.22Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 WeakPolarHBondContact O-CD1 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.46Å; L42-L46 PolarHBondContact O-N 3.23Å
47R40.5Very low48.1Very low210 Ų210117.9 Ų117.979%0.79259%0.592SS**Hα-helixtrans-75.2-37.1173.5-98-178.2169.6171.1-2.3113.1L43 P44 A45 V49 I50L43-R47 WeakPolarHBondContact O-CB 3.47Å; L43-R47 PolarHBondContact O-N 3.22Å; P44-R47 PolarHBondContact O-N 3.43Å; A45-R47 VanDerWaalsContact C-N 3.35Å; A45-R47 PolarHBondContact O-N 2.87Å; R47-V49 PolarHBondContact O-N 3.16Å; R47-I50 PolarHBondContact O-N 3.38Å
48A43.5Very low51.2Low66 Ų66107 Ų10755%0.54555%0.552SS.*Hα-helixtrans-64.7-31.1175.600000111.8P44 A45 I50 S51P44-A48 VanDerWaalsContact O-CB 3.25Å; P44-A48 WeakPolarHBondContact O-CB 3.45Å; P44-A48 PolarHBondContact O-N 3.32Å; A45-A48 PolarHBondContact O-N 3.47Å; A48-I50 PolarHBondContact O-N 2.9Å; A48-S51 WeakPolarHBondContact O-CB 3.36Å; A48-S51 PolarHBondContact O-N 2.89Å
49V47.5Very low54.1Low28 Ų2899.5 Ų99.517%0.1752%0.52CS..THydrogen-bonded Turntrans-71.4-11.8176.2167.90000113.6A45 R47 L93 N94A45-V49 WeakPolarHBondContact O-CB 3.3Å; A45-V49 WeakPolarHBondContact O-CG2 3.41Å; A45-V49 PolarHBondContact O-N 2.76Å; A45-V49 VanDerWaalsContact O-N 3.13Å; R47-V49 PolarHBondContact O-N 3.16Å; V49-L93 HydrophobicContact CG1-CB 4.05Å; V49-L93 HydrophobicContact CG1-CD1 3.82Å; V49-L93 HydrophobicContact CG1-CG 3.45Å; V49-L93 VanDerWaalsContact CG1-CG 3.45Å; V49-N94 PolarHBondContact O-OD1 3.46Å
50I45.7Very low57.2Low99 Ų9996.6 Ų96.651%0.50850%0.502SS..THydrogen-bonded Turntrans-109.812.6176.8-56172.9000110.8R47 A48 R52R47-I50 PolarHBondContact O-N 3.38Å; A48-I50 PolarHBondContact O-N 2.9Å; I50-R52 PolarHBondContact O-N 3.29Å
51S41Very low60.1Low57 Ų5786.6 Ų86.640%0.39947%0.466SS..  trans-75.2123.4178.1177.80000111.6A48 S53A48-S51 WeakPolarHBondContact O-CB 3.36Å; A48-S51 PolarHBondContact O-N 2.89Å; S51-S53 PolarHBondContact O-N 2.69Å; S51-S53 PolarHBondContact OG-N 2.8Å; S51-S53 PolarHBondContact OG-OG 2.89Å
52R44.5Very low63Low241 Ų24190.7 Ų90.791%0.90948%0.476SS*.  trans-71.338.6168-68-178.5172.5178.6-2.4112.5I50I50-R52 PolarHBondContact O-N 3.29Å
53S45.6Very low65.6Low59 Ų5986.8 Ų86.841%0.41346%0.461SS..  trans-87.4120.6167.152.10000107.6S51 E55S51-S53 PolarHBondContact O-N 2.69Å; S51-S53 PolarHBondContact OG-N 2.8Å; S51-S53 PolarHBondContact OG-OG 2.89Å; S53-E55 PolarHBondContact O-N 2.66Å; S53-E55 PolarHBondContact OG-O 3.22Å; S53-E55 VanDerWaalsContact OG-O 3.04Å
54H61.6Low68.3Low164 Ų16481 Ų8176%0.75943%0.431SS*.SBendtrans-65.926167.8-70.2-63.9000112.7E59H54-E59 IonicContact ND1-OE1 3.69Å
55E78.7Confident71.1Confident162 Ų16283.7 Ų83.776%0.75744%0.441SS*.  trans-141.8124.9-174.4-63.7-173.5171.100107.3S53S53-E55 PolarHBondContact O-N 2.66Å; S53-E55 PolarHBondContact OG-O 3.22Å; S53-E55 VanDerWaalsContact OG-O 3.04Å
56G89.9Confident73.5Confident49 Ų4981.8 Ų81.851%0.50542%0.423SS..SBendtrans163.8166.3-179.300000112.3G58 E59G56-G58 PolarHBondContact O-N 2.95Å; G56-E59 WeakPolarHBondContact O-CB 3.47Å; G56-E59 PolarHBondContact O-N 3.19Å
57P95.3Very high75.9Confident68 Ų6883 Ų8344%0.44243%0.434SS..THydrogen-bonded Turntrans-56.8129.4174.6-23.334.2000111.5E59 V64 L90P57-E59 VanDerWaalsContact C-N 3.27Å; P57-E59 PolarHBondContact O-N 2.85Å; P57-V64 HydrophobicContact CB-CG1 4.25Å; P57-V64 HydrophobicContact CB-CG2 3.89Å; P57-L90 HydrophobicContact CB-CB 4.29Å; P57-L90 HydrophobicContact CG-CB 4.44Å
58G96.1Very high78.5Confident4 Ų482.1 Ų82.14%0.04144%0.436CS..THydrogen-bonded Turntrans76.84.2173.600000116.3G56 G61 K62 V64 R95G56-G58 PolarHBondContact O-N 2.95Å; G58-G61 WeakPolarHBondContact O-CA 3.26Å; G58-G61 PolarHBondContact O-N 2.87Å; G58-G61 VanDerWaalsContact O-N 3.14Å; G58-K62 WeakPolarHBondContact CA-O 3.17Å; G58-V64 VanDerWaalsContact N-CG2 3.27Å; G58-R95 WeakPolarHBondContact O-CD 3.32Å; G58-R95 PolarHBondContact O-NH1 2.96Å; G58-R95 VanDerWaalsContact O-NH1 3.09Å
59E96.6Very high81Confident26 Ų2686.5 Ų86.512%0.12145%0.45CS..G310 helixtrans-61.6144.4174.7-174.361.9-172.700111.1H54 G56 P57 G61 K62 R95 S96H54-E59 IonicContact ND1-OE1 3.69Å; G56-E59 WeakPolarHBondContact O-CB 3.47Å; G56-E59 PolarHBondContact O-N 3.19Å; P57-E59 VanDerWaalsContact C-N 3.27Å; P57-E59 PolarHBondContact O-N 2.85Å; E59-G61 PolarHBondContact O-N 3.09Å; E59-K62 WeakPolarHBondContact O-CG 3.35Å; E59-K62 PolarHBondContact O-N 2.76Å; E59-R95 WeakPolarHBondContact OE2-CA 3.37Å; E59-S96 WeakPolarHBondContact OE1-CB 2.95Å; E59-S96 PolarHBondContact OE1-OG 3.1Å; E59-S96 PolarHBondContact OE2-N 3.37Å; E59-S96 PolarHBondContact OE2-OG 3.33Å
60M96.1Very high83.2Confident94 Ų9488.6 Ų88.646%0.46346%0.46SS..G310 helixtrans54.331-169.5-65.5-64-60.200112.9K62 S96 P98M60-K62 VanDerWaalsContact C-N 3.26Å; M60-K62 PolarHBondContact O-N 2.96Å; M60-S96 WeakPolarHBondContact CA-O 3.18Å; M60-S96 PolarHBondContact N-O 2.99Å; M60-S96 VanDerWaalsContact N-O 3.11Å; M60-S96 PolarHBondContact N-OG 2.91Å; M60-S96 PolarHBondContact SD-OG 2.98Å; M60-P98 HydrophobicContact CE-CB 4.3Å; M60-P98 WeakPolarHBondContact O-CD 3.49Å
61G96.7Very high85.4Confident4 Ų487 Ų874%0.04145%0.451CS..G310 helixtrans67.716.8177.900000115.3G58 E59 S96 E246 Y247G58-G61 WeakPolarHBondContact O-CA 3.26Å; G58-G61 PolarHBondContact O-N 2.87Å; G58-G61 VanDerWaalsContact O-N 3.14Å; E59-G61 PolarHBondContact O-N 3.09Å; G61-S96 PolarHBondContact N-O 3.32Å; G61-E246 CarbonylContact O-C 3.56Å; G61-E246 WeakPolarHBondContact O-CA 3.43Å; G61-Y247 PolarHBondContact O-N 3.34Å
62K97.4Very high88Confident147 Ų14786.7 Ų86.764%0.63946%0.457SS*.  trans-67.9153.6-178.9-68.5177.1-1781760112.6G58 E59 M60G58-K62 WeakPolarHBondContact CA-O 3.17Å; E59-K62 WeakPolarHBondContact O-CG 3.35Å; E59-K62 PolarHBondContact O-N 2.76Å; M60-K62 VanDerWaalsContact C-N 3.26Å; M60-K62 PolarHBondContact O-N 2.96Å
63A97.7Very high90.4Very high36 Ų3681.3 Ų81.330%0.29844%0.44SS..  trans-62.1135173.900000112.5T244 E246A63-T244 HydrophobicContact CB-CG2 4.42Å; A63-E246 HydrophobicContact CB-CB 3.93Å; A63-E246 HydrophobicContact CB-CG 4.32Å
64V96.9Very high92.8Very high10 Ų1079.6 Ų79.66%0.06143%0.426CS..  trans-101.7111.9171.5178.70000109.8P57 G58 I66 A87 L90 I91 T244P57-V64 HydrophobicContact CB-CG1 4.25Å; P57-V64 HydrophobicContact CB-CG2 3.89Å; G58-V64 VanDerWaalsContact N-CG2 3.27Å; V64-I66 HydrophobicContact CG1-CD1 4.47Å; V64-A87 HydrophobicContact CB-CB 4.14Å; V64-A87 HydrophobicContact CG1-CB 4.08Å; V64-L90 HydrophobicContact CG1-CD1 4.38Å; V64-I91 HydrophobicContact CB-CD1 4.46Å; V64-I91 HydrophobicContact CG2-CD1 3.71Å; V64-I91 HydrophobicContact CG2-CG1 3.69Å; V64-T244 PolarHBondContact N-O 2.92Å
65N94.6Very high94.3Very high131 Ų13178 Ų7870%0.70142%0.417SS*.PPolyproline II helixtrans-93.6124.4178.6-66.9-45.4000110.8
66I94.8Very high95.1Very high14 Ų1475.5 Ų75.57%0.07241%0.405CS..PPolyproline II helixtrans-79.9130.9177.2-65.4-46.8000110.5V64 D70 Q71 M74 N84 M86 A87 L90V64-I66 HydrophobicContact CG1-CD1 4.47Å; I66-D70 HydrophobicContact CG2-CB 3.91Å; I66-Q71 PolarHBondContact O-NE2 2.93Å; I66-M74 HydrophobicContact CG1-CG 4.19Å; I66-M74 HydrophobicContact CG2-CB 4.19Å; I66-N84 WeakPolarHBondContact CG1-ND2 3.3Å; I66-M86 HydrophobicContact CB-CE 3.98Å; I66-M86 HydrophobicContact CD1-CB 4.38Å; I66-M86 HydrophobicContact CD1-CE 3.66Å; I66-M86 HydrophobicContact CD1-CG 4.32Å; I66-M86 HydrophobicContact CG1-CE 3.72Å; I66-M86 HydrophobicContact CG2-CE 3.07Å; I66-A87 HydrophobicContact CD1-CB 4.27Å; I66-L90 HydrophobicContact CD1-CD1 4.04Å
67P94.1Very high95.3Very high75 Ų7575.3 Ų75.349%0.48739%0.392SS..PPolyproline II helixtrans-52.6146.8175.1-26.434.7000112.9D69 D70 Q71P67-D69 PolarHBondContact O-N 2.83Å; P67-D70 PolarHBondContact O-N 2.81Å; P67-Q71 PolarHBondContact O-N 2.85Å
68K93.8Very high95.3Very high191 Ų19173.9 Ų73.983%0.8338%0.379SS*.G310 helixtrans-56.1-37.6-176.5-72-174.5179.3178.70112.9D70 Q71K68-D70 PolarHBondContact O-N 3.47Å; K68-Q71 WeakPolarHBondContact O-CB 3.33Å; K68-Q71 WeakPolarHBondContact O-CG 3.48Å; K68-Q71 PolarHBondContact O-N 2.99Å
69D95.6Very high95.1Very high157 Ų15779.3 Ų79.384%0.8440%0.402SS*.G310 helixtrans-65.9-27-178.4-58.9-20.8000112.6P67P67-D69 PolarHBondContact O-N 2.83Å
70D94.7Very high94.9Very high72 Ų7281.8 Ų81.839%0.38542%0.415SS..G310 helixtrans-96.7-0.1-179.7-69.3-45000113.4I66 P67 K68 G72 K73 M74 M86I66-D70 HydrophobicContact CG2-CB 3.91Å; P67-D70 PolarHBondContact O-N 2.81Å; K68-D70 PolarHBondContact O-N 3.47Å; D70-G72 VanDerWaalsContact C-N 3.27Å; D70-G72 PolarHBondContact O-N 3Å; D70-K73 PolarHBondContact O-N 2.72Å; D70-M74 WeakPolarHBondContact O-CB 3.45Å; D70-M74 PolarHBondContact O-N 3.05Å; D70-M86 HydrophobicContact CB-CE 3.65Å; D70-M86 HydrophobicContact CB-SD 4.34Å
71Q92.9Very high94.8Very high66 Ų6677.3 Ų77.331%0.30839%0.393SS..Hα-helixtrans-60.7-34.7-178.5-73.3-73.9-31.900112.9I66 P67 K68 M74 K75I66-Q71 PolarHBondContact O-NE2 2.93Å; P67-Q71 PolarHBondContact O-N 2.85Å; K68-Q71 WeakPolarHBondContact O-CB 3.33Å; K68-Q71 WeakPolarHBondContact O-CG 3.48Å; K68-Q71 PolarHBondContact O-N 2.99Å; Q71-M74 PolarHBondContact O-N 3.01Å; Q71-K75 WeakPolarHBondContact O-CG 3.44Å; Q71-K75 PolarHBondContact O-N 3.19Å; Q71-K75 VanDerWaalsContact O-N 3.09Å
72G94.4Very high94.7Very high51 Ų5179.2 Ų79.253%0.52640%0.401SS..Hα-helixtrans-62.9-47.4175.900000112D70 K75 E76D70-G72 VanDerWaalsContact C-N 3.27Å; D70-G72 PolarHBondContact O-N 3Å; G72-K75 PolarHBondContact O-N 3.36Å; G72-E76 PolarHBondContact O-N 2.98Å
73K95.2Very high94.7Very high127 Ų12772.2 Ų72.255%0.55237%0.37SS*.Hα-helixtrans-65.4-40.9176.8-174.7-178.6178.2-173.20111.8D70 K75 E76 L77 M86D70-K73 PolarHBondContact O-N 2.72Å; K73-K75 VanDerWaalsContact C-N 3.33Å; K73-K75 PolarHBondContact O-N 2.69Å; K73-E76 PolarHBondContact O-N 3.19Å; K73-L77 HydrophobicContact CG-CD1 4.21Å; K73-L77 WeakPolarHBondContact O-CG 3.49Å; K73-L77 PolarHBondContact O-N 3.27Å; K73-M86 HydrophobicContact CD-SD 4.43Å
74M95Very high94.6Very high23 Ų2370.7 Ų70.711%0.11336%0.357CS..Hα-helixtrans-55.8-47.1175.9-178.9-83-69.600111.5I66 D70 Q71 E76 L77 F78 N84 M86I66-M74 HydrophobicContact CG1-CG 4.19Å; I66-M74 HydrophobicContact CG2-CB 4.19Å; D70-M74 WeakPolarHBondContact O-CB 3.45Å; D70-M74 PolarHBondContact O-N 3.05Å; Q71-M74 PolarHBondContact O-N 3.01Å; M74-E76 VanDerWaalsContact C-N 3.33Å; M74-E76 PolarHBondContact O-N 2.92Å; M74-L77 PolarHBondContact O-N 2.66Å; M74-F78 WeakPolarHBondContact O-CB 3.17Å; M74-F78 PolarHBondContact O-N 3.06Å; M74-F78 HydrophobicContact SD-CB 4.49Å; M74-F78 HydrophobicContact SD-CD2 4.42Å; M74-N84 WeakPolarHBondContact CG-OD1 3.3Å; M74-M86 HydrophobicContact CB-CE 3.78Å; M74-M86 HydrophobicContact CG-CE 4.39Å
75K94.3Very high94.5Very high130 Ų13070.9 Ų70.957%0.56536%0.358SS*.Hα-helixtrans-62.2-37.3179.5-73.6176.8-178.2-177.90113.1Q71 G72 K73 F78Q71-K75 WeakPolarHBondContact O-CG 3.44Å; Q71-K75 PolarHBondContact O-N 3.19Å; Q71-K75 VanDerWaalsContact O-N 3.09Å; G72-K75 PolarHBondContact O-N 3.36Å; K73-K75 VanDerWaalsContact C-N 3.33Å; K73-K75 PolarHBondContact O-N 2.69Å; K75-F78 PolarHBondContact O-N 2.84Å
76E94.8Very high94.6Very high110 Ų11065.8 Ų65.851%0.51433%0.33SS..Hα-helixtrans-68.8-43.1175.3-67.3-50.9128.700111.8G72 K73 M74 F78 K79G72-E76 PolarHBondContact O-N 2.98Å; K73-E76 PolarHBondContact O-N 3.19Å; M74-E76 VanDerWaalsContact C-N 3.33Å; M74-E76 PolarHBondContact O-N 2.92Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.36Å; E76-K79 PolarHBondContact O-N 2.69Å; E76-K79 IonicContact OE1-NZ 3.79Å; E76-K79 PolarHBondContact OE1-NZ 2.86Å; E76-K79 IonicContact OE2-NZ 3.78Å; E76-K79 PolarHBondContact OE2-NZ 3.35Å
77L94.1Very high94.7Very high45 Ų4565.1 Ų65.124%0.23633%0.327CS..Hα-helixtrans-65.5-33.8175.4-68.1177.4000112.3K73 M74 K79 I80 L85 M86K73-L77 HydrophobicContact CG-CD1 4.21Å; K73-L77 WeakPolarHBondContact O-CG 3.49Å; K73-L77 PolarHBondContact O-N 3.27Å; M74-L77 PolarHBondContact O-N 2.66Å; L77-K79 PolarHBondContact O-N 3.2Å; L77-I80 HydrophobicContact CD2-CD1 3.86Å; L77-I80 WeakPolarHBondContact O-CB 3.33Å; L77-I80 PolarHBondContact O-N 3.38Å; L77-I80 VanDerWaalsContact O-N 3.16Å; L77-L85 HydrophobicContact CB-CB 4.19Å; L77-L85 HydrophobicContact CB-CD1 4.29Å; L77-L85 VanDerWaalsContact O-CD1 3.32Å; L77-L85 WeakPolarHBondContact O-CD1 3.31Å; L77-M86 HydrophobicContact CD1-CB 4.2Å
78F94.6Very high94.9Very high38 Ų3861.6 Ų61.617%0.16730%0.303CS..Hα-helixtrans-57.4-38.8177.8-167-77000111.8M74 K75 E76 I80 Q82 F83 N84 D242 E243M74-F78 WeakPolarHBondContact O-CB 3.17Å; M74-F78 PolarHBondContact O-N 3.06Å; M74-F78 HydrophobicContact SD-CB 4.49Å; M74-F78 HydrophobicContact SD-CD2 4.42Å; K75-F78 PolarHBondContact O-N 2.84Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 3.36Å; F78-I80 PolarHBondContact O-N 3.49Å; F78-I80 VanDerWaalsContact O-N 3.14Å; F78-Q82 WeakPolarHBondContact O-CA 3.49Å; F78-Q82 PolarHBondContact O-N 3.12Å; F78-F83 WeakPolarHBondContact CA-O 3.4Å; F78-F83 VanDerWaalsContact CD2-C 3.4Å; F78-N84 HydrophobicContact CD2-CB 4.25Å; F78-D242 WeakPolarHBondContact CE2-O 3.46Å; F78-D242 HydrophobicContact CZ-CB 4.42Å; F78-E243 HydrophobicContact CE2-CG 4.45Å
79K92.7Very high95Very high119 Ų11956.9 Ų56.952%0.51729%0.287SS..Hα-helixtrans-60.7-26.9-178.5-65172.6-167.8165.20113.3E76 L77 Q82E76-K79 PolarHBondContact O-N 2.69Å; E76-K79 IonicContact OE1-NZ 3.79Å; E76-K79 PolarHBondContact OE1-NZ 2.86Å; E76-K79 IonicContact OE2-NZ 3.78Å; E76-K79 PolarHBondContact OE2-NZ 3.35Å; L77-K79 PolarHBondContact O-N 3.2Å; K79-Q82 PolarHBondContact O-NE2 3.42Å
80I92.3Very high95Very high78 Ų7853.9 Ų53.940%0.427%0.271SS..Hα-helixtrans-71.3-40.1-171.9-59.4176.6000112L77 F78 L85 R159L77-I80 HydrophobicContact CD2-CD1 3.86Å; L77-I80 WeakPolarHBondContact O-CB 3.33Å; L77-I80 PolarHBondContact O-N 3.38Å; L77-I80 VanDerWaalsContact O-N 3.16Å; F78-I80 PolarHBondContact O-N 3.49Å; F78-I80 VanDerWaalsContact O-N 3.14Å; I80-L85 HydrophobicContact CB-CD1 3.94Å; I80-L85 HydrophobicContact CD1-CD1 4.28Å; I80-L85 HydrophobicContact CG2-CD1 4.18Å; I80-R159 PolarHBondContact O-NH2 2.79Å
81N93.5Very high95.1Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-125.1-0.4-179.3-76.186000113.6F83 L85 N125 E126 A127 R159 R346N81-F83 VanDerWaalsContact C-N 3.28Å; N81-F83 HydrophobicContact CB-CD1 3.82Å; N81-F83 HydrophobicContact CB-CE1 3.38Å; N81-F83 HydrophobicContact CB-CE2 4.21Å; N81-F83 HydrophobicContact CB-CG 4.4Å; N81-F83 HydrophobicContact CB-CZ 3.6Å; N81-F83 VanDerWaalsContact O-CD1 3.27Å; N81-F83 WeakPolarHBondContact O-CD1 3.4Å; N81-F83 PolarHBondContact O-N 2.97Å; N81-L85 HydrophobicContact CB-CD2 4.03Å; N81-L85 HydrophobicContact CB-CG 4.42Å; N81-N125 PolarHBondContact ND2-O 2.94Å; N81-N125 VanDerWaalsContact ND2-O 3.15Å; N81-E126 PolarHBondContact ND2-OE1 2.83Å; N81-A127 PolarHBondContact ND2-N 2.85Å; N81-R159 PolarHBondContact OD1-NH1 3.04Å; N81-R159 PolarHBondContact OD1-NH2 3.17Å; N81-R346 WeakPolarHBondContact O-CD 3.34Å; N81-R346 PolarHBondContact O-NE 3.38Å
82Q95.7Very high95.3Very high44 Ų4448.5 Ų48.521%0.20625%0.247CC..THydrogen-bonded Turntrans61.434.6-175.2-56.9-66.6-53.500113.2F78 K79 R346 A348 P350F78-Q82 WeakPolarHBondContact O-CA 3.49Å; F78-Q82 PolarHBondContact O-N 3.12Å; K79-Q82 PolarHBondContact O-NE2 3.42Å; Q82-R346 HydrophobicContact CB-CB 4.28Å; Q82-R346 HydrophobicContact CB-CG 4.45Å; Q82-A348 WeakPolarHBondContact CB-O 3.27Å; Q82-A348 HydrophobicContact CG-CB 4.42Å; Q82-A348 WeakPolarHBondContact CG-O 3.47Å; Q82-P350 HydrophobicContact CG-CB 3.89Å
83F96.4Very high95.4Very high0 Ų046.5 Ų46.50%022%0.224CC..SBendtrans-156.9165.1167.760-102000109.9F78 N81 L85 A127 T130 D242 F245 V344 R346F78-F83 WeakPolarHBondContact CA-O 3.4Å; F78-F83 VanDerWaalsContact CD2-C 3.4Å; N81-F83 VanDerWaalsContact C-N 3.28Å; N81-F83 HydrophobicContact CB-CD1 3.82Å; N81-F83 HydrophobicContact CB-CE1 3.38Å; N81-F83 HydrophobicContact CB-CE2 4.21Å; N81-F83 HydrophobicContact CB-CG 4.4Å; N81-F83 HydrophobicContact CB-CZ 3.6Å; N81-F83 VanDerWaalsContact O-CD1 3.27Å; N81-F83 WeakPolarHBondContact O-CD1 3.4Å; N81-F83 PolarHBondContact O-N 2.97Å; F83-L85 HydrophobicContact CD2-CD2 4.21Å; F83-L85 HydrophobicContact CE2-CD2 3.49Å; F83-L85 VanDerWaalsContact CE2-CD2 3.49Å; F83-L85 HydrophobicContact CE2-CG 4.36Å; F83-L85 HydrophobicContact CZ-CD2 3.96Å; F83-L85 PolarHBondContact O-N 3.45Å; F83-A127 HydrophobicContact CE2-CB 4.21Å; F83-A127 HydrophobicContact CZ-CB 3.82Å; F83-T130 HydrophobicContact CD2-CG2 4.48Å; F83-T130 HydrophobicContact CE2-CG2 3.54Å; F83-T130 HydrophobicContact CZ-CG2 3.58Å; F83-D242 CarbonylContact C-O 3.5Å; F83-D242 WeakPolarHBondContact CA-O 3.44Å; F83-D242 HydrophobicContact CB-CB 3.85Å; F83-F245 AromaticContact CD2-CE2 3.77Å; F83-F245 HydrophobicContact CD2-CE2 3.77Å; F83-F245 AromaticContact CD2-CZ 3.64Å; F83-F245 HydrophobicContact CD2-CZ 3.64Å; F83-F245 HydrophobicContact CE2-CE2 4.42Å; F83-F245 AromaticContact CE2-CZ 3.92Å; F83-F245 HydrophobicContact CE2-CZ 3.92Å; F83-F245 HydrophobicContact CG-CZ 4.41Å; F83-V344 HydrophobicContact CB-CG1 3.91Å; F83-V344 HydrophobicContact CD1-CG1 4.2Å; F83-V344 HydrophobicContact CG-CG1 4.12Å; F83-R346 HydrophobicContact CD1-CG 4.47Å
84N96.6Very high95.4Very high4 Ų443 Ų432%0.02121%0.212CC..  trans-72.486.4-175.8-172.6-10.3000112.1I66 M74 F78 M86 A87 S88 D242 E243 F245I66-N84 WeakPolarHBondContact CG1-ND2 3.3Å; M74-N84 WeakPolarHBondContact CG-OD1 3.3Å; F78-N84 HydrophobicContact CD2-CB 4.25Å; N84-M86 PolarHBondContact O-N 3.15Å; N84-M86 PolarHBondContact OD1-N 3.48Å; N84-A87 HydrophobicContact CB-CB 4.06Å; N84-A87 VanDerWaalsContact CG-CB 3.49Å; N84-A87 WeakPolarHBondContact ND2-CB 3.4Å; N84-A87 PolarHBondContact O-N 2.57Å; N84-A87 PolarHBondContact OD1-N 3.26Å; N84-S88 PolarHBondContact O-N 2.84Å; N84-D242 WeakPolarHBondContact CB-O 3.42Å; N84-D242 PolarHBondContact N-O 3.47Å; N84-E243 VanDerWaalsContact CB-O 3.27Å; N84-E243 WeakPolarHBondContact CB-O 3.46Å; N84-E243 PolarHBondContact ND2-O 3.16Å; N84-F245 WeakPolarHBondContact O-CE2 3.12Å
85L95.4Very high95.5Very high13 Ų1342 Ų427%0.06821%0.207CC..Hα-helixtrans-54.9-37.1176.5-70.7178.2000112.8L77 I80 N81 F83 S88 D89 A127L77-L85 HydrophobicContact CB-CB 4.19Å; L77-L85 HydrophobicContact CB-CD1 4.29Å; L77-L85 VanDerWaalsContact O-CD1 3.32Å; L77-L85 WeakPolarHBondContact O-CD1 3.31Å; I80-L85 HydrophobicContact CB-CD1 3.94Å; I80-L85 HydrophobicContact CD1-CD1 4.28Å; I80-L85 HydrophobicContact CG2-CD1 4.18Å; N81-L85 HydrophobicContact CB-CD2 4.03Å; N81-L85 HydrophobicContact CB-CG 4.42Å; F83-L85 HydrophobicContact CD2-CD2 4.21Å; F83-L85 HydrophobicContact CE2-CD2 3.49Å; F83-L85 VanDerWaalsContact CE2-CD2 3.49Å; F83-L85 HydrophobicContact CE2-CG 4.36Å; F83-L85 HydrophobicContact CZ-CD2 3.96Å; F83-L85 PolarHBondContact O-N 3.45Å; L85-S88 WeakPolarHBondContact O-CB 3.24Å; L85-S88 PolarHBondContact O-N 3.3Å; L85-D89 WeakPolarHBondContact O-CB 3.04Å; L85-D89 PolarHBondContact O-N 2.85Å; L85-A127 HydrophobicContact CD2-CB 3.32Å
86M95.9Very high95.6Very high25 Ų2537 Ų3712%0.12319%0.188CC..Hα-helixtrans-70.3-39.3-176.4-162.9165.971.900111.8I66 D70 K73 M74 L77 N84 L90I66-M86 HydrophobicContact CB-CE 3.98Å; I66-M86 HydrophobicContact CD1-CB 4.38Å; I66-M86 HydrophobicContact CD1-CE 3.66Å; I66-M86 HydrophobicContact CD1-CG 4.32Å; I66-M86 HydrophobicContact CG1-CE 3.72Å; I66-M86 HydrophobicContact CG2-CE 3.07Å; D70-M86 HydrophobicContact CB-CE 3.65Å; D70-M86 HydrophobicContact CB-SD 4.34Å; K73-M86 HydrophobicContact CD-SD 4.43Å; M74-M86 HydrophobicContact CB-CE 3.78Å; M74-M86 HydrophobicContact CG-CE 4.39Å; L77-M86 HydrophobicContact CD1-CB 4.2Å; N84-M86 PolarHBondContact O-N 3.15Å; N84-M86 PolarHBondContact OD1-N 3.48Å; M86-L90 VanDerWaalsContact O-CG 3.28Å; M86-L90 WeakPolarHBondContact O-CG 3.21Å; M86-L90 PolarHBondContact O-N 3.46Å
87A96.9Very high95.7Very high0 Ų032.6 Ų32.60%017%0.168CC..Hα-helixtrans-62.2-46.4170.100000110.5V64 I66 N84 D89 L90 I91 F245V64-A87 HydrophobicContact CB-CB 4.14Å; V64-A87 HydrophobicContact CG1-CB 4.08Å; I66-A87 HydrophobicContact CD1-CB 4.27Å; N84-A87 HydrophobicContact CB-CB 4.06Å; N84-A87 VanDerWaalsContact CG-CB 3.49Å; N84-A87 WeakPolarHBondContact ND2-CB 3.4Å; N84-A87 PolarHBondContact O-N 2.57Å; N84-A87 PolarHBondContact OD1-N 3.26Å; A87-D89 PolarHBondContact O-N 3.28Å; A87-L90 PolarHBondContact O-N 3.37Å; A87-I91 WeakPolarHBondContact O-CD1 3.48Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.38Å; A87-I91 PolarHBondContact O-N 3.46Å; A87-F245 HydrophobicContact CB-CD2 4.15Å
88S97.6Very high95.8Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-57.2-46.6177.1-170.40000112.3N84 L85 L90 I91 S129 T130 R133 F245N84-S88 PolarHBondContact O-N 2.84Å; L85-S88 WeakPolarHBondContact O-CB 3.24Å; L85-S88 PolarHBondContact O-N 3.3Å; S88-L90 PolarHBondContact O-N 3.17Å; S88-I91 PolarHBondContact O-N 3.35Å; S88-S129 WeakPolarHBondContact CB-OG 3.44Å; S88-S129 WeakPolarHBondContact OG-CB 3.43Å; S88-S129 PolarHBondContact OG-OG 3.4Å; S88-T130 WeakPolarHBondContact OG-CG2 3.3Å; S88-R133 PolarHBondContact O-NH2 2.79Å; S88-R133 PolarHBondContact OG-NH1 2.81Å; S88-R133 VanDerWaalsContact OG-NH1 3.14Å; S88-R133 PolarHBondContact OG-NH2 3.46Å; S88-F245 VanDerWaalsContact CB-CZ 3.48Å
89D96.5Very high95.9Very high92 Ų9233.5 Ų33.549%0.49218%0.177SC..Hα-helixtrans-68.6-20.9-176-68.8-14.3000113.3L85 A87 S129L85-D89 WeakPolarHBondContact O-CB 3.04Å; L85-D89 PolarHBondContact O-N 2.85Å; A87-D89 PolarHBondContact O-N 3.28Å; D89-S129 WeakPolarHBondContact OD1-CB 3.46Å; D89-S129 PolarHBondContact OD1-OG 3.2Å
90L95.8Very high96Very high94 Ų9429.6 Ų29.649%0.49216%0.163SC..Hα-helixtrans-80.2-19.6173.2-69171.4000113.3P57 V64 I66 M86 A87 S88P57-L90 HydrophobicContact CB-CB 4.29Å; P57-L90 HydrophobicContact CG-CB 4.44Å; V64-L90 HydrophobicContact CG1-CD1 4.38Å; I66-L90 HydrophobicContact CD1-CD1 4.04Å; M86-L90 VanDerWaalsContact O-CG 3.28Å; M86-L90 WeakPolarHBondContact O-CG 3.21Å; M86-L90 PolarHBondContact O-N 3.46Å; A87-L90 PolarHBondContact O-N 3.37Å; S88-L90 PolarHBondContact O-N 3.17Å
91I97.2Very high96.2Very high2 Ų227.5 Ų27.51%0.0115%0.15CC..SBendtrans-90.1132.4-175.7-65.2164.4000109.8V64 A87 S88 R95 R133 F245V64-I91 HydrophobicContact CB-CD1 4.46Å; V64-I91 HydrophobicContact CG2-CD1 3.71Å; V64-I91 HydrophobicContact CG2-CG1 3.69Å; A87-I91 WeakPolarHBondContact O-CD1 3.48Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.38Å; A87-I91 PolarHBondContact O-N 3.46Å; S88-I91 PolarHBondContact O-N 3.35Å; I91-R95 HydrophobicContact CG2-CB 3.97Å; I91-R95 VanDerWaalsContact CG2-CD 3.41Å; I91-R95 HydrophobicContact CG2-CG 3.68Å; I91-R133 PolarHBondContact O-NH2 3.28Å; I91-F245 HydrophobicContact CD1-CB 3.33Å; I91-F245 HydrophobicContact CD1-CD1 4.2Å; I91-F245 HydrophobicContact CD1-CG 3.86Å
92A96.5Very high96.3Very high23 Ų2329.6 Ų29.619%0.1916%0.161CC..  trans-55144.5176.500000112.2N94 R95 R133A92-N94 PolarHBondContact O-N 3.19Å; A92-R95 HydrophobicContact CB-CB 4.41Å; A92-R95 PolarHBondContact O-N 3.39Å; A92-R133 PolarHBondContact O-NE 2.8Å
93L96.6Very high96.3Very high9 Ų933.3 Ų33.35%0.04718%0.182CC..THydrogen-bonded Turntrans-67.6-22.7177.5-66.7174.2000111.8V49 S129 L132 R133 H136V49-L93 HydrophobicContact CG1-CB 4.05Å; V49-L93 HydrophobicContact CG1-CD1 3.82Å; V49-L93 HydrophobicContact CG1-CG 3.45Å; V49-L93 VanDerWaalsContact CG1-CG 3.45Å; L93-S129 VanDerWaalsContact CD2-O 3.22Å; L93-S129 WeakPolarHBondContact CD2-O 3.31Å; L93-L132 HydrophobicContact CD1-CB 3.95Å; L93-L132 HydrophobicContact CD1-CD1 4.18Å; L93-L132 HydrophobicContact CD2-CB 3.79Å; L93-L132 HydrophobicContact CG-CB 4.45Å; L93-R133 HydrophobicContact CD2-CB 4.13Å; L93-R133 WeakPolarHBondContact O-CG 3.4Å; L93-H136 WeakPolarHBondContact O-CB 3.29Å
94N95.5Very high96.2Very high54 Ų5435.2 Ų35.229%0.28920%0.202SC..THydrogen-bonded Turntrans-112.823.7-179.965.5-19.9000112.6V49 A92V49-N94 PolarHBondContact O-OD1 3.46Å; A92-N94 PolarHBondContact O-N 3.19Å
95R96.4Very high96.2Very high3 Ų335.1 Ų35.11%0.01120%0.201CC..  trans-49.9144.1177.864.5148.6172-169.25.7111.8G58 E59 I91 A92 R141 E212 F245G58-R95 WeakPolarHBondContact O-CD 3.32Å; G58-R95 PolarHBondContact O-NH1 2.96Å; G58-R95 VanDerWaalsContact O-NH1 3.09Å; E59-R95 WeakPolarHBondContact OE2-CA 3.37Å; I91-R95 HydrophobicContact CG2-CB 3.97Å; I91-R95 VanDerWaalsContact CG2-CD 3.41Å; I91-R95 HydrophobicContact CG2-CG 3.68Å; A92-R95 HydrophobicContact CB-CB 4.41Å; A92-R95 PolarHBondContact O-N 3.39Å; R95-R141 PolarHBondContact O-NH2 2.83Å; R95-E212 IonicContact CZ-OE1 3.43Å; R95-E212 VanDerWaalsContact CZ-OE1 3.32Å; R95-E212 IonicContact CZ-OE2 3.71Å; R95-E212 IonicContact NE-OE1 2.72Å; R95-E212 PolarHBondContact NE-OE1 2.91Å; R95-E212 IonicContact NE-OE2 2.73Å; R95-E212 PolarHBondContact NE-OE2 2.88Å; R95-E212 IonicContact NH2-OE1 2.68Å; R95-E212 PolarHBondContact NH2-OE1 2.87Å; R95-E212 IonicContact NH2-OE2 3.42Å; R95-F245 PolarHBondContact NH1-O 3.31Å; R95-F245 PolarHBondContact NH2-O 3.4Å
96S96.2Very high96.3Very high24 Ų2438.8 Ų38.817%0.16822%0.217CC..  trans-75.7159.3172.868.60000112.1E59 M60 G61E59-S96 WeakPolarHBondContact OE1-CB 2.95Å; E59-S96 PolarHBondContact OE1-OG 3.1Å; E59-S96 PolarHBondContact OE2-N 3.37Å; E59-S96 PolarHBondContact OE2-OG 3.33Å; M60-S96 WeakPolarHBondContact CA-O 3.18Å; M60-S96 PolarHBondContact N-O 2.99Å; M60-S96 VanDerWaalsContact N-O 3.11Å; M60-S96 PolarHBondContact N-OG 2.91Å; M60-S96 PolarHBondContact SD-OG 2.98Å; G61-S96 PolarHBondContact N-O 3.32Å
97L97.3Very high96.2Very high17 Ų1743 Ų439%0.08924%0.244CC..  trans-127.8152.8176.6-68.3-178.2000109.6E212 T214 Y247L97-E212 HydrophobicContact CD1-CB 3.8Å; L97-T214 HydrophobicContact CD1-CG2 4.32Å; L97-Y247 HydrophobicContact CD1-CD2 4.12Å; L97-Y247 HydrophobicContact CD1-CE2 4.04Å; L97-Y247 HydrophobicContact CD2-CD2 3.98Å; L97-Y247 HydrophobicContact CD2-CG 4.06Å
98P95.8Very high96Very high36 Ų3646.5 Ų46.523%0.23426%0.259CS..  trans-66.4147.9172.728.6-32.2000111.1M60 V100 Y247M60-P98 HydrophobicContact CE-CB 4.3Å; M60-P98 WeakPolarHBondContact O-CD 3.49Å; P98-V100 HydrophobicContact CB-CG1 4.2Å; P98-V100 HydrophobicContact CG-CG1 3.92Å; P98-V100 PolarHBondContact O-N 3.36Å; P98-Y247 HydrophobicContact CG-CD1 3.91Å; P98-Y247 HydrophobicContact CG-CE1 4.32Å
99D96.4Very high95.9Very high66 Ų6652.8 Ų52.835%0.35330%0.298SS..  trans-81.294.4169.5-171.2-5.4000109.6R101D99-R101 VanDerWaalsContact C-N 3.33Å; D99-R101 WeakPolarHBondContact OD1-CB 3.27Å; D99-R101 WeakPolarHBondContact OD1-CG 3.49Å; D99-R101 IonicContact OD1-CZ 2.72Å; D99-R101 PolarHBondContact OD1-N 3.27Å; D99-R101 IonicContact OD1-NE 3.76Å; D99-R101 PolarHBondContact OD1-NE 3.47Å; D99-R101 IonicContact OD1-NH2 3.68Å; D99-R101 IonicContact OD2-CZ 3.98Å; D99-R101 IonicContact OD2-NE 3.03Å; D99-R101 IonicContact OD2-NH2 3.56Å; D99-R101 PolarHBondContact OD2-NH2 3.36Å
100V96.1Very high95.9Very high38 Ų3850.6 Ų50.623%0.2328%0.283CS..  trans-88.11.2-176.3-62.40000113.9P98 T214 Y247 A249 H340P98-V100 HydrophobicContact CB-CG1 4.2Å; P98-V100 HydrophobicContact CG-CG1 3.92Å; P98-V100 PolarHBondContact O-N 3.36Å; V100-T214 HydrophobicContact CG2-CG2 4.39Å; V100-Y247 HydrophobicContact CG1-CD1 4.43Å; V100-Y247 HydrophobicContact CG1-CE1 3.77Å; V100-Y247 HydrophobicContact CG2-CE1 3.98Å; V100-A249 HydrophobicContact CB-CB 3.87Å; V100-A249 HydrophobicContact CG1-CB 3.94Å; V100-A249 HydrophobicContact CG2-CB 4.33Å; V100-H340 HydrophobicContact CG2-CB 4.11Å
101R96.3Very high95.8Very high33 Ų3349.2 Ų49.213%0.12528%0.279CS..SBendtrans-64150.1179.8-63.2176.8-62.7166.11.2110.6D99 C105 K106 V215 C338D99-R101 VanDerWaalsContact C-N 3.33Å; D99-R101 WeakPolarHBondContact OD1-CB 3.27Å; D99-R101 WeakPolarHBondContact OD1-CG 3.49Å; D99-R101 IonicContact OD1-CZ 2.72Å; D99-R101 PolarHBondContact OD1-N 3.27Å; D99-R101 IonicContact OD1-NE 3.76Å; D99-R101 PolarHBondContact OD1-NE 3.47Å; D99-R101 IonicContact OD1-NH2 3.68Å; D99-R101 IonicContact OD2-CZ 3.98Å; D99-R101 IonicContact OD2-NE 3.03Å; D99-R101 IonicContact OD2-NH2 3.56Å; D99-R101 PolarHBondContact OD2-NH2 3.36Å; R101-C105 HydrophobicContact CB-CB 4Å; R101-K106 HydrophobicContact CB-CG 4.38Å; R101-K106 WeakPolarHBondContact O-CE 3.46Å; R101-V215 WeakPolarHBondContact CD-O 3.46Å; R101-V215 PolarHBondContact NE-O 3.39Å; R101-C338 WeakPolarHBondContact CD-O 3.37Å
102L95.4Very high95.6Very high44 Ų4456.4 Ų56.423%0.2332%0.318CS..  trans-57.1148.2168.9-62172.8000110.4G104 C105 K106 R281L102-G104 PolarHBondContact O-N 2.88Å; L102-C105 WeakPolarHBondContact O-CA 3.47Å; L102-C105 VanDerWaalsContact O-CB 3.27Å; L102-C105 WeakPolarHBondContact O-CB 3.15Å; L102-C105 PolarHBondContact O-N 3.43Å; L102-K106 PolarHBondContact O-N 3.44Å; L102-R281 HydrophobicContact CD1-CB 3.7Å
103D95.1Very high95.6Very high123 Ų12360.5 Ų60.566%0.65834%0.337SS*.Hα-helixtrans-58.9-36.4-177-68.9-29.7000112.9C105 K106D103-C105 PolarHBondContact O-N 2.88Å; D103-K106 PolarHBondContact O-N 3.44Å; D103-K106 IonicContact OD1-NZ 3.62Å; D103-K106 PolarHBondContact OD1-NZ 3.36Å
104G95.1Very high95.7Very high40 Ų4061.1 Ų61.141%0.41234%0.34SS..Hα-helixtrans-65.8-21.2174.100000114.4L102L102-G104 PolarHBondContact O-N 2.88Å
105C97Very high95.8Very high1 Ų159.3 Ų59.31%0.00733%0.331CS..Hα-helixtrans-80.9-28.1175-68.20000112.5R101 L102 D103 T107 K108 C338R101-C105 HydrophobicContact CB-CB 4Å; L102-C105 WeakPolarHBondContact O-CA 3.47Å; L102-C105 VanDerWaalsContact O-CB 3.27Å; L102-C105 WeakPolarHBondContact O-CB 3.15Å; L102-C105 PolarHBondContact O-N 3.43Å; D103-C105 PolarHBondContact O-N 2.88Å; C105-T107 VanDerWaalsContact C-N 3.27Å; C105-T107 PolarHBondContact O-N 3.36Å; C105-K108 PolarHBondContact O-N 3.28Å; C105-C338 HydrophobicContact CB-CB 3.54Å; C105-C338 WeakPolarHBondContact CB-SG 3.44Å; C105-C338 WeakPolarHBondContact SG-CA 3.45Å; C105-C338 WeakPolarHBondContact SG-CB 3.32Å; C105-C338 CovalentContact SG-SG 2.04Å; C105-C338 PolarHBondContact SG-SG 2.9Å
106K95.9Very high95.9Very high90 Ų9061.6 Ų61.639%0.39134%0.343SS..Hα-helixtrans-69.3-27-177.8-63.5174.8-173.5156.80112.7R101 L102 D103R101-K106 HydrophobicContact CB-CG 4.38Å; R101-K106 WeakPolarHBondContact O-CE 3.46Å; L102-K106 PolarHBondContact O-N 3.44Å; D103-K106 PolarHBondContact O-N 3.44Å; D103-K106 IonicContact OD1-NZ 3.62Å; D103-K106 PolarHBondContact OD1-NZ 3.36Å
107T94.1Very high96.1Very high113 Ų11360.4 Ų60.469%0.69334%0.335SS*.THydrogen-bonded Turntrans-103.81.8-179.655.80000113.2C105 V109C105-T107 VanDerWaalsContact C-N 3.27Å; C105-T107 PolarHBondContact O-N 3.36Å; T107-V109 PolarHBondContact O-N 3.33Å
108K94.1Very high96.1Very high74 Ų7459.6 Ų59.632%0.32233%0.331SS..  trans-72.6127.8-179.2-161.6160.5-177.71680109.8C105 Y110 T282C105-K108 PolarHBondContact O-N 3.28Å; K108-Y110 HydrophobicContact CB-CE2 4.41Å; K108-Y110 HydrophobicContact CD-CE1 4.29Å; K108-Y110 HydrophobicContact CG-CE1 4.2Å; K108-T282 PolarHBondContact NZ-O 3.13Å; K108-T282 PolarHBondContact NZ-OG1 3.19Å
109V94.8Very high96.3Very high133 Ų13357.9 Ų57.981%0.80632%0.32SS*.  trans-99.8131.9177.9-177.10000108.5T107T107-V109 PolarHBondContact O-N 3.33Å
110Y96.1Very high96.4Very high46 Ų4654.8 Ų54.818%0.1830%0.303CS..  trans-105.5147.5175.8-58.7-76.8000109.3K108 E219 P220 A223K108-Y110 HydrophobicContact CB-CE2 4.41Å; K108-Y110 HydrophobicContact CD-CE1 4.29Å; K108-Y110 HydrophobicContact CG-CE1 4.2Å; Y110-E219 HydrophobicContact CD2-CB 3.75Å; Y110-E219 HydrophobicContact CE2-CB 4.28Å; Y110-E219 HydrophobicContact CG-CB 4.14Å; Y110-P220 HydrophobicContact CE1-CB 4.02Å; Y110-P220 HydrophobicContact CE1-CG 4.33Å; Y110-P220 HydrophobicContact CE2-CG 3.95Å; Y110-P220 WeakPolarHBondContact OH-CB 3.26Å; Y110-P220 WeakPolarHBondContact OH-CG 3.31Å; Y110-A223 HydrophobicContact CD1-CB 3.54Å; Y110-A223 HydrophobicContact CE1-CB 4.22Å; Y110-A223 HydrophobicContact CG-CB 4.34Å
111P95Very high96.5Very high64 Ų6453 Ų5342%0.41629%0.292SS..  trans-68.7148.718026.9-33.1000111.8D113 L114P111-D113 PolarHBondContact O-N 3.46Å; P111-L114 HydrophobicContact CG-CD2 4.22Å; P111-L114 WeakPolarHBondContact O-CD2 3.23Å; P111-L114 WeakPolarHBondContact O-CG 3.26Å
112D92.9Very high96.6Very high153 Ų15352 Ų5282%0.81829%0.29SS*.SBendtrans-70.9-30.6-168.5-63.7-42.9000114.2L114D112-L114 PolarHBondContact O-N 3.05Å
113D95.9Very high96.7Very high110 Ų11050.1 Ų50.159%0.58828%0.28SS*.  trans-84.756.4-179.958.4-45000112.2P111 R226P111-D113 PolarHBondContact O-N 3.46Å; D113-R226 VanDerWaalsContact C-NH1 3.29Å; D113-R226 WeakPolarHBondContact O-CD 3.41Å; D113-R226 PolarHBondContact O-NH1 3.4Å; D113-R226 IonicContact OD1-CZ 3.01Å; D113-R226 IonicContact OD1-NH1 2.62Å; D113-R226 PolarHBondContact OD1-NH1 3.49Å; D113-R226 IonicContact OD1-NH2 2.74Å; D113-R226 PolarHBondContact OD1-NH2 3.36Å; D113-R226 IonicContact OD2-CZ 3.14Å; D113-R226 IonicContact OD2-NE 3.89Å; D113-R226 IonicContact OD2-NH1 3.47Å; D113-R226 PolarHBondContact OD2-NH1 2.9Å; D113-R226 IonicContact OD2-NH2 2.75Å; D113-R226 PolarHBondContact OD2-NH2 2.84Å
114L98.4Very high96.8Very high21 Ų2145 Ų4511%0.1125%0.252CS..PPolyproline II helixtrans-75.7147172-59.4-176.4000111.3P111 D112 L146 E219 L222 A223P111-L114 HydrophobicContact CG-CD2 4.22Å; P111-L114 WeakPolarHBondContact O-CD2 3.23Å; P111-L114 WeakPolarHBondContact O-CG 3.26Å; D112-L114 PolarHBondContact O-N 3.05Å; L114-L146 HydrophobicContact CB-CD1 4.39Å; L114-L146 HydrophobicContact CB-CD2 3.72Å; L114-L146 HydrophobicContact CD1-CD1 3.92Å; L114-E219 HydrophobicContact CD1-CB 4.04Å; L114-E219 HydrophobicContact CD1-CG 4.44Å; L114-L222 HydrophobicContact CB-CB 4.29Å; L114-L222 HydrophobicContact CD1-CB 4.33Å; L114-A223 HydrophobicContact CD2-CB 3.89Å
115P98.5Very high96.8Very high17 Ų1744.3 Ų44.311%0.1124%0.239CC..PPolyproline II helixtrans-64.8143.1172.728.9-35.4000110.1Q202 V203 L222 R226P115-Q202 HydrophobicContact CB-CB 4.06Å; P115-V203 HydrophobicContact CB-CG2 4Å; P115-V203 HydrophobicContact CG-CG2 3.9Å; P115-L222 HydrophobicContact CG-CB 4.29Å; P115-L222 WeakPolarHBondContact O-CD1 3.43Å; P115-R226 HydrophobicContact CG-CB 4.45Å
116N98.5Very high96.8Very high50 Ų5044.3 Ų44.327%0.26724%0.239SC..PPolyproline II helixtrans-78.4159.8174.867.429000111.5L146 V148 G201 Q202 V203N116-L146 CarbonylContact C-O 3.35Å; N116-L146 WeakPolarHBondContact CA-O 3.4Å; N116-V148 HydrophobicContact CB-CG2 3.52Å; N116-G201 WeakPolarHBondContact OD1-CA 3.22Å; N116-Q202 VanDerWaalsContact N-OE1 3.14Å; N116-Q202 PolarHBondContact O-N 3.05Å; N116-Q202 PolarHBondContact OD1-N 2.87Å; N116-V203 PolarHBondContact O-N 3.2Å
117T98.8Very high96.9Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-129.1145.8-176.8-170.30000113.1I119 L146 V148 V203 T205 L218 L222T117-I119 HydrophobicContact CG2-CD1 3.72Å; T117-L146 PolarHBondContact N-O 3.48Å; T117-V148 WeakPolarHBondContact O-CB 3.49Å; T117-V148 PolarHBondContact O-N 2.89Å; T117-V203 VanDerWaalsContact CA-O 3.3Å; T117-V203 WeakPolarHBondContact CA-O 3.37Å; T117-V203 PolarHBondContact OG1-O 3.14Å; T117-T205 PolarHBondContact OG1-N 2.83Å; T117-T205 PolarHBondContact OG1-OG1 3.04Å; T117-L218 HydrophobicContact CG2-CD1 3.98Å; T117-L218 HydrophobicContact CG2-CD2 3.97Å; T117-L222 HydrophobicContact CG2-CD1 4.42Å; T117-L222 HydrophobicContact CG2-CD2 4.48Å
118S98.9Very high97.1Very high0 Ų036.6 Ų36.60%020%0.195CC..EExtended strand (participates in β ladder)trans-100.8126.8161-65.40000109.2E149 T199 T200 G201 V203 T205S118-E149 WeakPolarHBondContact OG-CG 3.31Å; S118-E149 PolarHBondContact OG-OE1 3.22Å; S118-E149 VanDerWaalsContact OG-OE1 3.09Å; S118-T199 VanDerWaalsContact CB-CB 3.5Å; S118-T200 PolarHBondContact OG-N 2.99Å; S118-G201 PolarHBondContact OG-N 2.95Å; S118-V203 PolarHBondContact N-O 3.26Å; S118-T205 PolarHBondContact O-N 3.22Å
119I98.9Very high97.3Very high0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-87.5127.5176.7-49.4-58.2000109T117 I121 V138 L147 E149 I150 V151 T205 L207 W217T117-I119 HydrophobicContact CG2-CD1 3.72Å; I119-I121 HydrophobicContact CG2-CD1 4.29Å; I119-I121 HydrophobicContact CG2-CG1 4.01Å; I119-V138 HydrophobicContact CG1-CG1 3.81Å; I119-V138 HydrophobicContact CG2-CG2 4.43Å; I119-L147 HydrophobicContact CD1-CD1 4.22Å; I119-L147 HydrophobicContact CG1-CD1 3.44Å; I119-L147 VanDerWaalsContact CG1-CD1 3.44Å; I119-E149 PolarHBondContact N-O 3.35Å; I119-I150 HydrophobicContact CB-CG1 4.27Å; I119-I150 HydrophobicContact CG1-CG1 4.5Å; I119-I150 CarbonylContact O-C 3.48Å; I119-I150 WeakPolarHBondContact O-CA 3.46Å; I119-V151 PolarHBondContact O-N 2.8Å; I119-T205 CarbonylContact C-O 3.55Å; I119-T205 VanDerWaalsContact CA-O 3.29Å; I119-T205 WeakPolarHBondContact CA-O 3.32Å; I119-T205 HydrophobicContact CD1-CG2 3.85Å; I119-L207 HydrophobicContact CG2-CD1 3.87Å; I119-L207 HydrophobicContact CG2-CG 4.22Å; I119-W217 HydrophobicContact CD1-CH2 4.22Å
120V98.9Very high97.4Very high1 Ų127.2 Ų27.21%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-110.9120175.9178.80000109.2V151 V153 T199 I204 T205 F206 L207V120-V151 WeakPolarHBondContact CA-O 3.48Å; V120-V151 HydrophobicContact CG2-CB 4.38Å; V120-V153 HydrophobicContact CG1-CG2 4.14Å; V120-T199 HydrophobicContact CG2-CG2 3.5Å; V120-T199 VanDerWaalsContact CG2-CG2 3.5Å; V120-I204 HydrophobicContact CB-CG2 4.45Å; V120-I204 HydrophobicContact CG2-CG2 3.75Å; V120-T205 PolarHBondContact N-O 2.93Å; V120-F206 HydrophobicContact CB-CD1 3.76Å; V120-F206 HydrophobicContact CB-CE1 3.91Å; V120-F206 HydrophobicContact CG1-CD1 3.9Å; V120-F206 HydrophobicContact CG1-CE1 3.88Å; V120-F206 HydrophobicContact CG2-CE1 4.33Å; V120-F206 WeakPolarHBondContact O-CA 3.48Å; V120-L207 PolarHBondContact O-N 3.49Å
121I98.8Very high97.6Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-120110.8178.3-55.8173.4000108.4I119 L131 T134 V135 I150 V151 L152 V153 L207 A209I119-I121 HydrophobicContact CG2-CD1 4.29Å; I119-I121 HydrophobicContact CG2-CG1 4.01Å; I121-L131 HydrophobicContact CG2-CD1 4.36Å; I121-T134 HydrophobicContact CD1-CG2 3.89Å; I121-V135 HydrophobicContact CD1-CG2 4.34Å; I121-I150 HydrophobicContact CD1-CG2 3.97Å; I121-I150 HydrophobicContact CG1-CG2 4.49Å; I121-V151 PolarHBondContact N-O 3.29Å; I121-L152 HydrophobicContact CB-CD2 3.74Å; I121-L152 HydrophobicContact CD1-CD2 3.92Å; I121-L152 HydrophobicContact CG1-CD2 4.26Å; I121-L152 HydrophobicContact CG2-CD2 4.26Å; I121-L152 CarbonylContact O-C 3.56Å; I121-L152 WeakPolarHBondContact O-CA 3.4Å; I121-V153 PolarHBondContact O-N 3.43Å; I121-L207 WeakPolarHBondContact CA-O 3.35Å; I121-L207 HydrophobicContact CG1-CB 4.22Å; I121-A209 HydrophobicContact CG2-CB 3.79Å
122V98.3Very high97.7Very high13 Ų1322 Ų228%0.07912%0.116CC..EExtended strand (participates in β ladder)trans-87.6135.5173.5177.70000109.3V153 D155 L188 A191 R192V122-V153 WeakPolarHBondContact CA-O 3.06Å; V122-V153 HydrophobicContact CG2-CB 4.15Å; V122-V153 HydrophobicContact CG2-CG2 4.49Å; V122-D155 HydrophobicContact CG1-CB 4.49Å; V122-L188 HydrophobicContact CB-CD1 3.84Å; V122-L188 HydrophobicContact CG1-CD1 3.91Å; V122-L188 HydrophobicContact CG2-CD1 4.25Å; V122-A191 HydrophobicContact CB-CB 4.32Å; V122-A191 HydrophobicContact CG1-CB 3.46Å; V122-A191 VanDerWaalsContact CG1-CB 3.46Å; V122-A191 HydrophobicContact CG2-CB 3.84Å; V122-R192 HydrophobicContact CG2-CB 4.41Å; V122-R192 HydrophobicContact CG2-CG 3.57Å
123F97.6Very high98Very high4 Ų414.8 Ų14.82%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-139.5149.1174.672-81.6000111.9E126 L131 L152 V153 D154 D155 L162 L166 A209F123-E126 HydrophobicContact CB-CB 4.08Å; F123-L131 HydrophobicContact CB-CD1 4.35Å; F123-L131 HydrophobicContact CD1-CD1 4.32Å; F123-L131 HydrophobicContact CD2-CD2 4.18Å; F123-L131 HydrophobicContact CE2-CD2 4.28Å; F123-L131 HydrophobicContact CG-CD1 4.3Å; F123-L131 HydrophobicContact CG-CD2 4.3Å; F123-L131 HydrophobicContact CZ-CD2 4.49Å; F123-L152 HydrophobicContact CD1-CB 4.37Å; F123-L152 HydrophobicContact CE1-CB 3.87Å; F123-V153 WeakPolarHBondContact CD1-O 3.42Å; F123-V153 PolarHBondContact N-O 3.32Å; F123-D154 HydrophobicContact CE1-CB 3.8Å; F123-D154 HydrophobicContact CE2-CB 3.92Å; F123-D154 HydrophobicContact CZ-CB 3.42Å; F123-D154 VanDerWaalsContact CZ-CB 3.42Å; F123-D155 PolarHBondContact O-N 2.51Å; F123-L162 HydrophobicContact CD2-CD1 4.19Å; F123-L162 HydrophobicContact CD2-CD2 4.4Å; F123-L162 HydrophobicContact CE2-CB 4.2Å; F123-L162 HydrophobicContact CE2-CD1 4.05Å; F123-L162 HydrophobicContact CE2-CD2 4.04Å; F123-L162 HydrophobicContact CE2-CG 4.31Å; F123-L166 HydrophobicContact CE2-CD2 4.28Å; F123-L166 HydrophobicContact CZ-CD2 3.8Å; F123-A209 HydrophobicContact CB-CB 3.68Å
124H96Very high98.1Very high16 Ų169.6 Ų9.67%0.0745%0.05CC..SBendtrans-141.6121.5168.5175.373.6000107.5E126 D155 A156 S157 R185 Y351H124-E126 PolarHBondContact O-N 2.86Å; H124-D155 HydrophobicContact CB-CB 4.33Å; H124-D155 PolarHBondContact ND1-O 3.3Å; H124-A156 PolarHBondContact CE1-O 2.91Å; H124-A156 VanDerWaalsContact CE1-O 3.24Å; H124-A156 PolarHBondContact ND1-O 3.11Å; H124-S157 WeakPolarHBondContact CA-OG 2.93Å; H124-R185 PolarHBondContact CD2-NE 3.02Å; H124-R185 WeakPolarHBondContact CE1-CD 3.35Å; H124-R185 WeakPolarHBondContact ND1-CD 3.16Å; H124-R185 PolarHBondContact NE2-NE 3.37Å; H124-Y351 AromaticContact CD2-CD1 3.63Å; H124-Y351 WeakPolarHBondContact O-CE1 3.49Å; H124-Y351 PolarHBondContact O-OH 2.76Å
125N95.9Very high98.2Very high24 Ų248.6 Ų8.613%0.1285%0.045CC..SBendtrans50.831.5178.5-74.6-23.8000114.5N81 S157 E158 R159N81-N125 PolarHBondContact ND2-O 2.94Å; N81-N125 VanDerWaalsContact ND2-O 3.15Å; N125-S157 PolarHBondContact N-OG 2.93Å; N125-E158 PolarHBondContact OD1-N 3.26Å; N125-R159 PolarHBondContact O-NE 2.95Å; N125-R159 PolarHBondContact O-NH1 2.78Å; N125-R159 PolarHBondContact O-NH2 3.01Å; N125-R159 PolarHBondContact OD1-N 3.4Å
126E97.6Very high98.2Very high1 Ų19.1 Ų9.11%0.0055%0.046CC..  trans-70.5154.5-179.4-16555.8-9500111.7N81 F123 H124 T130 L131 A209 H210 R346N81-E126 PolarHBondContact ND2-OE1 2.83Å; F123-E126 HydrophobicContact CB-CB 4.08Å; H124-E126 PolarHBondContact O-N 2.86Å; E126-T130 PolarHBondContact OE1-OG1 3.29Å; E126-L131 HydrophobicContact CB-CB 4.48Å; E126-L131 HydrophobicContact CG-CB 4.14Å; E126-A209 HydrophobicContact CB-CB 4.33Å; E126-A209 HydrophobicContact CG-CB 3.8Å; E126-H210 IonicContact OE2-CE1 3.53Å; E126-H210 PolarHBondContact OE2-CE1 3.48Å; E126-H210 IonicContact OE2-CG 2.77Å; E126-H210 IonicContact OE2-ND1 3.86Å; E126-H210 PolarHBondContact OE2-ND1 3.24Å; E126-R346 VanDerWaalsContact CD-NH2 3.31Å; E126-R346 IonicContact OE1-NH2 2.79Å; E126-R346 PolarHBondContact OE1-NH2 3.36Å; E126-R346 VanDerWaalsContact OE1-NH2 3.08Å; E126-R346 IonicContact OE2-CZ 3.54Å; E126-R346 IonicContact OE2-NH2 3.56Å; E126-R346 PolarHBondContact OE2-NH2 3.26Å
127A97.4Very high98.2Very high4 Ų46.8 Ų6.83%0.0333%0.033CC..  trans-69.4143.1173.300000111.2N81 F83 L85 S129 T130 L131N81-A127 PolarHBondContact ND2-N 2.85Å; F83-A127 HydrophobicContact CE2-CB 4.21Å; F83-A127 HydrophobicContact CZ-CB 3.82Å; L85-A127 HydrophobicContact CD2-CB 3.32Å; A127-S129 VanDerWaalsContact C-N 3.32Å; A127-S129 PolarHBondContact O-N 2.76Å; A127-T130 WeakPolarHBondContact CB-OG1 3.35Å; A127-T130 PolarHBondContact O-N 3.29Å; A127-T130 PolarHBondContact O-OG1 3.2Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 PolarHBondContact O-N 3.21Å
128W98Very high98.2Very high38 Ų386.8 Ų6.814%0.1443%0.033CC..Hα-helixtrans-56.3-46178.8177-90.2000112.1L132 F161 K165 L166 Y169W128-L132 HydrophobicContact CD2-CD1 3.86Å; W128-L132 HydrophobicContact CE3-CD1 4.46Å; W128-L132 HydrophobicContact CG-CD1 4.34Å; W128-L132 HydrophobicContact CH2-CD1 4.05Å; W128-L132 HydrophobicContact CZ2-CD1 3.38Å; W128-L132 WeakPolarHBondContact O-CB 3.26Å; W128-L132 PolarHBondContact O-N 3.47Å; W128-L132 VanDerWaalsContact O-N 3.09Å; W128-F161 HydrophobicContact CB-CD2 4.09Å; W128-F161 HydrophobicContact CB-CE2 4.02Å; W128-F161 HydrophobicContact CE3-CB 4.44Å; W128-F161 AromaticContact CE3-CD2 3.97Å; W128-F161 HydrophobicContact CE3-CD2 3.97Å; W128-F161 VanDerWaalsContact CZ3-O 3.27Å; W128-F161 WeakPolarHBondContact CZ3-O 3.49Å; W128-K165 HydrophobicContact CH2-CD 4.2Å; W128-K165 HydrophobicContact CH2-CG 3.82Å; W128-K165 HydrophobicContact CZ3-CD 4.21Å; W128-K165 HydrophobicContact CZ3-CG 4Å; W128-L166 HydrophobicContact CH2-CD1 4.49Å; W128-L166 HydrophobicContact CZ3-CB 4.05Å; W128-L166 HydrophobicContact CZ3-CD1 4.02Å; W128-Y169 HydrophobicContact CH2-CD2 4.34Å; W128-Y169 HydrophobicContact CH2-CG 4.09Å; W128-Y169 AromaticContact CZ2-CD2 3.91Å; W128-Y169 HydrophobicContact CZ2-CD2 3.91Å; W128-Y169 HydrophobicContact CZ2-CE2 4.47Å; W128-Y169 HydrophobicContact CZ2-CG 4.03Å
129S98Very high98.1Very high5 Ų58 Ų84%0.0354%0.04CC..Hα-helixtrans-66.2-43.3-176.550.30000112.8S88 D89 L93 A127 R133S88-S129 WeakPolarHBondContact CB-OG 3.44Å; S88-S129 WeakPolarHBondContact OG-CB 3.43Å; S88-S129 PolarHBondContact OG-OG 3.4Å; D89-S129 WeakPolarHBondContact OD1-CB 3.46Å; D89-S129 PolarHBondContact OD1-OG 3.2Å; L93-S129 VanDerWaalsContact CD2-O 3.22Å; L93-S129 WeakPolarHBondContact CD2-O 3.31Å; A127-S129 VanDerWaalsContact C-N 3.32Å; A127-S129 PolarHBondContact O-N 2.76Å; S129-R133 WeakPolarHBondContact O-CB 3.34Å; S129-R133 PolarHBondContact O-N 3.37Å
130T98.1Very high98.1Very high4 Ų412.2 Ų12.23%0.0256%0.062CC..Hα-helixtrans-72.5-42.5179.650.50000112.8F83 S88 E126 A127 R133 T134 A209 F245F83-T130 HydrophobicContact CD2-CG2 4.48Å; F83-T130 HydrophobicContact CE2-CG2 3.54Å; F83-T130 HydrophobicContact CZ-CG2 3.58Å; S88-T130 WeakPolarHBondContact OG-CG2 3.3Å; E126-T130 PolarHBondContact OE1-OG1 3.29Å; A127-T130 WeakPolarHBondContact CB-OG1 3.35Å; A127-T130 PolarHBondContact O-N 3.29Å; A127-T130 PolarHBondContact O-OG1 3.2Å; T130-R133 PolarHBondContact O-N 2.85Å; T130-T134 PolarHBondContact O-N 3.03Å; T130-T134 PolarHBondContact O-OG1 2.67Å; T130-A209 CarbonylContact C-O 3.55Å; T130-F245 HydrophobicContact CG2-CE1 3.86Å; T130-F245 HydrophobicContact CG2-CZ 3.77Å
131L98.8Very high98Very high0 Ų013.9 Ų13.90%07%0.068CC..Hα-helixtrans-58.4-52.3176.7174.561.6000110.8I121 F123 E126 A127 T134 V135 L152 L162 L166 A209I121-L131 HydrophobicContact CG2-CD1 4.36Å; F123-L131 HydrophobicContact CB-CD1 4.35Å; F123-L131 HydrophobicContact CD1-CD1 4.32Å; F123-L131 HydrophobicContact CD2-CD2 4.18Å; F123-L131 HydrophobicContact CE2-CD2 4.28Å; F123-L131 HydrophobicContact CG-CD1 4.3Å; F123-L131 HydrophobicContact CG-CD2 4.3Å; F123-L131 HydrophobicContact CZ-CD2 4.49Å; E126-L131 HydrophobicContact CB-CB 4.48Å; E126-L131 HydrophobicContact CG-CB 4.14Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 PolarHBondContact O-N 3.21Å; L131-T134 WeakPolarHBondContact O-CB 3.44Å; L131-T134 PolarHBondContact O-N 3.43Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.06Å; L131-V135 VanDerWaalsContact O-N 3.12Å; L131-L152 HydrophobicContact CD1-CD2 4.43Å; L131-L162 HydrophobicContact CD2-CD2 3.77Å; L131-L166 HydrophobicContact CD2-CD1 4.18Å; L131-L166 HydrophobicContact CD2-CD2 3.87Å; L131-A209 VanDerWaalsContact CA-O 3.3Å; L131-A209 WeakPolarHBondContact CA-O 3.45Å; L131-A209 HydrophobicContact CD1-CB 3.99Å; L131-A209 PolarHBondContact N-O 2.72Å
132L98.6Very high98Very high0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-71.8-31.1-179-70.8-176.9000113L93 W128 T134 V135 H136 L166 Y169L93-L132 HydrophobicContact CD1-CB 3.95Å; L93-L132 HydrophobicContact CD1-CD1 4.18Å; L93-L132 HydrophobicContact CD2-CB 3.79Å; L93-L132 HydrophobicContact CG-CB 4.45Å; W128-L132 HydrophobicContact CD2-CD1 3.86Å; W128-L132 HydrophobicContact CE3-CD1 4.46Å; W128-L132 HydrophobicContact CG-CD1 4.34Å; W128-L132 HydrophobicContact CH2-CD1 4.05Å; W128-L132 HydrophobicContact CZ2-CD1 3.38Å; W128-L132 WeakPolarHBondContact O-CB 3.26Å; W128-L132 PolarHBondContact O-N 3.47Å; W128-L132 VanDerWaalsContact O-N 3.09Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 3.35Å; L132-V135 PolarHBondContact O-N 3.15Å; L132-H136 WeakPolarHBondContact O-CB 3.45Å; L132-H136 PolarHBondContact O-CD2 2.81Å; L132-H136 VanDerWaalsContact O-CD2 3.25Å; L132-H136 PolarHBondContact O-N 2.94Å; L132-L166 HydrophobicContact CD2-CD1 3.91Å; L132-Y169 HydrophobicContact CD1-CD1 3.72Å; L132-Y169 HydrophobicContact CD1-CD2 4.4Å; L132-Y169 HydrophobicContact CD1-CE1 3.52Å; L132-Y169 HydrophobicContact CD1-CE2 4.23Å; L132-Y169 HydrophobicContact CD1-CG 4.17Å; L132-Y169 HydrophobicContact CD2-CD1 3.62Å; L132-Y169 HydrophobicContact CD2-CE1 3.63Å; L132-Y169 HydrophobicContact CG-CD1 4.34Å; L132-Y169 HydrophobicContact CG-CE1 4.15Å
133R98.6Very high98Very high3 Ų315.2 Ų15.21%0.0118%0.078CC..Hα-helixtrans-64.1-36.5173.3-171.5177.8-57.912716110.7S88 I91 A92 L93 S129 T130 S137 E212S88-R133 PolarHBondContact O-NH2 2.79Å; S88-R133 PolarHBondContact OG-NH1 2.81Å; S88-R133 VanDerWaalsContact OG-NH1 3.14Å; S88-R133 PolarHBondContact OG-NH2 3.46Å; I91-R133 PolarHBondContact O-NH2 3.28Å; A92-R133 PolarHBondContact O-NE 2.8Å; L93-R133 HydrophobicContact CD2-CB 4.13Å; L93-R133 WeakPolarHBondContact O-CG 3.4Å; S129-R133 WeakPolarHBondContact O-CB 3.34Å; S129-R133 PolarHBondContact O-N 3.37Å; T130-R133 PolarHBondContact O-N 2.85Å; R133-S137 WeakPolarHBondContact O-CB 3.3Å; R133-S137 PolarHBondContact O-N 3.01Å; R133-E212 WeakPolarHBondContact CD-OE1 3.32Å; R133-E212 WeakPolarHBondContact CD-OE2 3.46Å; R133-E212 HydrophobicContact CG-CG 4.02Å
134T98.8Very high97.9Very high1 Ų121.1 Ų21.11%0.00610%0.1CC..Hα-helixtrans-60.9-50.3171.9-51.30000111.2I121 T130 L131 L132 H136 S137 V138 A209 H210 C211I121-T134 HydrophobicContact CD1-CG2 3.89Å; T130-T134 PolarHBondContact O-N 3.03Å; T130-T134 PolarHBondContact O-OG1 2.67Å; L131-T134 WeakPolarHBondContact O-CB 3.44Å; L131-T134 PolarHBondContact O-N 3.43Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 3.35Å; T134-H136 PolarHBondContact O-N 3.12Å; T134-S137 PolarHBondContact O-N 3.26Å; T134-V138 WeakPolarHBondContact O-CG2 3.41Å; T134-V138 PolarHBondContact O-N 2.84Å; T134-A209 VanDerWaalsContact OG1-C 3.23Å; T134-A209 PolarHBondContact OG1-O 2.75Å; T134-A209 VanDerWaalsContact OG1-O 3.13Å; T134-H210 PolarHBondContact OG1-N 2.83Å; T134-C211 WeakPolarHBondContact CA-O 3.45Å; T134-C211 WeakPolarHBondContact CB-O 3.38Å; T134-C211 HydrophobicContact CG2-CB 3.98Å; T134-C211 PolarHBondContact OG1-N 3.27Å; T134-C211 PolarHBondContact OG1-O 3.11Å; T134-C211 VanDerWaalsContact OG1-O 3.06Å
135V98.8Very high97.9Very high0 Ų027.1 Ų27.10%013%0.127CC..Hα-helixtrans-58.8-49.7178.4173.70000111.7I121 L131 L132 S137 V138 I139 I150 L152 L173 V177I121-V135 HydrophobicContact CD1-CG2 4.34Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.06Å; L131-V135 VanDerWaalsContact O-N 3.12Å; L132-V135 PolarHBondContact O-N 3.15Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.05Å; V135-V138 PolarHBondContact O-N 3.24Å; V135-I139 HydrophobicContact CG1-CD1 3.85Å; V135-I139 WeakPolarHBondContact O-CG1 3.24Å; V135-I139 PolarHBondContact O-N 3.14Å; V135-I150 HydrophobicContact CG1-CD1 4.14Å; V135-L152 HydrophobicContact CG2-CD1 4.24Å; V135-L152 HydrophobicContact CG2-CD2 3.88Å; V135-L173 HydrophobicContact CG1-CD1 3.68Å; V135-V177 HydrophobicContact CG1-CG2 4.39Å
136H98.5Very high98Very high27 Ų2726.1 Ų26.113%0.12512%0.122CC..Hα-helixtrans-63.3-39.7177.8-86-77000112.2L93 L132 T134 V138 I139 N140 Y169L93-H136 WeakPolarHBondContact O-CB 3.29Å; L132-H136 WeakPolarHBondContact O-CB 3.45Å; L132-H136 PolarHBondContact O-CD2 2.81Å; L132-H136 VanDerWaalsContact O-CD2 3.25Å; L132-H136 PolarHBondContact O-N 2.94Å; T134-H136 PolarHBondContact O-N 3.12Å; H136-V138 VanDerWaalsContact C-N 3.34Å; H136-V138 PolarHBondContact O-N 2.8Å; H136-I139 PolarHBondContact O-N 3.02Å; H136-N140 WeakPolarHBondContact O-CB 3.46Å; H136-N140 PolarHBondContact O-N 3.46Å; H136-N140 PolarHBondContact O-ND2 3.06Å; H136-N140 VanDerWaalsContact O-ND2 3.07Å; H136-Y169 AromaticContact NE2-CE1 3.85Å; H136-Y169 AromaticContact NE2-CZ 3.79Å; H136-Y169 PolarHBondContact NE2-OH 3.39Å
137S98.5Very high98.1Very high2 Ų226.2 Ų26.21%0.01412%0.123CC..Hα-helixtrans-61.4-42.7177.9-172.60000112.1R133 T134 V135 R141 E212 C213R133-S137 WeakPolarHBondContact O-CB 3.3Å; R133-S137 PolarHBondContact O-N 3.01Å; T134-S137 PolarHBondContact O-N 3.26Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.05Å; S137-R141 WeakPolarHBondContact O-CB 3.37Å; S137-R141 PolarHBondContact O-N 3.17Å; S137-R141 PolarHBondContact OG-NH1 3.23Å; S137-E212 WeakPolarHBondContact OG-CA 3.46Å; S137-C213 PolarHBondContact OG-N 3.06Å; S137-C213 PolarHBondContact OG-O 3.16Å
138V98.8Very high98.1Very high0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-61.5-51.3173.1168.50000111I119 T134 V135 H136 N140 R141 S142 L147 I150 L207 W217I119-V138 HydrophobicContact CG1-CG1 3.81Å; I119-V138 HydrophobicContact CG2-CG2 4.43Å; T134-V138 WeakPolarHBondContact O-CG2 3.41Å; T134-V138 PolarHBondContact O-N 2.84Å; V135-V138 PolarHBondContact O-N 3.24Å; H136-V138 VanDerWaalsContact C-N 3.34Å; H136-V138 PolarHBondContact O-N 2.8Å; V138-N140 PolarHBondContact O-N 2.78Å; V138-R141 PolarHBondContact O-N 2.86Å; V138-S142 WeakPolarHBondContact O-CB 3.41Å; V138-S142 PolarHBondContact O-N 3.07Å; V138-S142 VanDerWaalsContact O-N 3.15Å; V138-S142 PolarHBondContact O-OG 2.84Å; V138-L147 HydrophobicContact CG1-CD1 4.18Å; V138-L147 HydrophobicContact CG1-CD2 3.9Å; V138-I150 HydrophobicContact CB-CD1 4.23Å; V138-I150 HydrophobicContact CG1-CD1 3.74Å; V138-I150 HydrophobicContact CG1-CG1 4.19Å; V138-L207 HydrophobicContact CG2-CD1 3.47Å; V138-L207 VanDerWaalsContact CG2-CD1 3.47Å; V138-W217 HydrophobicContact CG2-CZ2 4.44Å
139I98.4Very high98.1Very high26 Ų2626.2 Ų26.213%0.13313%0.126CC..Hα-helixtrans-61.4-45.8-177.5-67.8172.7000111.1V135 H136 R141 I150 L173 V175V135-I139 HydrophobicContact CG1-CD1 3.85Å; V135-I139 WeakPolarHBondContact O-CG1 3.24Å; V135-I139 PolarHBondContact O-N 3.14Å; H136-I139 PolarHBondContact O-N 3.02Å; I139-R141 VanDerWaalsContact C-N 3.31Å; I139-R141 PolarHBondContact O-N 3.27Å; I139-I150 HydrophobicContact CD1-CD1 4.16Å; I139-I150 HydrophobicContact CG1-CD1 3.73Å; I139-L173 HydrophobicContact CD1-CB 4.19Å; I139-L173 HydrophobicContact CD1-CD1 4Å; I139-L173 HydrophobicContact CD1-CD2 4.46Å; I139-L173 HydrophobicContact CD1-CG 4.45Å; I139-V175 HydrophobicContact CB-CG2 4.43Å; I139-V175 HydrophobicContact CD1-CB 4.16Å; I139-V175 HydrophobicContact CD1-CG2 4.42Å; I139-V175 HydrophobicContact CG1-CB 4.02Å; I139-V175 HydrophobicContact CG1-CG2 3.91Å; I139-V175 HydrophobicContact CG2-CG2 3.99Å
140N97.4Very high98.2Very high88 Ų8826 Ų2647%0.47113%0.125SC..Hα-helixtrans-73.7-21-172.6-67.1-24.5000113.5H136 V138H136-N140 WeakPolarHBondContact O-CB 3.46Å; H136-N140 PolarHBondContact O-N 3.46Å; H136-N140 PolarHBondContact O-ND2 3.06Å; H136-N140 VanDerWaalsContact O-ND2 3.07Å; V138-N140 PolarHBondContact O-N 2.78Å
141R97.9Very high98.2Very high35 Ų3525.9 Ų25.913%0.13212%0.124CC..Hα-helixtrans-126.313.6-170.5-61174.8-176.9119.19.9114.2R95 S137 V138 I139 C213 W217R95-R141 PolarHBondContact O-NH2 2.83Å; S137-R141 WeakPolarHBondContact O-CB 3.37Å; S137-R141 PolarHBondContact O-N 3.17Å; S137-R141 PolarHBondContact OG-NH1 3.23Å; V138-R141 PolarHBondContact O-N 2.86Å; I139-R141 VanDerWaalsContact C-N 3.31Å; I139-R141 PolarHBondContact O-N 3.27Å; R141-C213 WeakPolarHBondContact CD-O 3.28Å; R141-C213 PolarHBondContact NE-O 3.49Å; R141-C213 PolarHBondContact NH1-O 2.99Å; R141-W217 PolarHBondContact O-NE1 2.85Å
142S98.4Very high98.2Very high12 Ų1225.9 Ų25.98%0.08412%0.124CC..SBendtrans-113.1133.1172.8-53.20000109.5V138 R144 W217V138-S142 WeakPolarHBondContact O-CB 3.41Å; V138-S142 PolarHBondContact O-N 3.07Å; V138-S142 VanDerWaalsContact O-N 3.15Å; V138-S142 PolarHBondContact O-OG 2.84Å; S142-R144 PolarHBondContact O-N 3.25Å; S142-W217 PolarHBondContact OG-NE1 2.86Å
143P97.4Very high98.2Very high30 Ų3025.9 Ų25.920%0.19512%0.124CC..  trans-57.4128.7174-25.334.8000111.1H145 L146 L147 E219P143-H145 VanDerWaalsContact C-N 3.26Å; P143-H145 PolarHBondContact O-N 2.89Å; P143-H145 VanDerWaalsContact O-N 3.16Å; P143-L146 HydrophobicContact CB-CD1 3.98Å; P143-L146 HydrophobicContact CB-CG 4.12Å; P143-L146 HydrophobicContact CG-CD1 3.94Å; P143-L146 PolarHBondContact O-N 2.7Å; P143-L147 PolarHBondContact O-N 3.32Å; P143-E219 HydrophobicContact CG-CG 3.93Å; P143-E219 VanDerWaalsContact CG-OE1 3.31Å; P143-E219 WeakPolarHBondContact CG-OE1 3.49Å
144R96Very high98.2Very high128 Ų12826.1 Ų26.148%0.48313%0.126SC..THydrogen-bonded Turntrans-57.7-38.8-170.1-147.8-40.1-175.5-174.97.5112.5S142 L146 L147 E174S142-R144 PolarHBondContact O-N 3.25Å; R144-L146 PolarHBondContact O-N 2.65Å; R144-L147 PolarHBondContact NH1-O 2.54Å; R144-L147 PolarHBondContact O-N 2.82Å; R144-E174 PolarHBondContact NH2-O 2.79Å
145H96.4Very high98.1Very high141 Ų14126.3 Ų26.365%0.65313%0.127SC*.THydrogen-bonded Turntrans-68.5-19.7-179.464.5-86.7000113.7P143P143-H145 VanDerWaalsContact C-N 3.26Å; P143-H145 PolarHBondContact O-N 2.89Å; P143-H145 VanDerWaalsContact O-N 3.16Å
146L98.3Very high98Very high4 Ų427.6 Ų27.62%0.02114%0.137CC..THydrogen-bonded Turntrans-91.5-29176.7-57.1178.9000112.5L114 N116 T117 P143 R144 V148 L218 E219 L222L114-L146 HydrophobicContact CB-CD1 4.39Å; L114-L146 HydrophobicContact CB-CD2 3.72Å; L114-L146 HydrophobicContact CD1-CD1 3.92Å; N116-L146 CarbonylContact C-O 3.35Å; N116-L146 WeakPolarHBondContact CA-O 3.4Å; T117-L146 PolarHBondContact N-O 3.48Å; P143-L146 HydrophobicContact CB-CD1 3.98Å; P143-L146 HydrophobicContact CB-CG 4.12Å; P143-L146 HydrophobicContact CG-CD1 3.94Å; P143-L146 PolarHBondContact O-N 2.7Å; R144-L146 PolarHBondContact O-N 2.65Å; L146-V148 PolarHBondContact O-N 2.7Å; L146-L218 HydrophobicContact CB-CD2 4.28Å; L146-E219 HydrophobicContact CD1-CG 4.25Å; L146-L222 HydrophobicContact CB-CD1 4.03Å; L146-L222 HydrophobicContact CD1-CD1 3.95Å; L146-L222 HydrophobicContact CG-CD1 4.38Å
147L98.5Very high97.9Very high2 Ų226.8 Ų26.81%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-87.5100.5-179.5179.357.6000110.8I119 V138 P143 R144 I150 V175I119-L147 HydrophobicContact CD1-CD1 4.22Å; I119-L147 HydrophobicContact CG1-CD1 3.44Å; I119-L147 VanDerWaalsContact CG1-CD1 3.44Å; V138-L147 HydrophobicContact CG1-CD1 4.18Å; V138-L147 HydrophobicContact CG1-CD2 3.9Å; P143-L147 PolarHBondContact O-N 3.32Å; R144-L147 PolarHBondContact NH1-O 2.54Å; R144-L147 PolarHBondContact O-N 2.82Å; L147-I150 HydrophobicContact CD1-CG1 4.24Å; L147-V175 HydrophobicContact CD2-CB 4.49Å; L147-V175 HydrophobicContact CD2-CG1 3.92Å; L147-V175 HydrophobicContact CD2-CG2 3.92Å; L147-V175 HydrophobicContact CG-CG1 3.92Å
148V97.9Very high97.7Very high39 Ų3933.5 Ų33.524%0.23617%0.166CC..EExtended strand (participates in β ladder)trans-71.4-55.4-179.8-178.40000110.6N116 T117 L146 T200N116-V148 HydrophobicContact CB-CG2 3.52Å; T117-V148 WeakPolarHBondContact O-CB 3.49Å; T117-V148 PolarHBondContact O-N 2.89Å; L146-V148 PolarHBondContact O-N 2.7Å; V148-T200 WeakPolarHBondContact CG1-OG1 3.47Å
149E98.6Very high97.5Very high4 Ų436 Ų362%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-161.1163.5-173.665-171.7144.500111.2S118 I119 V151 P176 K178 T200S118-E149 WeakPolarHBondContact OG-CG 3.31Å; S118-E149 PolarHBondContact OG-OE1 3.22Å; S118-E149 VanDerWaalsContact OG-OE1 3.09Å; I119-E149 PolarHBondContact N-O 3.35Å; E149-V151 HydrophobicContact CG-CG2 4.24Å; E149-P176 WeakPolarHBondContact CA-O 3.44Å; E149-P176 HydrophobicContact CB-CB 4.35Å; E149-K178 WeakPolarHBondContact OE2-CD 3.35Å; E149-K178 WeakPolarHBondContact OE2-CE 3.33Å; E149-K178 IonicContact OE2-NZ 3.64Å; E149-K178 PolarHBondContact OE2-NZ 3.36Å; E149-T200 WeakPolarHBondContact OE1-CB 3.42Å; E149-T200 PolarHBondContact OE1-N 2.68Å; E149-T200 PolarHBondContact OE1-OG1 3.17Å
150I98.9Very high97.5Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-115.8124.2167.9-56.3174.4000108I119 I121 V135 V138 I139 L147 L152 V175 P176 V177 K178I119-I150 HydrophobicContact CB-CG1 4.27Å; I119-I150 HydrophobicContact CG1-CG1 4.5Å; I119-I150 CarbonylContact O-C 3.48Å; I119-I150 WeakPolarHBondContact O-CA 3.46Å; I121-I150 HydrophobicContact CD1-CG2 3.97Å; I121-I150 HydrophobicContact CG1-CG2 4.49Å; V135-I150 HydrophobicContact CG1-CD1 4.14Å; V138-I150 HydrophobicContact CB-CD1 4.23Å; V138-I150 HydrophobicContact CG1-CD1 3.74Å; V138-I150 HydrophobicContact CG1-CG1 4.19Å; I139-I150 HydrophobicContact CD1-CD1 4.16Å; I139-I150 HydrophobicContact CG1-CD1 3.73Å; L147-I150 HydrophobicContact CD1-CG1 4.24Å; I150-L152 HydrophobicContact CG2-CD2 3.82Å; I150-L152 HydrophobicContact CG2-CG 4.39Å; I150-V175 HydrophobicContact CD1-CG1 4.46Å; I150-V175 HydrophobicContact CG1-CG1 4.26Å; I150-P176 PolarHBondContact N-O 3.33Å; I150-V177 HydrophobicContact CB-CG1 4.33Å; I150-V177 HydrophobicContact CB-CG2 4.13Å; I150-V177 HydrophobicContact CD1-CG2 4.3Å; I150-V177 HydrophobicContact CG2-CG1 4.43Å; I150-V177 CarbonylContact O-C 3.53Å; I150-V177 VanDerWaalsContact O-CA 3.3Å; I150-V177 WeakPolarHBondContact O-CA 3.49Å; I150-K178 PolarHBondContact O-N 3.47Å
151V98.9Very high97.4Very high1 Ų139.2 Ų39.21%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-104.8105.2175.4-176.40000108.3I119 V120 I121 E149 V153 V198 T199I119-V151 PolarHBondContact O-N 2.8Å; V120-V151 WeakPolarHBondContact CA-O 3.48Å; V120-V151 HydrophobicContact CG2-CB 4.38Å; I121-V151 PolarHBondContact N-O 3.29Å; E149-V151 HydrophobicContact CG-CG2 4.24Å; V151-V153 HydrophobicContact CG1-CG2 4.06Å; V151-V198 HydrophobicContact CG1-CG2 3.82Å; V151-V198 HydrophobicContact CG2-CG2 4.47Å; V151-T199 HydrophobicContact CG2-CG2 4.35Å
152L98.8Very high97.4Very high0 Ų037.5 Ų37.50%018%0.183CC..EExtended strand (participates in β ladder)trans-85.3119171-56.8-174.5000108.8I121 F123 L131 V135 I150 V170 V177 K178 I179 L180I121-L152 HydrophobicContact CB-CD2 3.74Å; I121-L152 HydrophobicContact CD1-CD2 3.92Å; I121-L152 HydrophobicContact CG1-CD2 4.26Å; I121-L152 HydrophobicContact CG2-CD2 4.26Å; I121-L152 CarbonylContact O-C 3.56Å; I121-L152 WeakPolarHBondContact O-CA 3.4Å; F123-L152 HydrophobicContact CD1-CB 4.37Å; F123-L152 HydrophobicContact CE1-CB 3.87Å; L131-L152 HydrophobicContact CD1-CD2 4.43Å; V135-L152 HydrophobicContact CG2-CD1 4.24Å; V135-L152 HydrophobicContact CG2-CD2 3.88Å; I150-L152 HydrophobicContact CG2-CD2 3.82Å; I150-L152 HydrophobicContact CG2-CG 4.39Å; L152-V170 HydrophobicContact CD1-CG1 4.17Å; L152-V177 HydrophobicContact CD1-CG1 3.77Å; L152-V177 HydrophobicContact CG-CG1 3.79Å; L152-K178 PolarHBondContact N-O 2.87Å; L152-I179 HydrophobicContact CB-CG1 4.28Å; L152-I179 HydrophobicContact CD1-CG1 4.33Å; L152-I179 CarbonylContact O-C 3.58Å; L152-I179 VanDerWaalsContact O-CA 3.32Å; L152-I179 WeakPolarHBondContact O-CA 3.42Å; L152-L180 PolarHBondContact O-N 2.99Å
153V98.7Very high97.3Very high0 Ų042.9 Ų42.90%020%0.201CC..EExtended strand (participates in β ladder)trans-105.7111.3177.8-170.70000109.2V120 I121 V122 F123 V151 D155 L180 M182 A191V120-V153 HydrophobicContact CG1-CG2 4.14Å; I121-V153 PolarHBondContact O-N 3.43Å; V122-V153 WeakPolarHBondContact CA-O 3.06Å; V122-V153 HydrophobicContact CG2-CB 4.15Å; V122-V153 HydrophobicContact CG2-CG2 4.49Å; F123-V153 WeakPolarHBondContact CD1-O 3.42Å; F123-V153 PolarHBondContact N-O 3.32Å; V151-V153 HydrophobicContact CG1-CG2 4.06Å; V153-D155 PolarHBondContact O-N 3.45Å; V153-L180 WeakPolarHBondContact CA-O 3.1Å; V153-L180 HydrophobicContact CG1-CD2 4.32Å; V153-L180 HydrophobicContact CG2-CB 4.45Å; V153-L180 HydrophobicContact CG2-CD2 4.4Å; V153-M182 HydrophobicContact CG1-CG 4.19Å; V153-M182 HydrophobicContact CG1-SD 4.23Å; V153-A191 HydrophobicContact CG1-CB 3.91Å
154D98.4Very high97.3Very high9 Ų944.2 Ų44.25%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-85.5105.8175-175.910.6000110.4F123 A156 S157 L180 R181 M182F123-D154 HydrophobicContact CE1-CB 3.8Å; F123-D154 HydrophobicContact CE2-CB 3.92Å; F123-D154 HydrophobicContact CZ-CB 3.42Å; F123-D154 VanDerWaalsContact CZ-CB 3.42Å; D154-A156 PolarHBondContact O-N 3.17Å; D154-S157 WeakPolarHBondContact OD1-CA 3.34Å; D154-S157 WeakPolarHBondContact OD1-CB 3.27Å; D154-S157 PolarHBondContact OD1-N 3.13Å; D154-S157 PolarHBondContact OD1-OG 3.21Å; D154-L180 PolarHBondContact N-O 3.5Å; D154-R181 WeakPolarHBondContact OD2-CD 3.12Å; D154-R181 IonicContact OD2-CZ 2.82Å; D154-R181 IonicContact OD2-NE 3.91Å; D154-R181 IonicContact OD2-NH1 3.68Å; D154-R181 PolarHBondContact OD2-NH1 3.36Å; D154-M182 WeakPolarHBondContact O-CB 3.27Å; D154-M182 WeakPolarHBondContact O-CG 3.46Å; D154-M182 PolarHBondContact O-N 3.46Å
155D96.8Very high97.4Very high5 Ų542.6 Ų42.63%0.02721%0.211CC..SBendtrans-80.562.6175.2-175.637.1000110.8V122 F123 H124 V153 M182 R185 S186 G187 A191V122-D155 HydrophobicContact CG1-CB 4.49Å; F123-D155 PolarHBondContact O-N 2.51Å; H124-D155 HydrophobicContact CB-CB 4.33Å; H124-D155 PolarHBondContact ND1-O 3.3Å; V153-D155 PolarHBondContact O-N 3.45Å; D155-M182 HydrophobicContact CB-SD 4.25Å; D155-R185 IonicContact OD2-NE 2.7Å; D155-S186 PolarHBondContact OD1-N 3.33Å; D155-G187 PolarHBondContact OD1-N 3.26Å; D155-G187 VanDerWaalsContact OD2-CA 3.26Å; D155-G187 WeakPolarHBondContact OD2-CA 3.38Å; D155-G187 PolarHBondContact OD2-N 2.97Å; D155-A191 HydrophobicContact CB-CB 4.18Å
156A95.9Very high97.5Very high26 Ų2635.9 Ų35.922%0.21518%0.18CC..SBendtrans55.857.917800000114.5H124 D154 R185H124-A156 PolarHBondContact CE1-O 2.91Å; H124-A156 VanDerWaalsContact CE1-O 3.24Å; H124-A156 PolarHBondContact ND1-O 3.11Å; D154-A156 PolarHBondContact O-N 3.17Å; A156-R185 HydrophobicContact CB-CB 4.28Å
157S96.6Very high97.4Very high10 Ų1038.5 Ų38.57%0.0719%0.192CC..  trans-67.2146.4172.9-61.40000112.9H124 N125 D154H124-S157 WeakPolarHBondContact CA-OG 2.93Å; N125-S157 PolarHBondContact N-OG 2.93Å; D154-S157 WeakPolarHBondContact OD1-CA 3.34Å; D154-S157 WeakPolarHBondContact OD1-CB 3.27Å; D154-S157 PolarHBondContact OD1-N 3.13Å; D154-S157 PolarHBondContact OD1-OG 3.21Å
158E94.9Very high97.4Very high144 Ų14442.6 Ų42.667%0.67321%0.214SC*.  trans-100.3-17.6-178-63.9173.5-175.800112.5N125 D160N125-E158 PolarHBondContact OD1-N 3.26Å; E158-D160 PolarHBondContact O-N 3.21Å
159R94.9Very high97.4Very high52 Ų5242.4 Ų42.420%0.19621%0.209CC..  trans-76.4123-175.9-57.2-174.1-175.4-174.85.3111.9I80 N81 N125 F161 L162I80-R159 PolarHBondContact O-NH2 2.79Å; N81-R159 PolarHBondContact OD1-NH1 3.04Å; N81-R159 PolarHBondContact OD1-NH2 3.17Å; N125-R159 PolarHBondContact O-NE 2.95Å; N125-R159 PolarHBondContact O-NH1 2.78Å; N125-R159 PolarHBondContact O-NH2 3.01Å; N125-R159 PolarHBondContact OD1-N 3.4Å; R159-F161 VanDerWaalsContact C-N 3.28Å; R159-F161 HydrophobicContact CB-CD1 4.13Å; R159-F161 HydrophobicContact CB-CE1 3.76Å; R159-F161 HydrophobicContact CB-CE2 4.28Å; R159-F161 HydrophobicContact CB-CZ 3.85Å; R159-F161 HydrophobicContact CG-CE1 4.21Å; R159-F161 HydrophobicContact CG-CZ 4.2Å; R159-F161 PolarHBondContact O-N 3.27Å; R159-L162 HydrophobicContact CB-CD1 4.08Å; R159-L162 HydrophobicContact CB-CG 4.3Å; R159-L162 WeakPolarHBondContact O-CB 3.45Å; R159-L162 PolarHBondContact O-N 3.46Å
160D97.1Very high97.3Very high116 Ų11642.5 Ų42.562%0.6221%0.21SC*.G310 helixtrans-58.1-35.3-174.9-71.2-38.7000114.5E158 L162 R163E158-D160 PolarHBondContact O-N 3.21Å; D160-L162 PolarHBondContact O-N 2.99Å; D160-L162 VanDerWaalsContact O-N 3.14Å; D160-R163 WeakPolarHBondContact O-CB 3.41Å; D160-R163 PolarHBondContact O-N 3.43Å; D160-R163 IonicContact OD1-CZ 4Å; D160-R163 IonicContact OD1-NH1 3.25Å; D160-R163 PolarHBondContact OD1-NH1 3.31Å
161F96.3Very high97.2Very high65 Ų6550.7 Ų50.729%0.28524%0.241SC..G310 helixtrans-65-16.9178.462.4-108000113.4W128 R159 R163 K165 L166W128-F161 HydrophobicContact CB-CD2 4.09Å; W128-F161 HydrophobicContact CB-CE2 4.02Å; W128-F161 HydrophobicContact CE3-CB 4.44Å; W128-F161 AromaticContact CE3-CD2 3.97Å; W128-F161 HydrophobicContact CE3-CD2 3.97Å; W128-F161 VanDerWaalsContact CZ3-O 3.27Å; W128-F161 WeakPolarHBondContact CZ3-O 3.49Å; R159-F161 VanDerWaalsContact C-N 3.28Å; R159-F161 HydrophobicContact CB-CD1 4.13Å; R159-F161 HydrophobicContact CB-CE1 3.76Å; R159-F161 HydrophobicContact CB-CE2 4.28Å; R159-F161 HydrophobicContact CB-CZ 3.85Å; R159-F161 HydrophobicContact CG-CE1 4.21Å; R159-F161 HydrophobicContact CG-CZ 4.2Å; R159-F161 PolarHBondContact O-N 3.27Å; F161-R163 VanDerWaalsContact C-N 3.31Å; F161-K165 HydrophobicContact CB-CD 4.23Å; F161-L166 PolarHBondContact O-N 2.87Å
162L97.6Very high97.1Very high0 Ų055.8 Ų55.80%027%0.272CS..G310 helixtrans-84.3-4.8175.8-64.7173.5000112.7F123 L131 R159 D160 L166 R181F123-L162 HydrophobicContact CD2-CD1 4.19Å; F123-L162 HydrophobicContact CD2-CD2 4.4Å; F123-L162 HydrophobicContact CE2-CB 4.2Å; F123-L162 HydrophobicContact CE2-CD1 4.05Å; F123-L162 HydrophobicContact CE2-CD2 4.04Å; F123-L162 HydrophobicContact CE2-CG 4.31Å; L131-L162 HydrophobicContact CD2-CD2 3.77Å; R159-L162 HydrophobicContact CB-CD1 4.08Å; R159-L162 HydrophobicContact CB-CG 4.3Å; R159-L162 WeakPolarHBondContact O-CB 3.45Å; R159-L162 PolarHBondContact O-N 3.46Å; D160-L162 PolarHBondContact O-N 2.99Å; D160-L162 VanDerWaalsContact O-N 3.14Å; L162-L166 HydrophobicContact CD2-CD2 4.25Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-R181 PolarHBondContact O-NH1 2.77Å; L162-R181 PolarHBondContact O-NH2 2.67Å
163R96.3Very high97Very high125 Ų12557.1 Ų57.147%0.47228%0.279SS..SBendtrans-90.3-122-177.8-59.5178.8174.5164.9-10.2111.3D160 F161 K165 L166 E167 R181D160-R163 WeakPolarHBondContact O-CB 3.41Å; D160-R163 PolarHBondContact O-N 3.43Å; D160-R163 IonicContact OD1-CZ 4Å; D160-R163 IonicContact OD1-NH1 3.25Å; D160-R163 PolarHBondContact OD1-NH1 3.31Å; F161-R163 VanDerWaalsContact C-N 3.31Å; R163-K165 VanDerWaalsContact C-N 3.25Å; R163-K165 PolarHBondContact O-N 3.42Å; R163-L166 PolarHBondContact O-N 3.1Å; R163-E167 PolarHBondContact O-N 3.01Å; R163-R181 PolarHBondContact O-NH2 2.77Å
164A97.1Very high96.7Very high57 Ų5765.5 Ų65.547%0.47132%0.319SS..Hα-helixtrans-53.4-40.4-177.900000112.8L166 E167 D168A164-L166 VanDerWaalsContact C-N 3.31Å; A164-L166 PolarHBondContact O-N 3.08Å; A164-E167 WeakPolarHBondContact O-CB 3.35Å; A164-E167 PolarHBondContact O-N 2.79Å; A164-E167 VanDerWaalsContact O-N 3.14Å; A164-D168 VanDerWaalsContact O-CG 3.29Å; A164-D168 PolarHBondContact O-N 2.67Å
165K97.9Very high96.6Very high94 Ų9465.3 Ų65.341%0.40932%0.318SS..Hα-helixtrans-59.5-39.7178.5-173.8-178.1178.4179.90112.9W128 F161 R163 Y169W128-K165 HydrophobicContact CH2-CD 4.2Å; W128-K165 HydrophobicContact CH2-CG 3.82Å; W128-K165 HydrophobicContact CZ3-CD 4.21Å; W128-K165 HydrophobicContact CZ3-CG 4Å; F161-K165 HydrophobicContact CB-CD 4.23Å; R163-K165 VanDerWaalsContact C-N 3.25Å; R163-K165 PolarHBondContact O-N 3.42Å; K165-Y169 WeakPolarHBondContact O-CB 3.18Å; K165-Y169 PolarHBondContact O-N 2.79Å; K165-Y169 VanDerWaalsContact O-N 3.11Å
166L98.3Very high96.6Very high0 Ų068.2 Ų68.20%034%0.337CS..Hα-helixtrans-69.7-42.3176.9-177.663.1000110.6F123 W128 L131 L132 F161 L162 R163 A164 Y169 V170 I179F123-L166 HydrophobicContact CE2-CD2 4.28Å; F123-L166 HydrophobicContact CZ-CD2 3.8Å; W128-L166 HydrophobicContact CH2-CD1 4.49Å; W128-L166 HydrophobicContact CZ3-CB 4.05Å; W128-L166 HydrophobicContact CZ3-CD1 4.02Å; L131-L166 HydrophobicContact CD2-CD1 4.18Å; L131-L166 HydrophobicContact CD2-CD2 3.87Å; L132-L166 HydrophobicContact CD2-CD1 3.91Å; F161-L166 PolarHBondContact O-N 2.87Å; L162-L166 HydrophobicContact CD2-CD2 4.25Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; R163-L166 PolarHBondContact O-N 3.1Å; A164-L166 VanDerWaalsContact C-N 3.31Å; A164-L166 PolarHBondContact O-N 3.08Å; L166-Y169 PolarHBondContact O-N 3.36Å; L166-V170 HydrophobicContact CD1-CG1 3.98Å; L166-V170 HydrophobicContact CG-CG1 4.35Å; L166-V170 WeakPolarHBondContact O-CG1 3.33Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 3.5Å; L166-I179 HydrophobicContact CB-CD1 4.35Å; L166-I179 HydrophobicContact CD2-CD1 3.88Å; L166-I179 HydrophobicContact CG-CD1 3.69Å
167E97.2Very high96.7Very high60 Ų6068 Ų6828%0.2833%0.332SS..Hα-helixtrans-59.4-47.4176.8-72.3165.8-154.900112R163 A164 Y169 V170 R171 I179 R181R163-E167 PolarHBondContact O-N 3.01Å; A164-E167 WeakPolarHBondContact O-CB 3.35Å; A164-E167 PolarHBondContact O-N 2.79Å; A164-E167 VanDerWaalsContact O-N 3.14Å; E167-Y169 VanDerWaalsContact C-N 3.3Å; E167-Y169 PolarHBondContact O-N 3.33Å; E167-V170 PolarHBondContact O-N 2.04Å; E167-R171 VanDerWaalsContact O-CG 3.24Å; E167-R171 WeakPolarHBondContact O-CG 3.39Å; E167-R171 PolarHBondContact O-N 3.15Å; E167-R171 IonicContact OE2-NH2 3.31Å; E167-I179 HydrophobicContact CG-CD1 3.8Å; E167-R181 IonicContact OE1-CZ 2.8Å; E167-R181 IonicContact OE1-NE 3.05Å; E167-R181 PolarHBondContact OE1-NE 2.92Å; E167-R181 IonicContact OE1-NH2 3.65Å; E167-R181 PolarHBondContact OE1-NH2 2.8Å
168D97.9Very high96.8Very high87 Ų8772.3 Ų72.347%0.46535%0.35SS..Hα-helixtrans-63.6-38.3178.2-65.7-23.4000111.4A164 R171A164-D168 VanDerWaalsContact O-CG 3.29Å; A164-D168 PolarHBondContact O-N 2.67Å; D168-R171 IonicContact OD1-CZ 2.66Å; D168-R171 IonicContact OD1-NH1 3.92Å; D168-R171 PolarHBondContact OD1-NH1 3.29Å
169Y97.8Very high96.9Very high36 Ų3667.3 Ų67.314%0.14133%0.327CS..Hα-helixtrans-65.6-52.4177-173.7-87.1000111.9W128 L132 H136 K165 L166 E167 R171 T172 L173W128-Y169 HydrophobicContact CH2-CD2 4.34Å; W128-Y169 HydrophobicContact CH2-CG 4.09Å; W128-Y169 AromaticContact CZ2-CD2 3.91Å; W128-Y169 HydrophobicContact CZ2-CD2 3.91Å; W128-Y169 HydrophobicContact CZ2-CE2 4.47Å; W128-Y169 HydrophobicContact CZ2-CG 4.03Å; L132-Y169 HydrophobicContact CD1-CD1 3.72Å; L132-Y169 HydrophobicContact CD1-CD2 4.4Å; L132-Y169 HydrophobicContact CD1-CE1 3.52Å; L132-Y169 HydrophobicContact CD1-CE2 4.23Å; L132-Y169 HydrophobicContact CD1-CG 4.17Å; L132-Y169 HydrophobicContact CD2-CD1 3.62Å; L132-Y169 HydrophobicContact CD2-CE1 3.63Å; L132-Y169 HydrophobicContact CG-CD1 4.34Å; L132-Y169 HydrophobicContact CG-CE1 4.15Å; H136-Y169 AromaticContact NE2-CE1 3.85Å; H136-Y169 AromaticContact NE2-CZ 3.79Å; H136-Y169 PolarHBondContact NE2-OH 3.39Å; K165-Y169 WeakPolarHBondContact O-CB 3.18Å; K165-Y169 PolarHBondContact O-N 2.79Å; K165-Y169 VanDerWaalsContact O-N 3.11Å; L166-Y169 PolarHBondContact O-N 3.36Å; E167-Y169 VanDerWaalsContact C-N 3.3Å; E167-Y169 PolarHBondContact O-N 3.33Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.4Å; Y169-T172 WeakPolarHBondContact O-CB 3.49Å; Y169-T172 PolarHBondContact O-N 2.84Å; Y169-T172 PolarHBondContact O-OG1 2.92Å; Y169-L173 HydrophobicContact CE1-CD2 4.25Å
170V97.4Very high97.1Very high6 Ų667.2 Ų67.24%0.03633%0.33CS..Hα-helixtrans-69.6-23.8-172.7-58.90000113.3L152 L166 E167 T172 L173 V177 I179L152-V170 HydrophobicContact CD1-CG1 4.17Å; L166-V170 HydrophobicContact CD1-CG1 3.98Å; L166-V170 HydrophobicContact CG-CG1 4.35Å; L166-V170 WeakPolarHBondContact O-CG1 3.33Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 3.5Å; E167-V170 PolarHBondContact O-N 2.04Å; V170-T172 PolarHBondContact O-N 3.34Å; V170-L173 HydrophobicContact CB-CD1 4.14Å; V170-L173 HydrophobicContact CG1-CD1 4.28Å; V170-L173 WeakPolarHBondContact O-CB 3.38Å; V170-L173 PolarHBondContact O-N 3.43Å; V170-V177 HydrophobicContact CB-CB 3.92Å; V170-V177 HydrophobicContact CB-CG1 3.85Å; V170-V177 HydrophobicContact CG1-CG1 4.02Å; V170-V177 HydrophobicContact CG2-CB 4.35Å; V170-V177 HydrophobicContact CG2-CG1 4.21Å; V170-I179 HydrophobicContact CG2-CD1 3.73Å; V170-I179 HydrophobicContact CG2-CG1 4.02Å
171R96.4Very high97.1Very high172 Ų17265.3 Ų65.365%0.64932%0.315SS*.THydrogen-bonded Turntrans-61.2-20.4171.8-77.1175.9-162.7143.49.3113.3E167 D168 Y169E167-R171 VanDerWaalsContact O-CG 3.24Å; E167-R171 WeakPolarHBondContact O-CG 3.39Å; E167-R171 PolarHBondContact O-N 3.15Å; E167-R171 IonicContact OE2-NH2 3.31Å; D168-R171 IonicContact OD1-CZ 2.66Å; D168-R171 IonicContact OD1-NH1 3.92Å; D168-R171 PolarHBondContact OD1-NH1 3.29Å; Y169-R171 VanDerWaalsContact C-N 3.26Å; Y169-R171 PolarHBondContact O-N 3.4Å
172T96.6Very high97.1Very high107 Ų10763.5 Ų63.566%0.65631%0.308SS*.THydrogen-bonded Turntrans-87.1-5.1-179.869.40000113.9Y169 V170Y169-T172 WeakPolarHBondContact O-CB 3.49Å; Y169-T172 PolarHBondContact O-N 2.84Å; Y169-T172 PolarHBondContact O-OG1 2.92Å; V170-T172 PolarHBondContact O-N 3.34Å
173L96.5Very high96.9Very high29 Ų2973.2 Ų73.215%0.15235%0.353CS..SBendtrans-81.9149.1-175.4-59.9174.5000112V135 I139 Y169 V170 V175 V177V135-L173 HydrophobicContact CG1-CD1 3.68Å; I139-L173 HydrophobicContact CD1-CB 4.19Å; I139-L173 HydrophobicContact CD1-CD1 4Å; I139-L173 HydrophobicContact CD1-CD2 4.46Å; I139-L173 HydrophobicContact CD1-CG 4.45Å; Y169-L173 HydrophobicContact CE1-CD2 4.25Å; V170-L173 HydrophobicContact CB-CD1 4.14Å; V170-L173 HydrophobicContact CG1-CD1 4.28Å; V170-L173 WeakPolarHBondContact O-CB 3.38Å; V170-L173 PolarHBondContact O-N 3.43Å; L173-V175 VanDerWaalsContact C-N 3.26Å; L173-V175 PolarHBondContact O-N 3.44Å; L173-V177 HydrophobicContact CB-CG2 4.35Å; L173-V177 HydrophobicContact CD1-CG2 3.72Å
174E93Very high96.8Very high176 Ų17674 Ų7482%0.82236%0.362SS*.SBendtrans-71.8-19.9-177.5-60.2-178.8171.600113.7R144R144-E174 PolarHBondContact NH2-O 2.79Å
175V95.6Very high96.5Very high5 Ų574 Ų743%0.0335%0.35CS..SBendtrans-101.3134.7175177.10000108.3I139 L147 I150 L173 V177I139-V175 HydrophobicContact CB-CG2 4.43Å; I139-V175 HydrophobicContact CD1-CB 4.16Å; I139-V175 HydrophobicContact CD1-CG2 4.42Å; I139-V175 HydrophobicContact CG1-CB 4.02Å; I139-V175 HydrophobicContact CG1-CG2 3.91Å; I139-V175 HydrophobicContact CG2-CG2 3.99Å; L147-V175 HydrophobicContact CD2-CB 4.49Å; L147-V175 HydrophobicContact CD2-CG1 3.92Å; L147-V175 HydrophobicContact CD2-CG2 3.92Å; L147-V175 HydrophobicContact CG-CG1 3.92Å; I150-V175 HydrophobicContact CD1-CG1 4.46Å; I150-V175 HydrophobicContact CG1-CG1 4.26Å; L173-V175 VanDerWaalsContact C-N 3.26Å; L173-V175 PolarHBondContact O-N 3.44Å; V175-V177 WeakPolarHBondContact O-CG2 3.39Å; V175-V177 PolarHBondContact O-N 3.14Å
176P97.4Very high96.1Very high66 Ų6670.2 Ų70.243%0.42934%0.335SS..  trans-54.9112.5172.5-2633000110.8E149 I150E149-P176 WeakPolarHBondContact CA-O 3.44Å; E149-P176 HydrophobicContact CB-CB 4.35Å; I150-P176 PolarHBondContact N-O 3.33Å
177V98.3Very high95.8Very high20 Ų2070.2 Ų70.212%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-111.9116.3173.5-175.80000108.7V135 I150 L152 V170 L173 V175V135-V177 HydrophobicContact CG1-CG2 4.39Å; I150-V177 HydrophobicContact CB-CG1 4.33Å; I150-V177 HydrophobicContact CB-CG2 4.13Å; I150-V177 HydrophobicContact CD1-CG2 4.3Å; I150-V177 HydrophobicContact CG2-CG1 4.43Å; I150-V177 CarbonylContact O-C 3.53Å; I150-V177 VanDerWaalsContact O-CA 3.3Å; I150-V177 WeakPolarHBondContact O-CA 3.49Å; L152-V177 HydrophobicContact CD1-CG1 3.77Å; L152-V177 HydrophobicContact CG-CG1 3.79Å; V170-V177 HydrophobicContact CB-CB 3.92Å; V170-V177 HydrophobicContact CB-CG1 3.85Å; V170-V177 HydrophobicContact CG1-CG1 4.02Å; V170-V177 HydrophobicContact CG2-CB 4.35Å; V170-V177 HydrophobicContact CG2-CG1 4.21Å; L173-V177 HydrophobicContact CB-CG2 4.35Å; L173-V177 HydrophobicContact CD1-CG2 3.72Å; V175-V177 WeakPolarHBondContact O-CG2 3.39Å; V175-V177 PolarHBondContact O-N 3.14Å
178K97.4Very high95.5Very high102 Ų10268.7 Ų68.744%0.44333%0.329SS..EExtended strand (participates in β ladder)trans-102.8138178.2-64.6175.8-175.6162.90109.1E149 I150 L152E149-K178 WeakPolarHBondContact OE2-CD 3.35Å; E149-K178 WeakPolarHBondContact OE2-CE 3.33Å; E149-K178 IonicContact OE2-NZ 3.64Å; E149-K178 PolarHBondContact OE2-NZ 3.36Å; I150-K178 PolarHBondContact O-N 3.47Å; L152-K178 PolarHBondContact N-O 2.87Å
179I98.4Very high95.3Very high38 Ų3864.6 Ų64.620%0.19531%0.307CS..EExtended strand (participates in β ladder)trans-108.6119.6172.9-51.6-177.3000108.8L152 L166 E167 V170L152-I179 HydrophobicContact CB-CG1 4.28Å; L152-I179 HydrophobicContact CD1-CG1 4.33Å; L152-I179 CarbonylContact O-C 3.58Å; L152-I179 VanDerWaalsContact O-CA 3.32Å; L152-I179 WeakPolarHBondContact O-CA 3.42Å; L166-I179 HydrophobicContact CB-CD1 4.35Å; L166-I179 HydrophobicContact CD2-CD1 3.88Å; L166-I179 HydrophobicContact CG-CD1 3.69Å; E167-I179 HydrophobicContact CG-CD1 3.8Å; V170-I179 HydrophobicContact CG2-CD1 3.73Å; V170-I179 HydrophobicContact CG2-CG1 4.02Å
180L98.1Very high95.2Very high50 Ų5066.7 Ų66.726%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-100.8116.9173.2-17864.3000108.8L152 V153 D154 R194 V198L152-L180 PolarHBondContact O-N 2.99Å; V153-L180 WeakPolarHBondContact CA-O 3.1Å; V153-L180 HydrophobicContact CG1-CD2 4.32Å; V153-L180 HydrophobicContact CG2-CB 4.45Å; V153-L180 HydrophobicContact CG2-CD2 4.4Å; D154-L180 PolarHBondContact N-O 3.5Å; L180-R194 HydrophobicContact CD2-CB 3.86Å; L180-V198 HydrophobicContact CD2-CG2 4.26Å
181R97.9Very high95.2Very high76 Ų7666.4 Ų66.429%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-94.4128.7178.7-57.4-62.6-172.9178.8-4.7110.7D154 L162 R163 E167D154-R181 WeakPolarHBondContact OD2-CD 3.12Å; D154-R181 IonicContact OD2-CZ 2.82Å; D154-R181 IonicContact OD2-NE 3.91Å; D154-R181 IonicContact OD2-NH1 3.68Å; D154-R181 PolarHBondContact OD2-NH1 3.36Å; L162-R181 PolarHBondContact O-NH1 2.77Å; L162-R181 PolarHBondContact O-NH2 2.67Å; R163-R181 PolarHBondContact O-NH2 2.77Å; E167-R181 IonicContact OE1-CZ 2.8Å; E167-R181 IonicContact OE1-NE 3.05Å; E167-R181 PolarHBondContact OE1-NE 2.92Å; E167-R181 IonicContact OE1-NH2 3.65Å; E167-R181 PolarHBondContact OE1-NH2 2.8Å
182M96.1Very high95.2Very high28 Ų2858.3 Ų58.314%0.13828%0.282CS..PPolyproline II helixtrans-87.5137.7169.7-58.6-165.269.800110.4V153 D154 D155 Q184 S186 A191 R194V153-M182 HydrophobicContact CG1-CG 4.19Å; V153-M182 HydrophobicContact CG1-SD 4.23Å; D154-M182 WeakPolarHBondContact O-CB 3.27Å; D154-M182 WeakPolarHBondContact O-CG 3.46Å; D154-M182 PolarHBondContact O-N 3.46Å; D155-M182 HydrophobicContact CB-SD 4.25Å; M182-Q184 VanDerWaalsContact C-N 3.28Å; M182-Q184 PolarHBondContact O-N 3.24Å; M182-S186 WeakPolarHBondContact CE-OG 3.28Å; M182-A191 VanDerWaalsContact SD-CA 3.58Å; M182-A191 HydrophobicContact SD-CB 3.57Å; M182-A191 VanDerWaalsContact SD-CB 3.57Å; M182-R194 HydrophobicContact CE-CG 4.14Å
183E93.8Very high95.3Very high204 Ų20455 Ų5595%0.95326%0.26SS*.SBendtrans-66.5-31.3179.3-65.2176.3179.900112.6
184Q92.9Very high95.3Very high141 Ų14161.5 Ų61.566%0.65928%0.283SS*.SBendtrans-142.9152.7-179.167.1-179.810.500111M182 S186M182-Q184 VanDerWaalsContact C-N 3.28Å; M182-Q184 PolarHBondContact O-N 3.24Å; Q184-S186 PolarHBondContact O-N 3.47Å; Q184-S186 PolarHBondContact O-OG 2.88Å
185R91.6Very high95.5Very high58 Ų5853.1 Ų53.122%0.21924%0.243CC..  trans-60.7105.8174.5-177.3107-178.3-78.4-11.4109.6H124 D155 A156 S352H124-R185 PolarHBondContact CD2-NE 3.02Å; H124-R185 WeakPolarHBondContact CE1-CD 3.35Å; H124-R185 WeakPolarHBondContact ND1-CD 3.16Å; H124-R185 PolarHBondContact NE2-NE 3.37Å; D155-R185 IonicContact OD2-NE 2.7Å; A156-R185 HydrophobicContact CB-CB 4.28Å; R185-S352 PolarHBondContact NH1-O 3.09Å; R185-S352 PolarHBondContact NH1-OG 3.49Å; R185-S352 PolarHBondContact NH2-O 3.17Å
186S90Very high95.7Very high13 Ų1353 Ų539%0.09124%0.243CC..  trans-113.1-15.1-172.7-61.50000112.9D155 M182 Q184D155-S186 PolarHBondContact OD1-N 3.33Å; M182-S186 WeakPolarHBondContact CE-OG 3.28Å; Q184-S186 PolarHBondContact O-N 3.47Å; Q184-S186 PolarHBondContact O-OG 2.88Å
187G90.9Very high95.7Very high0 Ų053.3 Ų53.30%025%0.251CS..BIsolated β-bridgetrans100162.4178.400000114.7D155 I189 R190 A191D155-G187 PolarHBondContact OD1-N 3.26Å; D155-G187 VanDerWaalsContact OD2-CA 3.26Å; D155-G187 WeakPolarHBondContact OD2-CA 3.38Å; D155-G187 PolarHBondContact OD2-N 2.97Å; G187-I189 VanDerWaalsContact C-N 3.28Å; G187-I189 PolarHBondContact O-N 2.86Å; G187-R190 PolarHBondContact O-N 2.97Å; G187-A191 VanDerWaalsContact O-CB 3.28Å; G187-A191 WeakPolarHBondContact O-CB 3.48Å; G187-A191 PolarHBondContact O-N 3.02Å
188L92Very high95.7Very high29 Ų2955.5 Ų55.515%0.15227%0.265CS..Hα-helixtrans-51.9-46.5-179.9177.764.7000111.8V122 A191 R192 I314V122-L188 HydrophobicContact CB-CD1 3.84Å; V122-L188 HydrophobicContact CG1-CD1 3.91Å; V122-L188 HydrophobicContact CG2-CD1 4.25Å; L188-A191 PolarHBondContact O-N 2.9Å; L188-R192 HydrophobicContact CD1-CG 4.22Å; L188-R192 WeakPolarHBondContact O-CB 3.5Å; L188-R192 WeakPolarHBondContact O-CG 3.26Å; L188-R192 PolarHBondContact O-N 3.09Å; L188-I314 WeakPolarHBondContact CB-O 3.44Å; L188-I314 PolarHBondContact N-O 2.75Å
189I93.6Very high95.7Very high1 Ų150.9 Ų50.91%0.00525%0.245CC..Hα-helixtrans-62.1-52.2-174.7-63.8140.3000111.2G187 R192 L193 Y308 M312 E318G187-I189 VanDerWaalsContact C-N 3.28Å; G187-I189 PolarHBondContact O-N 2.86Å; I189-R192 PolarHBondContact O-N 2.88Å; I189-L193 WeakPolarHBondContact O-CG 3.22Å; I189-L193 PolarHBondContact O-N 2.89Å; I189-Y308 HydrophobicContact CG2-CG 4.11Å; I189-M312 HydrophobicContact CD1-CB 3.58Å; I189-E318 HydrophobicContact CD1-CB 4.02Å; I189-E318 HydrophobicContact CD1-CG 4.36Å; I189-E318 HydrophobicContact CG1-CB 3.71Å; I189-E318 HydrophobicContact CG1-CG 3.77Å
190R95.5Very high95.7Very high79 Ų7953.4 Ų53.430%0.29826%0.262SS..Hα-helixtrans-69.7-34.9-179.1-66.2-176-174.8128.48111.8G187 L193 R194 P310 D313G187-R190 PolarHBondContact O-N 2.97Å; R190-L193 PolarHBondContact O-N 3.19Å; R190-R194 WeakPolarHBondContact O-CG 3.34Å; R190-R194 PolarHBondContact O-N 3.07Å; R190-P310 PolarHBondContact NE-O 2.91Å; R190-P310 VanDerWaalsContact NE-O 3.07Å; R190-P310 PolarHBondContact NH2-O 2.93Å; R190-P310 VanDerWaalsContact NH2-O 3.15Å; R190-D313 IonicContact CZ-OD1 3.61Å; R190-D313 VanDerWaalsContact CZ-OD1 3.32Å; R190-D313 IonicContact NH1-OD1 3.38Å; R190-D313 PolarHBondContact NH1-OD1 3.38Å; R190-D313 VanDerWaalsContact NH1-OD1 3.15Å; R190-D313 IonicContact NH2-OD1 2.93Å; R190-D313 PolarHBondContact NH2-OD1 3.27Å
191A97Very high95.7Very high0 Ų051.1 Ų51.10%025%0.251CS..Hα-helixtrans-62.9-43.6172.900000111.8V122 V153 D155 M182 G187 L188 L193 R194 G195V122-A191 HydrophobicContact CB-CB 4.32Å; V122-A191 HydrophobicContact CG1-CB 3.46Å; V122-A191 VanDerWaalsContact CG1-CB 3.46Å; V122-A191 HydrophobicContact CG2-CB 3.84Å; V153-A191 HydrophobicContact CG1-CB 3.91Å; D155-A191 HydrophobicContact CB-CB 4.18Å; M182-A191 VanDerWaalsContact SD-CA 3.58Å; M182-A191 HydrophobicContact SD-CB 3.57Å; M182-A191 VanDerWaalsContact SD-CB 3.57Å; G187-A191 VanDerWaalsContact O-CB 3.28Å; G187-A191 WeakPolarHBondContact O-CB 3.48Å; G187-A191 PolarHBondContact O-N 3.02Å; L188-A191 PolarHBondContact O-N 2.9Å; A191-L193 PolarHBondContact O-N 3.07Å; A191-R194 PolarHBondContact O-N 2.83Å; A191-G195 PolarHBondContact O-N 2.8Å
192R97.5Very high95.7Very high2 Ų252.7 Ų52.71%0.00826%0.261CS..Hα-helixtrans-62-42.3174-76.8-172.9179.9172-1.7112.4V122 L188 I189 R194 G195 A196 F206 D208 G292 G293 Y308V122-R192 HydrophobicContact CG2-CB 4.41Å; V122-R192 HydrophobicContact CG2-CG 3.57Å; L188-R192 HydrophobicContact CD1-CG 4.22Å; L188-R192 WeakPolarHBondContact O-CB 3.5Å; L188-R192 WeakPolarHBondContact O-CG 3.26Å; L188-R192 PolarHBondContact O-N 3.09Å; I189-R192 PolarHBondContact O-N 2.88Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-R194 PolarHBondContact O-N 3.38Å; R192-G195 PolarHBondContact O-N 3.49Å; R192-A196 VanDerWaalsContact O-CB 3.23Å; R192-A196 WeakPolarHBondContact O-CB 3.48Å; R192-A196 PolarHBondContact O-N 2.83Å; R192-F206 HydrophobicContact CB-CD1 4.24Å; R192-F206 HydrophobicContact CB-CE1 3.77Å; R192-F206 HydrophobicContact CG-CD1 3.83Å; R192-F206 HydrophobicContact CG-CE1 3.89Å; R192-D208 IonicContact NH2-OD1 3.56Å; R192-D208 PolarHBondContact NH2-OD1 2.9Å; R192-D208 VanDerWaalsContact NH2-OD1 3.17Å; R192-G292 PolarHBondContact NH1-O 2.81Å; R192-G292 PolarHBondContact NH2-O 3.4Å; R192-G293 VanDerWaalsContact NH2-CA 3.35Å; R192-G293 PolarHBondContact NH2-O 3.31Å; R192-Y308 HydrophobicContact CB-CD2 4.38Å; R192-Y308 HydrophobicContact CB-CE2 4.12Å; R192-Y308 PolarHBondContact NH1-OH 3.44Å
193L97.2Very high95.9Very high38 Ų3851.3 Ų51.320%0.19926%0.255CS..Hα-helixtrans-58.8-45.1174.3-74.3173.8000111.9I189 R190 A191 A196 A197 F302 S307 Y308 P310I189-L193 WeakPolarHBondContact O-CG 3.22Å; I189-L193 PolarHBondContact O-N 2.89Å; R190-L193 PolarHBondContact O-N 3.19Å; A191-L193 PolarHBondContact O-N 3.07Å; L193-A196 PolarHBondContact O-N 2.91Å; L193-A197 WeakPolarHBondContact O-CB 3.3Å; L193-A197 PolarHBondContact O-N 2.93Å; L193-F302 HydrophobicContact CD2-CZ 4.28Å; L193-S307 VanDerWaalsContact CD2-CB 3.47Å; L193-Y308 HydrophobicContact CD2-CD2 4.49Å; L193-P310 HydrophobicContact CD1-CB 4.14Å
194R97.7Very high96.1Very high165 Ų16541.6 Ų41.662%0.62321%0.209SC*.Hα-helixtrans-63.9-43.4176.9-76.4-61.3-150175.17.5112.3L180 M182 R190 A191 R192 A197L180-R194 HydrophobicContact CD2-CB 3.86Å; M182-R194 HydrophobicContact CE-CG 4.14Å; R190-R194 WeakPolarHBondContact O-CG 3.34Å; R190-R194 PolarHBondContact O-N 3.07Å; A191-R194 PolarHBondContact O-N 2.83Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-R194 PolarHBondContact O-N 3.38Å; R194-A197 PolarHBondContact O-N 3.38Å
195G97.9Very high96.4Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-62.2-48.2175.200000112.3A191 R192 A197 V198 T199A191-G195 PolarHBondContact O-N 2.8Å; R192-G195 PolarHBondContact O-N 3.49Å; G195-A197 VanDerWaalsContact C-N 3.28Å; G195-A197 PolarHBondContact O-N 2.96Å; G195-V198 WeakPolarHBondContact O-CG2 3.46Å; G195-V198 PolarHBondContact O-N 3.4Å; G195-T199 WeakPolarHBondContact O-CG2 3.31Å; G195-T199 PolarHBondContact O-N 3.13Å
196A97.8Very high96.7Very high3 Ų332.3 Ų32.33%0.02517%0.168CC..Hα-helixtrans-58.7-37.717800000112.9R192 L193 V198 T199 I204 F206 F302R192-A196 VanDerWaalsContact O-CB 3.23Å; R192-A196 WeakPolarHBondContact O-CB 3.48Å; R192-A196 PolarHBondContact O-N 2.83Å; L193-A196 PolarHBondContact O-N 2.91Å; A196-V198 PolarHBondContact O-N 2.88Å; A196-T199 PolarHBondContact O-N 3.39Å; A196-T199 PolarHBondContact O-OG1 3.04Å; A196-I204 HydrophobicContact CB-CD1 3.8Å; A196-F206 HydrophobicContact CB-CZ 4.08Å; A196-F302 HydrophobicContact CB-CD1 4.31Å; A196-F302 HydrophobicContact CB-CE1 3.66Å; A196-F302 HydrophobicContact CB-CZ 4.44Å
197A97.6Very high97.1Very high73 Ų7331.8 Ų31.860%0.60317%0.165SC*.Hα-helixtrans-65.5-24.7-179.400000113.7L193 R194 G195L193-A197 WeakPolarHBondContact O-CB 3.3Å; L193-A197 PolarHBondContact O-N 2.93Å; R194-A197 PolarHBondContact O-N 3.38Å; G195-A197 VanDerWaalsContact C-N 3.28Å; G195-A197 PolarHBondContact O-N 2.96Å
198V98.1Very high97.5Very high66 Ų6633 Ų3340%0.417%0.172SC..Hα-helixtrans-102.9-1.4-176.6-57.30000113.8V151 L180 G195 A196V151-V198 HydrophobicContact CG1-CG2 3.82Å; V151-V198 HydrophobicContact CG2-CG2 4.47Å; L180-V198 HydrophobicContact CD2-CG2 4.26Å; G195-V198 WeakPolarHBondContact O-CG2 3.46Å; G195-V198 PolarHBondContact O-N 3.4Å; A196-V198 PolarHBondContact O-N 2.88Å
199T98.3Very high97.8Very high4 Ų431.8 Ų31.83%0.02517%0.165CC..  trans-68.6150.9177.259.10000111.5S118 V120 V151 G195 A196 I204 K299S118-T199 VanDerWaalsContact CB-CB 3.5Å; V120-T199 HydrophobicContact CG2-CG2 3.5Å; V120-T199 VanDerWaalsContact CG2-CG2 3.5Å; V151-T199 HydrophobicContact CG2-CG2 4.35Å; G195-T199 WeakPolarHBondContact O-CG2 3.31Å; G195-T199 PolarHBondContact O-N 3.13Å; A196-T199 PolarHBondContact O-N 3.39Å; A196-T199 PolarHBondContact O-OG1 3.04Å; T199-I204 HydrophobicContact CG2-CG1 4.47Å; T199-I204 HydrophobicContact CG2-CG2 4.39Å; T199-K299 PolarHBondContact O-NZ 2.99Å
200T98.1Very high98Very high91 Ų9132.8 Ų32.856%0.55817%0.17SC*.  trans-116.7-10.6178.460.10000113.9S118 V148 E149S118-T200 PolarHBondContact OG-N 2.99Å; V148-T200 WeakPolarHBondContact CG1-OG1 3.47Å; E149-T200 WeakPolarHBondContact OE1-CB 3.42Å; E149-T200 PolarHBondContact OE1-N 2.68Å; E149-T200 PolarHBondContact OE1-OG1 3.17Å
201G98.1Very high98.1Very high3 Ų329 Ų293%0.03116%0.156CC..SBendtrans-71.1159175.700000113.5N116 S118 V203N116-G201 WeakPolarHBondContact OD1-CA 3.22Å; S118-G201 PolarHBondContact OG-N 2.95Å; G201-V203 VanDerWaalsContact C-N 3.34Å
202Q98.8Very high98.2Very high108 Ų10829.2 Ų29.251%0.50516%0.157SC..SBendtrans-69.2-35.7175.9-63.7172.8-79.700111.4P115 N116 K299P115-Q202 HydrophobicContact CB-CB 4.06Å; N116-Q202 VanDerWaalsContact N-OE1 3.14Å; N116-Q202 PolarHBondContact O-N 3.05Å; N116-Q202 PolarHBondContact OD1-N 2.87Å; Q202-K299 VanDerWaalsContact O-CB 3.29Å; Q202-K299 WeakPolarHBondContact O-CB 3.4Å; Q202-K299 PolarHBondContact O-N 3.24Å
203V98.9Very high98.3Very high0 Ų029.1 Ų29.10%016%0.156CC..EExtended strand (participates in β ladder)trans-108.8147.2174.4173.20000109.9P115 N116 T117 S118 G201 L222 I225 I297P115-V203 HydrophobicContact CB-CG2 4Å; P115-V203 HydrophobicContact CG-CG2 3.9Å; N116-V203 PolarHBondContact O-N 3.2Å; T117-V203 VanDerWaalsContact CA-O 3.3Å; T117-V203 WeakPolarHBondContact CA-O 3.37Å; T117-V203 PolarHBondContact OG1-O 3.14Å; S118-V203 PolarHBondContact N-O 3.26Å; G201-V203 VanDerWaalsContact C-N 3.34Å; V203-L222 HydrophobicContact CB-CD2 3.91Å; V203-L222 HydrophobicContact CG1-CD2 3.76Å; V203-L222 HydrophobicContact CG2-CD2 3.99Å; V203-I225 HydrophobicContact CG1-CD1 3.65Å; V203-I225 HydrophobicContact CG2-CD1 4.04Å; V203-I225 HydrophobicContact CG2-CG2 3.93Å; V203-I297 WeakPolarHBondContact CG1-O 3.46Å
204I98.9Very high98.3Very high0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans-106.4124.5166.5-50.8174.5000107.8V120 A196 T199 F206 S296 I297 K299 F302V120-I204 HydrophobicContact CB-CG2 4.45Å; V120-I204 HydrophobicContact CG2-CG2 3.75Å; A196-I204 HydrophobicContact CB-CD1 3.8Å; T199-I204 HydrophobicContact CG2-CG1 4.47Å; T199-I204 HydrophobicContact CG2-CG2 4.39Å; I204-F206 HydrophobicContact CB-CE2 4.1Å; I204-F206 HydrophobicContact CB-CZ 4.48Å; I204-F206 HydrophobicContact CG2-CD2 3.96Å; I204-F206 HydrophobicContact CG2-CE1 4.06Å; I204-F206 HydrophobicContact CG2-CE2 3.46Å; I204-F206 VanDerWaalsContact CG2-CE2 3.46Å; I204-F206 HydrophobicContact CG2-CG 4.48Å; I204-F206 HydrophobicContact CG2-CZ 3.54Å; I204-S296 VanDerWaalsContact O-CA 3.3Å; I204-S296 WeakPolarHBondContact O-CA 3.34Å; I204-I297 HydrophobicContact CB-CG2 4.41Å; I204-I297 PolarHBondContact N-O 2.85Å; I204-I297 PolarHBondContact O-N 3.43Å; I204-K299 HydrophobicContact CD1-CB 4.18Å; I204-K299 HydrophobicContact CD1-CG 3.99Å; I204-K299 HydrophobicContact CG1-CB 3.99Å; I204-K299 HydrophobicContact CG1-CG 4.23Å; I204-F302 HydrophobicContact CD1-CD1 4.1Å
205T98.9Very high98.3Very high2 Ų223.3 Ų23.31%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-112114.4172.4-58.40000109.3T117 S118 I119 V120 W217 F295 S296T117-T205 PolarHBondContact OG1-N 2.83Å; T117-T205 PolarHBondContact OG1-OG1 3.04Å; S118-T205 PolarHBondContact O-N 3.22Å; I119-T205 CarbonylContact C-O 3.55Å; I119-T205 VanDerWaalsContact CA-O 3.29Å; I119-T205 WeakPolarHBondContact CA-O 3.32Å; I119-T205 HydrophobicContact CD1-CG2 3.85Å; V120-T205 PolarHBondContact N-O 2.93Å; T205-W217 HydrophobicContact CG2-CH2 3.81Å; T205-W217 HydrophobicContact CG2-CZ3 3.97Å; T205-F295 CarbonylContact C-O 3.55Å; T205-F295 WeakPolarHBondContact CA-O 3.15Å; T205-S296 WeakPolarHBondContact CB-OG 3.46Å; T205-S296 VanDerWaalsContact CG2-OG 3.26Å; T205-S296 WeakPolarHBondContact CG2-OG 3.37Å; T205-S296 PolarHBondContact OG1-OG 3.14Å
206F98.8Very high98.2Very high1 Ų123.7 Ų23.70%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-88.5134.8176.2-64.3-85.9000110.2V120 R192 A196 I204 L294 F295 I297 F302V120-F206 HydrophobicContact CB-CD1 3.76Å; V120-F206 HydrophobicContact CB-CE1 3.91Å; V120-F206 HydrophobicContact CG1-CD1 3.9Å; V120-F206 HydrophobicContact CG1-CE1 3.88Å; V120-F206 HydrophobicContact CG2-CE1 4.33Å; V120-F206 WeakPolarHBondContact O-CA 3.48Å; R192-F206 HydrophobicContact CB-CD1 4.24Å; R192-F206 HydrophobicContact CB-CE1 3.77Å; R192-F206 HydrophobicContact CG-CD1 3.83Å; R192-F206 HydrophobicContact CG-CE1 3.89Å; A196-F206 HydrophobicContact CB-CZ 4.08Å; I204-F206 HydrophobicContact CB-CE2 4.1Å; I204-F206 HydrophobicContact CB-CZ 4.48Å; I204-F206 HydrophobicContact CG2-CD2 3.96Å; I204-F206 HydrophobicContact CG2-CE1 4.06Å; I204-F206 HydrophobicContact CG2-CE2 3.46Å; I204-F206 VanDerWaalsContact CG2-CE2 3.46Å; I204-F206 HydrophobicContact CG2-CG 4.48Å; I204-F206 HydrophobicContact CG2-CZ 3.54Å; F206-L294 WeakPolarHBondContact O-CA 3.36Å; F206-F295 HydrophobicContact CB-CD1 4.28Å; F206-F295 HydrophobicContact CB-CE1 4.01Å; F206-F295 HydrophobicContact CB-CZ 4.35Å; F206-F295 HydrophobicContact CD2-CD1 4.37Å; F206-F295 HydrophobicContact CD2-CD2 4.09Å; F206-F295 AromaticContact CD2-CE1 3.72Å; F206-F295 HydrophobicContact CD2-CE1 3.72Å; F206-F295 AromaticContact CD2-CE2 3.38Å; F206-F295 HydrophobicContact CD2-CE2 3.38Å; F206-F295 AromaticContact CD2-CZ 3.17Å; F206-F295 HydrophobicContact CD2-CZ 3.17Å; F206-F295 HydrophobicContact CE2-CE1 4.46Å; F206-F295 AromaticContact CE2-CE2 3.68Å; F206-F295 HydrophobicContact CE2-CE2 3.68Å; F206-F295 AromaticContact CE2-CZ 3.55Å; F206-F295 HydrophobicContact CE2-CZ 3.55Å; F206-F295 HydrophobicContact CG-CE1 4.05Å; F206-F295 HydrophobicContact CG-CE2 4.45Å; F206-F295 AromaticContact CG-CZ 3.92Å; F206-F295 HydrophobicContact CG-CZ 3.92Å; F206-F295 PolarHBondContact N-O 2.77Å; F206-F295 PolarHBondContact O-N 2.98Å; F206-I297 HydrophobicContact CE2-CG2 4.31Å; F206-F302 HydrophobicContact CZ-CZ 4.36Å
207L98.8Very high98.3Very high2 Ų223.6 Ų23.61%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-133.4150.2170.7-65.2177000109.6I119 V120 I121 V138 W217 L294 V341I119-L207 HydrophobicContact CG2-CD1 3.87Å; I119-L207 HydrophobicContact CG2-CG 4.22Å; V120-L207 PolarHBondContact O-N 3.49Å; I121-L207 WeakPolarHBondContact CA-O 3.35Å; I121-L207 HydrophobicContact CG1-CB 4.22Å; V138-L207 HydrophobicContact CG2-CD1 3.47Å; V138-L207 VanDerWaalsContact CG2-CD1 3.47Å; L207-W217 HydrophobicContact CD1-CH2 3.88Å; L207-W217 HydrophobicContact CD1-CZ3 4.43Å; L207-W217 HydrophobicContact CD2-CH2 4.37Å; L207-W217 HydrophobicContact CD2-CZ3 4.13Å; L207-W217 HydrophobicContact CG-CH2 4.44Å; L207-L294 HydrophobicContact CD2-CB 4.32Å; L207-L294 HydrophobicContact CD2-CD2 3.74Å; L207-L294 HydrophobicContact CD2-CG 3.93Å; L207-V341 HydrophobicContact CD2-CG1 4.28Å
208D97.9Very high98.3Very high27 Ų2720.1 Ų20.114%0.14411%0.114CC..EExtended strand (participates in β ladder)trans-80.2158.9168.6-66.7-24.7000110.3R192 H210 C211 G293 H343R192-D208 IonicContact NH2-OD1 3.56Å; R192-D208 PolarHBondContact NH2-OD1 2.9Å; R192-D208 VanDerWaalsContact NH2-OD1 3.17Å; D208-H210 PolarHBondContact O-N 3.32Å; D208-C211 PolarHBondContact O-SG 2.88Å; D208-G293 WeakPolarHBondContact OD2-CA 3.4Å; D208-H343 IonicContact OD2-CD2 2.79Å; D208-H343 IonicContact OD2-NE2 2.92Å
209A98Very high98.4Very high2 Ų219 Ų192%0.01711%0.105CC..THydrogen-bonded Turntrans-75.79.6-17200000115.4I121 F123 E126 T130 L131 T134I121-A209 HydrophobicContact CG2-CB 3.79Å; F123-A209 HydrophobicContact CB-CB 3.68Å; E126-A209 HydrophobicContact CB-CB 4.33Å; E126-A209 HydrophobicContact CG-CB 3.8Å; T130-A209 CarbonylContact C-O 3.55Å; L131-A209 VanDerWaalsContact CA-O 3.3Å; L131-A209 WeakPolarHBondContact CA-O 3.45Å; L131-A209 HydrophobicContact CD1-CB 3.99Å; L131-A209 PolarHBondContact N-O 2.72Å; T134-A209 VanDerWaalsContact OG1-C 3.23Å; T134-A209 PolarHBondContact OG1-O 2.75Å; T134-A209 VanDerWaalsContact OG1-O 3.13Å
210H98.1Very high98.4Very high22 Ų2219 Ų1910%0.10211%0.105CC..THydrogen-bonded Turntrans-141.853.5-177.439.7-88.1000109.5E126 T134 D208 H343 V344 R346E126-H210 IonicContact OE2-CE1 3.53Å; E126-H210 PolarHBondContact OE2-CE1 3.48Å; E126-H210 IonicContact OE2-CG 2.77Å; E126-H210 IonicContact OE2-ND1 3.86Å; E126-H210 PolarHBondContact OE2-ND1 3.24Å; T134-H210 PolarHBondContact OG1-N 2.83Å; D208-H210 PolarHBondContact O-N 3.32Å; H210-H343 AromaticContact CD2-CD2 3.91Å; H210-H343 AromaticContact CD2-NE2 3.51Å; H210-H343 AromaticContact NE2-NE2 3.36Å; H210-H343 PolarHBondContact NE2-NE2 3.02Å; H210-V344 HydrophobicContact CB-CB 4.23Å; H210-V344 HydrophobicContact CB-CG2 4.18Å; H210-V344 PolarHBondContact O-N 3.36Å; H210-V344 VanDerWaalsContact O-N 3.13Å; H210-R346 PolarHBondContact CE1-NH2 3.04Å; H210-R346 PolarHBondContact ND1-NH2 3.49Å
211C98.6Very high98.4Very high0 Ų014.8 Ų14.80%08%0.079CC..EExtended strand (participates in β ladder)trans-118.8155.7-179.4-71.50000111.6T134 D208 V341 G342T134-C211 WeakPolarHBondContact CA-O 3.45Å; T134-C211 WeakPolarHBondContact CB-O 3.38Å; T134-C211 HydrophobicContact CG2-CB 3.98Å; T134-C211 PolarHBondContact OG1-N 3.27Å; T134-C211 PolarHBondContact OG1-O 3.11Å; T134-C211 VanDerWaalsContact OG1-O 3.06Å; D208-C211 PolarHBondContact O-SG 2.88Å; C211-V341 HydrophobicContact CB-CG1 3.97Å; C211-G342 CarbonylContact C-O 3.52Å; C211-G342 WeakPolarHBondContact CA-O 3.4Å; C211-G342 WeakPolarHBondContact CB-O 3.39Å
212E98.8Very high98.5Very high5 Ų514.6 Ų14.62%0.0238%0.077CC..EExtended strand (participates in β ladder)trans-135.9114.4168.6-58.1179.8-132.200110.2R95 L97 R133 S137 I240 G342R95-E212 IonicContact CZ-OE1 3.43Å; R95-E212 VanDerWaalsContact CZ-OE1 3.32Å; R95-E212 IonicContact CZ-OE2 3.71Å; R95-E212 IonicContact NE-OE1 2.72Å; R95-E212 PolarHBondContact NE-OE1 2.91Å; R95-E212 IonicContact NE-OE2 2.73Å; R95-E212 PolarHBondContact NE-OE2 2.88Å; R95-E212 IonicContact NH2-OE1 2.68Å; R95-E212 PolarHBondContact NH2-OE1 2.87Å; R95-E212 IonicContact NH2-OE2 3.42Å; L97-E212 HydrophobicContact CD1-CB 3.8Å; R133-E212 WeakPolarHBondContact CD-OE1 3.32Å; R133-E212 WeakPolarHBondContact CD-OE2 3.46Å; R133-E212 HydrophobicContact CG-CG 4.02Å; S137-E212 WeakPolarHBondContact OG-CA 3.46Å; E212-I240 HydrophobicContact CB-CD1 3.98Å; E212-I240 HydrophobicContact CG-CD1 3.82Å; E212-G342 PolarHBondContact N-O 3.23Å; E212-G342 PolarHBondContact O-N 2.94Å
213C98.6Very high98.5Very high0 Ų09.8 Ų9.80%06%0.056CC..EExtended strand (participates in β ladder)trans-71.1145.3176.5-57.60000111.1S137 R141 W217S137-C213 PolarHBondContact OG-N 3.06Å; S137-C213 PolarHBondContact OG-O 3.16Å; R141-C213 WeakPolarHBondContact CD-O 3.28Å; R141-C213 PolarHBondContact NE-O 3.49Å; R141-C213 PolarHBondContact NH1-O 2.99Å; C213-W217 HydrophobicContact CB-CD2 3.74Å; C213-W217 HydrophobicContact CB-CE3 4.49Å; C213-W217 HydrophobicContact CB-CG 3.7Å; C213-W217 HydrophobicContact CB-CZ2 4.38Å
214T98.1Very high98.4Very high0 Ų011.9 Ų11.90%06%0.064CC..  trans-93.1174.817262.80000112.1L97 V100 W217 Y247 H340L97-T214 HydrophobicContact CD1-CG2 4.32Å; V100-T214 HydrophobicContact CG2-CG2 4.39Å; T214-W217 WeakPolarHBondContact O-CB 3.47Å; T214-W217 VanDerWaalsContact O-CD1 3.23Å; T214-Y247 HydrophobicContact CG2-CE1 4.47Å; T214-Y247 HydrophobicContact CG2-CE2 4.28Å; T214-Y247 WeakPolarHBondContact CG2-OH 3.35Å; T214-H340 HydrophobicContact CG2-CB 3.96Å; T214-H340 PolarHBondContact N-O 2.74Å; T214-H340 VanDerWaalsContact N-O 3.16Å; T214-H340 WeakPolarHBondContact OG1-CB 3.12Å; T214-H340 PolarHBondContact OG1-O 3.17Å
215V97.1Very high98.4Very high80 Ų8012.1 Ų12.149%0.4857%0.065SC..THydrogen-bonded Turntrans-66.3132.2175.6174.20000109.9R101 W217R101-V215 WeakPolarHBondContact CD-O 3.46Å; R101-V215 PolarHBondContact NE-O 3.39Å; V215-W217 VanDerWaalsContact C-N 3.32Å
216G97Very high98.4Very high8 Ų816.7 Ų16.78%0.0828%0.082CC..THydrogen-bonded Turntrans71.924.2178.200000113.9E219 P220G216-E219 WeakPolarHBondContact CA-OE2 3.49Å; G216-P220 WeakPolarHBondContact O-CD 3.45Å; G216-P220 VanDerWaalsContact O-CG 3.27Å; G216-P220 WeakPolarHBondContact O-CG 3.35Å
217W98.6Very high98.4Very high1 Ų123.3 Ų23.30%0.00411%0.113CC..  trans-73.2-29.1-179.178.8-72.3000113I119 V138 R141 S142 T205 L207 C213 T214 V215 L221 S339 V341I119-W217 HydrophobicContact CD1-CH2 4.22Å; V138-W217 HydrophobicContact CG2-CZ2 4.44Å; R141-W217 PolarHBondContact O-NE1 2.85Å; S142-W217 PolarHBondContact OG-NE1 2.86Å; T205-W217 HydrophobicContact CG2-CH2 3.81Å; T205-W217 HydrophobicContact CG2-CZ3 3.97Å; L207-W217 HydrophobicContact CD1-CH2 3.88Å; L207-W217 HydrophobicContact CD1-CZ3 4.43Å; L207-W217 HydrophobicContact CD2-CH2 4.37Å; L207-W217 HydrophobicContact CD2-CZ3 4.13Å; L207-W217 HydrophobicContact CG-CH2 4.44Å; C213-W217 HydrophobicContact CB-CD2 3.74Å; C213-W217 HydrophobicContact CB-CE3 4.49Å; C213-W217 HydrophobicContact CB-CG 3.7Å; C213-W217 HydrophobicContact CB-CZ2 4.38Å; T214-W217 WeakPolarHBondContact O-CB 3.47Å; T214-W217 VanDerWaalsContact O-CD1 3.23Å; V215-W217 VanDerWaalsContact C-N 3.32Å; W217-L221 HydrophobicContact CE3-CD1 3.94Å; W217-L221 HydrophobicContact CZ3-CD1 4Å; W217-L221 WeakPolarHBondContact O-CG 3.39Å; W217-S339 VanDerWaalsContact O-CB 3.24Å; W217-S339 WeakPolarHBondContact O-CB 3.27Å; W217-S339 PolarHBondContact O-OG 3.26Å; W217-V341 HydrophobicContact CD2-CG2 4.16Å; W217-V341 HydrophobicContact CE3-CG2 3.44Å; W217-V341 VanDerWaalsContact CE3-CG2 3.44Å; W217-V341 HydrophobicContact CZ3-CG2 4.03Å
218L98.8Very high98.4Very high0 Ų026 Ų260%013%0.127CC..SBendtrans-92.1-44.7-164.5-178.758.8000112.6T117 L146 L221 L222T117-L218 HydrophobicContact CG2-CD1 3.98Å; T117-L218 HydrophobicContact CG2-CD2 3.97Å; L146-L218 HydrophobicContact CB-CD2 4.28Å; L218-L221 WeakPolarHBondContact O-CB 3.4Å; L218-L221 PolarHBondContact O-N 3.45Å; L218-L222 HydrophobicContact CD1-CD1 3.85Å; L218-L222 HydrophobicContact CD1-CD2 4.3Å; L218-L222 HydrophobicContact CD1-CG 3.92Å; L218-L222 HydrophobicContact CD2-CD1 4.03Å; L218-L222 HydrophobicContact CG-CD1 3.6Å; L218-L222 HydrophobicContact CG-CG 4.1Å; L218-L222 PolarHBondContact O-N 2.93Å; L218-L222 VanDerWaalsContact O-N 3.11Å
219E98.6Very high98.4Very high44 Ų4428.7 Ų28.721%0.20614%0.135CC..Hα-helixtrans-54-44.5-177.5-53.391.8137.600112.9Y110 L114 P143 L146 G216 L221 L222 A223Y110-E219 HydrophobicContact CD2-CB 3.75Å; Y110-E219 HydrophobicContact CE2-CB 4.28Å; Y110-E219 HydrophobicContact CG-CB 4.14Å; L114-E219 HydrophobicContact CD1-CB 4.04Å; L114-E219 HydrophobicContact CD1-CG 4.44Å; P143-E219 HydrophobicContact CG-CG 3.93Å; P143-E219 VanDerWaalsContact CG-OE1 3.31Å; P143-E219 WeakPolarHBondContact CG-OE1 3.49Å; L146-E219 HydrophobicContact CD1-CG 4.25Å; G216-E219 WeakPolarHBondContact CA-OE2 3.49Å; E219-L221 VanDerWaalsContact C-N 3.3Å; E219-L221 PolarHBondContact O-N 2.96Å; E219-L222 PolarHBondContact O-N 3.09Å; E219-A223 VanDerWaalsContact O-CB 3.22Å; E219-A223 WeakPolarHBondContact O-CB 3.41Å; E219-A223 PolarHBondContact O-N 3.15Å
220P98.7Very high98.4Very high4 Ų434.6 Ų34.63%0.02616%0.157CC..Hα-helixtrans-63.2-34.4177.7-15.827.7000113.2Y110 G216 R224 I336 C338Y110-P220 HydrophobicContact CE1-CB 4.02Å; Y110-P220 HydrophobicContact CE1-CG 4.33Å; Y110-P220 HydrophobicContact CE2-CG 3.95Å; Y110-P220 WeakPolarHBondContact OH-CB 3.26Å; Y110-P220 WeakPolarHBondContact OH-CG 3.31Å; G216-P220 WeakPolarHBondContact O-CD 3.45Å; G216-P220 VanDerWaalsContact O-CG 3.27Å; G216-P220 WeakPolarHBondContact O-CG 3.35Å; P220-R224 PolarHBondContact O-N 3.36Å; P220-I336 HydrophobicContact CB-CG2 3.53Å; P220-C338 HydrophobicContact CB-CB 4.13Å; P220-C338 HydrophobicContact CG-CB 4.03Å
221L98.9Very high98.5Very high1 Ų133.6 Ų33.61%0.00515%0.152CC..Hα-helixtrans-68.3-49.8178.5-58.1174.2000110W217 L218 E219 R224 I225 V233 I336 S339W217-L221 HydrophobicContact CE3-CD1 3.94Å; W217-L221 HydrophobicContact CZ3-CD1 4Å; W217-L221 WeakPolarHBondContact O-CG 3.39Å; L218-L221 WeakPolarHBondContact O-CB 3.4Å; L218-L221 PolarHBondContact O-N 3.45Å; E219-L221 VanDerWaalsContact C-N 3.3Å; E219-L221 PolarHBondContact O-N 2.96Å; L221-R224 PolarHBondContact O-N 3.36Å; L221-I225 PolarHBondContact O-N 2.67Å; L221-V233 HydrophobicContact CB-CG2 3.94Å; L221-V233 HydrophobicContact CD2-CB 4.33Å; L221-V233 HydrophobicContact CD2-CG2 4.02Å; L221-I336 HydrophobicContact CD2-CB 3.88Å; L221-I336 HydrophobicContact CD2-CG1 3.69Å; L221-S339 WeakPolarHBondContact CG-OG 3.45Å
222L98.9Very high98.5Very high0 Ų033.6 Ų33.60%015%0.152CC..Hα-helixtrans-68.8-37-177.6-60.1176.9000112.2L114 P115 T117 L146 V203 L218 E219 R224 I225 R226L114-L222 HydrophobicContact CB-CB 4.29Å; L114-L222 HydrophobicContact CD1-CB 4.33Å; P115-L222 HydrophobicContact CG-CB 4.29Å; P115-L222 WeakPolarHBondContact O-CD1 3.43Å; T117-L222 HydrophobicContact CG2-CD1 4.42Å; T117-L222 HydrophobicContact CG2-CD2 4.48Å; L146-L222 HydrophobicContact CB-CD1 4.03Å; L146-L222 HydrophobicContact CD1-CD1 3.95Å; L146-L222 HydrophobicContact CG-CD1 4.38Å; V203-L222 HydrophobicContact CB-CD2 3.91Å; V203-L222 HydrophobicContact CG1-CD2 3.76Å; V203-L222 HydrophobicContact CG2-CD2 3.99Å; L218-L222 HydrophobicContact CD1-CD1 3.85Å; L218-L222 HydrophobicContact CD1-CD2 4.3Å; L218-L222 HydrophobicContact CD1-CG 3.92Å; L218-L222 HydrophobicContact CD2-CD1 4.03Å; L218-L222 HydrophobicContact CG-CD1 3.6Å; L218-L222 HydrophobicContact CG-CG 4.1Å; L218-L222 PolarHBondContact O-N 2.93Å; L218-L222 VanDerWaalsContact O-N 3.11Å; E219-L222 PolarHBondContact O-N 3.09Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.98Å; L222-I225 PolarHBondContact O-N 3.22Å; L222-R226 WeakPolarHBondContact O-CB 3.2Å; L222-R226 PolarHBondContact O-N 3.22Å
223A98.7Very high98.5Very high6 Ų633.3 Ų33.35%0.0515%0.151CC..Hα-helixtrans-59.4-41.6173.800000111.6Y110 L114 E219 R226 E227Y110-A223 HydrophobicContact CD1-CB 3.54Å; Y110-A223 HydrophobicContact CE1-CB 4.22Å; Y110-A223 HydrophobicContact CG-CB 4.34Å; L114-A223 HydrophobicContact CD2-CB 3.89Å; E219-A223 VanDerWaalsContact O-CB 3.22Å; E219-A223 WeakPolarHBondContact O-CB 3.41Å; E219-A223 PolarHBondContact O-N 3.15Å; A223-R226 WeakPolarHBondContact O-CB 3.32Å; A223-R226 PolarHBondContact O-N 2.92Å; A223-E227 WeakPolarHBondContact O-CG 3.41Å; A223-E227 PolarHBondContact O-N 2.87Å; A223-E227 VanDerWaalsContact O-N 3.1Å
224R98.7Very high98.5Very high45 Ų4533.7 Ų33.717%0.1715%0.154CC..Hα-helixtrans-69-40.1179.3-175.661.9-171.6125.119112.9P220 L221 L222 R226 E227 D228 A231 V233 E334 I336P220-R224 PolarHBondContact O-N 3.36Å; L221-R224 PolarHBondContact O-N 3.36Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.98Å; R224-R226 VanDerWaalsContact C-N 3.28Å; R224-R226 PolarHBondContact O-N 3.13Å; R224-E227 WeakPolarHBondContact CD-OE2 3.45Å; R224-E227 IonicContact CZ-OE2 3.65Å; R224-E227 IonicContact NE-OE2 3.51Å; R224-E227 IonicContact NH1-OE2 2.88Å; R224-E227 PolarHBondContact NH1-OE2 2.75Å; R224-E227 PolarHBondContact O-N 3.09Å; R224-D228 IonicContact NH2-OD2 3.17Å; R224-D228 PolarHBondContact O-N 2.92Å; R224-D228 VanDerWaalsContact O-N 3.08Å; R224-A231 HydrophobicContact CG-CB 4.38Å; R224-V233 HydrophobicContact CB-CG1 4Å; R224-V233 HydrophobicContact CG-CG1 3.66Å; R224-E334 IonicContact CZ-OE1 3.94Å; R224-E334 IonicContact CZ-OE2 3.96Å; R224-E334 IonicContact NE-OE1 3.62Å; R224-E334 IonicContact NE-OE2 2.85Å; R224-E334 PolarHBondContact NE-OE2 3.44Å; R224-E334 IonicContact NH2-OE1 3.6Å; R224-E334 PolarHBondContact NH2-OE1 2.79Å; R224-E334 IonicContact NH2-OE2 3.82Å; R224-I336 HydrophobicContact CB-CD1 3.92Å; R224-I336 HydrophobicContact CG-CD1 3.81Å
225I98.8Very high98.5Very high5 Ų533.9 Ų33.93%0.02616%0.155CC..Hα-helixtrans-65.5-34.7174.9-65.5168.8000111.1V203 L221 L222 D228 R229 V233 D298V203-I225 HydrophobicContact CG1-CD1 3.65Å; V203-I225 HydrophobicContact CG2-CD1 4.04Å; V203-I225 HydrophobicContact CG2-CG2 3.93Å; L221-I225 PolarHBondContact O-N 2.67Å; L222-I225 PolarHBondContact O-N 3.22Å; I225-D228 CarbonylContact O-C 3.04Å; I225-D228 PolarHBondContact O-N 2.99Å; I225-D228 VanDerWaalsContact O-O 3.12Å; I225-R229 WeakPolarHBondContact O-CA 3.25Å; I225-R229 PolarHBondContact O-N 2.79Å; I225-R229 VanDerWaalsContact O-N 3.12Å; I225-V233 HydrophobicContact CD1-CG2 3.76Å; I225-V233 HydrophobicContact CG1-CG1 4.38Å; I225-V233 HydrophobicContact CG1-CG2 3.79Å; I225-D298 HydrophobicContact CG2-CB 3.96Å
226R98.4Very high98.6Very high97 Ų9730.4 Ų30.437%0.36613%0.134SC..Hα-helixtrans-62.6-43174.6179.4-174162.1176.1-4.4112.1D113 P115 L222 A223 R224 D228D113-R226 VanDerWaalsContact C-NH1 3.29Å; D113-R226 WeakPolarHBondContact O-CD 3.41Å; D113-R226 PolarHBondContact O-NH1 3.4Å; D113-R226 IonicContact OD1-CZ 3.01Å; D113-R226 IonicContact OD1-NH1 2.62Å; D113-R226 PolarHBondContact OD1-NH1 3.49Å; D113-R226 IonicContact OD1-NH2 2.74Å; D113-R226 PolarHBondContact OD1-NH2 3.36Å; D113-R226 IonicContact OD2-CZ 3.14Å; D113-R226 IonicContact OD2-NE 3.89Å; D113-R226 IonicContact OD2-NH1 3.47Å; D113-R226 PolarHBondContact OD2-NH1 2.9Å; D113-R226 IonicContact OD2-NH2 2.75Å; D113-R226 PolarHBondContact OD2-NH2 2.84Å; P115-R226 HydrophobicContact CG-CB 4.45Å; L222-R226 WeakPolarHBondContact O-CB 3.2Å; L222-R226 PolarHBondContact O-N 3.22Å; A223-R226 WeakPolarHBondContact O-CB 3.32Å; A223-R226 PolarHBondContact O-N 2.92Å; R224-R226 VanDerWaalsContact C-N 3.28Å; R224-R226 PolarHBondContact O-N 3.13Å; R226-D228 VanDerWaalsContact C-N 3.33Å
227E98.2Very high98.6Very high141 Ų14131 Ų3166%0.65914%0.135SC*.Hα-helixtrans-64.5-39.7176.9-70.4171.1-176.800111.9A223 R224A223-E227 WeakPolarHBondContact O-CG 3.41Å; A223-E227 PolarHBondContact O-N 2.87Å; A223-E227 VanDerWaalsContact O-N 3.1Å; R224-E227 WeakPolarHBondContact CD-OE2 3.45Å; R224-E227 IonicContact CZ-OE2 3.65Å; R224-E227 IonicContact NE-OE2 3.51Å; R224-E227 IonicContact NH1-OE2 2.88Å; R224-E227 PolarHBondContact NH1-OE2 2.75Å; R224-E227 PolarHBondContact O-N 3.09Å
228D98.4Very high98.6Very high57 Ų5731 Ų3131%0.30514%0.135SC..  trans-143.6105.1178.6-175.3-4.4000110.6R224 I225 R226 R230 A231R224-D228 IonicContact NH2-OD2 3.17Å; R224-D228 PolarHBondContact O-N 2.92Å; R224-D228 VanDerWaalsContact O-N 3.08Å; I225-D228 CarbonylContact O-C 3.04Å; I225-D228 PolarHBondContact O-N 2.99Å; I225-D228 VanDerWaalsContact O-O 3.12Å; R226-D228 VanDerWaalsContact C-N 3.33Å; D228-R230 PolarHBondContact O-N 3.14Å; D228-R230 WeakPolarHBondContact OD1-CB 3.41Å; D228-R230 PolarHBondContact OD1-N 3.32Å; D228-A231 HydrophobicContact CB-CB 4.16Å; D228-A231 VanDerWaalsContact O-CB 3.26Å; D228-A231 WeakPolarHBondContact O-CB 3.37Å; D228-A231 PolarHBondContact O-N 3.24Å
229R98.3Very high98.5Very high84 Ų8433.6 Ų33.632%0.31715%0.151SC..THydrogen-bonded Turntrans-57.6-24.2-179.9-166.7179.368.283.4-2.6112.8I225 A231 D298 Y301 E304I225-R229 WeakPolarHBondContact O-CA 3.25Å; I225-R229 PolarHBondContact O-N 2.79Å; I225-R229 VanDerWaalsContact O-N 3.12Å; R229-A231 VanDerWaalsContact C-N 3.35Å; R229-D298 VanDerWaalsContact CD-CG 3.49Å; R229-D298 VanDerWaalsContact CD-OD1 3.28Å; R229-D298 WeakPolarHBondContact CD-OD1 3.44Å; R229-D298 HydrophobicContact CG-CB 3.52Å; R229-D298 VanDerWaalsContact CG-OD1 3.28Å; R229-D298 WeakPolarHBondContact CG-OD1 3.25Å; R229-D298 WeakPolarHBondContact CG-OD2 3.38Å; R229-D298 IonicContact CZ-OD1 3.86Å; R229-D298 IonicContact NE-OD1 2.84Å; R229-D298 IonicContact NH1-OD1 3.77Å; R229-D298 PolarHBondContact NH1-OD1 3.3Å; R229-D298 WeakPolarHBondContact O-CB 3.43Å; R229-Y301 VanDerWaalsContact NH1-CA 3.3Å; R229-E304 IonicContact CZ-OE1 3.83Å; R229-E304 IonicContact CZ-OE2 3.84Å; R229-E304 IonicContact NH1-OE1 3.06Å; R229-E304 IonicContact NH1-OE2 2.75Å; R229-E304 PolarHBondContact NH1-OE2 3.18Å; R229-E304 VanDerWaalsContact NH2-CD 3.3Å; R229-E304 IonicContact NH2-OE1 3.3Å; R229-E304 PolarHBondContact NH2-OE1 2.75Å; R229-E304 IonicContact NH2-OE2 3.46Å; R229-E304 PolarHBondContact NH2-OE2 3.15Å
230R98.6Very high98.5Very high127 Ų12731.5 Ų31.548%0.47914%0.141SC..THydrogen-bonded Turntrans-89.90-179.4-58.5-174.7174.1176.3-1.4113.3D228 Y301 G331 S332D228-R230 PolarHBondContact O-N 3.14Å; D228-R230 WeakPolarHBondContact OD1-CB 3.41Å; D228-R230 PolarHBondContact OD1-N 3.32Å; R230-Y301 HydrophobicContact CB-CD2 4.39Å; R230-Y301 HydrophobicContact CB-CE1 4.14Å; R230-Y301 HydrophobicContact CB-CE2 3.94Å; R230-Y301 HydrophobicContact CG-CD2 3.94Å; R230-Y301 HydrophobicContact CG-CE2 3.69Å; R230-Y301 VanDerWaalsContact O-CE1 3.29Å; R230-Y301 WeakPolarHBondContact O-CE1 3.49Å; R230-G331 WeakPolarHBondContact O-CA 3.38Å; R230-S332 PolarHBondContact O-N 3.18Å
231A98.8Very high98.5Very high0 Ų032.2 Ų32.20%015%0.146CC..EExtended strand (participates in β ladder)trans-78.1124.7172.300000110.4R224 D228 R229 V233 S332R224-A231 HydrophobicContact CG-CB 4.38Å; D228-A231 HydrophobicContact CB-CB 4.16Å; D228-A231 VanDerWaalsContact O-CB 3.26Å; D228-A231 WeakPolarHBondContact O-CB 3.37Å; D228-A231 PolarHBondContact O-N 3.24Å; R229-A231 VanDerWaalsContact C-N 3.35Å; A231-V233 HydrophobicContact CB-CG1 4.13Å; A231-S332 WeakPolarHBondContact CA-OG 3.11Å
232V98.9Very high98.4Very high0 Ų032.9 Ų32.90%015%0.149CC..EExtended strand (participates in β ladder)trans-99.8123.7168.2-175.30000107.4F295 I297 Y301 M322 I326 S332 L333 E334V232-F295 HydrophobicContact CG1-CB 4.48Å; V232-F295 HydrophobicContact CG1-CD2 3.85Å; V232-F295 HydrophobicContact CG1-CG 4.47Å; V232-I297 HydrophobicContact CG1-CB 4.38Å; V232-I297 HydrophobicContact CG1-CD1 4.41Å; V232-I297 HydrophobicContact CG2-CB 4.49Å; V232-I297 HydrophobicContact CG2-CD1 3.5Å; V232-I297 HydrophobicContact CG2-CG1 3.87Å; V232-Y301 HydrophobicContact CG2-CD1 4.41Å; V232-Y301 HydrophobicContact CG2-CE1 4.06Å; V232-M322 HydrophobicContact CG1-CE 4Å; V232-I326 HydrophobicContact CB-CD1 3.82Å; V232-I326 HydrophobicContact CG1-CD1 3.96Å; V232-I326 HydrophobicContact CG2-CD1 3.52Å; V232-I326 HydrophobicContact CG2-CG1 3.87Å; V232-I326 HydrophobicContact CG2-CG2 4.1Å; V232-S332 PolarHBondContact N-O 3.4Å; V232-L333 HydrophobicContact CB-CD1 3.83Å; V232-L333 HydrophobicContact CG1-CD1 3.77Å; V232-L333 WeakPolarHBondContact O-CA 3.28Å; V232-E334 PolarHBondContact O-N 3.4Å
233V98.8Very high98.2Very high0 Ų037.7 Ų37.70%017%0.172CC..EExtended strand (participates in β ladder)trans-122.7131.1-164.9-60.60000111.8L221 R224 I225 A231 F295 S296 E334 I336L221-V233 HydrophobicContact CB-CG2 3.94Å; L221-V233 HydrophobicContact CD2-CB 4.33Å; L221-V233 HydrophobicContact CD2-CG2 4.02Å; R224-V233 HydrophobicContact CB-CG1 4Å; R224-V233 HydrophobicContact CG-CG1 3.66Å; I225-V233 HydrophobicContact CD1-CG2 3.76Å; I225-V233 HydrophobicContact CG1-CG1 4.38Å; I225-V233 HydrophobicContact CG1-CG2 3.79Å; A231-V233 HydrophobicContact CB-CG1 4.13Å; V233-F295 CarbonylContact O-C 3.01Å; V233-F295 VanDerWaalsContact O-CA 3.26Å; V233-F295 WeakPolarHBondContact O-CA 3.1Å; V233-S296 PolarHBondContact N-O 3.34Å; V233-S296 PolarHBondContact O-N 2.89Å; V233-E334 CarbonylContact C-O 3.52Å; V233-E334 WeakPolarHBondContact CA-O 3.22Å; V233-E334 HydrophobicContact CG1-CB 4.49Å; V233-I336 HydrophobicContact CB-CD1 4.02Å; V233-I336 HydrophobicContact CB-CG1 3.74Å; V233-I336 HydrophobicContact CG1-CD1 3.86Å; V233-I336 HydrophobicContact CG1-CG1 4.15Å
234C98.7Very high98.1Very high7 Ų738.5 Ų38.55%0.04718%0.176CC..EExtended strand (participates in β ladder)trans-110.3143.8178-65.40000110.1L294 E334 I335 I336C234-L294 PolarHBondContact SG-O 3.31Å; C234-E334 PolarHBondContact N-O 3.14Å; C234-I335 HydrophobicContact CB-CG1 4.42Å; C234-I335 CarbonylContact O-C 3.52Å; C234-I335 WeakPolarHBondContact O-CA 3.14Å; C234-I336 PolarHBondContact O-N 2.74Å
235P98.6Very high98.1Very high5 Ų536.4 Ų36.43%0.03217%0.169CC..EExtended strand (participates in β ladder)trans-70164.4163.933.4-35.6000110.4I237 L294 S339 V341P235-I237 PolarHBondContact O-N 3Å; P235-L294 HydrophobicContact CG-CB 3.99Å; P235-L294 HydrophobicContact CG-CD2 4.27Å; P235-S339 WeakPolarHBondContact CA-O 3.33Å; P235-S339 WeakPolarHBondContact CB-OG 3.29Å; P235-V341 HydrophobicContact CB-CB 4.31Å; P235-V341 HydrophobicContact CB-CG2 3.82Å; P235-V341 HydrophobicContact CG-CB 4.1Å; P235-V341 HydrophobicContact CG-CG2 3.81Å
236I98.3Very high98Very high7 Ų740 Ų404%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-63.1126.9154.5-66.4177.6000107.2D252 I335 T337 S339 H340 V341I236-D252 HydrophobicContact CD1-CB 3.65Å; I236-I335 HydrophobicContact CG1-CG2 3.81Å; I236-T337 HydrophobicContact CD1-CG2 4.37Å; I236-S339 PolarHBondContact N-O 3.37Å; I236-H340 WeakPolarHBondContact O-CA 3.39Å; I236-V341 PolarHBondContact O-N 3.21Å
237I98.1Very high98.1Very high20 Ų2036.1 Ų36.110%0.10317%0.171CC..EExtended strand (participates in β ladder)trans-92.1109.1178.2-55.4173.9000107.8P235 W266 A291 L294 V341 H343 F345P235-I237 PolarHBondContact O-N 3Å; I237-W266 HydrophobicContact CD1-CZ2 4.38Å; I237-A291 HydrophobicContact CD1-CB 3.84Å; I237-L294 HydrophobicContact CD1-CD1 4.18Å; I237-V341 WeakPolarHBondContact CA-O 3.36Å; I237-H343 HydrophobicContact CG2-CB 3.6Å; I237-F345 HydrophobicContact CG2-CE2 3.93Å; I237-F345 HydrophobicContact CG2-CZ 3.65Å
238D98Very high98Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-83.8158.9176.4-47.5-69.9000110.4Y247 M248 G250 H340 V341 G342 H343D238-Y247 HydrophobicContact CB-CE1 4.26Å; D238-Y247 HydrophobicContact CB-CE2 3.85Å; D238-Y247 WeakPolarHBondContact CB-OH 3.22Å; D238-Y247 PolarHBondContact OD2-OH 3.01Å; D238-M248 WeakPolarHBondContact CB-O 3.22Å; D238-G250 PolarHBondContact OD1-N 3.31Å; D238-H340 IonicContact OD1-CE1 2.69Å; D238-H340 IonicContact OD1-CG 3.51Å; D238-H340 IonicContact OD1-ND1 2.92Å; D238-H340 PolarHBondContact OD1-ND1 3.11Å; D238-H340 VanDerWaalsContact OD2-CB 3.27Å; D238-H340 WeakPolarHBondContact OD2-CB 3.47Å; D238-H340 IonicContact OD2-CG 2.85Å; D238-H340 IonicContact OD2-ND1 3.05Å; D238-H340 PolarHBondContact OD2-ND1 3.1Å; D238-V341 PolarHBondContact N-O 2.99Å; D238-V341 PolarHBondContact OD2-N 2.77Å; D238-G342 CarbonylContact O-C 3.54Å; D238-G342 WeakPolarHBondContact O-CA 3.44Å; D238-H343 PolarHBondContact O-N 2.73Å
239V97.8Very high97.9Very high56 Ų5633 Ų3334%0.33917%0.166SC..EExtended strand (participates in β ladder)trans-94.7122.3-177.8-178.10000109.4M248 F345V239-M248 HydrophobicContact CB-CB 4.33Å; V239-M248 HydrophobicContact CB-CE 4.08Å; V239-M248 HydrophobicContact CG1-CE 3.6Å; V239-M248 PolarHBondContact N-O 3.31Å; V239-M248 PolarHBondContact O-N 2.97Å; V239-F345 HydrophobicContact CB-CD2 4.23Å; V239-F345 HydrophobicContact CB-CE2 4.46Å; V239-F345 HydrophobicContact CG1-CD2 4.01Å; V239-F345 HydrophobicContact CG2-CD2 3.98Å; V239-F345 HydrophobicContact CG2-CE2 3.93Å
240I98.4Very high97.6Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-97.3120.8160-61.7165000107.3E212 D242 F245 E246 Y247 H343 V344E212-I240 HydrophobicContact CB-CD1 3.98Å; E212-I240 HydrophobicContact CG-CD1 3.82Å; I240-D242 PolarHBondContact O-N 2.65Å; I240-F245 HydrophobicContact CG2-CB 4.35Å; I240-F245 HydrophobicContact CG2-CD1 3.82Å; I240-F245 HydrophobicContact CG2-CE1 4.38Å; I240-F245 HydrophobicContact CG2-CG 4.22Å; I240-E246 WeakPolarHBondContact CA-O 3.36Å; I240-Y247 HydrophobicContact CD1-CD2 4.5Å; I240-Y247 HydrophobicContact CG1-CD2 3.95Å; I240-H343 PolarHBondContact N-O 3.09Å; I240-V344 HydrophobicContact CB-CG2 3.88Å; I240-V344 HydrophobicContact CD1-CG2 4.39Å; I240-V344 HydrophobicContact CG2-CG2 3.77Å; I240-V344 WeakPolarHBondContact O-CA 3.39Å
241S97.6Very high97.2Very high18 Ų1826.7 Ų26.713%0.12616%0.157CC..PPolyproline II helixtrans-58127.1179.7173.20000111.2E243 T244 F245 E246S241-E243 PolarHBondContact O-N 2.72Å; S241-E243 PolarHBondContact OG-N 2.84Å; S241-T244 WeakPolarHBondContact CB-OG1 3.14Å; S241-T244 PolarHBondContact OG-N 2.75Å; S241-T244 VanDerWaalsContact OG-N 3.1Å; S241-T244 PolarHBondContact OG-OG1 2.95Å; S241-T244 VanDerWaalsContact OG-OG1 3.11Å; S241-F245 VanDerWaalsContact O-CA 3.27Å; S241-F245 WeakPolarHBondContact O-CA 3.42Å; S241-F245 PolarHBondContact O-N 2.99Å; S241-E246 PolarHBondContact N-O 2.82Å
242D96.7Very high96.8Very high15 Ų1527.4 Ų27.48%0.0816%0.161CC..THydrogen-bonded Turntrans-67.8-17.8172.862.9-26.4000112.3F78 F83 N84 I240 V344 F345F78-D242 WeakPolarHBondContact CE2-O 3.46Å; F78-D242 HydrophobicContact CZ-CB 4.42Å; F83-D242 CarbonylContact C-O 3.5Å; F83-D242 WeakPolarHBondContact CA-O 3.44Å; F83-D242 HydrophobicContact CB-CB 3.85Å; N84-D242 WeakPolarHBondContact CB-O 3.42Å; N84-D242 PolarHBondContact N-O 3.47Å; I240-D242 PolarHBondContact O-N 2.65Å; D242-V344 HydrophobicContact CB-CG1 4.28Å; D242-F345 WeakPolarHBondContact CB-O 3.27Å
243E95.5Very high96.5Very high101 Ų10130.5 Ų30.547%0.47218%0.176SC..THydrogen-bonded Turntrans-94.5-41.9-179-67.7178.5-167.800113F78 N84 S241 K347F78-E243 HydrophobicContact CE2-CG 4.45Å; N84-E243 VanDerWaalsContact CB-O 3.27Å; N84-E243 WeakPolarHBondContact CB-O 3.46Å; N84-E243 PolarHBondContact ND2-O 3.16Å; S241-E243 PolarHBondContact O-N 2.72Å; S241-E243 PolarHBondContact OG-N 2.84Å; E243-K347 IonicContact OE1-NZ 3.81Å; E243-K347 PolarHBondContact OE1-NZ 3.37Å
244T96.9Very high96.3Very high24 Ų2432.6 Ų32.615%0.14719%0.189CC..THydrogen-bonded Turntrans-122.5-7.7-170.361.30000114.2A63 V64 S241 E246A63-T244 HydrophobicContact CB-CG2 4.42Å; V64-T244 PolarHBondContact N-O 2.92Å; S241-T244 WeakPolarHBondContact CB-OG1 3.14Å; S241-T244 PolarHBondContact OG-N 2.75Å; S241-T244 VanDerWaalsContact OG-N 3.1Å; S241-T244 PolarHBondContact OG-OG1 2.95Å; S241-T244 VanDerWaalsContact OG-OG1 3.11Å; T244-E246 PolarHBondContact O-N 3.42Å; T244-E246 VanDerWaalsContact O-N 3.14Å; T244-E246 WeakPolarHBondContact OG1-CB 3.47Å; T244-E246 PolarHBondContact OG1-N 3.22Å
245F98Very high96.1Very high1 Ų132.5 Ų32.50%0.00419%0.188CC..  trans57.817.1-171.5-85.7-103.3000115F83 N84 A87 S88 I91 R95 T130 I240 S241 V344F83-F245 AromaticContact CD2-CE2 3.77Å; F83-F245 HydrophobicContact CD2-CE2 3.77Å; F83-F245 AromaticContact CD2-CZ 3.64Å; F83-F245 HydrophobicContact CD2-CZ 3.64Å; F83-F245 HydrophobicContact CE2-CE2 4.42Å; F83-F245 AromaticContact CE2-CZ 3.92Å; F83-F245 HydrophobicContact CE2-CZ 3.92Å; F83-F245 HydrophobicContact CG-CZ 4.41Å; N84-F245 WeakPolarHBondContact O-CE2 3.12Å; A87-F245 HydrophobicContact CB-CD2 4.15Å; S88-F245 VanDerWaalsContact CB-CZ 3.48Å; I91-F245 HydrophobicContact CD1-CB 3.33Å; I91-F245 HydrophobicContact CD1-CD1 4.2Å; I91-F245 HydrophobicContact CD1-CG 3.86Å; R95-F245 PolarHBondContact NH1-O 3.31Å; R95-F245 PolarHBondContact NH2-O 3.4Å; T130-F245 HydrophobicContact CG2-CE1 3.86Å; T130-F245 HydrophobicContact CG2-CZ 3.77Å; I240-F245 HydrophobicContact CG2-CB 4.35Å; I240-F245 HydrophobicContact CG2-CD1 3.82Å; I240-F245 HydrophobicContact CG2-CE1 4.38Å; I240-F245 HydrophobicContact CG2-CG 4.22Å; S241-F245 VanDerWaalsContact O-CA 3.27Å; S241-F245 WeakPolarHBondContact O-CA 3.42Å; S241-F245 PolarHBondContact O-N 2.99Å; F245-V344 HydrophobicContact CE1-CG2 3.97Å; F245-V344 HydrophobicContact CZ-CG2 4.25Å
246E98.1Very high96Very high81 Ų8132.3 Ų32.338%0.37919%0.186SC..  trans-60.6136167.6-173.5172.3-159.300110.4G61 A63 I240 S241 T244 M248G61-E246 CarbonylContact O-C 3.56Å; G61-E246 WeakPolarHBondContact O-CA 3.43Å; A63-E246 HydrophobicContact CB-CB 3.93Å; A63-E246 HydrophobicContact CB-CG 4.32Å; I240-E246 WeakPolarHBondContact CA-O 3.36Å; S241-E246 PolarHBondContact N-O 2.82Å; T244-E246 PolarHBondContact O-N 3.42Å; T244-E246 VanDerWaalsContact O-N 3.14Å; T244-E246 WeakPolarHBondContact OG1-CB 3.47Å; T244-E246 PolarHBondContact OG1-N 3.22Å; E246-M248 HydrophobicContact CG-CG 4.26Å
247Y98.4Very high95.9Very high14 Ų1432 Ų326%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-94.8119.8176.5-179.1-84.5000109.8G61 L97 P98 V100 T214 D238 I240G61-Y247 PolarHBondContact O-N 3.34Å; L97-Y247 HydrophobicContact CD1-CD2 4.12Å; L97-Y247 HydrophobicContact CD1-CE2 4.04Å; L97-Y247 HydrophobicContact CD2-CD2 3.98Å; L97-Y247 HydrophobicContact CD2-CG 4.06Å; P98-Y247 HydrophobicContact CG-CD1 3.91Å; P98-Y247 HydrophobicContact CG-CE1 4.32Å; V100-Y247 HydrophobicContact CG1-CD1 4.43Å; V100-Y247 HydrophobicContact CG1-CE1 3.77Å; V100-Y247 HydrophobicContact CG2-CE1 3.98Å; T214-Y247 HydrophobicContact CG2-CE1 4.47Å; T214-Y247 HydrophobicContact CG2-CE2 4.28Å; T214-Y247 WeakPolarHBondContact CG2-OH 3.35Å; D238-Y247 HydrophobicContact CB-CE1 4.26Å; D238-Y247 HydrophobicContact CB-CE2 3.85Å; D238-Y247 WeakPolarHBondContact CB-OH 3.22Å; D238-Y247 PolarHBondContact OD2-OH 3.01Å; I240-Y247 HydrophobicContact CD1-CD2 4.5Å; I240-Y247 HydrophobicContact CG1-CD2 3.95Å
248M97.6Very high95.7Very high74 Ų7431 Ų3137%0.36518%0.18SC..EExtended strand (participates in β ladder)trans-121.4121-177.8-64.8167-77.800109.6D238 V239 E246 G250D238-M248 WeakPolarHBondContact CB-O 3.22Å; V239-M248 HydrophobicContact CB-CB 4.33Å; V239-M248 HydrophobicContact CB-CE 4.08Å; V239-M248 HydrophobicContact CG1-CE 3.6Å; V239-M248 PolarHBondContact N-O 3.31Å; V239-M248 PolarHBondContact O-N 2.97Å; E246-M248 HydrophobicContact CG-CG 4.26Å; M248-G250 PolarHBondContact O-N 2.96Å
249A95.2Very high95.3Very high60 Ų6031.1 Ų31.150%0.49618%0.18SC..PPolyproline II helixtrans-58.4133.7-179.300000111.8V100V100-A249 HydrophobicContact CB-CB 3.87Å; V100-A249 HydrophobicContact CG1-CB 3.94Å; V100-A249 HydrophobicContact CG2-CB 4.33Å
250G92.4Very high94.7Very high23 Ų2328.9 Ų28.924%0.23717%0.166CC..PPolyproline II helixtrans-72.5169168.700000111.7D238 M248D238-G250 PolarHBondContact OD1-N 3.31Å; M248-G250 PolarHBondContact O-N 2.96Å
251S91.1Very high94.2Very high55 Ų5532.4 Ų32.439%0.38518%0.181SC..PPolyproline II helixtrans-97.8132.1179.8-171.70000111.7M253 T254S251-M253 PolarHBondContact O-N 2.94Å; S251-M253 WeakPolarHBondContact OG-CB 2.97Å; S251-M253 PolarHBondContact OG-N 3.38Å; S251-M253 VanDerWaalsContact OG-N 3.15Å; S251-T254 PolarHBondContact O-OG1 3.04Å
252D89.9Confident93.9Very high15 Ų1531.8 Ų31.88%0.0818%0.177CC..THydrogen-bonded Turntrans-76-1.9167.568.2-49.7000113.1I236 R281 T337I236-D252 HydrophobicContact CD1-CB 3.65Å; D252-R281 IonicContact OD1-CZ 3.15Å; D252-R281 IonicContact OD1-NE 3.61Å; D252-R281 IonicContact OD1-NH2 3.89Å; D252-R281 PolarHBondContact OD1-NH2 3.43Å; D252-R281 IonicContact OD2-CZ 2.75Å; D252-R281 IonicContact OD2-NE 2.73Å; D252-R281 PolarHBondContact OD2-NE 2.92Å; D252-R281 IonicContact OD2-NH2 3.32Å; D252-R281 PolarHBondContact OD2-NH2 3.29Å; D252-T337 HydrophobicContact CB-CG2 4.03Å
253M92.9Very high93.6Very high65 Ų6534.5 Ų34.532%0.3219%0.191SC..THydrogen-bonded Turntrans-10113.9176.8-62.1-64.2-61.200112.3S251 P268 V269 M274S251-M253 PolarHBondContact O-N 2.94Å; S251-M253 WeakPolarHBondContact OG-CB 2.97Å; S251-M253 PolarHBondContact OG-N 3.38Å; S251-M253 VanDerWaalsContact OG-N 3.15Å; M253-P268 CarbonylContact O-C 3.5Å; M253-P268 WeakPolarHBondContact O-CA 3.28Å; M253-V269 VanDerWaalsContact C-CG2 3.47Å; M253-V269 PolarHBondContact O-N 2.73Å; M253-M274 HydrophobicContact CE-CE 3.62Å; M253-M274 HydrophobicContact CE-SD 3.58Å; M253-M274 VanDerWaalsContact CE-SD 3.58Å; M253-M274 HydrophobicContact SD-CE 3.84Å; M253-M274 HydrophobicContact SD-SD 3.94Å
254T94.3Very high93.6Very high44 Ų4432 Ų3227%0.2718%0.179SC..EExtended strand (participates in β ladder)trans-118.3145.2172.755.20000112.1S251 Y267S251-T254 PolarHBondContact O-OG1 3.04Å; T254-Y267 CarbonylContact C-O 3.58Å; T254-Y267 VanDerWaalsContact CA-O 3.25Å; T254-Y267 WeakPolarHBondContact CA-O 3.34Å
255Y94.9Very high93.4Very high5 Ų536.6 Ų36.62%0.0219%0.193CC..EExtended strand (participates in β ladder)trans-133.9161.9172.379.2-28000111Y267 P268 P270 P288 Y418Y255-Y267 WeakPolarHBondContact CD1-O 3.15Å; Y255-Y267 PolarHBondContact N-O 2.93Å; Y255-Y267 PolarHBondContact O-N 3.24Å; Y255-P268 VanDerWaalsContact CE1-O 3.25Å; Y255-P268 WeakPolarHBondContact CE1-O 3.4Å; Y255-P270 HydrophobicContact CE2-CG 3.96Å; Y255-P270 VanDerWaalsContact CZ-CD 3.43Å; Y255-P288 HydrophobicContact CD2-CG 4.14Å; Y255-P288 HydrophobicContact CE2-CG 3.64Å; Y255-Y418 WeakPolarHBondContact OH-CE2 3.49Å
256G96.5Very high93.1Very high0 Ų041.6 Ų41.60%021%0.212CC..EExtended strand (participates in β ladder)trans-84.7129.6-177.400000112.4T287 P288 T289G256-T287 WeakPolarHBondContact CA-OG1 3.37Å; G256-T287 PolarHBondContact N-OG1 2.9Å; G256-T287 PolarHBondContact O-OG1 3.34Å; G256-P288 WeakPolarHBondContact O-CB 3.41Å; G256-P288 WeakPolarHBondContact O-CD 3.46Å; G256-T289 WeakPolarHBondContact CA-O 3.28Å; G256-T289 PolarHBondContact O-N 3.4Å; G256-T289 PolarHBondContact O-OG1 2.82Å
257G95.9Very high92.9Very high0 Ų039.7 Ų39.70%020%0.202CC..EExtended strand (participates in β ladder)trans-134.1-163.9170.700000111.6R265 T289 Y418G257-R265 PolarHBondContact N-O 2.76Å; G257-R265 PolarHBondContact O-N 3.22Å; G257-T289 WeakPolarHBondContact CA-OG1 3.04Å; G257-T289 PolarHBondContact N-OG1 3.06Å; G257-T289 PolarHBondContact O-OG1 3.25Å; G257-Y418 WeakPolarHBondContact CA-OH 3.17Å
258F94.1Very high92.6Very high0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-151.7149.8175.665.9-76.7000111L262 N263 T289 L320 F324 F410 Y413 Y418 I423F258-L262 HydrophobicContact CD2-CD2 3.78Å; F258-L262 HydrophobicContact CE2-CD2 3.89Å; F258-N263 WeakPolarHBondContact CA-O 3.25Å; F258-N263 WeakPolarHBondContact CB-O 3.2Å; F258-T289 HydrophobicContact CD1-CG2 3.67Å; F258-T289 HydrophobicContact CE1-CG2 4.3Å; F258-L320 HydrophobicContact CB-CD1 4.24Å; F258-L320 HydrophobicContact CB-CD2 3.95Å; F258-L320 HydrophobicContact CG-CD2 4.41Å; F258-F324 AromaticContact CD1-CE1 3.99Å; F258-F324 HydrophobicContact CD1-CE1 3.99Å; F258-F324 HydrophobicContact CD1-CZ 4.16Å; F258-F324 HydrophobicContact CD2-CZ 4.32Å; F258-F324 AromaticContact CE1-CE1 3.54Å; F258-F324 HydrophobicContact CE1-CE1 3.54Å; F258-F324 AromaticContact CE1-CZ 3.77Å; F258-F324 HydrophobicContact CE1-CZ 3.77Å; F258-F324 AromaticContact CE2-CZ 3.92Å; F258-F324 HydrophobicContact CE2-CZ 3.92Å; F258-F324 HydrophobicContact CG-CZ 4.44Å; F258-F324 AromaticContact CZ-CE1 3.86Å; F258-F324 HydrophobicContact CZ-CE1 3.86Å; F258-F324 AromaticContact CZ-CZ 3.66Å; F258-F324 HydrophobicContact CZ-CZ 3.66Å; F258-F410 HydrophobicContact CE2-CZ 4.42Å; F258-F410 AromaticContact CZ-CZ 3.83Å; F258-F410 HydrophobicContact CZ-CZ 3.83Å; F258-Y413 AromaticContact CE1-CE1 3.95Å; F258-Y413 HydrophobicContact CE1-CE1 3.95Å; F258-Y413 HydrophobicContact CZ-CE1 4.32Å; F258-Y418 HydrophobicContact CD1-CD1 4.06Å; F258-Y418 AromaticContact CD1-CE1 3.79Å; F258-Y418 HydrophobicContact CD1-CE1 3.79Å; F258-Y418 AromaticContact CE1-CD1 3.61Å; F258-Y418 HydrophobicContact CE1-CD1 3.61Å; F258-Y418 AromaticContact CE1-CE1 3.78Å; F258-Y418 HydrophobicContact CE1-CE1 3.78Å; F258-Y418 HydrophobicContact CZ-CD1 4.41Å; F258-I423 HydrophobicContact CD2-CD1 4.32Å; F258-I423 HydrophobicContact CE2-CD1 3.41Å; F258-I423 VanDerWaalsContact CE2-CD1 3.41Å; F258-I423 HydrophobicContact CZ-CD1 3.93Å
259N89.3Confident92.5Very high2 Ų241 Ų411%0.01122%0.217CC..  trans-92.9-178.3176.582.4-14.6000111.6K261 L262 N263 R265 D478N259-K261 PolarHBondContact O-N 2.57Å; N259-K261 VanDerWaalsContact O-N 3.11Å; N259-K261 PolarHBondContact OD1-N 2.82Å; N259-L262 PolarHBondContact O-N 3.34Å; N259-N263 PolarHBondContact N-O 2.62Å; N259-N263 VanDerWaalsContact N-O 3.08Å; N259-N263 WeakPolarHBondContact OD1-CB 3.4Å; N259-N263 PolarHBondContact OD1-N 2.95Å; N259-N263 VanDerWaalsContact OD1-N 3.12Å; N259-R265 HydrophobicContact CB-CG 4.4Å; N259-D478 VanDerWaalsContact CB-OD1 3.3Å; N259-D478 WeakPolarHBondContact CB-OD1 3.29Å; N259-D478 PolarHBondContact ND2-OD1 3.3Å; N259-D478 PolarHBondContact ND2-OD2 3.47Å
260W84.3Confident92.3Very high10 Ų1038.9 Ų38.94%0.03820%0.198CC..THydrogen-bonded Turntrans-69.9-15.6-171.8-57.53.1000113.6L262 I383 Q422 I423 P424 S468 R476 D478W260-L262 VanDerWaalsContact C-N 3.25Å; W260-L262 PolarHBondContact O-N 3.25Å; W260-I383 HydrophobicContact CB-CD1 3.5Å; W260-I383 VanDerWaalsContact CB-CD1 3.5Å; W260-I383 HydrophobicContact CD2-CD1 3.97Å; W260-I383 HydrophobicContact CE3-CD1 3.38Å; W260-I383 HydrophobicContact CE3-CG1 4.31Å; W260-I383 HydrophobicContact CG-CD1 4.1Å; W260-I383 HydrophobicContact CZ3-CD1 4.33Å; W260-Q422 WeakPolarHBondContact CZ2-O 3.34Å; W260-Q422 PolarHBondContact NE1-O 3.48Å; W260-I423 HydrophobicContact CG-CG1 4.3Å; W260-P424 HydrophobicContact CH2-CG 4.37Å; W260-P424 HydrophobicContact CZ2-CG 4.17Å; W260-S468 VanDerWaalsContact CH2-OG 3.32Å; W260-S468 WeakPolarHBondContact CH2-OG 3.39Å; W260-R476 HydrophobicContact CH2-CB 3.94Å; W260-R476 HydrophobicContact CZ2-CB 4.15Å; W260-D478 PolarHBondContact N-OD1 2.86Å; W260-D478 PolarHBondContact NE1-O 2.92Å
261K87.8Confident92.3Very high73 Ų7343.8 Ų43.832%0.31722%0.215SC..THydrogen-bonded Turntrans-88.710.8176.4-65.5178.7-179.7175.90112.6N259 N263 I383N259-K261 PolarHBondContact O-N 2.57Å; N259-K261 VanDerWaalsContact O-N 3.11Å; N259-K261 PolarHBondContact OD1-N 2.82Å; K261-N263 WeakPolarHBondContact CB-ND2 3.39Å; K261-N263 PolarHBondContact O-N 2.89Å; K261-I383 HydrophobicContact CD-CG2 4.48Å; K261-I383 HydrophobicContact CG-CG2 3.73Å
262L92.3Very high92.4Very high6 Ų645.1 Ų45.13%0.03121%0.212CC..SBendtrans5635.8-174.1-59.6-179.2000112.7F258 N259 W260 L320 N365 L368 M373 F380F258-L262 HydrophobicContact CD2-CD2 3.78Å; F258-L262 HydrophobicContact CE2-CD2 3.89Å; N259-L262 PolarHBondContact O-N 3.34Å; W260-L262 VanDerWaalsContact C-N 3.25Å; W260-L262 PolarHBondContact O-N 3.25Å; L262-L320 HydrophobicContact CB-CD1 3.97Å; L262-L320 WeakPolarHBondContact O-CD1 3.28Å; L262-N365 HydrophobicContact CD1-CB 4.24Å; L262-L368 HydrophobicContact CD1-CD1 3.76Å; L262-L368 HydrophobicContact CD1-CG 4.35Å; L262-M373 HydrophobicContact CD1-SD 3.83Å; L262-M373 HydrophobicContact CD2-CE 3.95Å; L262-M373 HydrophobicContact CD2-SD 3.79Å; L262-M373 HydrophobicContact CG-SD 4.38Å; L262-F380 HydrophobicContact CB-CD2 4.44Å; L262-F380 HydrophobicContact CB-CE2 4.08Å; L262-F380 HydrophobicContact CB-CZ 4.44Å; L262-F380 HydrophobicContact CD1-CD1 3.67Å; L262-F380 HydrophobicContact CD1-CD2 3.88Å; L262-F380 HydrophobicContact CD1-CE1 3.57Å; L262-F380 HydrophobicContact CD1-CE2 3.81Å; L262-F380 HydrophobicContact CD1-CG 3.81Å; L262-F380 HydrophobicContact CD1-CZ 3.65Å; L262-F380 HydrophobicContact CG-CD1 4.4Å; L262-F380 HydrophobicContact CG-CD2 3.72Å; L262-F380 HydrophobicContact CG-CE1 4.43Å; L262-F380 HydrophobicContact CG-CE2 3.79Å; L262-F380 HydrophobicContact CG-CG 4.04Å; L262-F380 HydrophobicContact CG-CZ 4.16Å
263N91.3Very high92.6Very high71 Ų7144.6 Ų44.638%0.3821%0.209SC..  trans-94132.3168.9-62-55.5000109.4F258 N259 K261F258-N263 WeakPolarHBondContact CA-O 3.25Å; F258-N263 WeakPolarHBondContact CB-O 3.2Å; N259-N263 PolarHBondContact N-O 2.62Å; N259-N263 VanDerWaalsContact N-O 3.08Å; N259-N263 WeakPolarHBondContact OD1-CB 3.4Å; N259-N263 PolarHBondContact OD1-N 2.95Å; N259-N263 VanDerWaalsContact OD1-N 3.12Å; K261-N263 WeakPolarHBondContact CB-ND2 3.39Å; K261-N263 PolarHBondContact O-N 2.89Å
264F94Very high92.6Very high50 Ų5043.2 Ų43.222%0.21920%0.202CC..EExtended strand (participates in β ladder)trans-60.4139.9170.1175.4-93.2000110.9W266 T289 M290 A291F264-W266 AromaticContact CE1-CD1 3.97Å; F264-W266 AromaticContact CE1-CD2 3.9Å; F264-W266 HydrophobicContact CE1-CD2 3.9Å; F264-W266 AromaticContact CE1-CE2 3.54Å; F264-W266 HydrophobicContact CE1-CG 4.17Å; F264-W266 AromaticContact CE1-CZ2 3.94Å; F264-W266 HydrophobicContact CE1-CZ2 3.94Å; F264-W266 AromaticContact CE1-NE1 3.59Å; F264-W266 AromaticContact CZ-CD2 3.81Å; F264-W266 HydrophobicContact CZ-CD2 3.81Å; F264-W266 AromaticContact CZ-CE2 3.66Å; F264-W266 HydrophobicContact CZ-CE3 4.03Å; F264-W266 HydrophobicContact CZ-CG 4.44Å; F264-W266 AromaticContact CZ-CH2 3.99Å; F264-W266 HydrophobicContact CZ-CH2 3.99Å; F264-W266 AromaticContact CZ-CZ2 3.76Å; F264-W266 HydrophobicContact CZ-CZ2 3.76Å; F264-W266 HydrophobicContact CZ-CZ3 4.12Å; F264-T289 WeakPolarHBondContact CD2-OG1 3.33Å; F264-M290 WeakPolarHBondContact CD2-O 3.46Å; F264-A291 HydrophobicContact CE1-CB 4.01Å; F264-A291 HydrophobicContact CE2-CB 4.42Å; F264-A291 HydrophobicContact CZ-CB 3.91Å
265R92.6Very high92.7Very high119 Ų11945.8 Ų45.845%0.44921%0.214SC..EExtended strand (participates in β ladder)trans-142.6146.6178-67.2-65.1-169.5179.31.7110.2G257 N259 Y267G257-R265 PolarHBondContact N-O 2.76Å; G257-R265 PolarHBondContact O-N 3.22Å; N259-R265 HydrophobicContact CB-CG 4.4Å; R265-Y267 HydrophobicContact CB-CD2 4.07Å; R265-Y267 HydrophobicContact CB-CE2 3.41Å; R265-Y267 VanDerWaalsContact CB-CE2 3.41Å; R265-Y267 HydrophobicContact CG-CE2 4.33Å
266W93Very high92.7Very high107 Ų10749.9 Ų49.941%0.40523%0.23SC..EExtended strand (participates in β ladder)trans-87.4128.1166.1-65.4110.5000109.4I237 F264 A291 I335I237-W266 HydrophobicContact CD1-CZ2 4.38Å; F264-W266 AromaticContact CE1-CD1 3.97Å; F264-W266 AromaticContact CE1-CD2 3.9Å; F264-W266 HydrophobicContact CE1-CD2 3.9Å; F264-W266 AromaticContact CE1-CE2 3.54Å; F264-W266 HydrophobicContact CE1-CG 4.17Å; F264-W266 AromaticContact CE1-CZ2 3.94Å; F264-W266 HydrophobicContact CE1-CZ2 3.94Å; F264-W266 AromaticContact CE1-NE1 3.59Å; F264-W266 AromaticContact CZ-CD2 3.81Å; F264-W266 HydrophobicContact CZ-CD2 3.81Å; F264-W266 AromaticContact CZ-CE2 3.66Å; F264-W266 HydrophobicContact CZ-CE3 4.03Å; F264-W266 HydrophobicContact CZ-CG 4.44Å; F264-W266 AromaticContact CZ-CH2 3.99Å; F264-W266 HydrophobicContact CZ-CH2 3.99Å; F264-W266 AromaticContact CZ-CZ2 3.76Å; F264-W266 HydrophobicContact CZ-CZ2 3.76Å; F264-W266 HydrophobicContact CZ-CZ3 4.12Å; W266-A291 HydrophobicContact CZ2-CB 4.06Å; W266-I335 HydrophobicContact CZ3-CD1 4.07Å
267Y92.5Very high92.6Very high40 Ų4050.1 Ų50.116%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-120.2158.1174.8-66.1-83.8000109.9T254 Y255 R265 Y418 D479T254-Y267 CarbonylContact C-O 3.58Å; T254-Y267 VanDerWaalsContact CA-O 3.25Å; T254-Y267 WeakPolarHBondContact CA-O 3.34Å; Y255-Y267 WeakPolarHBondContact CD1-O 3.15Å; Y255-Y267 PolarHBondContact N-O 2.93Å; Y255-Y267 PolarHBondContact O-N 3.24Å; R265-Y267 HydrophobicContact CB-CD2 4.07Å; R265-Y267 HydrophobicContact CB-CE2 3.41Å; R265-Y267 VanDerWaalsContact CB-CE2 3.41Å; R265-Y267 HydrophobicContact CG-CE2 4.33Å; Y267-Y418 WeakPolarHBondContact CD2-OH 3.39Å; Y267-Y418 WeakPolarHBondContact CE2-OH 3.32Å; Y267-D479 PolarHBondContact OH-OD1 2.67Å
268P93.5Very high92.6Very high102 Ų10259.4 Ų59.466%0.66227%0.271SS*.EExtended strand (participates in β ladder)trans-60.6143.3168.4-20.733.3000111.1M253 Y255M253-P268 CarbonylContact O-C 3.5Å; M253-P268 WeakPolarHBondContact O-CA 3.28Å; Y255-P268 VanDerWaalsContact CE1-O 3.25Å; Y255-P268 WeakPolarHBondContact CE1-O 3.4Å
269V94Very high92.3Very high13 Ų1362.2 Ų62.28%0.07930%0.3CS..PPolyproline II helixtrans-61.4126.5174.5173.80000109.4M253 E273 M274 V285M253-V269 VanDerWaalsContact C-CG2 3.47Å; M253-V269 PolarHBondContact O-N 2.73Å; V269-E273 HydrophobicContact CG1-CB 3.77Å; V269-E273 HydrophobicContact CG1-CG 3.81Å; V269-M274 HydrophobicContact CB-SD 4.33Å; V269-M274 HydrophobicContact CG1-CG 4.17Å; V269-M274 HydrophobicContact CG1-SD 3.84Å; V269-V285 HydrophobicContact CG2-CG1 3.96Å; V269-V285 HydrophobicContact CG2-CG2 4.46Å
270P92.4Very high92.6Very high16 Ų1665.2 Ų65.210%0.10432%0.316CS..PPolyproline II helixtrans-72.6154.4-176.429.8-36000111.3Y255 R272 E273 M274Y255-P270 HydrophobicContact CE2-CG 3.96Å; Y255-P270 VanDerWaalsContact CZ-CD 3.43Å; P270-R272 HydrophobicContact CB-CG 4.19Å; P270-R272 HydrophobicContact CG-CG 3.99Å; P270-R272 PolarHBondContact O-N 3.34Å; P270-R272 VanDerWaalsContact O-N 3.15Å; P270-E273 HydrophobicContact CG-CB 4.17Å; P270-E273 PolarHBondContact O-N 2.98Å; P270-M274 PolarHBondContact O-N 3.03Å
271Q91.8Very high93.1Very high127 Ų12769.7 Ų69.759%0.59333%0.333SS*.Hα-helixtrans-54.5-38.8-177.1-171.159.644.100112.6E273 M274 D275Q271-E273 PolarHBondContact O-N 3.18Å; Q271-E273 VanDerWaalsContact O-N 3.14Å; Q271-M274 WeakPolarHBondContact O-CA 3.2Å; Q271-M274 WeakPolarHBondContact O-CB 3.17Å; Q271-M274 PolarHBondContact O-N 3.19Å; Q271-D275 PolarHBondContact NE2-OD1 2.95Å; Q271-D275 PolarHBondContact O-N 3.27Å
272R93.1Very high93.5Very high82 Ų8267.2 Ų67.231%0.30932%0.324SS..Hα-helixtrans-54.3-35.8176.470.1-179.8172.491.1-1.7113.7P270 R276 I417 D420P270-R272 HydrophobicContact CB-CG 4.19Å; P270-R272 HydrophobicContact CG-CG 3.99Å; P270-R272 PolarHBondContact O-N 3.34Å; P270-R272 VanDerWaalsContact O-N 3.15Å; R272-R276 PolarHBondContact O-N 3.32Å; R272-I417 PolarHBondContact NH2-O 3.26Å; R272-D420 IonicContact CZ-OD2 3.9Å; R272-D420 VanDerWaalsContact CZ-OD2 3.25Å; R272-D420 IonicContact NE-OD1 2.61Å; R272-D420 IonicContact NE-OD2 3.08Å; R272-D420 PolarHBondContact NE-OD2 3.45Å; R272-D420 IonicContact NH2-OD2 2.78Å; R272-D420 PolarHBondContact NH2-OD2 3.4Å
273E95.1Very high93.7Very high5 Ų569.6 Ų69.62%0.02334%0.336CS..Hα-helixtrans-85.2-27.5-177.5-17859.1-165.800110.9V269 P270 Q271 R276 R277 V285 R286V269-E273 HydrophobicContact CG1-CB 3.77Å; V269-E273 HydrophobicContact CG1-CG 3.81Å; P270-E273 HydrophobicContact CG-CB 4.17Å; P270-E273 PolarHBondContact O-N 2.98Å; Q271-E273 PolarHBondContact O-N 3.18Å; Q271-E273 VanDerWaalsContact O-N 3.14Å; E273-R276 VanDerWaalsContact CD-NE 3.33Å; E273-R276 IonicContact OE1-CZ 2.76Å; E273-R276 VanDerWaalsContact OE1-CZ 3.31Å; E273-R276 IonicContact OE1-NE 2.74Å; E273-R276 PolarHBondContact OE1-NE 3.17Å; E273-R276 IonicContact OE1-NH2 3.34Å; E273-R276 PolarHBondContact OE1-NH2 3.02Å; E273-R276 WeakPolarHBondContact OE2-CD 3.42Å; E273-R276 IonicContact OE2-CZ 2.82Å; E273-R276 IonicContact OE2-NE 3.01Å; E273-R276 PolarHBondContact OE2-NE 3.2Å; E273-R277 WeakPolarHBondContact O-CG 3.09Å; E273-R277 PolarHBondContact O-N 3.14Å; E273-R277 PolarHBondContact O-NE 3.36Å; E273-V285 HydrophobicContact CG-CG1 4.1Å; E273-R286 PolarHBondContact OE1-N 3.37Å
274M93.2Very high94Very high36 Ų3667.3 Ų67.318%0.17733%0.325CS..Hα-helixtrans-63.8-46.2165.7-60.7-59.6-63.300111M253 V269 P270 Q271 R277 K278M253-M274 HydrophobicContact CE-CE 3.62Å; M253-M274 HydrophobicContact CE-SD 3.58Å; M253-M274 VanDerWaalsContact CE-SD 3.58Å; M253-M274 HydrophobicContact SD-CE 3.84Å; M253-M274 HydrophobicContact SD-SD 3.94Å; V269-M274 HydrophobicContact CB-SD 4.33Å; V269-M274 HydrophobicContact CG1-CG 4.17Å; V269-M274 HydrophobicContact CG1-SD 3.84Å; P270-M274 PolarHBondContact O-N 3.03Å; Q271-M274 WeakPolarHBondContact O-CA 3.2Å; Q271-M274 WeakPolarHBondContact O-CB 3.17Å; Q271-M274 PolarHBondContact O-N 3.19Å; M274-R277 PolarHBondContact O-N 2.95Å; M274-R277 PolarHBondContact SD-NH2 3.14Å; M274-K278 PolarHBondContact O-N 3.46Å
275D94.9Very high94.2Very high98 Ų9865 Ų6552%0.52432%0.315SS..Hα-helixtrans-64.3-42.3-179.5-62.6-21.4000111.4Q271 R277 K278Q271-D275 PolarHBondContact NE2-OD1 2.95Å; Q271-D275 PolarHBondContact O-N 3.27Å; D275-R277 PolarHBondContact O-N 3.48Å; D275-K278 PolarHBondContact O-N 2.98Å
276R95.6Very high94.4Very high91 Ų9164.8 Ų64.834%0.34331%0.314SS..Hα-helixtrans-55.9-39174.9-170.7-166.367.474.9-0.9112.1R272 E273 K278 P284R272-R276 PolarHBondContact O-N 3.32Å; E273-R276 VanDerWaalsContact CD-NE 3.33Å; E273-R276 IonicContact OE1-CZ 2.76Å; E273-R276 VanDerWaalsContact OE1-CZ 3.31Å; E273-R276 IonicContact OE1-NE 2.74Å; E273-R276 PolarHBondContact OE1-NE 3.17Å; E273-R276 IonicContact OE1-NH2 3.34Å; E273-R276 PolarHBondContact OE1-NH2 3.02Å; E273-R276 WeakPolarHBondContact OE2-CD 3.42Å; E273-R276 IonicContact OE2-CZ 2.82Å; E273-R276 IonicContact OE2-NE 3.01Å; E273-R276 PolarHBondContact OE2-NE 3.2Å; R276-K278 VanDerWaalsContact C-N 3.3Å; R276-P284 PolarHBondContact NH2-O 3.19Å
277R95.1Very high94.7Very high5 Ų559.7 Ų59.72%0.01930%0.295CS..THydrogen-bonded Turntrans-81.1-7.3179.3-68.2-173.8-67167.1-1.4113.4E273 M274 D275 G279 D280 L283 V285E273-R277 WeakPolarHBondContact O-CG 3.09Å; E273-R277 PolarHBondContact O-N 3.14Å; E273-R277 PolarHBondContact O-NE 3.36Å; M274-R277 PolarHBondContact O-N 2.95Å; M274-R277 PolarHBondContact SD-NH2 3.14Å; D275-R277 PolarHBondContact O-N 3.48Å; R277-G279 PolarHBondContact O-N 2.84Å; R277-G279 VanDerWaalsContact O-N 3.12Å; R277-D280 PolarHBondContact O-N 3.02Å; R277-L283 HydrophobicContact CB-CD1 4.36Å; R277-L283 HydrophobicContact CG-CB 4.06Å; R277-V285 VanDerWaalsContact CZ-CG2 3.5Å
278K95.1Very high94.9Very high194 Ų19457.9 Ų57.984%0.84329%0.288SS*.THydrogen-bonded Turntrans51.734.7179-56.2-179.5-179.2179.10113.2M274 D275 R276 D280M274-K278 PolarHBondContact O-N 3.46Å; D275-K278 PolarHBondContact O-N 2.98Å; R276-K278 VanDerWaalsContact C-N 3.3Å; K278-D280 VanDerWaalsContact C-N 3.33Å; K278-D280 PolarHBondContact O-N 2.75Å
279G88.3Confident95.2Very high59 Ų5953 Ų5361%0.60826%0.257SS*.THydrogen-bonded Turntrans82.4-5.6-178.200000116R277 R281R277-G279 PolarHBondContact O-N 2.84Å; R277-G279 VanDerWaalsContact O-N 3.12Å; G279-R281 PolarHBondContact O-N 2.97Å
280D94.6Very high95.3Very high66 Ų6652.6 Ų52.635%0.35325%0.254SS..  trans-78.9100.7174.4-175-5.2000111R277 K278 T282 L283R277-D280 PolarHBondContact O-N 3.02Å; K278-D280 VanDerWaalsContact C-N 3.33Å; K278-D280 PolarHBondContact O-N 2.75Å; D280-T282 PolarHBondContact O-N 3.37Å; D280-T282 WeakPolarHBondContact OD1-CA 3.38Å; D280-T282 VanDerWaalsContact OD1-CB 3.3Å; D280-T282 WeakPolarHBondContact OD1-CB 3.41Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.39Å; D280-T282 PolarHBondContact OD1-N 3.13Å; D280-T282 PolarHBondContact OD1-OG1 2.88Å; D280-T282 PolarHBondContact OD2-OG1 3.35Å; D280-L283 HydrophobicContact CB-CD1 3.91Å; D280-L283 HydrophobicContact CB-CG 3.92Å; D280-L283 PolarHBondContact O-N 3.05Å
281R94.9Very high95.4Very high104 Ų10453.4 Ų53.439%0.39226%0.262SS..THydrogen-bonded Turntrans-73.4-10.6179.6-66.2173.865.2-169.52.4113.5L102 D252 G279 L283 T337L102-R281 HydrophobicContact CD1-CB 3.7Å; D252-R281 IonicContact OD1-CZ 3.15Å; D252-R281 IonicContact OD1-NE 3.61Å; D252-R281 IonicContact OD1-NH2 3.89Å; D252-R281 PolarHBondContact OD1-NH2 3.43Å; D252-R281 IonicContact OD2-CZ 2.75Å; D252-R281 IonicContact OD2-NE 2.73Å; D252-R281 PolarHBondContact OD2-NE 2.92Å; D252-R281 IonicContact OD2-NH2 3.32Å; D252-R281 PolarHBondContact OD2-NH2 3.29Å; G279-R281 PolarHBondContact O-N 2.97Å; R281-L283 VanDerWaalsContact C-N 3.28Å; R281-T337 VanDerWaalsContact O-CB 3.3Å; R281-T337 WeakPolarHBondContact O-CB 3.45Å; R281-T337 PolarHBondContact O-OG1 3.06Å
282T95.6Very high95.3Very high20 Ų2047.5 Ų47.512%0.12324%0.235CC..THydrogen-bonded Turntrans-82-8.9175.179.70000113K108 D280 T337K108-T282 PolarHBondContact NZ-O 3.13Å; K108-T282 PolarHBondContact NZ-OG1 3.19Å; D280-T282 PolarHBondContact O-N 3.37Å; D280-T282 WeakPolarHBondContact OD1-CA 3.38Å; D280-T282 VanDerWaalsContact OD1-CB 3.3Å; D280-T282 WeakPolarHBondContact OD1-CB 3.41Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.39Å; D280-T282 PolarHBondContact OD1-N 3.13Å; D280-T282 PolarHBondContact OD1-OG1 2.88Å; D280-T282 PolarHBondContact OD2-OG1 3.35Å; T282-T337 VanDerWaalsContact C-OG1 3.27Å; T282-T337 WeakPolarHBondContact CA-OG1 3.06Å; T282-T337 PolarHBondContact O-OG1 3.19Å
283L96.8Very high95.1Very high57 Ų5744.1 Ų44.130%0.29823%0.226SC..SBendtrans-79145175.4-64.5179.8000111.1R277 D280 R281 T337R277-L283 HydrophobicContact CB-CD1 4.36Å; R277-L283 HydrophobicContact CG-CB 4.06Å; D280-L283 HydrophobicContact CB-CD1 3.91Å; D280-L283 HydrophobicContact CB-CG 3.92Å; D280-L283 PolarHBondContact O-N 3.05Å; R281-L283 VanDerWaalsContact C-N 3.28Å; L283-T337 PolarHBondContact O-OG1 3.25Å
284P97.4Very high95.2Very high23 Ų2344 Ų4415%0.14923%0.225CC..PPolyproline II helixtrans-51.3143174.3-28.636.2000113R276 E334 I335 I336R276-P284 PolarHBondContact NH2-O 3.19Å; P284-E334 HydrophobicContact CB-CB 4.2Å; P284-E334 WeakPolarHBondContact CB-OE2 3.19Å; P284-I335 CarbonylContact C-O 3.51Å; P284-I335 VanDerWaalsContact CA-O 3.3Å; P284-I335 WeakPolarHBondContact CA-O 3.4Å; P284-I336 HydrophobicContact CB-CD1 3.77Å; P284-I336 HydrophobicContact CG-CD1 3.66Å
285V98Very high95.5Very high1 Ų142.4 Ų42.41%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-94.5122.4170.9175.90000108.7V269 E273 R277 T287 E334 I335 T337V269-V285 HydrophobicContact CG2-CG1 3.96Å; V269-V285 HydrophobicContact CG2-CG2 4.46Å; E273-V285 HydrophobicContact CG-CG1 4.1Å; R277-V285 VanDerWaalsContact CZ-CG2 3.5Å; V285-T287 PolarHBondContact O-N 2.88Å; V285-E334 CarbonylContact O-C 3.48Å; V285-E334 VanDerWaalsContact O-CA 3.28Å; V285-E334 WeakPolarHBondContact O-CA 3.26Å; V285-I335 HydrophobicContact CB-CB 4.28Å; V285-I335 PolarHBondContact N-O 3.45Å; V285-I335 PolarHBondContact O-N 3.29Å; V285-T337 HydrophobicContact CG2-CG2 3.91Å
286R97.9Very high95.7Very high114 Ų11437.7 Ų37.743%0.4319%0.192SC..EExtended strand (participates in β ladder)trans-70.2123.4169.6-68.6178.3177.6178.4-0.5109.4E273 W327 E334E273-R286 PolarHBondContact OE1-N 3.37Å; R286-W327 HydrophobicContact CB-CH2 4.25Å; R286-W327 HydrophobicContact CB-CZ2 4.34Å; R286-W327 HydrophobicContact CG-CH2 4.29Å; R286-E334 HydrophobicContact CG-CG 4.47Å
287T98.3Very high95.8Very high1 Ų133.4 Ų33.41%0.00618%0.176CC..  trans-117.7129.8-174.9-171.50000111.1G256 V285 T289 W327 L333 I335G256-T287 WeakPolarHBondContact CA-OG1 3.37Å; G256-T287 PolarHBondContact N-OG1 2.9Å; G256-T287 PolarHBondContact O-OG1 3.34Å; V285-T287 PolarHBondContact O-N 2.88Å; T287-T289 VanDerWaalsContact C-N 3.28Å; T287-T289 VanDerWaalsContact CG2-O 3.32Å; T287-T289 WeakPolarHBondContact CG2-O 3.49Å; T287-T289 PolarHBondContact O-N 2.65Å; T287-T289 PolarHBondContact OG1-O 3.14Å; T287-W327 PolarHBondContact O-NE1 2.78Å; T287-L333 HydrophobicContact CG2-CB 4.33Å; T287-L333 HydrophobicContact CG2-CD2 3.97Å; T287-L333 HydrophobicContact CG2-CG 3.67Å; T287-L333 PolarHBondContact N-O 3.44Å; T287-I335 HydrophobicContact CG2-CD1 4.22Å; T287-I335 HydrophobicContact CG2-CG1 3.86Å
288P98.1Very high96Very high1 Ų134 Ų341%0.00618%0.18CC..SBendtrans-54-45.5174.4-28.132.8000112.7Y255 G256 W327 Y413 I417 Y418Y255-P288 HydrophobicContact CD2-CG 4.14Å; Y255-P288 HydrophobicContact CE2-CG 3.64Å; G256-P288 WeakPolarHBondContact O-CB 3.41Å; G256-P288 WeakPolarHBondContact O-CD 3.46Å; P288-W327 PolarHBondContact O-NE1 3.08Å; P288-Y413 WeakPolarHBondContact CB-OH 3.18Å; P288-Y413 PolarHBondContact O-OH 2.81Å; P288-I417 HydrophobicContact CB-CG2 4.49Å; P288-Y418 HydrophobicContact CB-CD1 3.9Å; P288-Y418 HydrophobicContact CB-CD2 4.09Å; P288-Y418 HydrophobicContact CB-CE1 4.43Å; P288-Y418 HydrophobicContact CB-CG 3.69Å; P288-Y418 HydrophobicContact CG-CD1 4.22Å; P288-Y418 HydrophobicContact CG-CD2 3.47Å; P288-Y418 VanDerWaalsContact CG-CD2 3.47Å; P288-Y418 HydrophobicContact CG-CE2 4.01Å; P288-Y418 HydrophobicContact CG-CG 3.59Å
289T98.3Very high96.2Very high0 Ų026.8 Ų26.80%015%0.148CC..BIsolated β-bridgetrans-134.7163-179.268.20000111.8G256 G257 F258 F264 T287 L320 S323 F324G256-T289 WeakPolarHBondContact CA-O 3.28Å; G256-T289 PolarHBondContact O-N 3.4Å; G256-T289 PolarHBondContact O-OG1 2.82Å; G257-T289 WeakPolarHBondContact CA-OG1 3.04Å; G257-T289 PolarHBondContact N-OG1 3.06Å; G257-T289 PolarHBondContact O-OG1 3.25Å; F258-T289 HydrophobicContact CD1-CG2 3.67Å; F258-T289 HydrophobicContact CE1-CG2 4.3Å; F264-T289 WeakPolarHBondContact CD2-OG1 3.33Å; T287-T289 VanDerWaalsContact C-N 3.28Å; T287-T289 VanDerWaalsContact CG2-O 3.32Å; T287-T289 WeakPolarHBondContact CG2-O 3.49Å; T287-T289 PolarHBondContact O-N 2.65Å; T287-T289 PolarHBondContact OG1-O 3.14Å; T289-L320 HydrophobicContact CG2-CD2 3.61Å; T289-S323 WeakPolarHBondContact CA-OG 3.48Å; T289-F324 HydrophobicContact CG2-CE1 4.14Å
290M97.4Very high96.7Very high4 Ų427.4 Ų27.42%0.0214%0.14CC..  trans-111.3154.8170.858.2172.8-176.900110.9F264 G292 F295 N319 M322 S323 L333F264-M290 WeakPolarHBondContact CD2-O 3.46Å; M290-G292 PolarHBondContact O-N 2.61Å; M290-F295 HydrophobicContact CE-CD1 4.27Å; M290-F295 HydrophobicContact CE-CE1 4.24Å; M290-F295 HydrophobicContact SD-CB 4.24Å; M290-F295 HydrophobicContact SD-CD1 3.95Å; M290-F295 HydrophobicContact SD-CG 4.06Å; M290-N319 PolarHBondContact O-ND2 2.74Å; M290-M322 HydrophobicContact CE-CB 3.94Å; M290-M322 HydrophobicContact CE-CE 3.73Å; M290-M322 HydrophobicContact CE-CG 3.77Å; M290-M322 HydrophobicContact CE-SD 3.59Å; M290-M322 VanDerWaalsContact CE-SD 3.59Å; M290-S323 PolarHBondContact N-OG 3.16Å; M290-S323 VanDerWaalsContact N-OG 3.13Å; M290-L333 HydrophobicContact CB-CD1 4.22Å; M290-L333 HydrophobicContact CB-CD2 3.96Å; M290-L333 HydrophobicContact CB-CG 4.48Å; M290-L333 HydrophobicContact CG-CD1 4.29Å; M290-L333 HydrophobicContact CG-CD2 4.1Å; M290-L333 HydrophobicContact SD-CD1 4.11Å
291A94.3Very high96.9Very high34 Ų3424.6 Ų24.628%0.28113%0.125SC..  trans-61.4-29.8169.300000111.4I237 F264 W266I237-A291 HydrophobicContact CD1-CB 3.84Å; F264-A291 HydrophobicContact CE1-CB 4.01Å; F264-A291 HydrophobicContact CE2-CB 4.42Å; F264-A291 HydrophobicContact CZ-CB 3.91Å; W266-A291 HydrophobicContact CZ2-CB 4.06Å
292G88.6Confident97Very high2 Ų219.8 Ų19.82%0.02111%0.107CC..SBendtrans91.7-16171.700000115.2R192 M290R192-G292 PolarHBondContact NH1-O 2.81Å; R192-G292 PolarHBondContact NH2-O 3.4Å; M290-G292 PolarHBondContact O-N 2.61Å
293G89.1Confident97.2Very high11 Ų1123.6 Ų23.611%0.11312%0.123CC..SBendtrans-66-47.317600000113.3R192 D208R192-G293 VanDerWaalsContact NH2-CA 3.35Å; R192-G293 PolarHBondContact NH2-O 3.31Å; D208-G293 WeakPolarHBondContact OD2-CA 3.4Å
294L98Very high97.2Very high3 Ų325 Ų252%0.01613%0.129CC..SBendtrans-127.4116.9-168.1-64.182.3000111F206 L207 C234 P235 I237 V341F206-L294 WeakPolarHBondContact O-CA 3.36Å; L207-L294 HydrophobicContact CD2-CB 4.32Å; L207-L294 HydrophobicContact CD2-CD2 3.74Å; L207-L294 HydrophobicContact CD2-CG 3.93Å; C234-L294 PolarHBondContact SG-O 3.31Å; P235-L294 HydrophobicContact CG-CB 3.99Å; P235-L294 HydrophobicContact CG-CD2 4.27Å; I237-L294 HydrophobicContact CD1-CD1 4.18Å; L294-V341 HydrophobicContact CD2-CB 3.6Å; L294-V341 HydrophobicContact CD2-CG1 3.33Å; L294-V341 HydrophobicContact CD2-CG2 4.35Å
295F98.8Very high97.2Very high2 Ų224.1 Ų24.11%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-163.5160.7174.766.7-83.5000111.6T205 F206 V232 V233 M290 I297 Y308 M322T205-F295 CarbonylContact C-O 3.55Å; T205-F295 WeakPolarHBondContact CA-O 3.15Å; F206-F295 HydrophobicContact CB-CD1 4.28Å; F206-F295 HydrophobicContact CB-CE1 4.01Å; F206-F295 HydrophobicContact CB-CZ 4.35Å; F206-F295 HydrophobicContact CD2-CD1 4.37Å; F206-F295 HydrophobicContact CD2-CD2 4.09Å; F206-F295 AromaticContact CD2-CE1 3.72Å; F206-F295 HydrophobicContact CD2-CE1 3.72Å; F206-F295 AromaticContact CD2-CE2 3.38Å; F206-F295 HydrophobicContact CD2-CE2 3.38Å; F206-F295 AromaticContact CD2-CZ 3.17Å; F206-F295 HydrophobicContact CD2-CZ 3.17Å; F206-F295 HydrophobicContact CE2-CE1 4.46Å; F206-F295 AromaticContact CE2-CE2 3.68Å; F206-F295 HydrophobicContact CE2-CE2 3.68Å; F206-F295 AromaticContact CE2-CZ 3.55Å; F206-F295 HydrophobicContact CE2-CZ 3.55Å; F206-F295 HydrophobicContact CG-CE1 4.05Å; F206-F295 HydrophobicContact CG-CE2 4.45Å; F206-F295 AromaticContact CG-CZ 3.92Å; F206-F295 HydrophobicContact CG-CZ 3.92Å; F206-F295 PolarHBondContact N-O 2.77Å; F206-F295 PolarHBondContact O-N 2.98Å; V232-F295 HydrophobicContact CG1-CB 4.48Å; V232-F295 HydrophobicContact CG1-CD2 3.85Å; V232-F295 HydrophobicContact CG1-CG 4.47Å; V233-F295 CarbonylContact O-C 3.01Å; V233-F295 VanDerWaalsContact O-CA 3.26Å; V233-F295 WeakPolarHBondContact O-CA 3.1Å; M290-F295 HydrophobicContact CE-CD1 4.27Å; M290-F295 HydrophobicContact CE-CE1 4.24Å; M290-F295 HydrophobicContact SD-CB 4.24Å; M290-F295 HydrophobicContact SD-CD1 3.95Å; M290-F295 HydrophobicContact SD-CG 4.06Å; F295-I297 HydrophobicContact CD2-CB 4.3Å; F295-I297 HydrophobicContact CD2-CG2 4.24Å; F295-I297 HydrophobicContact CE2-CB 4.27Å; F295-I297 HydrophobicContact CE2-CG2 3.8Å; F295-Y308 WeakPolarHBondContact CE1-OH 3.42Å; F295-Y308 WeakPolarHBondContact CZ-OH 3.45Å; F295-M322 HydrophobicContact CD2-CE 3.98Å; F295-M322 HydrophobicContact CE2-CE 3.38Å; F295-M322 HydrophobicContact CE2-SD 4.39Å; F295-M322 HydrophobicContact CZ-CE 3.69Å; F295-M322 HydrophobicContact CZ-SD 4.12Å
296S98.9Very high97.2Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-117.7143169.8-56.30000110.6I204 T205 V233I204-S296 VanDerWaalsContact O-CA 3.3Å; I204-S296 WeakPolarHBondContact O-CA 3.34Å; T205-S296 WeakPolarHBondContact CB-OG 3.46Å; T205-S296 VanDerWaalsContact CG2-OG 3.26Å; T205-S296 WeakPolarHBondContact CG2-OG 3.37Å; T205-S296 PolarHBondContact OG1-OG 3.14Å; V233-S296 PolarHBondContact N-O 3.34Å; V233-S296 PolarHBondContact O-N 2.89Å
297I98.9Very high97.2Very high0 Ų020.7 Ų20.70%012%0.119CC..EExtended strand (participates in β ladder)trans-147141.8179.8-171.7166.8000110.1V203 I204 F206 V232 F295 K299 Y301 F302 I305 M322V203-I297 WeakPolarHBondContact CG1-O 3.46Å; I204-I297 HydrophobicContact CB-CG2 4.41Å; I204-I297 PolarHBondContact N-O 2.85Å; I204-I297 PolarHBondContact O-N 3.43Å; F206-I297 HydrophobicContact CE2-CG2 4.31Å; V232-I297 HydrophobicContact CG1-CB 4.38Å; V232-I297 HydrophobicContact CG1-CD1 4.41Å; V232-I297 HydrophobicContact CG2-CB 4.49Å; V232-I297 HydrophobicContact CG2-CD1 3.5Å; V232-I297 HydrophobicContact CG2-CG1 3.87Å; F295-I297 HydrophobicContact CD2-CB 4.3Å; F295-I297 HydrophobicContact CD2-CG2 4.24Å; F295-I297 HydrophobicContact CE2-CB 4.27Å; F295-I297 HydrophobicContact CE2-CG2 3.8Å; I297-K299 PolarHBondContact O-N 3.32Å; I297-Y301 HydrophobicContact CD1-CD1 3.95Å; I297-Y301 HydrophobicContact CD1-CE1 4.47Å; I297-Y301 HydrophobicContact CG1-CD1 4.02Å; I297-F302 HydrophobicContact CD1-CB 3.94Å; I297-F302 HydrophobicContact CD1-CD2 4.11Å; I297-F302 HydrophobicContact CG1-CB 4.19Å; I297-F302 HydrophobicContact CG2-CB 3.97Å; I297-F302 HydrophobicContact CG2-CD2 4.18Å; I297-F302 HydrophobicContact CG2-CG 4.28Å; I297-I305 HydrophobicContact CD1-CD1 4.14Å; I297-M322 HydrophobicContact CD1-CE 4.09Å
298D98.9Very high97.2Very high19 Ų1920.8 Ų20.810%0.10212%0.119CC..EExtended strand (participates in β ladder)trans-56.1130.9168.6174.6-100.8000110.4I225 R229 T300 Y301 F302I225-D298 HydrophobicContact CG2-CB 3.96Å; R229-D298 VanDerWaalsContact CD-CG 3.49Å; R229-D298 VanDerWaalsContact CD-OD1 3.28Å; R229-D298 WeakPolarHBondContact CD-OD1 3.44Å; R229-D298 HydrophobicContact CG-CB 3.52Å; R229-D298 VanDerWaalsContact CG-OD1 3.28Å; R229-D298 WeakPolarHBondContact CG-OD1 3.25Å; R229-D298 WeakPolarHBondContact CG-OD2 3.38Å; R229-D298 IonicContact CZ-OD1 3.86Å; R229-D298 IonicContact NE-OD1 2.84Å; R229-D298 IonicContact NH1-OD1 3.77Å; R229-D298 PolarHBondContact NH1-OD1 3.3Å; R229-D298 WeakPolarHBondContact O-CB 3.43Å; D298-T300 PolarHBondContact O-N 2.8Å; D298-T300 WeakPolarHBondContact OD1-CB 3.41Å; D298-T300 PolarHBondContact OD1-N 3.3Å; D298-Y301 PolarHBondContact O-N 3.39Å; D298-Y301 WeakPolarHBondContact OD1-CB 3.34Å; D298-Y301 PolarHBondContact OD1-N 3.27Å; D298-F302 PolarHBondContact O-N 3.38Å
299K98.7Very high97.2Very high42 Ų4220.9 Ų20.918%0.18312%0.119CC..Hα-helixtrans-60.5-46.7-174.2175.5172.3-178-174.40111.7T199 Q202 I204 I297 Y301 F302 E303T199-K299 PolarHBondContact O-NZ 2.99Å; Q202-K299 VanDerWaalsContact O-CB 3.29Å; Q202-K299 WeakPolarHBondContact O-CB 3.4Å; Q202-K299 PolarHBondContact O-N 3.24Å; I204-K299 HydrophobicContact CD1-CB 4.18Å; I204-K299 HydrophobicContact CD1-CG 3.99Å; I204-K299 HydrophobicContact CG1-CB 3.99Å; I204-K299 HydrophobicContact CG1-CG 4.23Å; I297-K299 PolarHBondContact O-N 3.32Å; K299-Y301 VanDerWaalsContact C-N 3.31Å; K299-Y301 PolarHBondContact O-N 2.93Å; K299-F302 WeakPolarHBondContact O-CB 3.39Å; K299-F302 PolarHBondContact O-N 2.61Å; K299-E303 VanDerWaalsContact CE-OE1 3.27Å; K299-E303 WeakPolarHBondContact CE-OE1 3.27Å; K299-E303 PolarHBondContact O-N 2.86Å; K299-E303 VanDerWaalsContact O-N 3.16Å
300T98.6Very high97Very high72 Ų7224.2 Ų24.244%0.44214%0.141SC..Hα-helixtrans-65.2-39.3180-570000110.5D298 E303 E304D298-T300 PolarHBondContact O-N 2.8Å; D298-T300 WeakPolarHBondContact OD1-CB 3.41Å; D298-T300 PolarHBondContact OD1-N 3.3Å; T300-E303 PolarHBondContact O-N 3.37Å; T300-E304 HydrophobicContact CG2-CG 4.25Å; T300-E304 WeakPolarHBondContact O-CB 3.28Å; T300-E304 WeakPolarHBondContact O-CG 3.48Å; T300-E304 PolarHBondContact O-N 3.35Å
301Y98.8Very high96.9Very high6 Ų624.9 Ų24.92%0.02415%0.149CC..Hα-helixtrans-64.8-42.4177-173.6-124.3000111.5R229 R230 V232 I297 D298 K299 E303 E304 I305 G331R229-Y301 VanDerWaalsContact NH1-CA 3.3Å; R230-Y301 HydrophobicContact CB-CD2 4.39Å; R230-Y301 HydrophobicContact CB-CE1 4.14Å; R230-Y301 HydrophobicContact CB-CE2 3.94Å; R230-Y301 HydrophobicContact CG-CD2 3.94Å; R230-Y301 HydrophobicContact CG-CE2 3.69Å; R230-Y301 VanDerWaalsContact O-CE1 3.29Å; R230-Y301 WeakPolarHBondContact O-CE1 3.49Å; V232-Y301 HydrophobicContact CG2-CD1 4.41Å; V232-Y301 HydrophobicContact CG2-CE1 4.06Å; I297-Y301 HydrophobicContact CD1-CD1 3.95Å; I297-Y301 HydrophobicContact CD1-CE1 4.47Å; I297-Y301 HydrophobicContact CG1-CD1 4.02Å; D298-Y301 PolarHBondContact O-N 3.39Å; D298-Y301 WeakPolarHBondContact OD1-CB 3.34Å; D298-Y301 PolarHBondContact OD1-N 3.27Å; K299-Y301 VanDerWaalsContact C-N 3.31Å; K299-Y301 PolarHBondContact O-N 2.93Å; Y301-E303 VanDerWaalsContact C-N 3.28Å; Y301-E303 PolarHBondContact O-N 3.06Å; Y301-E304 PolarHBondContact O-N 2.76Å; Y301-I305 HydrophobicContact CD1-CD1 4.34Å; Y301-I305 HydrophobicContact CD2-CG2 3.87Å; Y301-I305 HydrophobicContact CE1-CD1 3.96Å; Y301-I305 HydrophobicContact CE1-CG2 4.24Å; Y301-I305 HydrophobicContact CE2-CG2 3.31Å; Y301-I305 VanDerWaalsContact O-CG1 3.31Å; Y301-I305 WeakPolarHBondContact O-CG1 3.46Å; Y301-I305 PolarHBondContact O-N 3.07Å; Y301-G331 VanDerWaalsContact OH-CA 3.26Å; Y301-G331 WeakPolarHBondContact OH-CA 3.07Å; Y301-G331 PolarHBondContact OH-N 2.78Å
302F98.6Very high97Very high3 Ų323.3 Ų23.31%0.01314%0.136CC..Hα-helixtrans-55.2-44.4174.8179.2-111.1000111.6L193 A196 I204 F206 I297 D298 K299 S307 Y308L193-F302 HydrophobicContact CD2-CZ 4.28Å; A196-F302 HydrophobicContact CB-CD1 4.31Å; A196-F302 HydrophobicContact CB-CE1 3.66Å; A196-F302 HydrophobicContact CB-CZ 4.44Å; I204-F302 HydrophobicContact CD1-CD1 4.1Å; F206-F302 HydrophobicContact CZ-CZ 4.36Å; I297-F302 HydrophobicContact CD1-CB 3.94Å; I297-F302 HydrophobicContact CD1-CD2 4.11Å; I297-F302 HydrophobicContact CG1-CB 4.19Å; I297-F302 HydrophobicContact CG2-CB 3.97Å; I297-F302 HydrophobicContact CG2-CD2 4.18Å; I297-F302 HydrophobicContact CG2-CG 4.28Å; D298-F302 PolarHBondContact O-N 3.38Å; K299-F302 WeakPolarHBondContact O-CB 3.39Å; K299-F302 PolarHBondContact O-N 2.61Å; F302-S307 VanDerWaalsContact CE1-CB 3.47Å; F302-S307 WeakPolarHBondContact CE1-OG 3.36Å; F302-S307 VanDerWaalsContact O-CA 3.26Å; F302-S307 WeakPolarHBondContact O-CA 3.3Å; F302-S307 PolarHBondContact O-N 3.27Å; F302-S307 PolarHBondContact O-OG 3.08Å; F302-Y308 HydrophobicContact CE2-CD2 4.23Å; F302-Y308 HydrophobicContact CE2-CE2 4.36Å; F302-Y308 HydrophobicContact CZ-CD2 4.04Å; F302-Y308 HydrophobicContact CZ-CE2 4.42Å
303E98.1Very high97.1Very high100 Ų10024.8 Ų24.847%0.46714%0.143SC..Hα-helixtrans-69.1-45.7176.9-67.7170-177.500112.4K299 T300 Y301 I305 G306K299-E303 VanDerWaalsContact CE-OE1 3.27Å; K299-E303 WeakPolarHBondContact CE-OE1 3.27Å; K299-E303 PolarHBondContact O-N 2.86Å; K299-E303 VanDerWaalsContact O-N 3.16Å; T300-E303 PolarHBondContact O-N 3.37Å; Y301-E303 VanDerWaalsContact C-N 3.28Å; Y301-E303 PolarHBondContact O-N 3.06Å; E303-I305 VanDerWaalsContact C-N 3.32Å; E303-I305 PolarHBondContact O-N 2.73Å; E303-G306 WeakPolarHBondContact O-CA 3.36Å; E303-G306 PolarHBondContact O-N 2.86Å
304E97.9Very high97.1Very high88 Ų8825.1 Ų25.141%0.41114%0.142SC..Hα-helixtrans-57.5-42.2179.3-77.2168.5169.700112.5R229 T300 Y301 G306R229-E304 IonicContact CZ-OE1 3.83Å; R229-E304 IonicContact CZ-OE2 3.84Å; R229-E304 IonicContact NH1-OE1 3.06Å; R229-E304 IonicContact NH1-OE2 2.75Å; R229-E304 PolarHBondContact NH1-OE2 3.18Å; R229-E304 VanDerWaalsContact NH2-CD 3.3Å; R229-E304 IonicContact NH2-OE1 3.3Å; R229-E304 PolarHBondContact NH2-OE1 2.75Å; R229-E304 IonicContact NH2-OE2 3.46Å; R229-E304 PolarHBondContact NH2-OE2 3.15Å; T300-E304 HydrophobicContact CG2-CG 4.25Å; T300-E304 WeakPolarHBondContact O-CB 3.28Å; T300-E304 WeakPolarHBondContact O-CG 3.48Å; T300-E304 PolarHBondContact O-N 3.35Å; Y301-E304 PolarHBondContact O-N 2.76Å; E304-G306 PolarHBondContact O-N 3.37Å
305I97.8Very high96.7Very high4 Ų430.7 Ų30.72%0.02116%0.163CC..THydrogen-bonded Turntrans-80.93.7177.569.9-179.4000112.3I297 Y301 E303 R325 I326 L401I297-I305 HydrophobicContact CD1-CD1 4.14Å; Y301-I305 HydrophobicContact CD1-CD1 4.34Å; Y301-I305 HydrophobicContact CD2-CG2 3.87Å; Y301-I305 HydrophobicContact CE1-CD1 3.96Å; Y301-I305 HydrophobicContact CE1-CG2 4.24Å; Y301-I305 HydrophobicContact CE2-CG2 3.31Å; Y301-I305 VanDerWaalsContact O-CG1 3.31Å; Y301-I305 WeakPolarHBondContact O-CG1 3.46Å; Y301-I305 PolarHBondContact O-N 3.07Å; E303-I305 VanDerWaalsContact C-N 3.32Å; E303-I305 PolarHBondContact O-N 2.73Å; I305-R325 VanDerWaalsContact O-CD 3.28Å; I305-R325 WeakPolarHBondContact O-CD 3.49Å; I305-R325 PolarHBondContact O-NH1 3.15Å; I305-I326 HydrophobicContact CD1-CG1 4.03Å; I305-L401 WeakPolarHBondContact O-CD2 3.45Å
306G97.6Very high96.3Very high18 Ų1830.8 Ų30.819%0.18617%0.165CC..THydrogen-bonded Turntrans81.734.2175.700000114.9E303 E304 Y308 R398E303-G306 WeakPolarHBondContact O-CA 3.36Å; E303-G306 PolarHBondContact O-N 2.86Å; E304-G306 PolarHBondContact O-N 3.37Å; G306-Y308 PolarHBondContact O-N 3.22Å; G306-R398 PolarHBondContact O-NH1 3.29Å
307S97.6Very high96Very high25 Ų2531.1 Ų31.118%0.17517%0.168CC..SBendtrans51.4-118.1167.3-52.90000114.4L193 F302 R325L193-S307 VanDerWaalsContact CD2-CB 3.47Å; F302-S307 VanDerWaalsContact CE1-CB 3.47Å; F302-S307 WeakPolarHBondContact CE1-OG 3.36Å; F302-S307 VanDerWaalsContact O-CA 3.26Å; F302-S307 WeakPolarHBondContact O-CA 3.3Å; F302-S307 PolarHBondContact O-N 3.27Å; F302-S307 PolarHBondContact O-OG 3.08Å; S307-R325 PolarHBondContact O-NH1 3.37Å; S307-R325 PolarHBondContact O-NH2 3.44Å
308Y97.8Very high95.9Very high3 Ų331.3 Ų31.31%0.01217%0.169CC..SBendtrans-113158.9166.1-82.5-68000109.5I189 R192 L193 F295 F302 G306 P310 E318 M322I189-Y308 HydrophobicContact CG2-CG 4.11Å; R192-Y308 HydrophobicContact CB-CD2 4.38Å; R192-Y308 HydrophobicContact CB-CE2 4.12Å; R192-Y308 PolarHBondContact NH1-OH 3.44Å; L193-Y308 HydrophobicContact CD2-CD2 4.49Å; F295-Y308 WeakPolarHBondContact CE1-OH 3.42Å; F295-Y308 WeakPolarHBondContact CZ-OH 3.45Å; F302-Y308 HydrophobicContact CE2-CD2 4.23Å; F302-Y308 HydrophobicContact CE2-CE2 4.36Å; F302-Y308 HydrophobicContact CZ-CD2 4.04Å; F302-Y308 HydrophobicContact CZ-CE2 4.42Å; G306-Y308 PolarHBondContact O-N 3.22Å; Y308-P310 WeakPolarHBondContact O-CD 3.44Å; Y308-E318 HydrophobicContact CD1-CB 4.12Å; Y308-E318 HydrophobicContact CD1-CG 4.46Å; Y308-E318 HydrophobicContact CE1-CB 3.99Å; Y308-E318 HydrophobicContact CE1-CG 3.91Å; Y308-M322 HydrophobicContact CD1-SD 4.36Å; Y308-M322 HydrophobicContact CE1-CB 4.19Å; Y308-M322 HydrophobicContact CE1-SD 3.68Å
309D97.8Very high95.8Very high3 Ų331.1 Ų31.12%0.01617%0.167CC..  trans-67.1110.5167.7178.18.7000110.6G311 M312 R367 R398D309-G311 PolarHBondContact O-N 3.27Å; D309-G311 PolarHBondContact OD1-N 3.2Å; D309-M312 HydrophobicContact CB-CG 4.09Å; D309-M312 HydrophobicContact CB-SD 4.38Å; D309-M312 PolarHBondContact O-N 2.99Å; D309-R367 IonicContact OD1-CZ 3.85Å; D309-R367 IonicContact OD1-NE 3.77Å; D309-R367 IonicContact OD1-NH2 2.69Å; D309-R367 PolarHBondContact OD1-NH2 3.37Å; D309-R367 IonicContact OD2-CZ 3.76Å; D309-R367 VanDerWaalsContact OD2-CZ 3.3Å; D309-R367 IonicContact OD2-NE 3.24Å; D309-R367 PolarHBondContact OD2-NE 3.04Å; D309-R367 IonicContact OD2-NH2 3.46Å; D309-R367 PolarHBondContact OD2-NH2 3.12Å; D309-R398 HydrophobicContact CB-CG 4.42Å
310P95.3Very high95.8Very high70 Ų7029.1 Ų29.146%0.45516%0.159SC..THydrogen-bonded Turntrans-69.6-14-177.131-36.4000113.2R190 L193 Y308 M312R190-P310 PolarHBondContact NE-O 2.91Å; R190-P310 VanDerWaalsContact NE-O 3.07Å; R190-P310 PolarHBondContact NH2-O 2.93Å; R190-P310 VanDerWaalsContact NH2-O 3.15Å; L193-P310 HydrophobicContact CD1-CB 4.14Å; Y308-P310 WeakPolarHBondContact O-CD 3.44Å; P310-M312 VanDerWaalsContact C-N 3.31Å
311G95.6Very high95.8Very high18 Ų1825.8 Ų25.819%0.18614%0.138CC..THydrogen-bonded Turntrans-80.8-7.7176.900000114.4D309 R367D309-G311 PolarHBondContact O-N 3.27Å; D309-G311 PolarHBondContact OD1-N 3.2Å; G311-R367 WeakPolarHBondContact O-CD 3.3Å
312M95.4Very high95.8Very high0 Ų025.5 Ų25.50%014%0.137CC..  trans-77.1143.5170.3-67.6-174.616600111.3I189 D309 P310 E318 E321 N364 L368I189-M312 HydrophobicContact CD1-CB 3.58Å; D309-M312 HydrophobicContact CB-CG 4.09Å; D309-M312 HydrophobicContact CB-SD 4.38Å; D309-M312 PolarHBondContact O-N 2.99Å; P310-M312 VanDerWaalsContact C-N 3.31Å; M312-E318 HydrophobicContact SD-CB 3.85Å; M312-E321 HydrophobicContact CE-CB 3.67Å; M312-E321 HydrophobicContact CE-CG 3.78Å; M312-N364 VanDerWaalsContact CA-OD1 3.28Å; M312-N364 WeakPolarHBondContact CA-OD1 3.17Å; M312-N364 HydrophobicContact CB-CB 4.45Å; M312-N364 HydrophobicContact CE-CB 4.42Å; M312-N364 HydrophobicContact CG-CB 4.14Å; M312-N364 HydrophobicContact SD-CB 4.36Å; M312-L368 HydrophobicContact CE-CB 3.89Å
313D91.2Very high95.8Very high33 Ų3325.4 Ų25.418%0.17614%0.137CC..  trans-110.8143-175-67.7-43.6000111.9R190 W315 V360 K363 N364R190-D313 IonicContact CZ-OD1 3.61Å; R190-D313 VanDerWaalsContact CZ-OD1 3.32Å; R190-D313 IonicContact NH1-OD1 3.38Å; R190-D313 PolarHBondContact NH1-OD1 3.38Å; R190-D313 VanDerWaalsContact NH1-OD1 3.15Å; R190-D313 IonicContact NH2-OD1 2.93Å; R190-D313 PolarHBondContact NH2-OD1 3.27Å; D313-W315 VanDerWaalsContact C-N 3.34Å; D313-W315 PolarHBondContact O-N 2.99Å; D313-V360 HydrophobicContact CB-CG1 4.18Å; D313-V360 WeakPolarHBondContact O-CG1 3.29Å; D313-K363 WeakPolarHBondContact OD2-CD 3.27Å; D313-K363 VanDerWaalsContact OD2-CE 3.29Å; D313-K363 WeakPolarHBondContact OD2-CE 3.07Å; D313-K363 IonicContact OD2-NZ 3.22Å; D313-K363 PolarHBondContact OD2-NZ 2.95Å; D313-N364 PolarHBondContact N-OD1 2.88Å; D313-N364 PolarHBondContact O-ND2 2.97Å
314I87.9Confident95.8Very high18 Ų1820.6 Ų20.69%0.09211%0.114CC..BIsolated β-bridgetrans53.2-80.5170.5-49.6-59000115.1L188 F353 V360L188-I314 WeakPolarHBondContact CB-O 3.44Å; L188-I314 PolarHBondContact N-O 2.75Å; I314-F353 HydrophobicContact CB-CD1 4.35Å; I314-F353 HydrophobicContact CB-CE1 4.46Å; I314-F353 HydrophobicContact CG2-CD1 3.92Å; I314-F353 HydrophobicContact CG2-CE1 3.82Å; I314-V360 HydrophobicContact CB-CG1 4.07Å
315W90.7Very high95.9Very high121 Ų12116.4 Ų16.446%0.45810%0.095SC..SBendtrans-162.1145.5-172.5-178.587.9000111.1D313 F353 I361D313-W315 VanDerWaalsContact C-N 3.34Å; D313-W315 PolarHBondContact O-N 2.99Å; W315-F353 HydrophobicContact CB-CE1 4.21Å; W315-I361 HydrophobicContact CE3-CD1 4.2Å; W315-I361 HydrophobicContact CE3-CG1 4.49Å; W315-I361 HydrophobicContact CZ3-CD1 3.89Å
316G90.3Very high95.9Very high4 Ų416.2 Ų16.24%0.0419%0.094CC..SBendtrans110.6133.5169.500000112.3E318 N364G316-E318 VanDerWaalsContact C-N 3.25Å; G316-E318 VanDerWaalsContact CA-OE2 3.28Å; G316-E318 WeakPolarHBondContact CA-OE2 3.25Å; G316-E318 PolarHBondContact N-OE2 3.31Å; G316-E318 PolarHBondContact O-N 3.47Å; G316-N364 WeakPolarHBondContact O-CB 3.29Å; G316-N364 PolarHBondContact O-ND2 3.43Å
317G93.4Very high96Very high6 Ų616.2 Ų16.26%0.0629%0.088CC..SBendtrans84-19.417600000114.8N319 L320 E321 N365 L368G317-N319 VanDerWaalsContact C-N 3.28Å; G317-N319 PolarHBondContact O-N 2.87Å; G317-L320 PolarHBondContact O-N 2.86Å; G317-E321 PolarHBondContact O-N 3.24Å; G317-N365 WeakPolarHBondContact CA-OD1 3.39Å; G317-L368 WeakPolarHBondContact O-CD2 3.19Å
318E96.4Very high96Very high5 Ų515.1 Ų15.12%0.0238%0.08CC..Hα-helixtrans-65.6-32.4-177.779.6-67.716500112.8I189 Y308 M312 G316 M322I189-E318 HydrophobicContact CD1-CB 4.02Å; I189-E318 HydrophobicContact CD1-CG 4.36Å; I189-E318 HydrophobicContact CG1-CB 3.71Å; I189-E318 HydrophobicContact CG1-CG 3.77Å; Y308-E318 HydrophobicContact CD1-CB 4.12Å; Y308-E318 HydrophobicContact CD1-CG 4.46Å; Y308-E318 HydrophobicContact CE1-CB 3.99Å; Y308-E318 HydrophobicContact CE1-CG 3.91Å; M312-E318 HydrophobicContact SD-CB 3.85Å; G316-E318 VanDerWaalsContact C-N 3.25Å; G316-E318 VanDerWaalsContact CA-OE2 3.28Å; G316-E318 WeakPolarHBondContact CA-OE2 3.25Å; G316-E318 PolarHBondContact N-OE2 3.31Å; G316-E318 PolarHBondContact O-N 3.47Å; E318-M322 VanDerWaalsContact O-CB 3.32Å; E318-M322 WeakPolarHBondContact O-CB 3.2Å; E318-M322 PolarHBondContact O-N 2.8Å
319N97.3Very high96.1Very high14 Ų1416 Ų168%0.0759%0.087CC..Hα-helixtrans-67.9-39.9177.267.6-53.4000111.3M290 G317 S323M290-N319 PolarHBondContact O-ND2 2.74Å; G317-N319 VanDerWaalsContact C-N 3.28Å; G317-N319 PolarHBondContact O-N 2.87Å; N319-S323 WeakPolarHBondContact O-CB 3.13Å; N319-S323 PolarHBondContact O-N 2.92Å; N319-S323 PolarHBondContact O-OG 2.89Å
320L98.2Very high96.1Very high1 Ų117.9 Ų17.91%0.00511%0.107CC..Hα-helixtrans-71.7-45.3175.5-62.6-175.3000111.6F258 L262 T289 G317 M322 S323 F324 L368F258-L320 HydrophobicContact CB-CD1 4.24Å; F258-L320 HydrophobicContact CB-CD2 3.95Å; F258-L320 HydrophobicContact CG-CD2 4.41Å; L262-L320 HydrophobicContact CB-CD1 3.97Å; L262-L320 WeakPolarHBondContact O-CD1 3.28Å; T289-L320 HydrophobicContact CG2-CD2 3.61Å; G317-L320 PolarHBondContact O-N 2.86Å; L320-M322 VanDerWaalsContact C-N 3.32Å; L320-M322 PolarHBondContact O-N 3.33Å; L320-S323 PolarHBondContact O-N 3.07Å; L320-F324 HydrophobicContact CB-CE2 4.42Å; L320-F324 HydrophobicContact CB-CZ 4.25Å; L320-F324 WeakPolarHBondContact O-CB 3.31Å; L320-F324 WeakPolarHBondContact O-CD1 3.3Å; L320-F324 WeakPolarHBondContact O-CG 3.2Å; L320-F324 PolarHBondContact O-N 3.36Å; L320-L368 HydrophobicContact CB-CD2 4.23Å
321E98.6Very high96.2Very high2 Ų215 Ų151%0.0099%0.09CC..Hα-helixtrans-53.5-50.2176.1-172.4-80.7164.100111.5M312 G317 F324 R325 L368 W372 R398M312-E321 HydrophobicContact CE-CB 3.67Å; M312-E321 HydrophobicContact CE-CG 3.78Å; G317-E321 PolarHBondContact O-N 3.24Å; E321-F324 PolarHBondContact O-N 2.78Å; E321-R325 WeakPolarHBondContact O-CB 3.41Å; E321-R325 PolarHBondContact O-N 3.48Å; E321-R325 IonicContact OE1-CZ 3.77Å; E321-R325 IonicContact OE1-NE 2.7Å; E321-R325 PolarHBondContact OE1-NE 3.17Å; E321-R325 IonicContact OE1-NH2 3.16Å; E321-R325 IonicContact OE2-CZ 3.74Å; E321-R325 IonicContact OE2-NE 2.89Å; E321-R325 PolarHBondContact OE2-NE 3.29Å; E321-R325 IonicContact OE2-NH2 2.76Å; E321-R325 PolarHBondContact OE2-NH2 2.61Å; E321-L368 HydrophobicContact CB-CB 3.85Å; E321-L368 HydrophobicContact CG-CB 4.08Å; E321-W372 PolarHBondContact OE1-NE1 2.96Å; E321-R398 IonicContact OE1-CZ 3.64Å; E321-R398 IonicContact OE1-NE 3.32Å; E321-R398 IonicContact OE1-NH2 3.81Å; E321-R398 PolarHBondContact OE1-NH2 3.46Å
322M98.5Very high96.4Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-67.9-39.6-179.2-179.1167.2153.800111.3V232 M290 F295 I297 Y308 E318 L320 F324 R325 I326V232-M322 HydrophobicContact CG1-CE 4Å; M290-M322 HydrophobicContact CE-CB 3.94Å; M290-M322 HydrophobicContact CE-CE 3.73Å; M290-M322 HydrophobicContact CE-CG 3.77Å; M290-M322 HydrophobicContact CE-SD 3.59Å; M290-M322 VanDerWaalsContact CE-SD 3.59Å; F295-M322 HydrophobicContact CD2-CE 3.98Å; F295-M322 HydrophobicContact CE2-CE 3.38Å; F295-M322 HydrophobicContact CE2-SD 4.39Å; F295-M322 HydrophobicContact CZ-CE 3.69Å; F295-M322 HydrophobicContact CZ-SD 4.12Å; I297-M322 HydrophobicContact CD1-CE 4.09Å; Y308-M322 HydrophobicContact CD1-SD 4.36Å; Y308-M322 HydrophobicContact CE1-CB 4.19Å; Y308-M322 HydrophobicContact CE1-SD 3.68Å; E318-M322 VanDerWaalsContact O-CB 3.32Å; E318-M322 WeakPolarHBondContact O-CB 3.2Å; E318-M322 PolarHBondContact O-N 2.8Å; L320-M322 VanDerWaalsContact C-N 3.32Å; L320-M322 PolarHBondContact O-N 3.33Å; M322-F324 PolarHBondContact O-N 2.92Å; M322-R325 PolarHBondContact O-N 3.48Å; M322-I326 HydrophobicContact CE-CD1 3.82Å; M322-I326 HydrophobicContact CG-CD1 3.66Å; M322-I326 HydrophobicContact CG-CG1 4.24Å; M322-I326 WeakPolarHBondContact O-CB 3.39Å; M322-I326 VanDerWaalsContact O-CD1 3.31Å; M322-I326 WeakPolarHBondContact O-CD1 3.24Å; M322-I326 WeakPolarHBondContact O-CG1 3.48Å; M322-I326 PolarHBondContact O-N 2.99Å
323S98.8Very high96.5Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-59.6-47.2175.9-59.70000111.8T289 M290 N319 L320 R325 I326 W327 L333T289-S323 WeakPolarHBondContact CA-OG 3.48Å; M290-S323 PolarHBondContact N-OG 3.16Å; M290-S323 VanDerWaalsContact N-OG 3.13Å; N319-S323 WeakPolarHBondContact O-CB 3.13Å; N319-S323 PolarHBondContact O-N 2.92Å; N319-S323 PolarHBondContact O-OG 2.89Å; L320-S323 PolarHBondContact O-N 3.07Å; S323-R325 PolarHBondContact O-N 2.8Å; S323-I326 PolarHBondContact O-N 3.08Å; S323-W327 PolarHBondContact O-N 2.89Å; S323-L333 WeakPolarHBondContact OG-CD2 3.34Å
324F98.7Very high96.9Very high0 Ų013.4 Ų13.40%08%0.078CC..Hα-helixtrans-62.3-45178.8-66.8-7.2000111.2F258 T289 L320 E321 M322 Q328 L368 W372 M373 F410 Y413F258-F324 AromaticContact CD1-CE1 3.99Å; F258-F324 HydrophobicContact CD1-CE1 3.99Å; F258-F324 HydrophobicContact CD1-CZ 4.16Å; F258-F324 HydrophobicContact CD2-CZ 4.32Å; F258-F324 AromaticContact CE1-CE1 3.54Å; F258-F324 HydrophobicContact CE1-CE1 3.54Å; F258-F324 AromaticContact CE1-CZ 3.77Å; F258-F324 HydrophobicContact CE1-CZ 3.77Å; F258-F324 AromaticContact CE2-CZ 3.92Å; F258-F324 HydrophobicContact CE2-CZ 3.92Å; F258-F324 HydrophobicContact CG-CZ 4.44Å; F258-F324 AromaticContact CZ-CE1 3.86Å; F258-F324 HydrophobicContact CZ-CE1 3.86Å; F258-F324 AromaticContact CZ-CZ 3.66Å; F258-F324 HydrophobicContact CZ-CZ 3.66Å; T289-F324 HydrophobicContact CG2-CE1 4.14Å; L320-F324 HydrophobicContact CB-CE2 4.42Å; L320-F324 HydrophobicContact CB-CZ 4.25Å; L320-F324 WeakPolarHBondContact O-CB 3.31Å; L320-F324 WeakPolarHBondContact O-CD1 3.3Å; L320-F324 WeakPolarHBondContact O-CG 3.2Å; L320-F324 PolarHBondContact O-N 3.36Å; E321-F324 PolarHBondContact O-N 2.78Å; M322-F324 PolarHBondContact O-N 2.92Å; F324-Q328 WeakPolarHBondContact O-CB 3.48Å; F324-Q328 VanDerWaalsContact O-CG 3.26Å; F324-Q328 WeakPolarHBondContact O-CG 3.39Å; F324-Q328 PolarHBondContact O-N 3.4Å; F324-Q328 PolarHBondContact O-NE2 3.02Å; F324-L368 HydrophobicContact CD2-CD1 4.15Å; F324-L368 HydrophobicContact CE2-CD1 3.74Å; F324-W372 HydrophobicContact CB-CB 4.09Å; F324-W372 HydrophobicContact CB-CG 4.35Å; F324-W372 HydrophobicContact CD2-CB 4.05Å; F324-M373 HydrophobicContact CE2-CG 4.16Å; F324-M373 HydrophobicContact CE2-SD 4.42Å; F324-F410 HydrophobicContact CD1-CE2 4.11Å; F324-F410 AromaticContact CD2-CE2 3.89Å; F324-F410 HydrophobicContact CD2-CE2 3.89Å; F324-F410 HydrophobicContact CE1-CE2 4.09Å; F324-F410 HydrophobicContact CE1-CZ 4.45Å; F324-F410 AromaticContact CE2-CE2 3.85Å; F324-F410 HydrophobicContact CE2-CE2 3.85Å; F324-F410 HydrophobicContact CE2-CZ 4.18Å; F324-F410 HydrophobicContact CG-CE2 4.03Å; F324-F410 AromaticContact CZ-CE2 3.96Å; F324-F410 HydrophobicContact CZ-CE2 3.96Å; F324-F410 HydrophobicContact CZ-CZ 4.08Å; F324-Y413 HydrophobicContact CD1-CE1 4.06Å; F324-Y413 HydrophobicContact CD1-CE2 4.26Å; F324-Y413 AromaticContact CD1-CZ 3.79Å; F324-Y413 AromaticContact CE1-CE1 3.99Å; F324-Y413 HydrophobicContact CE1-CE1 3.99Å; F324-Y413 AromaticContact CE1-CZ 3.95Å
325R98.6Very high97.4Very high0 Ų013 Ų130%08%0.076CC..Hα-helixtrans-62.7-48.8177.7174.3163.142.1109.69112.5I305 S307 E321 M322 S323 W327 Q328 C329 W372 R398I305-R325 VanDerWaalsContact O-CD 3.28Å; I305-R325 WeakPolarHBondContact O-CD 3.49Å; I305-R325 PolarHBondContact O-NH1 3.15Å; S307-R325 PolarHBondContact O-NH1 3.37Å; S307-R325 PolarHBondContact O-NH2 3.44Å; E321-R325 WeakPolarHBondContact O-CB 3.41Å; E321-R325 PolarHBondContact O-N 3.48Å; E321-R325 IonicContact OE1-CZ 3.77Å; E321-R325 IonicContact OE1-NE 2.7Å; E321-R325 PolarHBondContact OE1-NE 3.17Å; E321-R325 IonicContact OE1-NH2 3.16Å; E321-R325 IonicContact OE2-CZ 3.74Å; E321-R325 IonicContact OE2-NE 2.89Å; E321-R325 PolarHBondContact OE2-NE 3.29Å; E321-R325 IonicContact OE2-NH2 2.76Å; E321-R325 PolarHBondContact OE2-NH2 2.61Å; M322-R325 PolarHBondContact O-N 3.48Å; S323-R325 PolarHBondContact O-N 2.8Å; R325-W327 VanDerWaalsContact C-N 3.32Å; R325-W327 PolarHBondContact O-N 3.47Å; R325-Q328 PolarHBondContact O-N 3.4Å; R325-C329 WeakPolarHBondContact O-CB 3.28Å; R325-C329 PolarHBondContact O-N 3.37Å; R325-C329 PolarHBondContact O-SG 3.21Å; R325-W372 HydrophobicContact CB-CD2 4.31Å; R325-W372 HydrophobicContact CB-CE3 4.29Å; R325-W372 HydrophobicContact CB-CH2 3.64Å; R325-W372 HydrophobicContact CB-CZ2 3.64Å; R325-W372 HydrophobicContact CB-CZ3 3.95Å; R325-W372 VanDerWaalsContact CD-CZ2 3.43Å; R325-W372 HydrophobicContact CG-CH2 3.47Å; R325-W372 VanDerWaalsContact CG-CH2 3.47Å; R325-W372 HydrophobicContact CG-CZ2 3.7Å; R325-W372 HydrophobicContact CG-CZ3 4.11Å; R325-R398 VanDerWaalsContact NE-NH2 3.1Å
326I98.8Very high97.8Very high0 Ų07.6 Ų7.60%06%0.056CC..Hα-helixtrans-53.9-51.9179.7-71.3158.3000110.2V232 I305 M322 S323 G330 G331 S332 L333V232-I326 HydrophobicContact CB-CD1 3.82Å; V232-I326 HydrophobicContact CG1-CD1 3.96Å; V232-I326 HydrophobicContact CG2-CD1 3.52Å; V232-I326 HydrophobicContact CG2-CG1 3.87Å; V232-I326 HydrophobicContact CG2-CG2 4.1Å; I305-I326 HydrophobicContact CD1-CG1 4.03Å; M322-I326 HydrophobicContact CE-CD1 3.82Å; M322-I326 HydrophobicContact CG-CD1 3.66Å; M322-I326 HydrophobicContact CG-CG1 4.24Å; M322-I326 WeakPolarHBondContact O-CB 3.39Å; M322-I326 VanDerWaalsContact O-CD1 3.31Å; M322-I326 WeakPolarHBondContact O-CD1 3.24Å; M322-I326 WeakPolarHBondContact O-CG1 3.48Å; M322-I326 PolarHBondContact O-N 2.99Å; S323-I326 PolarHBondContact O-N 3.08Å; I326-G330 PolarHBondContact O-N 3.35Å; I326-G331 WeakPolarHBondContact O-CA 3.45Å; I326-G331 PolarHBondContact O-N 3.42Å; I326-S332 WeakPolarHBondContact CG2-O 3.48Å; I326-L333 HydrophobicContact CD1-CD1 4.2Å; I326-L333 HydrophobicContact CG2-CB 4.41Å
327W98.8Very high98.1Very high17 Ų177.4 Ų7.46%0.0645%0.054CC..Hα-helixtrans-68.9-47.6-177.6-80.4118.7000113.1R286 T287 P288 S323 R325 C329 G330 L333 W412 Y413 I417R286-W327 HydrophobicContact CB-CH2 4.25Å; R286-W327 HydrophobicContact CB-CZ2 4.34Å; R286-W327 HydrophobicContact CG-CH2 4.29Å; T287-W327 PolarHBondContact O-NE1 2.78Å; P288-W327 PolarHBondContact O-NE1 3.08Å; S323-W327 PolarHBondContact O-N 2.89Å; R325-W327 VanDerWaalsContact C-N 3.32Å; R325-W327 PolarHBondContact O-N 3.47Å; W327-C329 VanDerWaalsContact C-N 3.26Å; W327-C329 PolarHBondContact O-N 3.15Å; W327-G330 PolarHBondContact O-N 3.45Å; W327-L333 HydrophobicContact CZ2-CB 4.16Å; W327-L333 WeakPolarHBondContact CZ2-O 3.41Å; W327-W412 WeakPolarHBondContact O-CZ3 3.24Å; W327-Y413 HydrophobicContact CB-CD2 3.72Å; W327-Y413 HydrophobicContact CB-CE2 3.9Å; W327-Y413 AromaticContact CD1-CE2 3.73Å; W327-Y413 HydrophobicContact CG-CD2 4.24Å; W327-Y413 AromaticContact CG-CE2 4Å; W327-Y413 HydrophobicContact CG-CE2 4Å; W327-I417 HydrophobicContact CB-CG1 4.16Å; W327-I417 HydrophobicContact CD2-CB 4.4Å; W327-I417 HydrophobicContact CD2-CD1 3.83Å; W327-I417 HydrophobicContact CD2-CG1 3.9Å; W327-I417 HydrophobicContact CD2-CG2 3.62Å; W327-I417 HydrophobicContact CE3-CD1 3.33Å; W327-I417 HydrophobicContact CE3-CG1 3.89Å; W327-I417 HydrophobicContact CE3-CG2 4.29Å; W327-I417 HydrophobicContact CG-CB 4.47Å; W327-I417 HydrophobicContact CG-CD1 4.5Å; W327-I417 HydrophobicContact CG-CG1 4.07Å; W327-I417 HydrophobicContact CG-CG2 3.74Å; W327-I417 HydrophobicContact CH2-CD1 4.3Å; W327-I417 HydrophobicContact CZ2-CG2 4.1Å; W327-I417 HydrophobicContact CZ3-CD1 3.61Å
328Q98.8Very high98.4Very high2 Ų27.1 Ų7.11%0.0095%0.051CC..Hα-helixtrans-65.9-31.4-178.3-73177.375.700111.7F324 R325 W372 C407 K408F324-Q328 WeakPolarHBondContact O-CB 3.48Å; F324-Q328 VanDerWaalsContact O-CG 3.26Å; F324-Q328 WeakPolarHBondContact O-CG 3.39Å; F324-Q328 PolarHBondContact O-N 3.4Å; F324-Q328 PolarHBondContact O-NE2 3.02Å; R325-Q328 PolarHBondContact O-N 3.4Å; Q328-W372 PolarHBondContact NE2-O 3.29Å; Q328-W372 VanDerWaalsContact NE2-O 3.16Å; Q328-W372 PolarHBondContact OE1-O 3.03Å; Q328-C407 HydrophobicContact CB-CB 4.09Å; Q328-C407 CarbonylContact O-C 3.36Å; Q328-C407 VanDerWaalsContact O-CA 3.27Å; Q328-C407 WeakPolarHBondContact O-CA 3.28Å; Q328-K408 WeakPolarHBondContact CB-O 3.34Å; Q328-K408 WeakPolarHBondContact CG-O 3.35Å; Q328-K408 PolarHBondContact O-N 3.27Å; Q328-K408 PolarHBondContact OE1-O 3.48Å
329C98.6Very high98.5Very high22 Ų226.9 Ų6.915%0.1495%0.05CC..THydrogen-bonded Turntrans-96.114.3-176.9-50.30000113.8R325 W327 L405 C407R325-C329 WeakPolarHBondContact O-CB 3.28Å; R325-C329 PolarHBondContact O-N 3.37Å; R325-C329 PolarHBondContact O-SG 3.21Å; W327-C329 VanDerWaalsContact C-N 3.26Å; W327-C329 PolarHBondContact O-N 3.15Å; C329-L405 HydrophobicContact CB-CB 4.37Å; C329-L405 HydrophobicContact CB-CD1 4.24Å; C329-C407 HydrophobicContact CB-CB 4.06Å; C329-C407 WeakPolarHBondContact CB-SG 3.48Å; C329-C407 WeakPolarHBondContact SG-CB 3.27Å; C329-C407 CovalentContact SG-SG 2.04Å; C329-C407 PolarHBondContact SG-SG 3.01Å
330G97.9Very high98.5Very high43 Ų436.6 Ų6.644%0.4435%0.048SC..THydrogen-bonded Turntrans91.916165.700000116.7I326 W327I326-G330 PolarHBondContact O-N 3.35Å; W327-G330 PolarHBondContact O-N 3.45Å
331G98.5Very high98.6Very high10 Ų106.5 Ų6.510%0.1035%0.048CC..  trans-94.3-170.9165.100000112.9R230 Y301 I326R230-G331 WeakPolarHBondContact O-CA 3.38Å; Y301-G331 VanDerWaalsContact OH-CA 3.26Å; Y301-G331 WeakPolarHBondContact OH-CA 3.07Å; Y301-G331 PolarHBondContact OH-N 2.78Å; I326-G331 WeakPolarHBondContact O-CA 3.45Å; I326-G331 PolarHBondContact O-N 3.42Å
332S98.6Very high98.6Very high10 Ų106.4 Ų6.47%0.075%0.047CC..EExtended strand (participates in β ladder)trans-129151.7172.167.70000111.5R230 A231 V232 I326 E334R230-S332 PolarHBondContact O-N 3.18Å; A231-S332 WeakPolarHBondContact CA-OG 3.11Å; V232-S332 PolarHBondContact N-O 3.4Å; I326-S332 WeakPolarHBondContact CG2-O 3.48Å; S332-E334 WeakPolarHBondContact CB-OE1 3.44Å; S332-E334 PolarHBondContact OG-OE1 2.95Å
333L98.8Very high98.6Very high0 Ų07.5 Ų7.50%05%0.052CC..EExtended strand (participates in β ladder)trans-120122.7172.3-173.566.7000109.2V232 T287 M290 S323 I326 W327V232-L333 HydrophobicContact CB-CD1 3.83Å; V232-L333 HydrophobicContact CG1-CD1 3.77Å; V232-L333 WeakPolarHBondContact O-CA 3.28Å; T287-L333 HydrophobicContact CG2-CB 4.33Å; T287-L333 HydrophobicContact CG2-CD2 3.97Å; T287-L333 HydrophobicContact CG2-CG 3.67Å; T287-L333 PolarHBondContact N-O 3.44Å; M290-L333 HydrophobicContact CB-CD1 4.22Å; M290-L333 HydrophobicContact CB-CD2 3.96Å; M290-L333 HydrophobicContact CB-CG 4.48Å; M290-L333 HydrophobicContact CG-CD1 4.29Å; M290-L333 HydrophobicContact CG-CD2 4.1Å; M290-L333 HydrophobicContact SD-CD1 4.11Å; S323-L333 WeakPolarHBondContact OG-CD2 3.34Å; I326-L333 HydrophobicContact CD1-CD1 4.2Å; I326-L333 HydrophobicContact CG2-CB 4.41Å; W327-L333 HydrophobicContact CZ2-CB 4.16Å; W327-L333 WeakPolarHBondContact CZ2-O 3.41Å
334E98.7Very high98.5Very high6 Ų67.6 Ų7.63%0.0285%0.053CC..EExtended strand (participates in β ladder)trans-137.6138.1-166-58.3179.3-165.200111.9R224 V232 V233 C234 P284 V285 R286 S332 I336R224-E334 IonicContact CZ-OE1 3.94Å; R224-E334 IonicContact CZ-OE2 3.96Å; R224-E334 IonicContact NE-OE1 3.62Å; R224-E334 IonicContact NE-OE2 2.85Å; R224-E334 PolarHBondContact NE-OE2 3.44Å; R224-E334 IonicContact NH2-OE1 3.6Å; R224-E334 PolarHBondContact NH2-OE1 2.79Å; R224-E334 IonicContact NH2-OE2 3.82Å; V232-E334 PolarHBondContact O-N 3.4Å; V233-E334 CarbonylContact C-O 3.52Å; V233-E334 WeakPolarHBondContact CA-O 3.22Å; V233-E334 HydrophobicContact CG1-CB 4.49Å; C234-E334 PolarHBondContact N-O 3.14Å; P284-E334 HydrophobicContact CB-CB 4.2Å; P284-E334 WeakPolarHBondContact CB-OE2 3.19Å; V285-E334 CarbonylContact O-C 3.48Å; V285-E334 VanDerWaalsContact O-CA 3.28Å; V285-E334 WeakPolarHBondContact O-CA 3.26Å; R286-E334 HydrophobicContact CG-CG 4.47Å; S332-E334 WeakPolarHBondContact CB-OE1 3.44Å; S332-E334 PolarHBondContact OG-OE1 2.95Å; E334-I336 HydrophobicContact CB-CD1 4.3Å
335I98.7Very high98.1Very high10 Ų1011.3 Ų11.35%0.0517%0.069CC..EExtended strand (participates in β ladder)trans-94.7119.6169-58.8168.2000107.8C234 I236 W266 P284 V285 T287 T337C234-I335 HydrophobicContact CB-CG1 4.42Å; C234-I335 CarbonylContact O-C 3.52Å; C234-I335 WeakPolarHBondContact O-CA 3.14Å; I236-I335 HydrophobicContact CG1-CG2 3.81Å; W266-I335 HydrophobicContact CZ3-CD1 4.07Å; P284-I335 CarbonylContact C-O 3.51Å; P284-I335 VanDerWaalsContact CA-O 3.3Å; P284-I335 WeakPolarHBondContact CA-O 3.4Å; V285-I335 HydrophobicContact CB-CB 4.28Å; V285-I335 PolarHBondContact N-O 3.45Å; V285-I335 PolarHBondContact O-N 3.29Å; T287-I335 HydrophobicContact CG2-CD1 4.22Å; T287-I335 HydrophobicContact CG2-CG1 3.86Å; I335-T337 PolarHBondContact O-N 2.93Å
336I98.6Very high97.6Very high7 Ų713.6 Ų13.64%0.0368%0.078CC..EExtended strand (participates in β ladder)trans-88.1104.5-179.7-49.7-54.7000108.9P220 L221 R224 V233 C234 P284 E334 C338 S339P220-I336 HydrophobicContact CB-CG2 3.53Å; L221-I336 HydrophobicContact CD2-CB 3.88Å; L221-I336 HydrophobicContact CD2-CG1 3.69Å; R224-I336 HydrophobicContact CB-CD1 3.92Å; R224-I336 HydrophobicContact CG-CD1 3.81Å; V233-I336 HydrophobicContact CB-CD1 4.02Å; V233-I336 HydrophobicContact CB-CG1 3.74Å; V233-I336 HydrophobicContact CG1-CD1 3.86Å; V233-I336 HydrophobicContact CG1-CG1 4.15Å; C234-I336 PolarHBondContact O-N 2.74Å; P284-I336 HydrophobicContact CB-CD1 3.77Å; P284-I336 HydrophobicContact CG-CD1 3.66Å; E334-I336 HydrophobicContact CB-CD1 4.3Å; I336-C338 PolarHBondContact O-N 3.23Å; I336-C338 VanDerWaalsContact O-N 3.12Å; I336-S339 PolarHBondContact O-N 3.32Å
337T97.8Very high96.8Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-67.8-14.6-170.757.30000114.8I236 D252 R281 T282 L283 V285 I335 H340I236-T337 HydrophobicContact CD1-CG2 4.37Å; D252-T337 HydrophobicContact CB-CG2 4.03Å; R281-T337 VanDerWaalsContact O-CB 3.3Å; R281-T337 WeakPolarHBondContact O-CB 3.45Å; R281-T337 PolarHBondContact O-OG1 3.06Å; T282-T337 VanDerWaalsContact C-OG1 3.27Å; T282-T337 WeakPolarHBondContact CA-OG1 3.06Å; T282-T337 PolarHBondContact O-OG1 3.19Å; L283-T337 PolarHBondContact O-OG1 3.25Å; V285-T337 HydrophobicContact CG2-CG2 3.91Å; I335-T337 PolarHBondContact O-N 2.93Å; T337-H340 PolarHBondContact O-NE2 3.25Å
338C98.3Very high95.9Very high1 Ų122.4 Ų22.41%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-89.4-7.1173.4-62.20000113.9R101 C105 P220 I336R101-C338 WeakPolarHBondContact CD-O 3.37Å; C105-C338 HydrophobicContact CB-CB 3.54Å; C105-C338 WeakPolarHBondContact CB-SG 3.44Å; C105-C338 WeakPolarHBondContact SG-CA 3.45Å; C105-C338 WeakPolarHBondContact SG-CB 3.32Å; C105-C338 CovalentContact SG-SG 2.04Å; C105-C338 PolarHBondContact SG-SG 2.9Å; P220-C338 HydrophobicContact CB-CB 4.13Å; P220-C338 HydrophobicContact CG-CB 4.03Å; I336-C338 PolarHBondContact O-N 3.23Å; I336-C338 VanDerWaalsContact O-N 3.12Å
339S98.6Very high94.9Very high0 Ų025.9 Ų25.90%015%0.147CC..EExtended strand (participates in β ladder)trans-106126.7178.9179.60000109.9W217 L221 P235 I236 I336W217-S339 VanDerWaalsContact O-CB 3.24Å; W217-S339 WeakPolarHBondContact O-CB 3.27Å; W217-S339 PolarHBondContact O-OG 3.26Å; L221-S339 WeakPolarHBondContact CG-OG 3.45Å; P235-S339 WeakPolarHBondContact CA-O 3.33Å; P235-S339 WeakPolarHBondContact CB-OG 3.29Å; I236-S339 PolarHBondContact N-O 3.37Å; I336-S339 PolarHBondContact O-N 3.32Å
340H98.6Very high93.9Very high7 Ų726.8 Ų26.83%0.03215%0.152CC..EExtended strand (participates in β ladder)trans-131.1128.4-175-83.2-98.4000110.5V100 T214 I236 D238 T337V100-H340 HydrophobicContact CG2-CB 4.11Å; T214-H340 HydrophobicContact CG2-CB 3.96Å; T214-H340 PolarHBondContact N-O 2.74Å; T214-H340 VanDerWaalsContact N-O 3.16Å; T214-H340 WeakPolarHBondContact OG1-CB 3.12Å; T214-H340 PolarHBondContact OG1-O 3.17Å; I236-H340 WeakPolarHBondContact O-CA 3.39Å; D238-H340 IonicContact OD1-CE1 2.69Å; D238-H340 IonicContact OD1-CG 3.51Å; D238-H340 IonicContact OD1-ND1 2.92Å; D238-H340 PolarHBondContact OD1-ND1 3.11Å; D238-H340 VanDerWaalsContact OD2-CB 3.27Å; D238-H340 WeakPolarHBondContact OD2-CB 3.47Å; D238-H340 IonicContact OD2-CG 2.85Å; D238-H340 IonicContact OD2-ND1 3.05Å; D238-H340 PolarHBondContact OD2-ND1 3.1Å; T337-H340 PolarHBondContact O-NE2 3.25Å
341V98.8Very high93Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-136121.2175.6-174.80000109.2L207 C211 W217 P235 I236 I237 D238 L294L207-V341 HydrophobicContact CD2-CG1 4.28Å; C211-V341 HydrophobicContact CB-CG1 3.97Å; W217-V341 HydrophobicContact CD2-CG2 4.16Å; W217-V341 HydrophobicContact CE3-CG2 3.44Å; W217-V341 VanDerWaalsContact CE3-CG2 3.44Å; W217-V341 HydrophobicContact CZ3-CG2 4.03Å; P235-V341 HydrophobicContact CB-CB 4.31Å; P235-V341 HydrophobicContact CB-CG2 3.82Å; P235-V341 HydrophobicContact CG-CB 4.1Å; P235-V341 HydrophobicContact CG-CG2 3.81Å; I236-V341 PolarHBondContact O-N 3.21Å; I237-V341 WeakPolarHBondContact CA-O 3.36Å; D238-V341 PolarHBondContact N-O 2.99Å; D238-V341 PolarHBondContact OD2-N 2.77Å; L294-V341 HydrophobicContact CD2-CB 3.6Å; L294-V341 HydrophobicContact CD2-CG1 3.33Å; L294-V341 HydrophobicContact CD2-CG2 4.35Å
342G98.4Very high92Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-71.5142.8172.900000111.9C211 E212 D238C211-G342 CarbonylContact C-O 3.52Å; C211-G342 WeakPolarHBondContact CA-O 3.4Å; C211-G342 WeakPolarHBondContact CB-O 3.39Å; E212-G342 PolarHBondContact N-O 3.23Å; E212-G342 PolarHBondContact O-N 2.94Å; D238-G342 CarbonylContact O-C 3.54Å; D238-G342 WeakPolarHBondContact O-CA 3.44Å
343H98.4Very high91Very high22 Ų2231.6 Ų31.610%0.10217%0.166CC..EExtended strand (participates in β ladder)trans-134.5135.5177.2172.4-86.8000110.2D208 H210 I237 D238 I240 F345D208-H343 IonicContact OD2-CD2 2.79Å; D208-H343 IonicContact OD2-NE2 2.92Å; H210-H343 AromaticContact CD2-CD2 3.91Å; H210-H343 AromaticContact CD2-NE2 3.51Å; H210-H343 AromaticContact NE2-NE2 3.36Å; H210-H343 PolarHBondContact NE2-NE2 3.02Å; I237-H343 HydrophobicContact CG2-CB 3.6Å; D238-H343 PolarHBondContact O-N 2.73Å; I240-H343 PolarHBondContact N-O 3.09Å; H343-F345 HydrophobicContact CB-CE2 4.09Å; H343-F345 HydrophobicContact CB-CZ 4.43Å; H343-F345 AromaticContact ND1-CD1 3.67Å; H343-F345 AromaticContact ND1-CD2 3.65Å; H343-F345 AromaticContact ND1-CE1 3.72Å; H343-F345 AromaticContact ND1-CE2 3.72Å; H343-F345 AromaticContact ND1-CG 3.65Å; H343-F345 AromaticContact ND1-CZ 3.76Å; H343-F345 VanDerWaalsContact O-CD2 3.28Å; H343-F345 WeakPolarHBondContact O-CD2 3.45Å; H343-F345 PolarHBondContact O-N 2.68Å
344V97.8Very high89.9Confident2 Ų235.8 Ų35.81%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-76.9101.2175.1-176.20000110F83 H210 I240 D242 F245 R346F83-V344 HydrophobicContact CB-CG1 3.91Å; F83-V344 HydrophobicContact CD1-CG1 4.2Å; F83-V344 HydrophobicContact CG-CG1 4.12Å; H210-V344 HydrophobicContact CB-CB 4.23Å; H210-V344 HydrophobicContact CB-CG2 4.18Å; H210-V344 PolarHBondContact O-N 3.36Å; H210-V344 VanDerWaalsContact O-N 3.13Å; I240-V344 HydrophobicContact CB-CG2 3.88Å; I240-V344 HydrophobicContact CD1-CG2 4.39Å; I240-V344 HydrophobicContact CG2-CG2 3.77Å; I240-V344 WeakPolarHBondContact O-CA 3.39Å; D242-V344 HydrophobicContact CB-CG1 4.28Å; F245-V344 HydrophobicContact CE1-CG2 3.97Å; F245-V344 HydrophobicContact CZ-CG2 4.25Å; V344-R346 PolarHBondContact O-N 2.81Å
345F89.8Confident88.6Confident79 Ų7938.2 Ų38.235%0.34622%0.22SC..  trans-80117.5179.2-74-85.4000111.6I237 V239 D242 H343I237-F345 HydrophobicContact CG2-CE2 3.93Å; I237-F345 HydrophobicContact CG2-CZ 3.65Å; V239-F345 HydrophobicContact CB-CD2 4.23Å; V239-F345 HydrophobicContact CB-CE2 4.46Å; V239-F345 HydrophobicContact CG1-CD2 4.01Å; V239-F345 HydrophobicContact CG2-CD2 3.98Å; V239-F345 HydrophobicContact CG2-CE2 3.93Å; D242-F345 WeakPolarHBondContact CB-O 3.27Å; H343-F345 HydrophobicContact CB-CE2 4.09Å; H343-F345 HydrophobicContact CB-CZ 4.43Å; H343-F345 AromaticContact ND1-CD1 3.67Å; H343-F345 AromaticContact ND1-CD2 3.65Å; H343-F345 AromaticContact ND1-CE1 3.72Å; H343-F345 AromaticContact ND1-CE2 3.72Å; H343-F345 AromaticContact ND1-CG 3.65Å; H343-F345 AromaticContact ND1-CZ 3.76Å; H343-F345 VanDerWaalsContact O-CD2 3.28Å; H343-F345 WeakPolarHBondContact O-CD2 3.45Å; H343-F345 PolarHBondContact O-N 2.68Å
346R88.2Confident87.9Confident48 Ų4839.3 Ų39.318%0.18123%0.233CC..  trans-92.5141.7179.7-55.9173.7-171.8170.6-2.1110.6N81 Q82 F83 E126 H210 V344 A348 Y351N81-R346 WeakPolarHBondContact O-CD 3.34Å; N81-R346 PolarHBondContact O-NE 3.38Å; Q82-R346 HydrophobicContact CB-CB 4.28Å; Q82-R346 HydrophobicContact CB-CG 4.45Å; F83-R346 HydrophobicContact CD1-CG 4.47Å; E126-R346 VanDerWaalsContact CD-NH2 3.31Å; E126-R346 IonicContact OE1-NH2 2.79Å; E126-R346 PolarHBondContact OE1-NH2 3.36Å; E126-R346 VanDerWaalsContact OE1-NH2 3.08Å; E126-R346 IonicContact OE2-CZ 3.54Å; E126-R346 IonicContact OE2-NH2 3.56Å; E126-R346 PolarHBondContact OE2-NH2 3.26Å; H210-R346 PolarHBondContact CE1-NH2 3.04Å; H210-R346 PolarHBondContact ND1-NH2 3.49Å; V344-R346 PolarHBondContact O-N 2.81Å; R346-A348 VanDerWaalsContact C-N 3.31Å; R346-A348 WeakPolarHBondContact CB-O 3.33Å; R346-Y351 PolarHBondContact NH1-OH 2.95Å
347K82.3Confident87.2Confident154 Ų15442 Ų4267%0.6725%0.25SC*.SBendtrans-72.9-24.3173-65.3173.6-170.3166.20113E243E243-K347 IonicContact OE1-NZ 3.81Å; E243-K347 PolarHBondContact OE1-NZ 3.37Å
348A79.4Confident86.7Confident47 Ų4744 Ų4439%0.38827%0.272SS..SBendtrans-143.3152.3178.300000111.1Q82 R346Q82-A348 WeakPolarHBondContact CB-O 3.27Å; Q82-A348 HydrophobicContact CG-CB 4.42Å; Q82-A348 WeakPolarHBondContact CG-O 3.47Å; R346-A348 VanDerWaalsContact C-N 3.31Å; R346-A348 WeakPolarHBondContact CB-O 3.33Å
349T78.7Confident86.2Confident76 Ų7649.2 Ų49.247%0.46630%0.296SS..  trans-78.3124.817652.40000110.3Y351 F353T349-Y351 PolarHBondContact O-N 3.21Å; T349-F353 HydrophobicContact CG2-CE2 4.46Å
350P77.8Confident85.8Confident40 Ų4049.6 Ų49.626%0.2630%0.298SS..  trans-77.51.6179.329.2-32.9000114.1Q82Q82-P350 HydrophobicContact CG-CB 3.89Å
351Y79.2Confident85.5Confident60 Ų6051 Ų5124%0.23531%0.305CS..SBendtrans-106.4149.6-167.6-48.3-57.6000112.7H124 R346 T349 F353H124-Y351 AromaticContact CD2-CD1 3.63Å; H124-Y351 WeakPolarHBondContact O-CE1 3.49Å; H124-Y351 PolarHBondContact O-OH 2.76Å; R346-Y351 PolarHBondContact NH1-OH 2.95Å; T349-Y351 PolarHBondContact O-N 3.21Å; Y351-F353 WeakPolarHBondContact O-CD2 3.36Å
352S76.4Confident85.3Confident79 Ų7953 Ų5355%0.55232%0.316SS*.  trans-74.3142.6171.159.10000111.1R185R185-S352 PolarHBondContact NH1-O 3.09Å; R185-S352 PolarHBondContact NH1-OG 3.49Å; R185-S352 PolarHBondContact NH2-O 3.17Å
353F78.5Confident85.1Confident25 Ų2555.3 Ų55.311%0.1133%0.326CS..  trans-113104.2171-72.7-99.7000108I314 W315 T349 Y351 G355 G356 T357 V360I314-F353 HydrophobicContact CB-CD1 4.35Å; I314-F353 HydrophobicContact CB-CE1 4.46Å; I314-F353 HydrophobicContact CG2-CD1 3.92Å; I314-F353 HydrophobicContact CG2-CE1 3.82Å; W315-F353 HydrophobicContact CB-CE1 4.21Å; T349-F353 HydrophobicContact CG2-CE2 4.46Å; Y351-F353 WeakPolarHBondContact O-CD2 3.36Å; F353-G355 PolarHBondContact O-N 3.46Å; F353-G356 WeakPolarHBondContact O-CA 3.22Å; F353-G356 PolarHBondContact O-N 2.87Å; F353-T357 VanDerWaalsContact CD2-OG1 3.32Å; F353-T357 WeakPolarHBondContact CD2-OG1 3.29Å; F353-T357 HydrophobicContact CE1-CG2 4.43Å; F353-T357 HydrophobicContact CE2-CG2 4.48Å; F353-T357 HydrophobicContact CZ-CG2 4.41Å; F353-V360 HydrophobicContact CD1-CB 4.21Å; F353-V360 HydrophobicContact CD1-CG1 4.21Å; F353-V360 HydrophobicContact CD1-CG2 4.31Å
354P74.8Confident85Confident88 Ų8854.3 Ų54.357%0.57132%0.321SS*.THydrogen-bonded Turntrans-55.5125.2172.9-2434.4000110.2G356P354-G356 VanDerWaalsContact C-N 3.28Å; P354-G356 PolarHBondContact O-N 2.97Å
355G72.6Confident84.9Confident58 Ų5854.5 Ų54.560%0.59832%0.322SS*.THydrogen-bonded Turntrans82.6-5.5-173.600000115.4F353 Q359F353-G355 PolarHBondContact O-N 3.46Å; G355-Q359 WeakPolarHBondContact O-CB 3.38Å; G355-Q359 PolarHBondContact O-OE1 3.49Å
356G84.1Confident85.2Confident32 Ų3252.3 Ų52.333%0.3331%0.312SS..  trans89.6148.8178.400000113.7F353 P354 G358 Q359 V360F353-G356 WeakPolarHBondContact O-CA 3.22Å; F353-G356 PolarHBondContact O-N 2.87Å; P354-G356 VanDerWaalsContact C-N 3.28Å; P354-G356 PolarHBondContact O-N 2.97Å; G356-G358 VanDerWaalsContact C-N 3.29Å; G356-G358 PolarHBondContact O-N 2.85Å; G356-Q359 PolarHBondContact O-N 3.32Å; G356-Q359 VanDerWaalsContact O-N 3.15Å; G356-V360 PolarHBondContact O-N 3.31Å
357T83.5Confident85.7Confident63 Ų6350.5 Ų50.539%0.38731%0.305SS..Hα-helixtrans-55.9-41.1-174.4-52.40000112.7F353 Q359 V360 I361F353-T357 VanDerWaalsContact CD2-OG1 3.32Å; F353-T357 WeakPolarHBondContact CD2-OG1 3.29Å; F353-T357 HydrophobicContact CE1-CG2 4.43Å; F353-T357 HydrophobicContact CE2-CG2 4.48Å; F353-T357 HydrophobicContact CZ-CG2 4.41Å; T357-Q359 PolarHBondContact O-N 3.04Å; T357-V360 PolarHBondContact O-N 3.48Å; T357-I361 HydrophobicContact CG2-CD1 3.5Å; T357-I361 VanDerWaalsContact CG2-CD1 3.5Å; T357-I361 HydrophobicContact CG2-CG1 4.21Å; T357-I361 WeakPolarHBondContact O-CB 3.43Å; T357-I361 WeakPolarHBondContact O-CG1 3.41Å; T357-I361 PolarHBondContact O-N 2.78Å
358G85.6Confident86.4Confident44 Ų4443.2 Ų43.245%0.45427%0.273SS..Hα-helixtrans-62.7-41.8179.400000113.1G356 N362G356-G358 VanDerWaalsContact C-N 3.29Å; G356-G358 PolarHBondContact O-N 2.85Å; G358-N362 WeakPolarHBondContact O-CB 3.39Å; G358-N362 PolarHBondContact O-N 2.85Å; G358-N362 PolarHBondContact O-ND2 2.99Å
359Q88.6Confident87.3Confident110 Ų11041 Ų4151%0.51426%0.255SS..Hα-helixtrans-65.6-47.4179.3-175.4178.80.800111.1G355 G356 T357 K363 V390G355-Q359 WeakPolarHBondContact O-CB 3.38Å; G355-Q359 PolarHBondContact O-OE1 3.49Å; G356-Q359 PolarHBondContact O-N 3.32Å; G356-Q359 VanDerWaalsContact O-N 3.15Å; T357-Q359 PolarHBondContact O-N 3.04Å; Q359-K363 VanDerWaalsContact O-CB 3.29Å; Q359-K363 WeakPolarHBondContact O-CB 3.25Å; Q359-K363 PolarHBondContact O-N 2.96Å; Q359-V390 HydrophobicContact CG-CG1 4.19Å
360V91.1Very high88.2Confident8 Ų838.6 Ų38.65%0.04824%0.238CC..Hα-helixtrans-62.6-52.5-179.1172.60000111.5D313 I314 F353 G356 T357 N362 K363 N364D313-V360 HydrophobicContact CB-CG1 4.18Å; D313-V360 WeakPolarHBondContact O-CG1 3.29Å; I314-V360 HydrophobicContact CB-CG1 4.07Å; F353-V360 HydrophobicContact CD1-CB 4.21Å; F353-V360 HydrophobicContact CD1-CG1 4.21Å; F353-V360 HydrophobicContact CD1-CG2 4.31Å; G356-V360 PolarHBondContact O-N 3.31Å; T357-V360 PolarHBondContact O-N 3.48Å; V360-N362 PolarHBondContact O-N 3.48Å; V360-K363 PolarHBondContact O-N 3.17Å; V360-N364 PolarHBondContact O-N 3.42Å; V360-N364 PolarHBondContact O-OD1 3.25Å
361I91.5Very high89.1Confident37 Ų3736.8 Ų36.819%0.1923%0.227CC..Hα-helixtrans-65.3-42.8-177.7-65.5178.4000110.6W315 T357 K363 N364 N365W315-I361 HydrophobicContact CE3-CD1 4.2Å; W315-I361 HydrophobicContact CE3-CG1 4.49Å; W315-I361 HydrophobicContact CZ3-CD1 3.89Å; T357-I361 HydrophobicContact CG2-CD1 3.5Å; T357-I361 VanDerWaalsContact CG2-CD1 3.5Å; T357-I361 HydrophobicContact CG2-CG1 4.21Å; T357-I361 WeakPolarHBondContact O-CB 3.43Å; T357-I361 WeakPolarHBondContact O-CG1 3.41Å; T357-I361 PolarHBondContact O-N 2.78Å; I361-K363 VanDerWaalsContact C-N 3.34Å; I361-K363 PolarHBondContact O-N 2.99Å; I361-N364 PolarHBondContact O-N 3.45Å; I361-N365 VanDerWaalsContact O-CB 3.3Å; I361-N365 WeakPolarHBondContact O-CB 3.49Å; I361-N365 PolarHBondContact O-N 2.92Å
362N93.9Very high90.1Very high41 Ų4134 Ų3422%0.21922%0.216CC..Hα-helixtrans-64.7-38.9178.3-73-14000112G358 V360 R366 V387 V390G358-N362 WeakPolarHBondContact O-CB 3.39Å; G358-N362 PolarHBondContact O-N 2.85Å; G358-N362 PolarHBondContact O-ND2 2.99Å; V360-N362 PolarHBondContact O-N 3.48Å; N362-R366 VanDerWaalsContact O-CB 3.27Å; N362-R366 WeakPolarHBondContact O-CB 3.17Å; N362-R366 PolarHBondContact O-N 2.9Å; N362-V387 HydrophobicContact CB-CG2 4.14Å; N362-V390 HydrophobicContact CB-CB 4.39Å; N362-V390 HydrophobicContact CB-CG2 3.9Å
363K95.3Very high91Very high49 Ų4930.4 Ų30.421%0.21319%0.19CC..Hα-helixtrans-57.5-54.3172.8166.7166.3179.2-168.90110.5D313 Q359 V360 I361 N365 R366 R367 V390D313-K363 WeakPolarHBondContact OD2-CD 3.27Å; D313-K363 VanDerWaalsContact OD2-CE 3.29Å; D313-K363 WeakPolarHBondContact OD2-CE 3.07Å; D313-K363 IonicContact OD2-NZ 3.22Å; D313-K363 PolarHBondContact OD2-NZ 2.95Å; Q359-K363 VanDerWaalsContact O-CB 3.29Å; Q359-K363 WeakPolarHBondContact O-CB 3.25Å; Q359-K363 PolarHBondContact O-N 2.96Å; V360-K363 PolarHBondContact O-N 3.17Å; I361-K363 VanDerWaalsContact C-N 3.34Å; I361-K363 PolarHBondContact O-N 2.99Å; K363-N365 PolarHBondContact O-N 3.45Å; K363-R366 PolarHBondContact O-N 3.11Å; K363-R366 VanDerWaalsContact O-N 3.17Å; K363-R367 WeakPolarHBondContact O-CG 3.49Å; K363-R367 PolarHBondContact O-N 3.05Å; K363-V390 HydrophobicContact CB-CG1 3.79Å
364N96.4Very high91.8Very high0 Ų031.2 Ų31.20%020%0.195CC..Hα-helixtrans-62.6-44.5-177.7-63.4-9000111.8M312 D313 G316 V360 I361 R366 R367 L368M312-N364 VanDerWaalsContact CA-OD1 3.28Å; M312-N364 WeakPolarHBondContact CA-OD1 3.17Å; M312-N364 HydrophobicContact CB-CB 4.45Å; M312-N364 HydrophobicContact CE-CB 4.42Å; M312-N364 HydrophobicContact CG-CB 4.14Å; M312-N364 HydrophobicContact SD-CB 4.36Å; D313-N364 PolarHBondContact N-OD1 2.88Å; D313-N364 PolarHBondContact O-ND2 2.97Å; G316-N364 WeakPolarHBondContact O-CB 3.29Å; G316-N364 PolarHBondContact O-ND2 3.43Å; V360-N364 PolarHBondContact O-N 3.42Å; V360-N364 PolarHBondContact O-OD1 3.25Å; I361-N364 PolarHBondContact O-N 3.45Å; N364-R366 VanDerWaalsContact C-N 3.28Å; N364-R366 PolarHBondContact O-N 3.43Å; N364-R367 WeakPolarHBondContact O-CB 3.44Å; N364-R367 PolarHBondContact O-N 2.72Å; N364-L368 PolarHBondContact O-N 3.25Å
365N96Very high92.4Very high6 Ų631.3 Ų31.33%0.03219%0.188CC..Hα-helixtrans-64.3-31.7176.4-75.9-7.2000112.6L262 G317 I361 K363 L368 A369 F380L262-N365 HydrophobicContact CD1-CB 4.24Å; G317-N365 WeakPolarHBondContact CA-OD1 3.39Å; I361-N365 VanDerWaalsContact O-CB 3.3Å; I361-N365 WeakPolarHBondContact O-CB 3.49Å; I361-N365 PolarHBondContact O-N 2.92Å; K363-N365 PolarHBondContact O-N 3.45Å; N365-L368 HydrophobicContact CB-CD2 4.48Å; N365-L368 WeakPolarHBondContact O-CG 3.35Å; N365-A369 VanDerWaalsContact O-CB 3.25Å; N365-A369 WeakPolarHBondContact O-CB 3.23Å; N365-A369 PolarHBondContact O-N 3.42Å; N365-A369 VanDerWaalsContact O-N 3.08Å; N365-F380 HydrophobicContact CB-CE1 4.01Å; N365-F380 HydrophobicContact CB-CZ 3.73Å
366R96.1Very high93.2Very high33 Ų3329.5 Ų29.513%0.12516%0.164CC..Hα-helixtrans-70.5-43.1173.1-167.5166.2-180-179.96111.4N362 K363 N364 L368 A369 E370 Y381 V387 M388 V390 Y392N362-R366 VanDerWaalsContact O-CB 3.27Å; N362-R366 WeakPolarHBondContact O-CB 3.17Å; N362-R366 PolarHBondContact O-N 2.9Å; K363-R366 PolarHBondContact O-N 3.11Å; K363-R366 VanDerWaalsContact O-N 3.17Å; N364-R366 VanDerWaalsContact C-N 3.28Å; N364-R366 PolarHBondContact O-N 3.43Å; R366-L368 PolarHBondContact O-N 2.81Å; R366-A369 PolarHBondContact O-N 3.34Å; R366-E370 HydrophobicContact CG-CG 4.18Å; R366-E370 WeakPolarHBondContact O-CB 3.31Å; R366-E370 VanDerWaalsContact O-CG 3.22Å; R366-E370 WeakPolarHBondContact O-CG 3.34Å; R366-E370 PolarHBondContact O-N 2.77Å; R366-Y381 HydrophobicContact CG-CE1 4.27Å; R366-V387 HydrophobicContact CB-CG1 3.71Å; R366-V387 HydrophobicContact CG-CG1 4.12Å; R366-M388 VanDerWaalsContact NH1-C 3.34Å; R366-M388 PolarHBondContact NH1-O 3.18Å; R366-V390 PolarHBondContact NH1-O 3.5Å; R366-Y392 HydrophobicContact CB-CG 4.28Å; R366-Y392 HydrophobicContact CG-CD1 3.66Å; R366-Y392 HydrophobicContact CG-CE1 4.27Å; R366-Y392 HydrophobicContact CG-CG 3.8Å
367R97.9Very high93.5Very high11 Ų1130.2 Ų30.24%0.04216%0.158CC..Hα-helixtrans-56.8-47.6175.4-66.3-179.467.176.92.2111.7D309 G311 K363 N364 V371 Y392 D394 V395D309-R367 IonicContact OD1-CZ 3.85Å; D309-R367 IonicContact OD1-NE 3.77Å; D309-R367 IonicContact OD1-NH2 2.69Å; D309-R367 PolarHBondContact OD1-NH2 3.37Å; D309-R367 IonicContact OD2-CZ 3.76Å; D309-R367 VanDerWaalsContact OD2-CZ 3.3Å; D309-R367 IonicContact OD2-NE 3.24Å; D309-R367 PolarHBondContact OD2-NE 3.04Å; D309-R367 IonicContact OD2-NH2 3.46Å; D309-R367 PolarHBondContact OD2-NH2 3.12Å; G311-R367 WeakPolarHBondContact O-CD 3.3Å; K363-R367 WeakPolarHBondContact O-CG 3.49Å; K363-R367 PolarHBondContact O-N 3.05Å; N364-R367 WeakPolarHBondContact O-CB 3.44Å; N364-R367 PolarHBondContact O-N 2.72Å; R367-V371 VanDerWaalsContact O-CG2 3.3Å; R367-V371 WeakPolarHBondContact O-CG2 3.35Å; R367-V371 PolarHBondContact O-N 3.18Å; R367-Y392 WeakPolarHBondContact CD-O 3.44Å; R367-Y392 HydrophobicContact CG-CD2 4.18Å; R367-Y392 VanDerWaalsContact CG-O 3.29Å; R367-Y392 WeakPolarHBondContact CG-O 3.34Å; R367-Y392 PolarHBondContact NH1-O 3.34Å; R367-D394 PolarHBondContact NH1-O 3.04Å; R367-D394 PolarHBondContact NH2-O 3.19Å; R367-V395 HydrophobicContact CB-CG1 4.16Å; R367-V395 HydrophobicContact CG-CG1 4.11Å
368L97.5Very high93.5Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-66.1-40.3179.382.280.9000111.8L262 M312 G317 L320 E321 F324 N364 N365 R366 V371 W372 M373L262-L368 HydrophobicContact CD1-CD1 3.76Å; L262-L368 HydrophobicContact CD1-CG 4.35Å; M312-L368 HydrophobicContact CE-CB 3.89Å; G317-L368 WeakPolarHBondContact O-CD2 3.19Å; L320-L368 HydrophobicContact CB-CD2 4.23Å; E321-L368 HydrophobicContact CB-CB 3.85Å; E321-L368 HydrophobicContact CG-CB 4.08Å; F324-L368 HydrophobicContact CD2-CD1 4.15Å; F324-L368 HydrophobicContact CE2-CD1 3.74Å; N364-L368 PolarHBondContact O-N 3.25Å; N365-L368 HydrophobicContact CB-CD2 4.48Å; N365-L368 WeakPolarHBondContact O-CG 3.35Å; R366-L368 PolarHBondContact O-N 2.81Å; L368-V371 PolarHBondContact O-N 3.27Å; L368-W372 WeakPolarHBondContact O-CB 3.35Å; L368-W372 PolarHBondContact O-N 3.2Å; L368-M373 HydrophobicContact CD1-CG 4.48Å; L368-M373 HydrophobicContact CD1-SD 3.96Å
369A96.9Very high93.3Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-66.5-42.7-179.500000111.9N365 R366 V371 M373 K377 F380 Y381N365-A369 VanDerWaalsContact O-CB 3.25Å; N365-A369 WeakPolarHBondContact O-CB 3.23Å; N365-A369 PolarHBondContact O-N 3.42Å; N365-A369 VanDerWaalsContact O-N 3.08Å; R366-A369 PolarHBondContact O-N 3.34Å; A369-V371 PolarHBondContact O-N 2.86Å; A369-M373 HydrophobicContact CB-CG 4.43Å; A369-M373 HydrophobicContact CB-SD 3.67Å; A369-M373 WeakPolarHBondContact O-CB 3.37Å; A369-M373 PolarHBondContact O-N 3.32Å; A369-K377 HydrophobicContact CB-CB 3.96Å; A369-F380 HydrophobicContact CB-CD1 4.08Å; A369-F380 HydrophobicContact CB-CE1 4.47Å; A369-Y381 HydrophobicContact CB-CE1 4.46Å
370E97.6Very high93.3Very high26 Ų2625 Ų2512%0.12112%0.12CC..Hα-helixtrans-65.5-23.8179.6-71.8-72-174.200113.8R366 K377 Y381 Y392 V395 K399R366-E370 HydrophobicContact CG-CG 4.18Å; R366-E370 WeakPolarHBondContact O-CB 3.31Å; R366-E370 VanDerWaalsContact O-CG 3.22Å; R366-E370 WeakPolarHBondContact O-CG 3.34Å; R366-E370 PolarHBondContact O-N 2.77Å; E370-K377 IonicContact OE2-NZ 3.32Å; E370-K377 PolarHBondContact OE2-NZ 3.28Å; E370-Y381 VanDerWaalsContact CD-OH 3.3Å; E370-Y381 WeakPolarHBondContact CG-OH 3.45Å; E370-Y381 PolarHBondContact OE1-OH 3.09Å; E370-Y381 VanDerWaalsContact OE1-OH 3.09Å; E370-Y392 HydrophobicContact CB-CE2 4.15Å; E370-Y392 HydrophobicContact CG-CD2 4.36Å; E370-Y392 HydrophobicContact CG-CE1 4.26Å; E370-Y392 HydrophobicContact CG-CE2 3.8Å; E370-V395 HydrophobicContact CB-CG2 4.48Å; E370-K399 WeakPolarHBondContact O-CE 3.36Å
371V98.5Very high93.1Very high3 Ų325.5 Ų25.52%0.01812%0.121CC..Hα-helixtrans-98.3-40.1-178.8-179.40000112R367 L368 A369 V395 R398 K399 R402R367-V371 VanDerWaalsContact O-CG2 3.3Å; R367-V371 WeakPolarHBondContact O-CG2 3.35Å; R367-V371 PolarHBondContact O-N 3.18Å; L368-V371 PolarHBondContact O-N 3.27Å; A369-V371 PolarHBondContact O-N 2.86Å; V371-V395 HydrophobicContact CG2-CB 3.72Å; V371-V395 HydrophobicContact CG2-CG1 4.16Å; V371-V395 HydrophobicContact CG2-CG2 4.12Å; V371-R398 HydrophobicContact CB-CB 4.49Å; V371-R398 HydrophobicContact CG1-CB 3.91Å; V371-R398 HydrophobicContact CG2-CB 3.76Å; V371-K399 HydrophobicContact CG2-CG 4.26Å; V371-R402 WeakPolarHBondContact O-CD 3.44Å; V371-R402 PolarHBondContact O-NH1 3.45Å
372W98.4Very high92.8Very high1 Ų126.9 Ų26.90%0.00413%0.128CC..Hα-helixtrans-118.5-8.9-161.8-62.5107.2000115.8E321 F324 R325 Q328 L368 R402 C407 F410E321-W372 PolarHBondContact OE1-NE1 2.96Å; F324-W372 HydrophobicContact CB-CB 4.09Å; F324-W372 HydrophobicContact CB-CG 4.35Å; F324-W372 HydrophobicContact CD2-CB 4.05Å; R325-W372 HydrophobicContact CB-CD2 4.31Å; R325-W372 HydrophobicContact CB-CE3 4.29Å; R325-W372 HydrophobicContact CB-CH2 3.64Å; R325-W372 HydrophobicContact CB-CZ2 3.64Å; R325-W372 HydrophobicContact CB-CZ3 3.95Å; R325-W372 VanDerWaalsContact CD-CZ2 3.43Å; R325-W372 HydrophobicContact CG-CH2 3.47Å; R325-W372 VanDerWaalsContact CG-CH2 3.47Å; R325-W372 HydrophobicContact CG-CZ2 3.7Å; R325-W372 HydrophobicContact CG-CZ3 4.11Å; Q328-W372 PolarHBondContact NE2-O 3.29Å; Q328-W372 VanDerWaalsContact NE2-O 3.16Å; Q328-W372 PolarHBondContact OE1-O 3.03Å; L368-W372 WeakPolarHBondContact O-CB 3.35Å; L368-W372 PolarHBondContact O-N 3.2Å; W372-R402 HydrophobicContact CE3-CG 4.21Å; W372-R402 HydrophobicContact CH2-CB 3.92Å; W372-R402 HydrophobicContact CH2-CG 4.01Å; W372-R402 HydrophobicContact CZ3-CB 4.08Å; W372-R402 HydrophobicContact CZ3-CG 3.63Å; W372-C407 HydrophobicContact CZ3-CB 4.27Å; W372-F410 WeakPolarHBondContact O-CB 3.45Å; W372-F410 WeakPolarHBondContact O-CD2 3.32Å
373M96.3Very high92.3Very high3 Ų325.4 Ų25.42%0.01512%0.12CC..  trans-106.8-2.7-173.3-67.8179.165.200114.8L262 F324 L368 A369 E375 F376 K377 F380 F410L262-M373 HydrophobicContact CD1-SD 3.83Å; L262-M373 HydrophobicContact CD2-CE 3.95Å; L262-M373 HydrophobicContact CD2-SD 3.79Å; L262-M373 HydrophobicContact CG-SD 4.38Å; F324-M373 HydrophobicContact CE2-CG 4.16Å; F324-M373 HydrophobicContact CE2-SD 4.42Å; L368-M373 HydrophobicContact CD1-CG 4.48Å; L368-M373 HydrophobicContact CD1-SD 3.96Å; A369-M373 HydrophobicContact CB-CG 4.43Å; A369-M373 HydrophobicContact CB-SD 3.67Å; A369-M373 WeakPolarHBondContact O-CB 3.37Å; A369-M373 PolarHBondContact O-N 3.32Å; M373-E375 PolarHBondContact O-N 2.75Å; M373-F376 HydrophobicContact CE-CB 4.46Å; M373-F376 WeakPolarHBondContact O-CA 3.37Å; M373-F376 VanDerWaalsContact O-CB 3.24Å; M373-F376 WeakPolarHBondContact O-CB 3.37Å; M373-F376 PolarHBondContact O-N 3.5Å; M373-K377 HydrophobicContact CB-CB 4.12Å; M373-F380 HydrophobicContact CE-CB 4.23Å; M373-F410 HydrophobicContact CB-CD1 4.41Å; M373-F410 HydrophobicContact CB-CG 4.47Å; M373-F410 HydrophobicContact CE-CE1 4.34Å; M373-F410 HydrophobicContact CE-CZ 4.49Å; M373-F410 HydrophobicContact CG-CD2 4.4Å; M373-F410 HydrophobicContact CG-CE1 4.25Å; M373-F410 HydrophobicContact CG-CE2 4.12Å; M373-F410 HydrophobicContact CG-CZ 4.01Å
374D95.1Very high91.8Very high42 Ų4224.2 Ų24.223%0.22512%0.118CC..G310 helixtrans50.1-131.4-179.8-55.7-41000112.1F376 K377 R402 P409 F410D374-F376 PolarHBondContact O-N 2.04Å; D374-K377 VanDerWaalsContact O-CD 3.31Å; D374-K377 WeakPolarHBondContact O-CD 3.4Å; D374-K377 WeakPolarHBondContact O-CG 3.41Å; D374-R402 VanDerWaalsContact CG-NH2 3.29Å; D374-R402 IonicContact OD1-CZ 3.83Å; D374-R402 VanDerWaalsContact OD1-CZ 3.24Å; D374-R402 IonicContact OD1-NH1 2.77Å; D374-R402 PolarHBondContact OD1-NH1 3.29Å; D374-R402 IonicContact OD1-NH2 3.34Å; D374-R402 PolarHBondContact OD1-NH2 3.35Å; D374-R402 IonicContact OD2-CZ 3.69Å; D374-R402 IonicContact OD2-NH1 3.97Å; D374-R402 IonicContact OD2-NH2 2.65Å; D374-R402 PolarHBondContact OD2-NH2 3.35Å; D374-P409 WeakPolarHBondContact OD2-CA 3.46Å; D374-F410 HydrophobicContact CB-CB 4.49Å; D374-F410 PolarHBondContact OD2-N 2.86Å
375E88.1Confident91.3Very high90 Ų9026.6 Ų26.642%0.42113%0.133SC..G310 helixtrans-66.3-19.9174.466.5-85.3-164.100113.6M373 K377 D378M373-E375 PolarHBondContact O-N 2.75Å; E375-K377 PolarHBondContact O-N 2.79Å; E375-D378 PolarHBondContact O-N 3.39Å
376F88.2Confident90.8Very high20 Ų2027.7 Ų27.79%0.08815%0.147CC..G310 helixtrans-71.9-12.9-178.1-62-94.3000113.1M373 D374 D378 F379 F410 L414 I423M373-F376 HydrophobicContact CE-CB 4.46Å; M373-F376 WeakPolarHBondContact O-CA 3.37Å; M373-F376 VanDerWaalsContact O-CB 3.24Å; M373-F376 WeakPolarHBondContact O-CB 3.37Å; M373-F376 PolarHBondContact O-N 3.5Å; D374-F376 PolarHBondContact O-N 2.04Å; F376-D378 PolarHBondContact O-N 2.93Å; F376-F379 HydrophobicContact CB-CD2 4.34Å; F376-F379 HydrophobicContact CD1-CD2 4.39Å; F376-F379 HydrophobicContact CD1-CE2 4.01Å; F376-F379 WeakPolarHBondContact O-CB 3.3Å; F376-F379 WeakPolarHBondContact O-CD2 3.48Å; F376-F379 PolarHBondContact O-N 3.46Å; F376-F410 HydrophobicContact CB-CD1 3.68Å; F376-F410 HydrophobicContact CB-CE1 3.94Å; F376-F410 HydrophobicContact CD2-CB 4.24Å; F376-F410 AromaticContact CD2-CD1 3.65Å; F376-F410 HydrophobicContact CD2-CD1 3.65Å; F376-F410 HydrophobicContact CD2-CG 4.44Å; F376-F410 HydrophobicContact CE2-CD1 4.45Å; F376-F410 AromaticContact CG-CD1 3.7Å; F376-F410 HydrophobicContact CG-CD1 3.7Å; F376-F410 HydrophobicContact CG-CE1 4.22Å; F376-L414 HydrophobicContact CD1-CD1 3.65Å; F376-L414 HydrophobicContact CE1-CD1 3.55Å; F376-L414 HydrophobicContact CE2-CD1 4.48Å; F376-L414 HydrophobicContact CG-CD1 4.17Å; F376-L414 HydrophobicContact CZ-CD1 3.99Å; F376-I423 HydrophobicContact CD1-CG2 4.26Å
377K90.1Very high90.4Very high47 Ų4726.1 Ų26.120%0.20414%0.141CC..Hα-helixtrans-63.4-29173.372.4-169.1176.71780112.7A369 E370 M373 D374 E375 F379 F380 Y381A369-K377 HydrophobicContact CB-CB 3.96Å; E370-K377 IonicContact OE2-NZ 3.32Å; E370-K377 PolarHBondContact OE2-NZ 3.28Å; M373-K377 HydrophobicContact CB-CB 4.12Å; D374-K377 VanDerWaalsContact O-CD 3.31Å; D374-K377 WeakPolarHBondContact O-CD 3.4Å; D374-K377 WeakPolarHBondContact O-CG 3.41Å; E375-K377 PolarHBondContact O-N 2.79Å; K377-F379 VanDerWaalsContact C-N 3.26Å; K377-F379 PolarHBondContact O-N 3.15Å; K377-F380 WeakPolarHBondContact O-CB 3.13Å; K377-F380 PolarHBondContact O-N 3.14Å; K377-F380 VanDerWaalsContact O-N 3.09Å; K377-Y381 HydrophobicContact CB-CE2 4.02Å; K377-Y381 HydrophobicContact CD-CE2 4.01Å; K377-Y381 HydrophobicContact CG-CD2 4.32Å; K377-Y381 HydrophobicContact CG-CE2 3.72Å; K377-Y381 WeakPolarHBondContact O-CD2 3.48Å; K377-Y381 VanDerWaalsContact O-CG 3.32Å; K377-Y381 PolarHBondContact O-N 3.16Å
378D84.4Confident90Very high86 Ų8629.7 Ų29.746%0.4616%0.159SC..Hα-helixtrans-66-33.8-178.4-66.9-23.6000111.2E375 F376 Y381 I382E375-D378 PolarHBondContact O-N 3.39Å; F376-D378 PolarHBondContact O-N 2.93Å; D378-Y381 PolarHBondContact O-N 3.28Å; D378-I382 WeakPolarHBondContact O-CD1 3.25Å; D378-I382 VanDerWaalsContact O-CG1 3.28Å; D378-I382 WeakPolarHBondContact O-CG1 3.48Å; D378-I382 PolarHBondContact O-N 3.08Å
379F82.3Confident89.6Confident18 Ų1840 Ų408%0.07920%0.197CC..Hα-helixtrans-59.3-49.6171.3-63.3-104.9000110.9F376 K377 Y381 I382 I383 P424 Y427 L430F376-F379 HydrophobicContact CB-CD2 4.34Å; F376-F379 HydrophobicContact CD1-CD2 4.39Å; F376-F379 HydrophobicContact CD1-CE2 4.01Å; F376-F379 WeakPolarHBondContact O-CB 3.3Å; F376-F379 WeakPolarHBondContact O-CD2 3.48Å; F376-F379 PolarHBondContact O-N 3.46Å; K377-F379 VanDerWaalsContact C-N 3.26Å; K377-F379 PolarHBondContact O-N 3.15Å; F379-Y381 VanDerWaalsContact C-N 3.28Å; F379-Y381 PolarHBondContact O-N 2.96Å; F379-I382 PolarHBondContact O-N 3.17Å; F379-I383 VanDerWaalsContact O-CD1 3.26Å; F379-I383 WeakPolarHBondContact O-CD1 3.31Å; F379-I383 VanDerWaalsContact O-CG1 3.24Å; F379-I383 WeakPolarHBondContact O-CG1 3.22Å; F379-I383 PolarHBondContact O-N 2.69Å; F379-I383 VanDerWaalsContact O-N 3.1Å; F379-P424 HydrophobicContact CE1-CG 4.2Å; F379-Y427 AromaticContact CE1-CD1 3.92Å; F379-Y427 HydrophobicContact CE1-CD1 3.92Å; F379-Y427 AromaticContact CE1-CE1 3.44Å; F379-Y427 HydrophobicContact CE1-CE1 3.44Å; F379-Y427 VanDerWaalsContact CE1-CE1 3.44Å; F379-Y427 HydrophobicContact CE1-CE2 4.21Å; F379-Y427 AromaticContact CE1-CZ 3.53Å; F379-Y427 HydrophobicContact CE2-CE1 4.43Å; F379-Y427 HydrophobicContact CZ-CD1 4.05Å; F379-Y427 AromaticContact CZ-CE1 3.18Å; F379-Y427 HydrophobicContact CZ-CE1 3.18Å; F379-Y427 HydrophobicContact CZ-CE2 4.41Å; F379-Y427 AromaticContact CZ-CZ 3.35Å; F379-Y427 WeakPolarHBondContact CZ-OH 3.26Å; F379-L430 HydrophobicContact CB-CD2 4.38Å; F379-L430 HydrophobicContact CD1-CD1 4.05Å; F379-L430 HydrophobicContact CD1-CD2 3.23Å; F379-L430 HydrophobicContact CD1-CG 4.23Å; F379-L430 HydrophobicContact CE1-CD1 4.45Å; F379-L430 HydrophobicContact CE1-CD2 3.6Å; F379-L430 HydrophobicContact CE1-CG 4.49Å; F379-L430 HydrophobicContact CG-CD2 3.87Å; F379-L430 HydrophobicContact CZ-CD2 4.5Å
380F87.1Confident89.3Confident4 Ų440.9 Ų40.92%0.01820%0.203CC..Hα-helixtrans-60.3-40179.2171.1-122.6000111.4L262 N365 A369 M373 K377 I383 S384 V387L262-F380 HydrophobicContact CB-CD2 4.44Å; L262-F380 HydrophobicContact CB-CE2 4.08Å; L262-F380 HydrophobicContact CB-CZ 4.44Å; L262-F380 HydrophobicContact CD1-CD1 3.67Å; L262-F380 HydrophobicContact CD1-CD2 3.88Å; L262-F380 HydrophobicContact CD1-CE1 3.57Å; L262-F380 HydrophobicContact CD1-CE2 3.81Å; L262-F380 HydrophobicContact CD1-CG 3.81Å; L262-F380 HydrophobicContact CD1-CZ 3.65Å; L262-F380 HydrophobicContact CG-CD1 4.4Å; L262-F380 HydrophobicContact CG-CD2 3.72Å; L262-F380 HydrophobicContact CG-CE1 4.43Å; L262-F380 HydrophobicContact CG-CE2 3.79Å; L262-F380 HydrophobicContact CG-CG 4.04Å; L262-F380 HydrophobicContact CG-CZ 4.16Å; N365-F380 HydrophobicContact CB-CE1 4.01Å; N365-F380 HydrophobicContact CB-CZ 3.73Å; A369-F380 HydrophobicContact CB-CD1 4.08Å; A369-F380 HydrophobicContact CB-CE1 4.47Å; M373-F380 HydrophobicContact CE-CB 4.23Å; K377-F380 WeakPolarHBondContact O-CB 3.13Å; K377-F380 PolarHBondContact O-N 3.14Å; K377-F380 VanDerWaalsContact O-N 3.09Å; F380-I383 PolarHBondContact O-N 3.44Å; F380-S384 WeakPolarHBondContact O-CB 3.12Å; F380-S384 PolarHBondContact O-N 3.5Å; F380-V387 HydrophobicContact CE1-CB 4.28Å; F380-V387 HydrophobicContact CE1-CG1 3.74Å; F380-V387 HydrophobicContact CE1-CG2 3.92Å; F380-V387 HydrophobicContact CE2-CG2 4.29Å; F380-V387 HydrophobicContact CZ-CB 4.38Å; F380-V387 HydrophobicContact CZ-CG1 4.21Å; F380-V387 HydrophobicContact CZ-CG2 3.53Å
381Y88.3Confident89Confident18 Ų1845.8 Ų45.87%0.07123%0.23CC..Hα-helixtrans-68.3-37178.4-61.8-27.6000113.8R366 A369 E370 K377 D378 F379 I383 S384 P385 V387 M388R366-Y381 HydrophobicContact CG-CE1 4.27Å; A369-Y381 HydrophobicContact CB-CE1 4.46Å; E370-Y381 VanDerWaalsContact CD-OH 3.3Å; E370-Y381 WeakPolarHBondContact CG-OH 3.45Å; E370-Y381 PolarHBondContact OE1-OH 3.09Å; E370-Y381 VanDerWaalsContact OE1-OH 3.09Å; K377-Y381 HydrophobicContact CB-CE2 4.02Å; K377-Y381 HydrophobicContact CD-CE2 4.01Å; K377-Y381 HydrophobicContact CG-CD2 4.32Å; K377-Y381 HydrophobicContact CG-CE2 3.72Å; K377-Y381 WeakPolarHBondContact O-CD2 3.48Å; K377-Y381 VanDerWaalsContact O-CG 3.32Å; K377-Y381 PolarHBondContact O-N 3.16Å; D378-Y381 PolarHBondContact O-N 3.28Å; F379-Y381 VanDerWaalsContact C-N 3.28Å; F379-Y381 PolarHBondContact O-N 2.96Å; Y381-I383 VanDerWaalsContact C-N 3.33Å; Y381-S384 CarbonylContact O-C 3.55Å; Y381-P385 WeakPolarHBondContact O-CA 3.01Å; Y381-V387 HydrophobicContact CD1-CG1 4.15Å; Y381-V387 HydrophobicContact CE1-CG1 3.96Å; Y381-M388 HydrophobicContact CD1-CG 4.09Å; Y381-M388 HydrophobicContact CD1-SD 3.56Å; Y381-M388 VanDerWaalsContact CD1-SD 3.56Å; Y381-M388 HydrophobicContact CD2-CE 4.16Å; Y381-M388 HydrophobicContact CD2-CG 4.48Å; Y381-M388 HydrophobicContact CD2-SD 3.47Å; Y381-M388 WeakPolarHBondContact CD2-SD 3.37Å; Y381-M388 HydrophobicContact CE1-SD 3.82Å; Y381-M388 HydrophobicContact CE2-CE 4.43Å; Y381-M388 HydrophobicContact CE2-SD 3.71Å; Y381-M388 HydrophobicContact CG-CG 3.91Å; Y381-M388 HydrophobicContact CG-SD 3.38Å
382I83.5Confident88.9Confident67 Ų6748 Ų4834%0.34424%0.239SC..Hα-helixtrans-65.9-39.3175.6-68.5163.7000110.5D378 F379 L430 G462 G463 V466D378-I382 WeakPolarHBondContact O-CD1 3.25Å; D378-I382 VanDerWaalsContact O-CG1 3.28Å; D378-I382 WeakPolarHBondContact O-CG1 3.48Å; D378-I382 PolarHBondContact O-N 3.08Å; F379-I382 PolarHBondContact O-N 3.17Å; I382-L430 HydrophobicContact CD1-CD2 3.92Å; I382-G462 WeakPolarHBondContact O-CA 3.33Å; I382-G463 PolarHBondContact O-N 2.8Å; I382-V466 HydrophobicContact CG2-CB 4.45Å; I382-V466 HydrophobicContact CG2-CG1 3.87Å; I382-V466 HydrophobicContact CG2-CG2 3.64Å
383I83.5Confident88.8Confident10 Ų1049.5 Ų49.55%0.05125%0.254CS..Hα-helixtrans-78.2-35.8-178-62.3160.2000111.5W260 K261 F379 F380 Y381 P385 G463 V466W260-I383 HydrophobicContact CB-CD1 3.5Å; W260-I383 VanDerWaalsContact CB-CD1 3.5Å; W260-I383 HydrophobicContact CD2-CD1 3.97Å; W260-I383 HydrophobicContact CE3-CD1 3.38Å; W260-I383 HydrophobicContact CE3-CG1 4.31Å; W260-I383 HydrophobicContact CG-CD1 4.1Å; W260-I383 HydrophobicContact CZ3-CD1 4.33Å; K261-I383 HydrophobicContact CD-CG2 4.48Å; K261-I383 HydrophobicContact CG-CG2 3.73Å; F379-I383 VanDerWaalsContact O-CD1 3.26Å; F379-I383 WeakPolarHBondContact O-CD1 3.31Å; F379-I383 VanDerWaalsContact O-CG1 3.24Å; F379-I383 WeakPolarHBondContact O-CG1 3.22Å; F379-I383 PolarHBondContact O-N 2.69Å; F379-I383 VanDerWaalsContact O-N 3.1Å; F380-I383 PolarHBondContact O-N 3.44Å; Y381-I383 VanDerWaalsContact C-N 3.33Å; I383-P385 VanDerWaalsContact C-CD 3.41Å; I383-P385 VanDerWaalsContact O-CD 3.27Å; I383-P385 WeakPolarHBondContact O-CD 3.39Å; I383-G463 WeakPolarHBondContact O-CA 3.44Å; I383-V466 HydrophobicContact CG1-CB 4.28Å; I383-V466 HydrophobicContact CG1-CG1 3.79Å
384S86.7Confident88.8Confident23 Ų2354.5 Ų54.516%0.16128%0.281CS..  trans-120.666.3-176.6-63.60000110.4F380 Y381 G386 V387F380-S384 WeakPolarHBondContact O-CB 3.12Å; F380-S384 PolarHBondContact O-N 3.5Å; Y381-S384 CarbonylContact O-C 3.55Å; S384-G386 PolarHBondContact O-N 3.23Å; S384-V387 VanDerWaalsContact O-CB 3.27Å; S384-V387 WeakPolarHBondContact O-CB 3.16Å; S384-V387 WeakPolarHBondContact O-CG2 3.32Å; S384-V387 PolarHBondContact O-N 3.39Å
385P84Confident89Confident50 Ų5052.7 Ų52.733%0.32527%0.272SS..G310 helixtrans-59.3-26.9-174.129.7-42.7000113.3Y381 I383 V387 M388 M461Y381-P385 WeakPolarHBondContact O-CA 3.01Å; I383-P385 VanDerWaalsContact C-CD 3.41Å; I383-P385 VanDerWaalsContact O-CD 3.27Å; I383-P385 WeakPolarHBondContact O-CD 3.39Å; P385-V387 PolarHBondContact O-N 3.07Å; P385-M388 PolarHBondContact O-N 3.42Å; P385-M461 VanDerWaalsContact CG-O 3.25Å; P385-M461 WeakPolarHBondContact CG-O 3.47Å
386G85.6Confident89.5Confident30 Ų3051.9 Ų51.931%0.30928%0.276SS..G310 helixtrans-61.3-24.2176.900000113.4S384 M388 R389S384-G386 PolarHBondContact O-N 3.23Å; G386-M388 VanDerWaalsContact C-N 3.31Å; G386-M388 PolarHBondContact O-N 3.25Å; G386-R389 PolarHBondContact O-N 3.47Å
387V88.9Confident90Very high0 Ų054.6 Ų54.60%030%0.297CS..G310 helixtrans-65.2-36.7178175.80000111.4N362 R366 F380 Y381 S384 P385 R389 V390N362-V387 HydrophobicContact CB-CG2 4.14Å; R366-V387 HydrophobicContact CB-CG1 3.71Å; R366-V387 HydrophobicContact CG-CG1 4.12Å; F380-V387 HydrophobicContact CE1-CB 4.28Å; F380-V387 HydrophobicContact CE1-CG1 3.74Å; F380-V387 HydrophobicContact CE1-CG2 3.92Å; F380-V387 HydrophobicContact CE2-CG2 4.29Å; F380-V387 HydrophobicContact CZ-CB 4.38Å; F380-V387 HydrophobicContact CZ-CG1 4.21Å; F380-V387 HydrophobicContact CZ-CG2 3.53Å; Y381-V387 HydrophobicContact CD1-CG1 4.15Å; Y381-V387 HydrophobicContact CE1-CG1 3.96Å; S384-V387 VanDerWaalsContact O-CB 3.27Å; S384-V387 WeakPolarHBondContact O-CB 3.16Å; S384-V387 WeakPolarHBondContact O-CG2 3.32Å; S384-V387 PolarHBondContact O-N 3.39Å; P385-V387 PolarHBondContact O-N 3.07Å; V387-R389 PolarHBondContact O-N 3.29Å; V387-V390 PolarHBondContact O-N 3.4Å
388M88.9Confident90.4Very high86 Ų8653 Ų5342%0.42429%0.29SS..G310 helixtrans-68.9-16-178.1-68.2-60.4-78.100113.6R366 Y381 P385 G386 V390R366-M388 VanDerWaalsContact NH1-C 3.34Å; R366-M388 PolarHBondContact NH1-O 3.18Å; Y381-M388 HydrophobicContact CD1-CG 4.09Å; Y381-M388 HydrophobicContact CD1-SD 3.56Å; Y381-M388 VanDerWaalsContact CD1-SD 3.56Å; Y381-M388 HydrophobicContact CD2-CE 4.16Å; Y381-M388 HydrophobicContact CD2-CG 4.48Å; Y381-M388 HydrophobicContact CD2-SD 3.47Å; Y381-M388 WeakPolarHBondContact CD2-SD 3.37Å; Y381-M388 HydrophobicContact CE1-SD 3.82Å; Y381-M388 HydrophobicContact CE2-CE 4.43Å; Y381-M388 HydrophobicContact CE2-SD 3.71Å; Y381-M388 HydrophobicContact CG-CG 3.91Å; Y381-M388 HydrophobicContact CG-SD 3.38Å; P385-M388 PolarHBondContact O-N 3.42Å; G386-M388 VanDerWaalsContact C-N 3.31Å; G386-M388 PolarHBondContact O-N 3.25Å; M388-V390 VanDerWaalsContact C-N 3.34Å
389R88.6Confident91Very high215 Ų21552.7 Ų52.781%0.81129%0.285SS*.G310 helixtrans-85.8-6.6178.8-57.8-177.4-176.8176.80.4113.5G386 V387G386-R389 PolarHBondContact O-N 3.47Å; V387-R389 PolarHBondContact O-N 3.29Å
390V90.4Very high91.8Very high20 Ų2054.3 Ų54.312%0.12130%0.301CS..SBendtrans-104129.2-175.8-178.40000109.8Q359 N362 K363 R366 V387 M388 Y392Q359-V390 HydrophobicContact CG-CG1 4.19Å; N362-V390 HydrophobicContact CB-CB 4.39Å; N362-V390 HydrophobicContact CB-CG2 3.9Å; K363-V390 HydrophobicContact CB-CG1 3.79Å; R366-V390 PolarHBondContact NH1-O 3.5Å; V387-V390 PolarHBondContact O-N 3.4Å; M388-V390 VanDerWaalsContact C-N 3.34Å; V390-Y392 PolarHBondContact O-N 3.4Å
391D92.9Very high92.4Very high129 Ų12955.7 Ų55.769%0.6931%0.308SS*.  trans-68.1127.8168177.727.9000109.8G393D391-G393 PolarHBondContact OD1-N 2.94Å
392Y95Very high92.9Very high49 Ų4956.4 Ų56.419%0.19231%0.311CS..  trans-105-3.6-176.868.2-86000113.1R366 R367 E370 V390 V395R366-Y392 HydrophobicContact CB-CG 4.28Å; R366-Y392 HydrophobicContact CG-CD1 3.66Å; R366-Y392 HydrophobicContact CG-CE1 4.27Å; R366-Y392 HydrophobicContact CG-CG 3.8Å; R367-Y392 WeakPolarHBondContact CD-O 3.44Å; R367-Y392 HydrophobicContact CG-CD2 4.18Å; R367-Y392 VanDerWaalsContact CG-O 3.29Å; R367-Y392 WeakPolarHBondContact CG-O 3.34Å; R367-Y392 PolarHBondContact NH1-O 3.34Å; E370-Y392 HydrophobicContact CB-CE2 4.15Å; E370-Y392 HydrophobicContact CG-CD2 4.36Å; E370-Y392 HydrophobicContact CG-CE1 4.26Å; E370-Y392 HydrophobicContact CG-CE2 3.8Å; V390-Y392 PolarHBondContact O-N 3.4Å; Y392-V395 HydrophobicContact CD2-CG1 3.81Å; Y392-V395 HydrophobicContact CE2-CG1 3.88Å; Y392-V395 HydrophobicContact CE2-CG2 3.93Å
393G96.3Very high93.6Very high32 Ų3260.3 Ų60.333%0.3333%0.328SS..  trans68.9-168.9-179.500000113.8D391D391-G393 PolarHBondContact OD1-N 2.94Å
394D97.5Very high94.3Very high108 Ų10863.6 Ų63.658%0.57836%0.357SS*.  trans-76.8133.7-177.4-177.628.8000112.6R367 S396R367-D394 PolarHBondContact NH1-O 3.04Å; R367-D394 PolarHBondContact NH2-O 3.19Å; D394-S396 WeakPolarHBondContact OD1-CB 3.44Å; D394-S396 PolarHBondContact OD1-N 2.99Å; D394-S396 PolarHBondContact OD1-OG 2.81Å
395V98.4Very high94.9Very high5 Ų565.5 Ų65.53%0.0337%0.365CS..  trans-121.59.6176.3-62.40000112.4R367 E370 V371 Y392 S397 R398 K399R367-V395 HydrophobicContact CB-CG1 4.16Å; R367-V395 HydrophobicContact CG-CG1 4.11Å; E370-V395 HydrophobicContact CB-CG2 4.48Å; V371-V395 HydrophobicContact CG2-CB 3.72Å; V371-V395 HydrophobicContact CG2-CG1 4.16Å; V371-V395 HydrophobicContact CG2-CG2 4.12Å; Y392-V395 HydrophobicContact CD2-CG1 3.81Å; Y392-V395 HydrophobicContact CE2-CG1 3.88Å; Y392-V395 HydrophobicContact CE2-CG2 3.93Å; V395-S397 VanDerWaalsContact C-N 3.32Å; V395-S397 PolarHBondContact O-N 3.49Å; V395-R398 WeakPolarHBondContact O-CB 3.22Å; V395-R398 PolarHBondContact O-N 2.99Å; V395-K399 HydrophobicContact CG2-CD 4.23Å; V395-K399 HydrophobicContact CG2-CG 4.43Å; V395-K399 PolarHBondContact O-N 3.21Å
396S98.5Very high95.5Very high73 Ų7372 Ų7251%0.5139%0.388SS..Hα-helixtrans-57.4-42.3-175-59.30000112.4D394 R398 K399 A400D394-S396 WeakPolarHBondContact OD1-CB 3.44Å; D394-S396 PolarHBondContact OD1-N 2.99Å; D394-S396 PolarHBondContact OD1-OG 2.81Å; S396-R398 VanDerWaalsContact C-N 3.3Å; S396-R398 PolarHBondContact O-N 2.88Å; S396-K399 PolarHBondContact O-N 3.18Å; S396-A400 WeakPolarHBondContact O-CB 3.39Å; S396-A400 PolarHBondContact O-N 3.2Å
397S98.2Very high96.2Very high77 Ų7771.6 Ų71.654%0.53838%0.38SS..Hα-helixtrans-63.3-34.3176.362.30000113.1V395 L401V395-S397 VanDerWaalsContact C-N 3.32Å; V395-S397 PolarHBondContact O-N 3.49Å; S397-L401 WeakPolarHBondContact O-CB 3.33Å; S397-L401 PolarHBondContact O-N 3.22Å
398R98.6Very high96.6Very high13 Ų1375.9 Ų75.95%0.04940%0.399CS..Hα-helixtrans-74.2-37.5178-55.8-53.9-61.8175.6-5.1111.7G306 D309 E321 R325 V371 V395 S396 L401 R402G306-R398 PolarHBondContact O-NH1 3.29Å; D309-R398 HydrophobicContact CB-CG 4.42Å; E321-R398 IonicContact OE1-CZ 3.64Å; E321-R398 IonicContact OE1-NE 3.32Å; E321-R398 IonicContact OE1-NH2 3.81Å; E321-R398 PolarHBondContact OE1-NH2 3.46Å; R325-R398 VanDerWaalsContact NE-NH2 3.1Å; V371-R398 HydrophobicContact CB-CB 4.49Å; V371-R398 HydrophobicContact CG1-CB 3.91Å; V371-R398 HydrophobicContact CG2-CB 3.76Å; V395-R398 WeakPolarHBondContact O-CB 3.22Å; V395-R398 PolarHBondContact O-N 2.99Å; S396-R398 VanDerWaalsContact C-N 3.3Å; S396-R398 PolarHBondContact O-N 2.88Å; R398-L401 PolarHBondContact O-N 2.98Å; R398-R402 PolarHBondContact O-N 2.94Å; R398-R402 VanDerWaalsContact O-N 3.08Å
399K98.6Very high97.1Very high80 Ų8074.8 Ų74.835%0.34840%0.398SS..Hα-helixtrans-65.4-46.8172.2-69.4-176.9173.8179.20111.5E370 V371 V395 S396 L401 R402 E403E370-K399 WeakPolarHBondContact O-CE 3.36Å; V371-K399 HydrophobicContact CG2-CG 4.26Å; V395-K399 HydrophobicContact CG2-CD 4.23Å; V395-K399 HydrophobicContact CG2-CG 4.43Å; V395-K399 PolarHBondContact O-N 3.21Å; S396-K399 PolarHBondContact O-N 3.18Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-L401 PolarHBondContact O-N 3.46Å; K399-R402 WeakPolarHBondContact O-CB 3.15Å; K399-R402 PolarHBondContact O-N 3.24Å; K399-R402 VanDerWaalsContact O-N 3.1Å; K399-E403 WeakPolarHBondContact O-CG 3.48Å; K399-E403 PolarHBondContact O-N 2.79Å
400A98.7Very high97.5Very high51 Ų5164.5 Ų64.542%0.42136%0.359SS..Hα-helixtrans-59.8-39.417600000112.3S396 E403 A404S396-A400 WeakPolarHBondContact O-CB 3.39Å; S396-A400 PolarHBondContact O-N 3.2Å; A400-E403 PolarHBondContact O-N 2.62Å; A400-A404 VanDerWaalsContact O-CB 3.27Å; A400-A404 WeakPolarHBondContact O-CB 3.47Å; A400-A404 PolarHBondContact O-N 3.38Å
401L98.6Very high97.6Very high33 Ų3365.1 Ų65.117%0.17336%0.364CS..Hα-helixtrans-61-46.5173176.168.7000111.9I305 S397 R398 K399 E403 A404 L405I305-L401 WeakPolarHBondContact O-CD2 3.45Å; S397-L401 WeakPolarHBondContact O-CB 3.33Å; S397-L401 PolarHBondContact O-N 3.22Å; R398-L401 PolarHBondContact O-N 2.98Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-L401 PolarHBondContact O-N 3.46Å; L401-E403 VanDerWaalsContact C-N 3.31Å; L401-E403 PolarHBondContact O-N 3.44Å; L401-A404 PolarHBondContact O-N 3.1Å; L401-L405 HydrophobicContact CD1-CD1 3.76Å; L401-L405 HydrophobicContact CD1-CG 4.1Å; L401-L405 HydrophobicContact CG-CD1 4Å; L401-L405 WeakPolarHBondContact O-CB 3.21Å; L401-L405 WeakPolarHBondContact O-CG 3.42Å; L401-L405 PolarHBondContact O-N 3.29Å
402R98.6Very high97.8Very high34 Ų3461.9 Ų61.913%0.12834%0.342CS..Hα-helixtrans-58.9-42.9177.7-175.1178.4-178.4-152.5-4.8111.7V371 W372 D374 R398 K399 K406 C407V371-R402 WeakPolarHBondContact O-CD 3.44Å; V371-R402 PolarHBondContact O-NH1 3.45Å; W372-R402 HydrophobicContact CE3-CG 4.21Å; W372-R402 HydrophobicContact CH2-CB 3.92Å; W372-R402 HydrophobicContact CH2-CG 4.01Å; W372-R402 HydrophobicContact CZ3-CB 4.08Å; W372-R402 HydrophobicContact CZ3-CG 3.63Å; D374-R402 VanDerWaalsContact CG-NH2 3.29Å; D374-R402 IonicContact OD1-CZ 3.83Å; D374-R402 VanDerWaalsContact OD1-CZ 3.24Å; D374-R402 IonicContact OD1-NH1 2.77Å; D374-R402 PolarHBondContact OD1-NH1 3.29Å; D374-R402 IonicContact OD1-NH2 3.34Å; D374-R402 PolarHBondContact OD1-NH2 3.35Å; D374-R402 IonicContact OD2-CZ 3.69Å; D374-R402 IonicContact OD2-NH1 3.97Å; D374-R402 IonicContact OD2-NH2 2.65Å; D374-R402 PolarHBondContact OD2-NH2 3.35Å; R398-R402 PolarHBondContact O-N 2.94Å; R398-R402 VanDerWaalsContact O-N 3.08Å; K399-R402 WeakPolarHBondContact O-CB 3.15Å; K399-R402 PolarHBondContact O-N 3.24Å; K399-R402 VanDerWaalsContact O-N 3.1Å; R402-K406 PolarHBondContact O-N 3.37Å; R402-C407 HydrophobicContact CG-CB 3.78Å; R402-C407 PolarHBondContact O-N 3.06Å; R402-C407 VanDerWaalsContact O-N 3.1Å; R402-C407 PolarHBondContact O-SG 3.47Å; R402-C407 VanDerWaalsContact O-SG 3.33Å
403E98.5Very high97.9Very high149 Ų14959.5 Ų59.570%0.69633%0.333SS*.Hα-helixtrans-65.7-47.8175.9-70.7172.3-169.700111.9K399 A400 L401 L405 K406K399-E403 WeakPolarHBondContact O-CG 3.48Å; K399-E403 PolarHBondContact O-N 2.79Å; A400-E403 PolarHBondContact O-N 2.62Å; L401-E403 VanDerWaalsContact C-N 3.31Å; L401-E403 PolarHBondContact O-N 3.44Å; E403-L405 VanDerWaalsContact C-N 3.32Å; E403-L405 PolarHBondContact O-N 2.92Å; E403-K406 WeakPolarHBondContact O-CA 3.45Å; E403-K406 PolarHBondContact O-N 2.84Å
404A98.5Very high97.8Very high79 Ų7958 Ų5865%0.65332%0.317SS*.Hα-helixtrans-61-39.6-178.800000112.6A400 L401 K406A400-A404 VanDerWaalsContact O-CB 3.27Å; A400-A404 WeakPolarHBondContact O-CB 3.47Å; A400-A404 PolarHBondContact O-N 3.38Å; L401-A404 PolarHBondContact O-N 3.1Å; A404-K406 PolarHBondContact O-N 3.38Å
405L98.4Very high97.6Very high63 Ų6358 Ų5833%0.3331%0.314SS..THydrogen-bonded Turntrans-78.3-3.6176.3-67.6176.8000113.3C329 L401 E403 C407C329-L405 HydrophobicContact CB-CB 4.37Å; C329-L405 HydrophobicContact CB-CD1 4.24Å; L401-L405 HydrophobicContact CD1-CD1 3.76Å; L401-L405 HydrophobicContact CD1-CG 4.1Å; L401-L405 HydrophobicContact CG-CD1 4Å; L401-L405 WeakPolarHBondContact O-CB 3.21Å; L401-L405 WeakPolarHBondContact O-CG 3.42Å; L401-L405 PolarHBondContact O-N 3.29Å; E403-L405 VanDerWaalsContact C-N 3.32Å; E403-L405 PolarHBondContact O-N 2.92Å; L405-C407 WeakPolarHBondContact CB-SG 3.5Å; L405-C407 PolarHBondContact O-N 3.19Å
406K98.5Very high97.4Very high186 Ų18661.8 Ų61.881%0.80933%0.334SS*.THydrogen-bonded Turntrans52.543.8-177.4-56.7179.4-178.6179.50111.8R402 E403 A404R402-K406 PolarHBondContact O-N 3.37Å; E403-K406 WeakPolarHBondContact O-CA 3.45Å; E403-K406 PolarHBondContact O-N 2.84Å; A404-K406 PolarHBondContact O-N 3.38Å
407C98.7Very high97.3Very high21 Ų2159.2 Ų59.214%0.14231%0.314CS..PPolyproline II helixtrans-66.1146.6-177.1-48.80000110.7Q328 C329 W372 R402 L405Q328-C407 HydrophobicContact CB-CB 4.09Å; Q328-C407 CarbonylContact O-C 3.36Å; Q328-C407 VanDerWaalsContact O-CA 3.27Å; Q328-C407 WeakPolarHBondContact O-CA 3.28Å; C329-C407 HydrophobicContact CB-CB 4.06Å; C329-C407 WeakPolarHBondContact CB-SG 3.48Å; C329-C407 WeakPolarHBondContact SG-CB 3.27Å; C329-C407 CovalentContact SG-SG 2.04Å; C329-C407 PolarHBondContact SG-SG 3.01Å; W372-C407 HydrophobicContact CZ3-CB 4.27Å; R402-C407 HydrophobicContact CG-CB 3.78Å; R402-C407 PolarHBondContact O-N 3.06Å; R402-C407 VanDerWaalsContact O-N 3.1Å; R402-C407 PolarHBondContact O-SG 3.47Å; R402-C407 VanDerWaalsContact O-SG 3.33Å; L405-C407 WeakPolarHBondContact CB-SG 3.5Å; L405-C407 PolarHBondContact O-N 3.19Å
408K98.7Very high97.2Very high91 Ų9155.7 Ų55.740%0.39629%0.289SS..PPolyproline II helixtrans-69.5156.5179.1-60.1-177.4-175.9-69.70111Q328 W412Q328-K408 WeakPolarHBondContact CB-O 3.34Å; Q328-K408 WeakPolarHBondContact CG-O 3.35Å; Q328-K408 PolarHBondContact O-N 3.27Å; Q328-K408 PolarHBondContact OE1-O 3.48Å; K408-W412 HydrophobicContact CB-CB 4.17Å; K408-W412 HydrophobicContact CB-CD2 3.83Å; K408-W412 HydrophobicContact CB-CE3 3.7Å; K408-W412 HydrophobicContact CB-CG 4.01Å; K408-W412 HydrophobicContact CB-CZ3 4.41Å; K408-W412 HydrophobicContact CD-CD2 3.22Å; K408-W412 HydrophobicContact CD-CE3 3.5Å; K408-W412 VanDerWaalsContact CD-CE3 3.5Å; K408-W412 HydrophobicContact CD-CG 3.79Å; K408-W412 HydrophobicContact CD-CH2 3.74Å; K408-W412 HydrophobicContact CD-CZ2 3.48Å; K408-W412 VanDerWaalsContact CD-CZ2 3.48Å; K408-W412 HydrophobicContact CD-CZ3 3.74Å; K408-W412 HydrophobicContact CG-CD2 4.16Å; K408-W412 HydrophobicContact CG-CE3 4.23Å; K408-W412 HydrophobicContact CG-CG 4.47Å
409P98Very high96.8Very high62 Ų6256.7 Ų56.740%0.40330%0.297SS..PPolyproline II helixtrans-69.3162.3175.929.5-35.7000112.1D374 S411 W412 Y413D374-P409 WeakPolarHBondContact OD2-CA 3.46Å; P409-S411 VanDerWaalsContact C-N 3.28Å; P409-S411 PolarHBondContact O-N 3.15Å; P409-W412 HydrophobicContact CG-CB 4.07Å; P409-W412 WeakPolarHBondContact O-CB 3.26Å; P409-W412 PolarHBondContact O-N 2.87Å; P409-W412 VanDerWaalsContact O-N 3.15Å; P409-Y413 PolarHBondContact O-N 3.24Å
410F96.9Very high96.2Very high0 Ų055.7 Ų55.70%030%0.296CS..Hα-helixtrans-67.1-29.7179.2-164.3-110.7000112.7F258 F324 W372 M373 D374 F376 W412 Y413 L414F258-F410 HydrophobicContact CE2-CZ 4.42Å; F258-F410 AromaticContact CZ-CZ 3.83Å; F258-F410 HydrophobicContact CZ-CZ 3.83Å; F324-F410 HydrophobicContact CD1-CE2 4.11Å; F324-F410 AromaticContact CD2-CE2 3.89Å; F324-F410 HydrophobicContact CD2-CE2 3.89Å; F324-F410 HydrophobicContact CE1-CE2 4.09Å; F324-F410 HydrophobicContact CE1-CZ 4.45Å; F324-F410 AromaticContact CE2-CE2 3.85Å; F324-F410 HydrophobicContact CE2-CE2 3.85Å; F324-F410 HydrophobicContact CE2-CZ 4.18Å; F324-F410 HydrophobicContact CG-CE2 4.03Å; F324-F410 AromaticContact CZ-CE2 3.96Å; F324-F410 HydrophobicContact CZ-CE2 3.96Å; F324-F410 HydrophobicContact CZ-CZ 4.08Å; W372-F410 WeakPolarHBondContact O-CB 3.45Å; W372-F410 WeakPolarHBondContact O-CD2 3.32Å; M373-F410 HydrophobicContact CB-CD1 4.41Å; M373-F410 HydrophobicContact CB-CG 4.47Å; M373-F410 HydrophobicContact CE-CE1 4.34Å; M373-F410 HydrophobicContact CE-CZ 4.49Å; M373-F410 HydrophobicContact CG-CD2 4.4Å; M373-F410 HydrophobicContact CG-CE1 4.25Å; M373-F410 HydrophobicContact CG-CE2 4.12Å; M373-F410 HydrophobicContact CG-CZ 4.01Å; D374-F410 HydrophobicContact CB-CB 4.49Å; D374-F410 PolarHBondContact OD2-N 2.86Å; F376-F410 HydrophobicContact CB-CD1 3.68Å; F376-F410 HydrophobicContact CB-CE1 3.94Å; F376-F410 HydrophobicContact CD2-CB 4.24Å; F376-F410 AromaticContact CD2-CD1 3.65Å; F376-F410 HydrophobicContact CD2-CD1 3.65Å; F376-F410 HydrophobicContact CD2-CG 4.44Å; F376-F410 HydrophobicContact CE2-CD1 4.45Å; F376-F410 AromaticContact CG-CD1 3.7Å; F376-F410 HydrophobicContact CG-CD1 3.7Å; F376-F410 HydrophobicContact CG-CE1 4.22Å; F410-W412 VanDerWaalsContact C-N 3.31Å; F410-W412 PolarHBondContact O-N 3.33Å; F410-Y413 AromaticContact CD2-CD1 3.96Å; F410-Y413 HydrophobicContact CD2-CD1 3.96Å; F410-Y413 HydrophobicContact CD2-CG 4.37Å; F410-Y413 AromaticContact CE2-CD1 3.61Å; F410-Y413 HydrophobicContact CE2-CD1 3.61Å; F410-Y413 AromaticContact CE2-CE1 3.97Å; F410-Y413 HydrophobicContact CE2-CE1 3.97Å; F410-Y413 HydrophobicContact CE2-CG 4.37Å; F410-Y413 HydrophobicContact CZ-CD1 4.09Å; F410-Y413 HydrophobicContact CZ-CE1 4.28Å; F410-Y413 WeakPolarHBondContact O-CB 3.32Å; F410-Y413 PolarHBondContact O-N 2.79Å; F410-Y413 VanDerWaalsContact O-N 3.09Å; F410-L414 HydrophobicContact CD1-CD1 3.94Å; F410-L414 HydrophobicContact CD1-CG 4.05Å; F410-L414 HydrophobicContact CE1-CD1 3.83Å; F410-L414 HydrophobicContact CE1-CD2 4.03Å; F410-L414 HydrophobicContact CE1-CG 3.88Å; F410-L414 HydrophobicContact CZ-CD2 4.3Å; F410-L414 HydrophobicContact CZ-CG 4.49Å; F410-L414 PolarHBondContact O-N 2.86Å
411S93.8Very high95.6Very high32 Ų3253.8 Ų53.822%0.22428%0.279CS..Hα-helixtrans-55.4-46.3169.850.50000111.5P409 Y413 L414 E415P409-S411 VanDerWaalsContact C-N 3.28Å; P409-S411 PolarHBondContact O-N 3.15Å; S411-Y413 VanDerWaalsContact C-N 3.31Å; S411-Y413 PolarHBondContact O-N 2.84Å; S411-L414 PolarHBondContact O-N 2.87Å; S411-E415 WeakPolarHBondContact O-CB 3.09Å; S411-E415 VanDerWaalsContact O-CG 3.31Å; S411-E415 WeakPolarHBondContact O-CG 3.44Å; S411-E415 PolarHBondContact O-N 2.89Å
412W96.8Very high94.6Very high61 Ų6153.2 Ų53.223%0.23128%0.276CS..Hα-helixtrans-60.1-41.1174.5175.591.6000111.7W327 K408 P409 F410 E415 N416 I417W327-W412 WeakPolarHBondContact O-CZ3 3.24Å; K408-W412 HydrophobicContact CB-CB 4.17Å; K408-W412 HydrophobicContact CB-CD2 3.83Å; K408-W412 HydrophobicContact CB-CE3 3.7Å; K408-W412 HydrophobicContact CB-CG 4.01Å; K408-W412 HydrophobicContact CB-CZ3 4.41Å; K408-W412 HydrophobicContact CD-CD2 3.22Å; K408-W412 HydrophobicContact CD-CE3 3.5Å; K408-W412 VanDerWaalsContact CD-CE3 3.5Å; K408-W412 HydrophobicContact CD-CG 3.79Å; K408-W412 HydrophobicContact CD-CH2 3.74Å; K408-W412 HydrophobicContact CD-CZ2 3.48Å; K408-W412 VanDerWaalsContact CD-CZ2 3.48Å; K408-W412 HydrophobicContact CD-CZ3 3.74Å; K408-W412 HydrophobicContact CG-CD2 4.16Å; K408-W412 HydrophobicContact CG-CE3 4.23Å; K408-W412 HydrophobicContact CG-CG 4.47Å; P409-W412 HydrophobicContact CG-CB 4.07Å; P409-W412 WeakPolarHBondContact O-CB 3.26Å; P409-W412 PolarHBondContact O-N 2.87Å; P409-W412 VanDerWaalsContact O-N 3.15Å; F410-W412 VanDerWaalsContact C-N 3.31Å; F410-W412 PolarHBondContact O-N 3.33Å; W412-E415 PolarHBondContact O-N 3.24Å; W412-N416 HydrophobicContact CD2-CB 4.22Å; W412-N416 HydrophobicContact CH2-CB 4.48Å; W412-N416 HydrophobicContact CZ2-CB 3.91Å; W412-N416 PolarHBondContact NE1-ND2 3.06Å; W412-N416 VanDerWaalsContact O-CB 3.31Å; W412-N416 WeakPolarHBondContact O-CB 3.33Å; W412-N416 PolarHBondContact O-N 2.79Å; W412-N416 PolarHBondContact O-ND2 3.4Å; W412-I417 HydrophobicContact CH2-CD1 3.82Å; W412-I417 HydrophobicContact CH2-CG1 3.97Å; W412-I417 HydrophobicContact CZ3-CD1 4.19Å; W412-I417 HydrophobicContact CZ3-CG1 3.81Å
413Y97.6Very high93.7Very high0 Ų052.1 Ų52.10%027%0.272CS..Hα-helixtrans-61.4-47.6177.4169-91.8000111.7F258 P288 F324 W327 P409 F410 S411 E415 I417 Y418F258-Y413 AromaticContact CE1-CE1 3.95Å; F258-Y413 HydrophobicContact CE1-CE1 3.95Å; F258-Y413 HydrophobicContact CZ-CE1 4.32Å; P288-Y413 WeakPolarHBondContact CB-OH 3.18Å; P288-Y413 PolarHBondContact O-OH 2.81Å; F324-Y413 HydrophobicContact CD1-CE1 4.06Å; F324-Y413 HydrophobicContact CD1-CE2 4.26Å; F324-Y413 AromaticContact CD1-CZ 3.79Å; F324-Y413 AromaticContact CE1-CE1 3.99Å; F324-Y413 HydrophobicContact CE1-CE1 3.99Å; F324-Y413 AromaticContact CE1-CZ 3.95Å; W327-Y413 HydrophobicContact CB-CD2 3.72Å; W327-Y413 HydrophobicContact CB-CE2 3.9Å; W327-Y413 AromaticContact CD1-CE2 3.73Å; W327-Y413 HydrophobicContact CG-CD2 4.24Å; W327-Y413 AromaticContact CG-CE2 4Å; W327-Y413 HydrophobicContact CG-CE2 4Å; P409-Y413 PolarHBondContact O-N 3.24Å; F410-Y413 AromaticContact CD2-CD1 3.96Å; F410-Y413 HydrophobicContact CD2-CD1 3.96Å; F410-Y413 HydrophobicContact CD2-CG 4.37Å; F410-Y413 AromaticContact CE2-CD1 3.61Å; F410-Y413 HydrophobicContact CE2-CD1 3.61Å; F410-Y413 AromaticContact CE2-CE1 3.97Å; F410-Y413 HydrophobicContact CE2-CE1 3.97Å; F410-Y413 HydrophobicContact CE2-CG 4.37Å; F410-Y413 HydrophobicContact CZ-CD1 4.09Å; F410-Y413 HydrophobicContact CZ-CE1 4.28Å; F410-Y413 WeakPolarHBondContact O-CB 3.32Å; F410-Y413 PolarHBondContact O-N 2.79Å; F410-Y413 VanDerWaalsContact O-N 3.09Å; S411-Y413 VanDerWaalsContact C-N 3.31Å; S411-Y413 PolarHBondContact O-N 2.84Å; Y413-E415 VanDerWaalsContact C-N 3.28Å; Y413-E415 PolarHBondContact O-N 3Å; Y413-I417 HydrophobicContact CD2-CB 3.81Å; Y413-I417 HydrophobicContact CD2-CG1 3.98Å; Y413-I417 HydrophobicContact CD2-CG2 4.06Å; Y413-I417 HydrophobicContact CE2-CB 3.95Å; Y413-I417 HydrophobicContact CE2-CG1 4.48Å; Y413-I417 HydrophobicContact CE2-CG2 3.7Å; Y413-I417 HydrophobicContact CG-CB 4.44Å; Y413-I417 WeakPolarHBondContact O-CA 3.35Å; Y413-I417 VanDerWaalsContact O-CB 3.3Å; Y413-I417 WeakPolarHBondContact O-CB 3.33Å; Y413-I417 PolarHBondContact O-N 2.68Å; Y413-Y418 PolarHBondContact O-N 2.79Å
414L93.9Very high92.6Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-64.6-31.8176.6-67.6178.8000112.3F376 F410 S411 Y418 P419 I423 R425F376-L414 HydrophobicContact CD1-CD1 3.65Å; F376-L414 HydrophobicContact CE1-CD1 3.55Å; F376-L414 HydrophobicContact CE2-CD1 4.48Å; F376-L414 HydrophobicContact CG-CD1 4.17Å; F376-L414 HydrophobicContact CZ-CD1 3.99Å; F410-L414 HydrophobicContact CD1-CD1 3.94Å; F410-L414 HydrophobicContact CD1-CG 4.05Å; F410-L414 HydrophobicContact CE1-CD1 3.83Å; F410-L414 HydrophobicContact CE1-CD2 4.03Å; F410-L414 HydrophobicContact CE1-CG 3.88Å; F410-L414 HydrophobicContact CZ-CD2 4.3Å; F410-L414 HydrophobicContact CZ-CG 4.49Å; F410-L414 PolarHBondContact O-N 2.86Å; S411-L414 PolarHBondContact O-N 2.87Å; L414-Y418 CarbonylContact O-C 3.49Å; L414-Y418 VanDerWaalsContact O-O 3.08Å; L414-P419 WeakPolarHBondContact O-CA 3.49Å; L414-I423 HydrophobicContact CD1-CG2 4.15Å; L414-R425 HydrophobicContact CB-CG 4.24Å
415E92.4Very high91.6Very high109 Ų10947.1 Ų47.151%0.50923%0.23SC..Hα-helixtrans-79.1-39.2179.6-73.6172.8-179.700113.7S411 W412 Y413S411-E415 WeakPolarHBondContact O-CB 3.09Å; S411-E415 VanDerWaalsContact O-CG 3.31Å; S411-E415 WeakPolarHBondContact O-CG 3.44Å; S411-E415 PolarHBondContact O-N 2.89Å; W412-E415 PolarHBondContact O-N 3.24Å; Y413-E415 VanDerWaalsContact C-N 3.28Å; Y413-E415 PolarHBondContact O-N 3Å
416N95.1Very high90.7Very high83 Ų8351.9 Ų51.944%0.44424%0.244SC..Hα-helixtrans-104.7-31.3-167-66.4-95.8000112.7W412W412-N416 HydrophobicContact CD2-CB 4.22Å; W412-N416 HydrophobicContact CH2-CB 4.48Å; W412-N416 HydrophobicContact CZ2-CB 3.91Å; W412-N416 PolarHBondContact NE1-ND2 3.06Å; W412-N416 VanDerWaalsContact O-CB 3.31Å; W412-N416 WeakPolarHBondContact O-CB 3.33Å; W412-N416 PolarHBondContact O-N 2.79Å; W412-N416 PolarHBondContact O-ND2 3.4Å
417I96.6Very high90.1Very high20 Ų2046.6 Ų46.610%0.10322%0.22CC..THydrogen-bonded Turntrans-104.4-45.6-174.8-53.9-50.6000110.7R272 P288 W327 W412 Y413 P419R272-I417 PolarHBondContact NH2-O 3.26Å; P288-I417 HydrophobicContact CB-CG2 4.49Å; W327-I417 HydrophobicContact CB-CG1 4.16Å; W327-I417 HydrophobicContact CD2-CB 4.4Å; W327-I417 HydrophobicContact CD2-CD1 3.83Å; W327-I417 HydrophobicContact CD2-CG1 3.9Å; W327-I417 HydrophobicContact CD2-CG2 3.62Å; W327-I417 HydrophobicContact CE3-CD1 3.33Å; W327-I417 HydrophobicContact CE3-CG1 3.89Å; W327-I417 HydrophobicContact CE3-CG2 4.29Å; W327-I417 HydrophobicContact CG-CB 4.47Å; W327-I417 HydrophobicContact CG-CD1 4.5Å; W327-I417 HydrophobicContact CG-CG1 4.07Å; W327-I417 HydrophobicContact CG-CG2 3.74Å; W327-I417 HydrophobicContact CH2-CD1 4.3Å; W327-I417 HydrophobicContact CZ2-CG2 4.1Å; W327-I417 HydrophobicContact CZ3-CD1 3.61Å; W412-I417 HydrophobicContact CH2-CD1 3.82Å; W412-I417 HydrophobicContact CH2-CG1 3.97Å; W412-I417 HydrophobicContact CZ3-CD1 4.19Å; W412-I417 HydrophobicContact CZ3-CG1 3.81Å; Y413-I417 HydrophobicContact CD2-CB 3.81Å; Y413-I417 HydrophobicContact CD2-CG1 3.98Å; Y413-I417 HydrophobicContact CD2-CG2 4.06Å; Y413-I417 HydrophobicContact CE2-CB 3.95Å; Y413-I417 HydrophobicContact CE2-CG1 4.48Å; Y413-I417 HydrophobicContact CE2-CG2 3.7Å; Y413-I417 HydrophobicContact CG-CB 4.44Å; Y413-I417 WeakPolarHBondContact O-CA 3.35Å; Y413-I417 VanDerWaalsContact O-CB 3.3Å; Y413-I417 WeakPolarHBondContact O-CB 3.33Å; Y413-I417 PolarHBondContact O-N 2.68Å; I417-P419 WeakPolarHBondContact O-CD 3.4Å
418Y94.9Very high89.6Confident2 Ų246.4 Ų46.41%0.00822%0.216CC..  trans-125.755.4-177.3-158.8-164.5000114.7Y255 G257 F258 Y267 P288 Y413 L414 D420 S421Y255-Y418 WeakPolarHBondContact OH-CE2 3.49Å; G257-Y418 WeakPolarHBondContact CA-OH 3.17Å; F258-Y418 HydrophobicContact CD1-CD1 4.06Å; F258-Y418 AromaticContact CD1-CE1 3.79Å; F258-Y418 HydrophobicContact CD1-CE1 3.79Å; F258-Y418 AromaticContact CE1-CD1 3.61Å; F258-Y418 HydrophobicContact CE1-CD1 3.61Å; F258-Y418 AromaticContact CE1-CE1 3.78Å; F258-Y418 HydrophobicContact CE1-CE1 3.78Å; F258-Y418 HydrophobicContact CZ-CD1 4.41Å; Y267-Y418 WeakPolarHBondContact CD2-OH 3.39Å; Y267-Y418 WeakPolarHBondContact CE2-OH 3.32Å; P288-Y418 HydrophobicContact CB-CD1 3.9Å; P288-Y418 HydrophobicContact CB-CD2 4.09Å; P288-Y418 HydrophobicContact CB-CE1 4.43Å; P288-Y418 HydrophobicContact CB-CG 3.69Å; P288-Y418 HydrophobicContact CG-CD1 4.22Å; P288-Y418 HydrophobicContact CG-CD2 3.47Å; P288-Y418 VanDerWaalsContact CG-CD2 3.47Å; P288-Y418 HydrophobicContact CG-CE2 4.01Å; P288-Y418 HydrophobicContact CG-CG 3.59Å; Y413-Y418 PolarHBondContact O-N 2.79Å; L414-Y418 CarbonylContact O-C 3.49Å; L414-Y418 VanDerWaalsContact O-O 3.08Å; Y418-D420 PolarHBondContact O-N 2.84Å; Y418-S421 WeakPolarHBondContact O-CB 3.44Å; Y418-S421 PolarHBondContact O-N 3.42Å
419P90.3Very high89.2Confident34 Ų3442.1 Ų42.122%0.22120%0.198CC..THydrogen-bonded Turntrans-62.7-22.3178.926.2-36.1000114L414 I417 S421 R425L414-P419 WeakPolarHBondContact O-CA 3.49Å; I417-P419 WeakPolarHBondContact O-CD 3.4Å; P419-S421 VanDerWaalsContact C-N 3.26Å; P419-R425 PolarHBondContact O-NH2 3.43Å
420D86.8Confident88.7Confident60 Ų6039.8 Ų39.832%0.32118%0.182SC..THydrogen-bonded Turntrans-86.25.5176.8-37.9-84.4000112.6R272 Y418 Q422R272-D420 IonicContact CZ-OD2 3.9Å; R272-D420 VanDerWaalsContact CZ-OD2 3.25Å; R272-D420 IonicContact NE-OD1 2.61Å; R272-D420 IonicContact NE-OD2 3.08Å; R272-D420 PolarHBondContact NE-OD2 3.45Å; R272-D420 IonicContact NH2-OD2 2.78Å; R272-D420 PolarHBondContact NH2-OD2 3.4Å; Y418-D420 PolarHBondContact O-N 2.84Å; D420-Q422 PolarHBondContact O-NE2 3.26Å
421S86.1Confident88.4Confident10 Ų1040 Ų407%0.0718%0.184CC..  trans-58142.3175.3-175.50000110.6Y418 P419 I423Y418-S421 WeakPolarHBondContact O-CB 3.44Å; Y418-S421 PolarHBondContact O-N 3.42Å; P419-S421 VanDerWaalsContact C-N 3.26Å; S421-I423 PolarHBondContact O-N 2.93Å; S421-I423 PolarHBondContact OG-N 3.49Å; S421-I423 VanDerWaalsContact OG-N 3.16Å
422Q77Confident88.4Confident22 Ų2240 Ų4010%0.10318%0.181CC..SBendtrans-71-17.3172.7-61.1-55.2-56.800112W260 D420 D479W260-Q422 WeakPolarHBondContact CZ2-O 3.34Å; W260-Q422 PolarHBondContact NE1-O 3.48Å; D420-Q422 PolarHBondContact O-NE2 3.26Å; Q422-D479 HydrophobicContact CG-CB 4.4Å; Q422-D479 VanDerWaalsContact CG-OD1 3.32Å; Q422-D479 WeakPolarHBondContact CG-OD1 3.24Å
423I81.1Confident88.4Confident11 Ų1137.2 Ų37.26%0.05617%0.17CC..SBendtrans-63.1122.2178-65.8179.1000108.8F258 W260 F376 L414 S421 R425F258-I423 HydrophobicContact CD2-CD1 4.32Å; F258-I423 HydrophobicContact CE2-CD1 3.41Å; F258-I423 VanDerWaalsContact CE2-CD1 3.41Å; F258-I423 HydrophobicContact CZ-CD1 3.93Å; W260-I423 HydrophobicContact CG-CG1 4.3Å; F376-I423 HydrophobicContact CD1-CG2 4.26Å; L414-I423 HydrophobicContact CD1-CG2 4.15Å; S421-I423 PolarHBondContact O-N 2.93Å; S421-I423 PolarHBondContact OG-N 3.49Å; S421-I423 VanDerWaalsContact OG-N 3.16Å; I423-R425 PolarHBondContact O-N 2.82Å
424P75.4Confident88.3Confident3 Ų341 Ų412%0.01919%0.185CC..  trans-72.1109.8-174.229.3-34000109.7W260 F379 R426 Y427 T470W260-P424 HydrophobicContact CH2-CG 4.37Å; W260-P424 HydrophobicContact CZ2-CG 4.17Å; F379-P424 HydrophobicContact CE1-CG 4.2Å; P424-R426 VanDerWaalsContact C-N 3.28Å; P424-R426 PolarHBondContact O-N 3.46Å; P424-Y427 HydrophobicContact CB-CD1 4.43Å; P424-Y427 HydrophobicContact CG-CD1 4.44Å; P424-T470 HydrophobicContact CB-CG2 3.85Å
425R76.8Confident88.5Confident119 Ų11941 Ų4145%0.44919%0.185SC..SBendtrans-66.3-31.9174.1-68-177.8-74.1160.9-7.6112.6L414 P419 I423L414-R425 HydrophobicContact CB-CG 4.24Å; P419-R425 PolarHBondContact O-NH2 3.43Å; I423-R425 PolarHBondContact O-N 2.82Å
426R80.4Confident88.6Confident163 Ų16339 Ų3962%0.61518%0.18SC*.SBendtrans-137.6121.3-180-61-178.5-62.3174.42.9109.1P424 A471P424-R426 VanDerWaalsContact C-N 3.28Å; P424-R426 PolarHBondContact O-N 3.46Å; R426-A471 HydrophobicContact CB-CB 3.62Å; R426-A471 PolarHBondContact O-N 3.13Å
427Y84.7Confident88.7Confident76 Ų7641 Ų4130%0.29819%0.186SC..EExtended strand (participates in β ladder)trans-145150.6-178.561-74.3000109.4F379 P424 S429 L430 Y469F379-Y427 AromaticContact CE1-CD1 3.92Å; F379-Y427 HydrophobicContact CE1-CD1 3.92Å; F379-Y427 AromaticContact CE1-CE1 3.44Å; F379-Y427 HydrophobicContact CE1-CE1 3.44Å; F379-Y427 VanDerWaalsContact CE1-CE1 3.44Å; F379-Y427 HydrophobicContact CE1-CE2 4.21Å; F379-Y427 AromaticContact CE1-CZ 3.53Å; F379-Y427 HydrophobicContact CE2-CE1 4.43Å; F379-Y427 HydrophobicContact CZ-CD1 4.05Å; F379-Y427 AromaticContact CZ-CE1 3.18Å; F379-Y427 HydrophobicContact CZ-CE1 3.18Å; F379-Y427 HydrophobicContact CZ-CE2 4.41Å; F379-Y427 AromaticContact CZ-CZ 3.35Å; F379-Y427 WeakPolarHBondContact CZ-OH 3.26Å; P424-Y427 HydrophobicContact CB-CD1 4.43Å; P424-Y427 HydrophobicContact CG-CD1 4.44Å; Y427-S429 WeakPolarHBondContact CD2-O 3.45Å; Y427-L430 HydrophobicContact CD2-CB 3.78Å; Y427-L430 HydrophobicContact CE2-CB 3.56Å; Y427-Y469 CarbonylContact C-O 3.56Å; Y427-Y469 WeakPolarHBondContact CA-O 3.46Å; Y427-Y469 WeakPolarHBondContact CB-O 3.38Å
428F88.9Confident88.6Confident17 Ų1742 Ų428%0.07519%0.194CC..EExtended strand (participates in β ladder)trans-87.2-30.8174.3-60-77.2000111.3Y469 T470 K473 Y553 T554 L556F428-Y469 HydrophobicContact CB-CD1 3.78Å; F428-Y469 HydrophobicContact CB-CE1 4.3Å; F428-Y469 AromaticContact CD2-CD1 3.61Å; F428-Y469 HydrophobicContact CD2-CD1 3.61Å; F428-Y469 AromaticContact CD2-CE1 3.48Å; F428-Y469 HydrophobicContact CD2-CE1 3.48Å; F428-Y469 VanDerWaalsContact CD2-CE1 3.48Å; F428-Y469 HydrophobicContact CD2-CG 4.41Å; F428-Y469 HydrophobicContact CE2-CE1 4.07Å; F428-Y469 HydrophobicContact CG-CD1 4.07Å; F428-Y469 HydrophobicContact CG-CE1 4.14Å; F428-Y469 PolarHBondContact N-O 3.49Å; F428-T470 WeakPolarHBondContact CD2-O 3.32Å; F428-T470 VanDerWaalsContact CE2-O 3.31Å; F428-T470 WeakPolarHBondContact CE2-O 3.29Å; F428-K473 HydrophobicContact CE2-CD 4.1Å; F428-Y553 HydrophobicContact CB-CD2 3.92Å; F428-Y553 HydrophobicContact CB-CE2 3.61Å; F428-Y553 HydrophobicContact CG-CE2 4.22Å; F428-Y553 CarbonylContact O-C 3.56Å; F428-Y553 WeakPolarHBondContact O-CA 3.43Å; F428-T554 WeakPolarHBondContact CD1-O 3.44Å; F428-T554 PolarHBondContact O-N 2.98Å; F428-T554 PolarHBondContact O-OG1 2.9Å; F428-L556 HydrophobicContact CD1-CB 4.18Å; F428-L556 HydrophobicContact CD1-CD1 3.81Å; F428-L556 HydrophobicContact CD1-CG 3.65Å; F428-L556 HydrophobicContact CE1-CB 3.67Å; F428-L556 HydrophobicContact CE1-CD1 3.18Å; F428-L556 HydrophobicContact CE1-CG 3.37Å; F428-L556 HydrophobicContact CE2-CD1 4.12Å; F428-L556 HydrophobicContact CZ-CD1 3.35Å; F428-L556 HydrophobicContact CZ-CG 4.1Å
429S90Very high88.6Confident1 Ų146.3 Ų46.31%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-150.3144.7-177.8170.30000110.7Y427 S468 Y469 H551Y427-S429 WeakPolarHBondContact CD2-O 3.45Å; S429-S468 CarbonylContact O-C 3.58Å; S429-S468 WeakPolarHBondContact O-CA 3.17Å; S429-Y469 PolarHBondContact N-O 2.95Å; S429-Y469 PolarHBondContact O-N 3.43Å; S429-H551 WeakPolarHBondContact CB-O 3.45Å; S429-H551 PolarHBondContact OG-O 2.96Å
430L88.3Confident88.9Confident12 Ų1246.7 Ų46.76%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-137.4123.9171.6177.976.2000108.7F379 I382 Y427 V466 F467 H551F379-L430 HydrophobicContact CB-CD2 4.38Å; F379-L430 HydrophobicContact CD1-CD1 4.05Å; F379-L430 HydrophobicContact CD1-CD2 3.23Å; F379-L430 HydrophobicContact CD1-CG 4.23Å; F379-L430 HydrophobicContact CE1-CD1 4.45Å; F379-L430 HydrophobicContact CE1-CD2 3.6Å; F379-L430 HydrophobicContact CE1-CG 4.49Å; F379-L430 HydrophobicContact CG-CD2 3.87Å; F379-L430 HydrophobicContact CZ-CD2 4.5Å; I382-L430 HydrophobicContact CD1-CD2 3.92Å; Y427-L430 HydrophobicContact CD2-CB 3.78Å; Y427-L430 HydrophobicContact CE2-CB 3.56Å; L430-V466 HydrophobicContact CD1-CG1 4.07Å; L430-F467 WeakPolarHBondContact CA-O 3.32Å; L430-H551 PolarHBondContact O-CD2 3.35Å
431G89.3Confident89.4Confident5 Ų543.9 Ų43.95%0.05220%0.2CC..EExtended strand (participates in β ladder)trans138.2-146.4177.700000111.2Q465 F467G431-Q465 CarbonylContact C-O 3.59Å; G431-F467 PolarHBondContact N-O 3.07Å; G431-F467 PolarHBondContact O-N 3.29Å; G431-F467 VanDerWaalsContact O-O 3.12Å
432E93.3Very high89.9Confident33 Ų3343.5 Ų43.515%0.15420%0.198CC..  trans-74.2145179.761178.2-145.500112.7R434 C441 Q465 H551E432-R434 IonicContact OE1-CZ 3.48Å; E432-R434 IonicContact OE1-NE 2.56Å; E432-R434 PolarHBondContact OE1-NE 3.35Å; E432-R434 IonicContact OE1-NH2 3.38Å; E432-R434 PolarHBondContact OE1-NH2 2.76Å; E432-C441 HydrophobicContact CB-CB 4.45Å; E432-Q465 WeakPolarHBondContact CA-O 3.25Å; E432-H551 HydrophobicContact CG-CB 4.04Å; E432-H551 WeakPolarHBondContact O-CB 3.44Å; E432-H551 PolarHBondContact O-N 3.36Å; E432-H551 VanDerWaalsContact O-N 3.07Å
433I96.8Very high90.8Very high2 Ų242.7 Ų42.71%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-114.1106.5170.7-60.2175.3000106.5C441 V442 F467 I475 F514 W548 L550I433-C441 CarbonylContact O-C 3.46Å; I433-C441 VanDerWaalsContact O-CA 3.25Å; I433-C441 WeakPolarHBondContact O-CA 3.41Å; I433-V442 HydrophobicContact CB-CB 4.26Å; I433-V442 HydrophobicContact CB-CG2 3.93Å; I433-V442 HydrophobicContact CG2-CG2 3.89Å; I433-V442 PolarHBondContact O-N 2.8Å; I433-F467 HydrophobicContact CD1-CB 3.67Å; I433-F467 HydrophobicContact CD1-CG 4.29Å; I433-F467 HydrophobicContact CG1-CB 4.21Å; I433-I475 HydrophobicContact CD1-CG2 3.63Å; I433-F514 HydrophobicContact CG2-CE2 4.01Å; I433-W548 HydrophobicContact CG2-CB 4.14Å; I433-W548 HydrophobicContact CG2-CD2 4.41Å; I433-W548 HydrophobicContact CG2-CE3 3.9Å; I433-L550 HydrophobicContact CG2-CD1 4.18Å
434R97.2Very high91.4Very high79 Ų7943 Ų4330%0.29820%0.196SC..EExtended strand (participates in β ladder)trans-103.8129.2-169.1179.3-175.7-62.3-1608.9111.4E432 N439 W548 I549E432-R434 IonicContact OE1-CZ 3.48Å; E432-R434 IonicContact OE1-NE 2.56Å; E432-R434 PolarHBondContact OE1-NE 3.35Å; E432-R434 IonicContact OE1-NH2 3.38Å; E432-R434 PolarHBondContact OE1-NH2 2.76Å; R434-N439 WeakPolarHBondContact CD-OD1 3.39Å; R434-N439 PolarHBondContact NH1-OD1 2.79Å; R434-N439 VanDerWaalsContact NH1-OD1 3.15Å; R434-W548 CarbonylContact O-C 3.51Å; R434-W548 VanDerWaalsContact O-CA 3.27Å; R434-W548 WeakPolarHBondContact O-CA 3.47Å; R434-I549 HydrophobicContact CB-CB 4.45Å; R434-I549 PolarHBondContact N-O 3.06Å; R434-I549 PolarHBondContact O-N 3.05Å
435N97.4Very high92.3Very high0 Ų046.4 Ų46.40%021%0.213CC..EExtended strand (participates in β ladder)trans-75136.7170.8-170.4-97.6000111.2E437 T438 N439 Q440 I525 L545 A547 W548N435-E437 PolarHBondContact OD1-N 2.8Å; N435-T438 WeakPolarHBondContact CB-OG1 3.47Å; N435-T438 PolarHBondContact OD1-N 3.48Å; N435-T438 VanDerWaalsContact OD1-N 3.14Å; N435-T438 PolarHBondContact OD1-OG1 3.41Å; N435-N439 VanDerWaalsContact O-CA 3.32Å; N435-N439 WeakPolarHBondContact O-CA 3.49Å; N435-N439 PolarHBondContact O-N 2.77Å; N435-N439 VanDerWaalsContact O-N 3.11Å; N435-Q440 WeakPolarHBondContact CB-O 3.44Å; N435-Q440 PolarHBondContact N-O 3.33Å; N435-I525 HydrophobicContact CB-CD1 3.72Å; N435-L545 PolarHBondContact ND2-O 2.8Å; N435-A547 PolarHBondContact ND2-O 3.19Å; N435-W548 HydrophobicContact CB-CE3 3.85Å; N435-W548 HydrophobicContact CB-CH2 4.09Å; N435-W548 HydrophobicContact CB-CZ3 3.62Å
436V95.2Very high92.9Very high67 Ų6743.3 Ų43.341%0.40622%0.217SC..THydrogen-bonded Turntrans-69.4-43.9-176.21740000112.3A547 I549V436-A547 HydrophobicContact CB-CB 3.95Å; V436-A547 HydrophobicContact CG2-CB 3.64Å; V436-A547 PolarHBondContact N-O 3.34Å; V436-I549 HydrophobicContact CG2-CD1 3.93Å; V436-I549 HydrophobicContact CG2-CG1 3.85Å
437E95.9Very high93.5Very high124 Ų12440.2 Ų40.258%0.57921%0.206SC*.THydrogen-bonded Turntrans-73.5-48.6-175.2-17662-164.100112.2N435 P544 L545N435-E437 PolarHBondContact OD1-N 2.8Å; E437-P544 HydrophobicContact CB-CB 3.87Å; E437-P544 HydrophobicContact CG-CB 4.36Å; E437-P544 VanDerWaalsContact OE2-CB 3.25Å; E437-P544 WeakPolarHBondContact OE2-CB 2.99Å; E437-L545 HydrophobicContact CB-CD2 3.85Å; E437-L545 HydrophobicContact CB-CG 4.17Å; E437-L545 HydrophobicContact CG-CD2 3.86Å; E437-L545 HydrophobicContact CG-CG 4.12Å
438T94.9Very high93.8Very high43 Ų4344.3 Ų44.326%0.26423%0.225SC..THydrogen-bonded Turntrans-86.2-16-173.865.40000113.1N435 Q440 I525 L545N435-T438 WeakPolarHBondContact CB-OG1 3.47Å; N435-T438 PolarHBondContact OD1-N 3.48Å; N435-T438 VanDerWaalsContact OD1-N 3.14Å; N435-T438 PolarHBondContact OD1-OG1 3.41Å; T438-Q440 PolarHBondContact O-N 2.86Å; T438-Q440 WeakPolarHBondContact OG1-CB 3.34Å; T438-Q440 PolarHBondContact OG1-N 2.76Å; T438-I525 HydrophobicContact CG2-CD1 4.1Å; T438-L545 HydrophobicContact CG2-CD2 3.81Å
439N95.2Very high94Very high92 Ų9247.8 Ų47.849%0.49224%0.241SC..  trans53.628.6-169.4-16749000112.8R434 N435 C458R434-N439 WeakPolarHBondContact CD-OD1 3.39Å; R434-N439 PolarHBondContact NH1-OD1 2.79Å; R434-N439 VanDerWaalsContact NH1-OD1 3.15Å; N435-N439 VanDerWaalsContact O-CA 3.32Å; N435-N439 WeakPolarHBondContact O-CA 3.49Å; N435-N439 PolarHBondContact O-N 2.77Å; N435-N439 VanDerWaalsContact O-N 3.11Å; N439-C458 PolarHBondContact O-SG 2.9Å; N439-C458 VanDerWaalsContact O-SG 3.41Å
440Q96.6Very high94.2Very high42 Ų4252.3 Ų52.320%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-107.4151175.8-67.2178-60.600110.4N435 T438 F455 F456 N457N435-Q440 WeakPolarHBondContact CB-O 3.44Å; N435-Q440 PolarHBondContact N-O 3.33Å; T438-Q440 PolarHBondContact O-N 2.86Å; T438-Q440 WeakPolarHBondContact OG1-CB 3.34Å; T438-Q440 PolarHBondContact OG1-N 2.76Å; Q440-F455 HydrophobicContact CB-CD2 3.93Å; Q440-F455 HydrophobicContact CG-CD2 4.42Å; Q440-F456 CarbonylContact C-O 3.58Å; Q440-F456 WeakPolarHBondContact CA-O 3.5Å; Q440-F456 VanDerWaalsContact CB-O 3.3Å; Q440-F456 WeakPolarHBondContact CB-O 3.38Å; Q440-N457 PolarHBondContact NE2-OD1 2.98Å; Q440-N457 VanDerWaalsContact NE2-OD1 3.07Å
441C96.9Very high94.5Very high0 Ų055.9 Ų55.90%028%0.282CS..EExtended strand (participates in β ladder)trans-104.2147.5-175-75.60000110.5E432 I433 D443 F455 F456 C458 Q465E432-C441 HydrophobicContact CB-CB 4.45Å; I433-C441 CarbonylContact O-C 3.46Å; I433-C441 VanDerWaalsContact O-CA 3.25Å; I433-C441 WeakPolarHBondContact O-CA 3.41Å; C441-D443 PolarHBondContact O-N 2.79Å; C441-F455 CarbonylContact O-C 3.59Å; C441-F455 WeakPolarHBondContact O-CA 3.38Å; C441-F456 PolarHBondContact N-O 3.4Å; C441-F456 PolarHBondContact O-N 3.15Å; C441-C458 VanDerWaalsContact CA-SG 3.59Å; C441-C458 HydrophobicContact CB-CB 4.03Å; C441-C458 WeakPolarHBondContact CB-SG 3.35Å; C441-C458 PolarHBondContact N-SG 3.19Å; C441-C458 WeakPolarHBondContact SG-CB 2.86Å; C441-C458 CovalentContact SG-SG 2.04Å; C441-C458 PolarHBondContact SG-SG 3.3Å; C441-Q465 HydrophobicContact CB-CG 4.46Å
442V96.9Very high94.7Very high3 Ų358.3 Ų58.32%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-56.7132.2167.1-176.70000108.3I433 V453 F467 W548I433-V442 HydrophobicContact CB-CB 4.26Å; I433-V442 HydrophobicContact CB-CG2 3.93Å; I433-V442 HydrophobicContact CG2-CG2 3.89Å; I433-V442 PolarHBondContact O-N 2.8Å; V442-V453 HydrophobicContact CG1-CG2 3.51Å; V442-F467 HydrophobicContact CB-CD2 4.38Å; V442-F467 HydrophobicContact CB-CE2 4.14Å; V442-F467 HydrophobicContact CB-CZ 4.5Å; V442-F467 HydrophobicContact CG1-CD2 4.24Å; V442-F467 HydrophobicContact CG1-CE1 4.01Å; V442-F467 HydrophobicContact CG1-CE2 3.74Å; V442-F467 HydrophobicContact CG1-CZ 3.61Å; V442-F467 WeakPolarHBondContact O-CE2 3.14Å; V442-W548 HydrophobicContact CG2-CE3 4.12Å; V442-W548 HydrophobicContact CG2-CH2 4.21Å; V442-W548 HydrophobicContact CG2-CZ3 3.6Å
443D95.9Very high94.8Very high5 Ų556.9 Ų56.93%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-139.4128.6-173-162.9-55.1000109.3C441 M445 G454 F456 N464 Q465C441-D443 PolarHBondContact O-N 2.79Å; D443-M445 HydrophobicContact CB-CG 4.4Å; D443-M445 HydrophobicContact CB-SD 3.87Å; D443-M445 PolarHBondContact O-N 3.23Å; D443-M445 VanDerWaalsContact OD1-CA 3.24Å; D443-M445 WeakPolarHBondContact OD1-CA 3.38Å; D443-M445 PolarHBondContact OD1-N 2.93Å; D443-G454 PolarHBondContact N-O 2.99Å; D443-G454 CarbonylContact O-C 3.52Å; D443-G454 VanDerWaalsContact O-CA 3.27Å; D443-G454 WeakPolarHBondContact O-CA 3.44Å; D443-G454 PolarHBondContact O-N 3.28Å; D443-F456 HydrophobicContact CB-CB 3.94Å; D443-N464 WeakPolarHBondContact OD1-CB 3.35Å; D443-Q465 HydrophobicContact CB-CG 4.13Å; D443-Q465 WeakPolarHBondContact OD2-CG 3.38Å; D443-Q465 PolarHBondContact OD2-NE2 3Å
444N94.3Very high94.8Very high17 Ų1757.1 Ų57.19%0.09129%0.287CS..  trans-74-8.9176.772.322.3000112.7G446 R447 N464 F467 T477 M493N444-G446 PolarHBondContact O-N 2.95Å; N444-G446 PolarHBondContact OD1-N 2.76Å; N444-R447 WeakPolarHBondContact O-CB 3.27Å; N444-R447 PolarHBondContact O-N 2.81Å; N444-N464 PolarHBondContact N-O 3.38Å; N444-N464 WeakPolarHBondContact OD1-CA 3.45Å; N444-N464 WeakPolarHBondContact OD1-CB 3.27Å; N444-N464 PolarHBondContact OD1-OD1 3.38Å; N444-F467 HydrophobicContact CB-CZ 4.12Å; N444-T477 HydrophobicContact CB-CG2 4.26Å; N444-T477 PolarHBondContact ND2-OG1 3.24Å; N444-M493 HydrophobicContact CB-CE 4.06Å; N444-M493 HydrophobicContact CB-SD 3.55Å; N444-M493 VanDerWaalsContact CB-SD 3.55Å
445M92.9Very high94.6Very high75 Ų7555.3 Ų55.337%0.36928%0.282SS..THydrogen-bonded Turntrans56.518.4178.1-55.6-64.9-65.500114.1D443 R447 F456D443-M445 HydrophobicContact CB-CG 4.4Å; D443-M445 HydrophobicContact CB-SD 3.87Å; D443-M445 PolarHBondContact O-N 3.23Å; D443-M445 VanDerWaalsContact OD1-CA 3.24Å; D443-M445 WeakPolarHBondContact OD1-CA 3.38Å; D443-M445 PolarHBondContact OD1-N 2.93Å; M445-R447 HydrophobicContact CB-CG 3.93Å; M445-R447 PolarHBondContact O-N 3.28Å; M445-F456 HydrophobicContact CE-CD2 4.37Å; M445-F456 HydrophobicContact SD-CB 4.2Å
446G90.8Very high94.5Very high53 Ų5360.2 Ų60.255%0.54630%0.303SS..THydrogen-bonded Turntrans6515.3-16900000114N444 N464N444-G446 PolarHBondContact O-N 2.95Å; N444-G446 PolarHBondContact OD1-N 2.76Å; G446-N464 PolarHBondContact N-ND2 3.22Å
447R93.2Very high94.6Very high98 Ų9861.6 Ų61.637%0.3731%0.308SS..  trans-75.1160.5177.8-66169.8-176.7168.93111.1N444 M445 E451 K452 M493N444-R447 WeakPolarHBondContact O-CB 3.27Å; N444-R447 PolarHBondContact O-N 2.81Å; M445-R447 HydrophobicContact CB-CG 3.93Å; M445-R447 PolarHBondContact O-N 3.28Å; R447-E451 WeakPolarHBondContact CA-OE2 3.23Å; R447-E451 HydrophobicContact CB-CB 3.83Å; R447-E451 HydrophobicContact CB-CG 4.43Å; R447-E451 VanDerWaalsContact CB-OE2 3.28Å; R447-E451 WeakPolarHBondContact CB-OE2 3.34Å; R447-E451 HydrophobicContact CG-CB 4.38Å; R447-K452 WeakPolarHBondContact CD-O 3.4Å; R447-K452 PolarHBondContact NH1-O 3.03Å; R447-M493 HydrophobicContact CB-CE 3.72Å
448K90.9Very high94.5Very high162 Ų16257.2 Ų57.270%0.70429%0.291SS*.  trans-101.1-177.8-174.9-60-177.9-177.6177.50111.5E451K448-E451 PolarHBondContact N-OE2 3.43Å; K448-E451 WeakPolarHBondContact O-CB 3.22Å; K448-E451 PolarHBondContact O-N 3.01Å
449E92.8Very high94.4Very high90 Ų9058.6 Ų58.642%0.42130%0.295SS..THydrogen-bonded Turntrans-52.1142.3172.7-174.8177.8-170.800112E451 L480 M493 L494 K495E449-E451 PolarHBondContact O-N 3.35Å; E449-L480 HydrophobicContact CB-CD2 4.04Å; E449-L480 HydrophobicContact CG-CD2 4.23Å; E449-M493 CarbonylContact C-O 3.53Å; E449-M493 WeakPolarHBondContact CA-O 3.42Å; E449-L494 HydrophobicContact CG-CD2 4.42Å; E449-K495 WeakPolarHBondContact OE1-CD 3.5Å; E449-K495 WeakPolarHBondContact OE1-CG 3.29Å; E449-K495 WeakPolarHBondContact OE2-CE 3.32Å; E449-K495 IonicContact OE2-NZ 2.67Å
450N94Very high94.1Very high96 Ų9657.2 Ų57.251%0.51330%0.302SS..THydrogen-bonded Turntrans66.56.2-178.7-166.829.9000115.2K492 M493 L494N450-K492 PolarHBondContact OD1-NZ 3.26Å; N450-M493 PolarHBondContact N-O 2.89Å; N450-L494 HydrophobicContact CB-CD2 3.88Å
451E94.2Very high93.6Very high87 Ų8761.4 Ų61.441%0.40732%0.323SS..SBendtrans-89.8157.4169.9-59.1-165.7101.100111.4R447 K448 E449 K492 M493R447-E451 WeakPolarHBondContact CA-OE2 3.23Å; R447-E451 HydrophobicContact CB-CB 3.83Å; R447-E451 HydrophobicContact CB-CG 4.43Å; R447-E451 VanDerWaalsContact CB-OE2 3.28Å; R447-E451 WeakPolarHBondContact CB-OE2 3.34Å; R447-E451 HydrophobicContact CG-CB 4.38Å; K448-E451 PolarHBondContact N-OE2 3.43Å; K448-E451 WeakPolarHBondContact O-CB 3.22Å; K448-E451 PolarHBondContact O-N 3.01Å; E449-E451 PolarHBondContact O-N 3.35Å; E451-K492 WeakPolarHBondContact O-CA 3.37Å; E451-M493 PolarHBondContact O-N 3.29Å
452K94.4Very high93.1Very high56 Ų5662.1 Ų62.124%0.24333%0.331CS..BIsolated β-bridgetrans-70.2138.2179.3-58.4179.5-178.7-177.70109.8R447 P490 V491 L528 D530R447-K452 WeakPolarHBondContact CD-O 3.4Å; R447-K452 PolarHBondContact NH1-O 3.03Å; K452-P490 HydrophobicContact CD-CB 3.93Å; K452-P490 HydrophobicContact CG-CB 4.04Å; K452-V491 WeakPolarHBondContact CA-O 3.1Å; K452-L528 HydrophobicContact CD-CD1 4.02Å; K452-D530 VanDerWaalsContact NZ-CG 3.28Å; K452-D530 IonicContact NZ-OD1 3.64Å; K452-D530 PolarHBondContact NZ-OD1 3.09Å; K452-D530 IonicContact NZ-OD2 2.67Å; K452-D530 PolarHBondContact NZ-OD2 3.38Å
453V95.6Very high92.6Very high4 Ų463 Ų632%0.02434%0.34CS..PPolyproline II helixtrans-67.3146.6166.470.80000109.1V442 F467 L482 V491 M493 P535V442-V453 HydrophobicContact CG1-CG2 3.51Å; V453-F467 HydrophobicContact CG2-CE1 4.36Å; V453-F467 HydrophobicContact CG2-CZ 4.07Å; V453-L482 HydrophobicContact CB-CD2 3.9Å; V453-L482 HydrophobicContact CG1-CD2 4.1Å; V453-L482 HydrophobicContact CG2-CD2 3.93Å; V453-V491 HydrophobicContact CG1-CB 3.69Å; V453-V491 HydrophobicContact CG1-CG1 3.65Å; V453-V491 PolarHBondContact N-O 2.93Å; V453-M493 HydrophobicContact CB-CG 3.99Å; V453-M493 HydrophobicContact CB-SD 4.26Å; V453-M493 HydrophobicContact CG2-CG 4.41Å; V453-M493 HydrophobicContact CG2-SD 4.18Å; V453-P535 HydrophobicContact CG1-CB 3.86Å; V453-P535 HydrophobicContact CG1-CG 3.93Å; V453-P535 WeakPolarHBondContact O-CD 3.48Å
454G94.8Very high92.5Very high6 Ų665.6 Ų65.66%0.06235%0.354CS..EExtended strand (participates in β ladder)trans-105.6-174.8177.400000112.3D443D443-G454 PolarHBondContact N-O 2.99Å; D443-G454 CarbonylContact O-C 3.52Å; D443-G454 VanDerWaalsContact O-CA 3.27Å; D443-G454 WeakPolarHBondContact O-CA 3.44Å; D443-G454 PolarHBondContact O-N 3.28Å
455F93.8Very high92.4Very high42 Ų4264.9 Ų64.918%0.18435%0.35CS..EExtended strand (participates in β ladder)trans-139.5145.5167.266-68.1000107.4Q440 C441 I525 Y533Q440-F455 HydrophobicContact CB-CD2 3.93Å; Q440-F455 HydrophobicContact CG-CD2 4.42Å; C441-F455 CarbonylContact O-C 3.59Å; C441-F455 WeakPolarHBondContact O-CA 3.38Å; F455-I525 HydrophobicContact CB-CD1 4.49Å; F455-I525 HydrophobicContact CD1-CG2 4.36Å; F455-I525 HydrophobicContact CD2-CD1 4.03Å; F455-I525 HydrophobicContact CD2-CG2 4.44Å; F455-I525 HydrophobicContact CE1-CG2 4.16Å; F455-I525 HydrophobicContact CE2-CG2 4.21Å; F455-I525 HydrophobicContact CG-CD1 4.26Å; F455-I525 HydrophobicContact CZ-CG2 4.1Å; F455-Y533 HydrophobicContact CE1-CD1 4.33Å; F455-Y533 WeakPolarHBondContact CE1-O 3.4Å; F455-Y533 AromaticContact CZ-CD1 3.79Å; F455-Y533 HydrophobicContact CZ-CD1 3.79Å
456F95.6Very high92.3Very high102 Ų10261.5 Ų61.545%0.44733%0.334SS..EExtended strand (participates in β ladder)trans-148.9168.3-178.8-160.9-105.3000110.4Q440 C441 D443 M445 C458Q440-F456 CarbonylContact C-O 3.58Å; Q440-F456 WeakPolarHBondContact CA-O 3.5Å; Q440-F456 VanDerWaalsContact CB-O 3.3Å; Q440-F456 WeakPolarHBondContact CB-O 3.38Å; C441-F456 PolarHBondContact N-O 3.4Å; C441-F456 PolarHBondContact O-N 3.15Å; D443-F456 HydrophobicContact CB-CB 3.94Å; M445-F456 HydrophobicContact CE-CD2 4.37Å; M445-F456 HydrophobicContact SD-CB 4.2Å; F456-C458 PolarHBondContact O-N 3.47Å
457N96.3Very high92.4Very high96 Ų9659 Ų5951%0.51331%0.308SS..EExtended strand (participates in β ladder)trans-56.4127.8175.7-67.5-8.2000109.8Q440 H459 Q465Q440-N457 PolarHBondContact NE2-OD1 2.98Å; Q440-N457 VanDerWaalsContact NE2-OD1 3.07Å; N457-H459 PolarHBondContact O-N 3.24Å; N457-H459 VanDerWaalsContact O-N 3.14Å; N457-Q465 PolarHBondContact O-NE2 2.92Å
458C95.6Very high92.4Very high33 Ų3354.3 Ų54.322%0.22329%0.29CS..  trans-60.1118.3177.2-60.10000109N439 C441 F456N439-C458 PolarHBondContact O-SG 2.9Å; N439-C458 VanDerWaalsContact O-SG 3.41Å; C441-C458 VanDerWaalsContact CA-SG 3.59Å; C441-C458 HydrophobicContact CB-CB 4.03Å; C441-C458 WeakPolarHBondContact CB-SG 3.35Å; C441-C458 PolarHBondContact N-SG 3.19Å; C441-C458 WeakPolarHBondContact SG-CB 2.86Å; C441-C458 CovalentContact SG-SG 2.04Å; C441-C458 PolarHBondContact SG-SG 3.3Å; F456-C458 PolarHBondContact O-N 3.47Å
459H92.4Very high92.5Very high72 Ų7246.7 Ų46.733%0.33326%0.257SS..  trans-112.7-8.5-175.457.269.4000113.4N457 M461 G462 Q465N457-H459 PolarHBondContact O-N 3.24Å; N457-H459 VanDerWaalsContact O-N 3.14Å; H459-M461 HydrophobicContact CB-CG 4.3Å; H459-M461 VanDerWaalsContact ND1-CB 3.31Å; H459-M461 WeakPolarHBondContact ND1-CB 3.38Å; H459-M461 PolarHBondContact ND1-N 3.33Å; H459-M461 VanDerWaalsContact ND1-N 3.16Å; H459-M461 WeakPolarHBondContact O-CG 3.4Å; H459-M461 PolarHBondContact O-N 3.32Å; H459-G462 PolarHBondContact CE1-O 3.04Å; H459-Q465 PolarHBondContact CD2-NE2 3.37Å; H459-Q465 PolarHBondContact CD2-OE1 3.18Å; H459-Q465 WeakPolarHBondContact NE2-CG 3.35Å; H459-Q465 PolarHBondContact NE2-NE2 2.77Å; H459-Q465 PolarHBondContact NE2-OE1 2.66Å
460G87.5Confident92.4Very high63 Ų6342.4 Ų42.465%0.64924%0.237SC*.SBendtrans61.712.3176.800000114.8G462G460-G462 VanDerWaalsContact C-N 3.33Å
461M86.7Confident92.2Very high130 Ų13038.9 Ų38.964%0.6422%0.221SC*.  trans-91.55.1-178.2-52.1-173.5177.800112.6P385 H459P385-M461 VanDerWaalsContact CG-O 3.25Å; P385-M461 WeakPolarHBondContact CG-O 3.47Å; H459-M461 HydrophobicContact CB-CG 4.3Å; H459-M461 VanDerWaalsContact ND1-CB 3.31Å; H459-M461 WeakPolarHBondContact ND1-CB 3.38Å; H459-M461 PolarHBondContact ND1-N 3.33Å; H459-M461 VanDerWaalsContact ND1-N 3.16Å; H459-M461 WeakPolarHBondContact O-CG 3.4Å; H459-M461 PolarHBondContact O-N 3.32Å
462G87.1Confident91.9Very high15 Ų1538.5 Ų38.516%0.15522%0.222CC..  trans67.2-139.6-174.800000112.7I382 H459 G460 N464 Q465 V466I382-G462 WeakPolarHBondContact O-CA 3.33Å; H459-G462 PolarHBondContact CE1-O 3.04Å; G460-G462 VanDerWaalsContact C-N 3.33Å; G462-N464 PolarHBondContact O-N 3.5Å; G462-N464 VanDerWaalsContact O-N 3.14Å; G462-Q465 PolarHBondContact O-N 3.07Å; G462-V466 VanDerWaalsContact C-CG2 3.44Å
463G87.1Confident91.9Very high21 Ų2137.5 Ų37.522%0.21622%0.217CC..G310 helixtrans60.9-113.6179.500000113.5I382 I383 Q465 V466I382-G463 PolarHBondContact O-N 2.8Å; I383-G463 WeakPolarHBondContact O-CA 3.44Å; G463-Q465 VanDerWaalsContact C-N 3.26Å; G463-Q465 PolarHBondContact O-N 3.42Å; G463-V466 PolarHBondContact O-N 3.35Å
464N92Very high91.8Very high59 Ų5937.4 Ų37.432%0.31622%0.217SC..G310 helixtrans-71-17.1-173.4-69.1-4.5000114.4D443 N444 G446 G462D443-N464 WeakPolarHBondContact OD1-CB 3.35Å; N444-N464 PolarHBondContact N-O 3.38Å; N444-N464 WeakPolarHBondContact OD1-CA 3.45Å; N444-N464 WeakPolarHBondContact OD1-CB 3.27Å; N444-N464 PolarHBondContact OD1-OD1 3.38Å; G446-N464 PolarHBondContact N-ND2 3.22Å; G462-N464 PolarHBondContact O-N 3.5Å; G462-N464 VanDerWaalsContact O-N 3.14Å
465Q93.8Very high91.9Very high3 Ų337.2 Ų37.21%0.01421%0.214CC..G310 helixtrans-97.59.8177.8-66-173.9-9.400113G431 E432 C441 D443 N457 H459 G462 G463G431-Q465 CarbonylContact C-O 3.59Å; E432-Q465 WeakPolarHBondContact CA-O 3.25Å; C441-Q465 HydrophobicContact CB-CG 4.46Å; D443-Q465 HydrophobicContact CB-CG 4.13Å; D443-Q465 WeakPolarHBondContact OD2-CG 3.38Å; D443-Q465 PolarHBondContact OD2-NE2 3Å; N457-Q465 PolarHBondContact O-NE2 2.92Å; H459-Q465 PolarHBondContact CD2-NE2 3.37Å; H459-Q465 PolarHBondContact CD2-OE1 3.18Å; H459-Q465 WeakPolarHBondContact NE2-CG 3.35Å; H459-Q465 PolarHBondContact NE2-NE2 2.77Å; H459-Q465 PolarHBondContact NE2-OE1 2.66Å; G462-Q465 PolarHBondContact O-N 3.07Å; G463-Q465 VanDerWaalsContact C-N 3.26Å; G463-Q465 PolarHBondContact O-N 3.42Å
466V90.8Very high91.8Very high4 Ų435.7 Ų35.72%0.02421%0.207CC..  trans-92.5114.7178.8-175.90000109.6I382 I383 L430 G462 G463 T477I382-V466 HydrophobicContact CG2-CB 4.45Å; I382-V466 HydrophobicContact CG2-CG1 3.87Å; I382-V466 HydrophobicContact CG2-CG2 3.64Å; I383-V466 HydrophobicContact CG1-CB 4.28Å; I383-V466 HydrophobicContact CG1-CG1 3.79Å; L430-V466 HydrophobicContact CD1-CG1 4.07Å; G462-V466 VanDerWaalsContact C-CG2 3.44Å; G463-V466 PolarHBondContact O-N 3.35Å; V466-T477 PolarHBondContact O-OG1 2.91Å
467F93.2Very high91.6Very high0 Ų031.2 Ų31.20%019%0.188CC..EExtended strand (participates in β ladder)trans-124.3147173-67.9-98.9000109.8L430 G431 I433 V442 N444 V453 I475 R476 T477 L482L430-F467 WeakPolarHBondContact CA-O 3.32Å; G431-F467 PolarHBondContact N-O 3.07Å; G431-F467 PolarHBondContact O-N 3.29Å; G431-F467 VanDerWaalsContact O-O 3.12Å; I433-F467 HydrophobicContact CD1-CB 3.67Å; I433-F467 HydrophobicContact CD1-CG 4.29Å; I433-F467 HydrophobicContact CG1-CB 4.21Å; V442-F467 HydrophobicContact CB-CD2 4.38Å; V442-F467 HydrophobicContact CB-CE2 4.14Å; V442-F467 HydrophobicContact CB-CZ 4.5Å; V442-F467 HydrophobicContact CG1-CD2 4.24Å; V442-F467 HydrophobicContact CG1-CE1 4.01Å; V442-F467 HydrophobicContact CG1-CE2 3.74Å; V442-F467 HydrophobicContact CG1-CZ 3.61Å; V442-F467 WeakPolarHBondContact O-CE2 3.14Å; N444-F467 HydrophobicContact CB-CZ 4.12Å; V453-F467 HydrophobicContact CG2-CE1 4.36Å; V453-F467 HydrophobicContact CG2-CZ 4.07Å; F467-I475 HydrophobicContact CB-CG2 4.2Å; F467-I475 HydrophobicContact CD1-CG2 3.99Å; F467-I475 HydrophobicContact CG-CG2 4.46Å; F467-R476 CarbonylContact C-O 3.57Å; F467-R476 WeakPolarHBondContact CA-O 3.5Å; F467-T477 HydrophobicContact CD1-CG2 4.18Å; F467-T477 HydrophobicContact CE1-CG2 3.58Å; F467-T477 HydrophobicContact CZ-CG2 4.17Å; F467-L482 HydrophobicContact CE1-CD2 4.11Å
468S91.2Very high91.1Very high0 Ų028.1 Ų28.10%017%0.172CC..EExtended strand (participates in β ladder)trans-107.5130.2168.5750000110W260 S429 T470 I475 R476W260-S468 VanDerWaalsContact CH2-OG 3.32Å; W260-S468 WeakPolarHBondContact CH2-OG 3.39Å; S429-S468 CarbonylContact O-C 3.58Å; S429-S468 WeakPolarHBondContact O-CA 3.17Å; S468-T470 WeakPolarHBondContact OG-CG2 3.4Å; S468-I475 WeakPolarHBondContact O-CA 3.3Å; S468-R476 PolarHBondContact N-O 3.33Å; S468-R476 PolarHBondContact O-N 2.88Å
469Y93.9Very high90.6Very high1 Ų128 Ų280%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-95.1109.9165.4-179.1-128.1000109.5Y427 F428 S429 K473 I475 F505 Y507 F514 L550 Y553Y427-Y469 CarbonylContact C-O 3.56Å; Y427-Y469 WeakPolarHBondContact CA-O 3.46Å; Y427-Y469 WeakPolarHBondContact CB-O 3.38Å; F428-Y469 HydrophobicContact CB-CD1 3.78Å; F428-Y469 HydrophobicContact CB-CE1 4.3Å; F428-Y469 AromaticContact CD2-CD1 3.61Å; F428-Y469 HydrophobicContact CD2-CD1 3.61Å; F428-Y469 AromaticContact CD2-CE1 3.48Å; F428-Y469 HydrophobicContact CD2-CE1 3.48Å; F428-Y469 VanDerWaalsContact CD2-CE1 3.48Å; F428-Y469 HydrophobicContact CD2-CG 4.41Å; F428-Y469 HydrophobicContact CE2-CE1 4.07Å; F428-Y469 HydrophobicContact CG-CD1 4.07Å; F428-Y469 HydrophobicContact CG-CE1 4.14Å; F428-Y469 PolarHBondContact N-O 3.49Å; S429-Y469 PolarHBondContact N-O 2.95Å; S429-Y469 PolarHBondContact O-N 3.43Å; Y469-K473 WeakPolarHBondContact OH-CD 3.4Å; Y469-I475 HydrophobicContact CD2-CG1 3.92Å; Y469-F505 VanDerWaalsContact CE2-O 3.24Å; Y469-F505 WeakPolarHBondContact CE2-O 3.47Å; Y469-F505 PolarHBondContact OH-O 3.47Å; Y469-Y507 VanDerWaalsContact CE1-CB 3.49Å; Y469-Y507 HydrophobicContact CE1-CG 4.38Å; Y469-Y507 PolarHBondContact OH-N 3.43Å; Y469-F514 HydrophobicContact CD1-CE1 4.31Å; Y469-F514 AromaticContact CD2-CE1 3.8Å; Y469-F514 HydrophobicContact CD2-CE1 3.8Å; Y469-F514 HydrophobicContact CD2-CZ 4.47Å; Y469-F514 HydrophobicContact CE1-CE1 4.34Å; Y469-F514 HydrophobicContact CE2-CD1 4.45Å; Y469-F514 AromaticContact CE2-CE1 3.8Å; Y469-F514 HydrophobicContact CE2-CE1 3.8Å; Y469-F514 HydrophobicContact CG-CE1 4.07Å; Y469-F514 HydrophobicContact CG-CZ 4.44Å; Y469-L550 HydrophobicContact CD1-CD2 3.88Å; Y469-L550 HydrophobicContact CG-CD2 4.22Å; Y469-Y553 HydrophobicContact CD1-CE2 4.3Å; Y469-Y553 HydrophobicContact CE1-CE2 4.43Å
470T90.6Very high90.6Very high1 Ų125.9 Ų25.91%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-90.4163.4-165.564.60000113.4P424 F428 S468 D472 K473 E474 R476P424-T470 HydrophobicContact CB-CG2 3.85Å; F428-T470 WeakPolarHBondContact CD2-O 3.32Å; F428-T470 VanDerWaalsContact CE2-O 3.31Å; F428-T470 WeakPolarHBondContact CE2-O 3.29Å; S468-T470 WeakPolarHBondContact OG-CG2 3.4Å; T470-D472 PolarHBondContact O-N 3.14Å; T470-K473 PolarHBondContact O-N 2.98Å; T470-E474 PolarHBondContact N-O 3.37Å; T470-E474 PolarHBondContact OG1-N 2.85Å; T470-E474 PolarHBondContact OG1-O 2.95Å; T470-E474 VanDerWaalsContact OG1-O 3.09Å; T470-R476 HydrophobicContact CG2-CG 3.87Å
471A88.9Confident90.9Very high21 Ų2122.9 Ų22.917%0.17413%0.129CC..THydrogen-bonded Turntrans-60.4-26.6173.500000113R426 K473 L556R426-A471 HydrophobicContact CB-CB 3.62Å; R426-A471 PolarHBondContact O-N 3.13Å; A471-K473 PolarHBondContact O-N 3.29Å; A471-L556 HydrophobicContact CB-CD1 3.78Å
472D89.2Confident91.4Very high79 Ų7916.8 Ų16.842%0.42210%0.099SC..THydrogen-bonded Turntrans-80.17.8175.5-57.8-43.9000112.8T470 E474 R476T470-D472 PolarHBondContact O-N 3.14Å; D472-E474 VanDerWaalsContact C-N 3.27Å; D472-E474 PolarHBondContact O-N 3.47Å; D472-R476 IonicContact OD2-NH2 3.99Å
473K93.8Very high91.9Very high36 Ų3616.8 Ų16.816%0.15710%0.095CC..SBendtrans66.526.7176.9-51.5-69.2-180161.50113.3F428 Y469 T470 A471 M504 F505 E506F428-K473 HydrophobicContact CE2-CD 4.1Å; Y469-K473 WeakPolarHBondContact OH-CD 3.4Å; T470-K473 PolarHBondContact O-N 2.98Å; A471-K473 PolarHBondContact O-N 3.29Å; K473-M504 HydrophobicContact CB-CE 4.04Å; K473-M504 HydrophobicContact CB-CG 3.85Å; K473-M504 HydrophobicContact CG-CE 3.94Å; K473-F505 WeakPolarHBondContact CB-O 3.48Å; K473-F505 PolarHBondContact O-N 2.94Å; K473-E506 WeakPolarHBondContact CD-OE2 3.36Å; K473-E506 WeakPolarHBondContact CE-OE2 3.31Å; K473-E506 IonicContact NZ-OE1 2.97Å; K473-E506 PolarHBondContact NZ-OE1 3.31Å; K473-E506 IonicContact NZ-OE2 3.24Å; K473-E506 PolarHBondContact NZ-OE2 2.83Å
474E94.7Very high92.3Very high2 Ų215.8 Ų15.81%0.0099%0.085CC..  trans-101.2143.5174.7-60170.3156.300110.6T470 D472 R476 H498T470-E474 PolarHBondContact N-O 3.37Å; T470-E474 PolarHBondContact OG1-N 2.85Å; T470-E474 PolarHBondContact OG1-O 2.95Å; T470-E474 VanDerWaalsContact OG1-O 3.09Å; D472-E474 VanDerWaalsContact C-N 3.27Å; D472-E474 PolarHBondContact O-N 3.47Å; E474-R476 HydrophobicContact CB-CG 4.1Å; E474-R476 IonicContact OE2-CZ 2.9Å; E474-R476 IonicContact OE2-NE 3.45Å; E474-R476 PolarHBondContact OE2-NE 2.84Å; E474-R476 IonicContact OE2-NH2 2.72Å; E474-R476 PolarHBondContact OE2-NH2 3.46Å; E474-H498 WeakPolarHBondContact OE1-CA 3.29Å; E474-H498 IonicContact OE1-ND1 3.6Å; E474-H498 PolarHBondContact OE1-ND1 3.28Å; E474-H498 IonicContact OE2-CE1 3.93Å; E474-H498 IonicContact OE2-ND1 2.7Å; E474-H498 PolarHBondContact OE2-ND1 3.41Å
475I95.8Very high92.3Very high1 Ų117 Ų171%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-99.8111.5170.8-55.5169.2000107.7I433 F467 S468 Y469 C481 L482 F505 F514I433-I475 HydrophobicContact CD1-CG2 3.63Å; F467-I475 HydrophobicContact CB-CG2 4.2Å; F467-I475 HydrophobicContact CD1-CG2 3.99Å; F467-I475 HydrophobicContact CG-CG2 4.46Å; S468-I475 WeakPolarHBondContact O-CA 3.3Å; Y469-I475 HydrophobicContact CD2-CG1 3.92Å; I475-C481 WeakPolarHBondContact O-CA 3.5Å; I475-L482 HydrophobicContact CB-CB 4.25Å; I475-L482 HydrophobicContact CB-CD1 3.85Å; I475-L482 HydrophobicContact CB-CG 3.95Å; I475-L482 HydrophobicContact CD1-CD1 4.1Å; I475-L482 HydrophobicContact CG2-CD1 3.53Å; I475-L482 HydrophobicContact CG2-CG 3.88Å; I475-L482 PolarHBondContact O-N 3.29Å; I475-F505 HydrophobicContact CD1-CB 4.12Å; I475-F505 HydrophobicContact CD1-CD1 4.3Å; I475-F505 HydrophobicContact CD1-CD2 4.06Å; I475-F505 HydrophobicContact CD1-CG 3.9Å; I475-F505 HydrophobicContact CG1-CB 4.43Å; I475-F505 HydrophobicContact CG1-CD2 4.25Å; I475-F505 HydrophobicContact CG1-CG 4.42Å; I475-F514 HydrophobicContact CD1-CD1 3.96Å; I475-F514 HydrophobicContact CD1-CD2 4.35Å; I475-F514 HydrophobicContact CD1-CE1 3.78Å; I475-F514 HydrophobicContact CD1-CE2 4.17Å; I475-F514 HydrophobicContact CD1-CG 4.21Å; I475-F514 HydrophobicContact CD1-CZ 3.86Å; I475-F514 HydrophobicContact CG1-CE1 4.12Å; I475-F514 HydrophobicContact CG1-CZ 4.3Å
476R92.5Very high92.2Very high11 Ų1122.9 Ų22.94%0.04212%0.12CC..EExtended strand (participates in β ladder)trans-115.4148.5-170.1-46.9-166.6-178.6162.34.8113.3W260 F467 S468 T470 D472 E474 L480 H498W260-R476 HydrophobicContact CH2-CB 3.94Å; W260-R476 HydrophobicContact CZ2-CB 4.15Å; F467-R476 CarbonylContact C-O 3.57Å; F467-R476 WeakPolarHBondContact CA-O 3.5Å; S468-R476 PolarHBondContact N-O 3.33Å; S468-R476 PolarHBondContact O-N 2.88Å; T470-R476 HydrophobicContact CG2-CG 3.87Å; D472-R476 IonicContact OD2-NH2 3.99Å; E474-R476 HydrophobicContact CB-CG 4.1Å; E474-R476 IonicContact OE2-CZ 2.9Å; E474-R476 IonicContact OE2-NE 3.45Å; E474-R476 PolarHBondContact OE2-NE 2.84Å; E474-R476 IonicContact OE2-NH2 2.72Å; E474-R476 PolarHBondContact OE2-NH2 3.46Å; R476-L480 CarbonylContact C-O 3.47Å; R476-L480 VanDerWaalsContact CA-O 3.26Å; R476-L480 WeakPolarHBondContact CA-O 3.49Å; R476-H498 PolarHBondContact NH2-CE1 3.08Å; R476-H498 PolarHBondContact NH2-ND1 2.94Å
477T90.5Very high92.3Very high7 Ų724.9 Ų24.94%0.04313%0.13CC..EExtended strand (participates in β ladder)trans-138.7112.1167.8-172.60000109.1N444 V466 F467 D479 L480 M493N444-T477 HydrophobicContact CB-CG2 4.26Å; N444-T477 PolarHBondContact ND2-OG1 3.24Å; V466-T477 PolarHBondContact O-OG1 2.91Å; F467-T477 HydrophobicContact CD1-CG2 4.18Å; F467-T477 HydrophobicContact CE1-CG2 3.58Å; F467-T477 HydrophobicContact CZ-CG2 4.17Å; T477-D479 PolarHBondContact O-N 2.88Å; T477-L480 HydrophobicContact CG2-CB 4.28Å; T477-L480 PolarHBondContact N-O 2.88Å; T477-L480 PolarHBondContact O-N 3.12Å; T477-M493 HydrophobicContact CG2-SD 3.96Å
478D86Confident92.1Very high32 Ų3228.5 Ų28.517%0.17115%0.149CC..THydrogen-bonded Turntrans54.5-120.9-172.6-160.434.5000112N259 W260 L480N259-D478 VanDerWaalsContact CB-OD1 3.3Å; N259-D478 WeakPolarHBondContact CB-OD1 3.29Å; N259-D478 PolarHBondContact ND2-OD1 3.3Å; N259-D478 PolarHBondContact ND2-OD2 3.47Å; W260-D478 PolarHBondContact N-OD1 2.86Å; W260-D478 PolarHBondContact NE1-O 2.92Å; D478-L480 VanDerWaalsContact C-N 3.32Å
479D85.6Confident92Very high31 Ų3128.5 Ų28.517%0.16615%0.149CC..THydrogen-bonded Turntrans-88.66.5178.5-59.4-44.3000113.3Y267 Q422 T477Y267-D479 PolarHBondContact OH-OD1 2.67Å; Q422-D479 HydrophobicContact CG-CB 4.4Å; Q422-D479 VanDerWaalsContact CG-OD1 3.32Å; Q422-D479 WeakPolarHBondContact CG-OD1 3.24Å; T477-D479 PolarHBondContact O-N 2.88Å
480L92.1Very high91.9Very high26 Ų2629.8 Ų29.814%0.13616%0.158CC..EExtended strand (participates in β ladder)trans-115.2146.3-173.2-55.4178.3000112.5E449 R476 T477 D478 M493 L494 K495E449-L480 HydrophobicContact CB-CD2 4.04Å; E449-L480 HydrophobicContact CG-CD2 4.23Å; R476-L480 CarbonylContact C-O 3.47Å; R476-L480 VanDerWaalsContact CA-O 3.26Å; R476-L480 WeakPolarHBondContact CA-O 3.49Å; T477-L480 HydrophobicContact CG2-CB 4.28Å; T477-L480 PolarHBondContact N-O 2.88Å; T477-L480 PolarHBondContact O-N 3.12Å; D478-L480 VanDerWaalsContact C-N 3.32Å; L480-M493 HydrophobicContact CB-CB 4.16Å; L480-M493 HydrophobicContact CD1-CB 3.87Å; L480-L494 CarbonylContact C-O 3.55Å; L480-L494 VanDerWaalsContact CA-O 3.25Å; L480-L494 WeakPolarHBondContact CA-O 3.26Å; L480-K495 HydrophobicContact CD2-CG 4.39Å
481C94.4Very high92.2Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-114.5145.7174.3-80.20000109.5I475 D483 M493 L494 C496 Q503I475-C481 WeakPolarHBondContact O-CA 3.5Å; C481-D483 PolarHBondContact O-N 3.2Å; C481-M493 WeakPolarHBondContact O-CA 3.31Å; C481-L494 PolarHBondContact N-O 2.98Å; C481-L494 PolarHBondContact O-N 2.96Å; C481-C496 VanDerWaalsContact CA-SG 3.59Å; C481-C496 HydrophobicContact CB-CB 4.05Å; C481-C496 WeakPolarHBondContact CB-SG 3.06Å; C481-C496 PolarHBondContact N-SG 3.04Å; C481-C496 WeakPolarHBondContact SG-CA 3.29Å; C481-C496 WeakPolarHBondContact SG-CB 3.12Å; C481-C496 CovalentContact SG-SG 2.04Å; C481-C496 PolarHBondContact SG-SG 3.28Å; C481-Q503 HydrophobicContact CB-CB 4.44Å; C481-Q503 HydrophobicContact CB-CG 4.24Å
482L97Very high92.5Very high3 Ų332 Ų322%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-66.6132.2166.6-59.5-168.4000109.1V453 F467 I475 V491 K492 M493 Q503 F505V453-L482 HydrophobicContact CB-CD2 3.9Å; V453-L482 HydrophobicContact CG1-CD2 4.1Å; V453-L482 HydrophobicContact CG2-CD2 3.93Å; F467-L482 HydrophobicContact CE1-CD2 4.11Å; I475-L482 HydrophobicContact CB-CB 4.25Å; I475-L482 HydrophobicContact CB-CD1 3.85Å; I475-L482 HydrophobicContact CB-CG 3.95Å; I475-L482 HydrophobicContact CD1-CD1 4.1Å; I475-L482 HydrophobicContact CG2-CD1 3.53Å; I475-L482 HydrophobicContact CG2-CG 3.88Å; I475-L482 PolarHBondContact O-N 3.29Å; L482-V491 HydrophobicContact CB-CG1 3.8Å; L482-V491 HydrophobicContact CD1-CG1 4.15Å; L482-V491 HydrophobicContact CD2-CG1 4.13Å; L482-V491 HydrophobicContact CG-CG1 4.23Å; L482-K492 CarbonylContact C-O 3.54Å; L482-K492 WeakPolarHBondContact CA-O 3.28Å; L482-M493 HydrophobicContact CD2-CG 3.93Å; L482-Q503 WeakPolarHBondContact O-CA 3.19Å; L482-F505 HydrophobicContact CB-CE2 4.11Å; L482-F505 HydrophobicContact CB-CZ 4.34Å; L482-F505 WeakPolarHBondContact O-CE2 3.46Å
483D96.7Very high92.9Very high14 Ų1428.2 Ų28.28%0.07514%0.143CC..EExtended strand (participates in β ladder)trans-135.6138.1-175.2-167.7-66.7000110.4C481 K492 L494 H497 N502 Q503C481-D483 PolarHBondContact O-N 3.2Å; D483-K492 PolarHBondContact N-O 2.05Å; D483-K492 PolarHBondContact O-N 2.88Å; D483-L494 HydrophobicContact CB-CB 4.11Å; D483-L494 HydrophobicContact CB-CD1 3.84Å; D483-L494 HydrophobicContact CB-CG 4.03Å; D483-H497 IonicContact OD2-NE2 2.65Å; D483-N502 WeakPolarHBondContact CA-O 3.34Å; D483-Q503 HydrophobicContact CB-CG 3.99Å; D483-Q503 WeakPolarHBondContact OD2-CG 3.29Å; D483-Q503 PolarHBondContact OD2-NE2 2.7Å; D483-Q503 VanDerWaalsContact OD2-NE2 3.17Å
484V95.5Very high92.9Very high0 Ų028.6 Ų28.60%015%0.147CC..  trans-132.3118.4179.8179.30000110.6R486 V491 N502 F505 H516 V537V484-R486 WeakPolarHBondContact CG1-O 3.49Å; V484-V491 HydrophobicContact CG2-CB 4.23Å; V484-V491 HydrophobicContact CG2-CG1 4.19Å; V484-V491 HydrophobicContact CG2-CG2 3.73Å; V484-N502 PolarHBondContact N-O 2.79Å; V484-N502 WeakPolarHBondContact O-CB 3.48Å; V484-F505 HydrophobicContact CG2-CE1 4.32Å; V484-F505 HydrophobicContact CG2-CZ 3.88Å; V484-H516 PolarHBondContact O-CE1 3.05Å; V484-H516 VanDerWaalsContact O-CE1 3.3Å; V484-V537 HydrophobicContact CB-CG1 4.42Å; V484-V537 HydrophobicContact CG1-CB 4.38Å; V484-V537 HydrophobicContact CG1-CG1 3.98Å; V484-V537 HydrophobicContact CG1-CG2 3.48Å; V484-V537 VanDerWaalsContact CG1-CG2 3.48Å; V484-V537 HydrophobicContact CG2-CG1 3.84Å
485S92.3Very high92.7Very high84 Ų8434.5 Ų34.559%0.58717%0.173SC*.  trans-90-22.6-176.1600000114.9
486R92.1Very high92.4Very high127 Ų12735.2 Ų35.248%0.47918%0.177SC..SBendtrans-158.4158.9-177.467.4-177.3-168-166.54.3112.3V484 G489 E529V484-R486 WeakPolarHBondContact CG1-O 3.49Å; R486-G489 PolarHBondContact O-N 2.85Å; R486-G489 VanDerWaalsContact O-N 3.14Å; R486-E529 IonicContact CZ-OE1 2.84Å; R486-E529 IonicContact CZ-OE2 3.68Å; R486-E529 IonicContact NE-OE1 3.69Å; R486-E529 IonicContact NH2-OE1 2.77Å; R486-E529 PolarHBondContact NH2-OE1 2.92Å; R486-E529 IonicContact NH2-OE2 2.78Å; R486-E529 PolarHBondContact NH2-OE2 2.82Å
487L92.2Very high92.1Very high47 Ų4737.8 Ų37.825%0.24619%0.19CC..THydrogen-bonded Turntrans-59141.8171.2-177.169.1000110.9G489 S521 Y539L487-G489 PolarHBondContact O-N 3.22Å; L487-S521 VanDerWaalsContact CD1-CB 3.43Å; L487-S521 WeakPolarHBondContact CD1-OG 3.35Å; L487-Y539 HydrophobicContact CD2-CD2 4.32Å; L487-Y539 HydrophobicContact CD2-CE1 3.91Å; L487-Y539 HydrophobicContact CD2-CE2 3.59Å; L487-Y539 WeakPolarHBondContact CD2-OH 3.34Å
488N89.7Confident91.8Very high75 Ų7541.7 Ų41.740%0.40121%0.207SC..THydrogen-bonded Turntrans58.69.5-174.4-52.2-26.3000113.9T536 V537N488-T536 PolarHBondContact O-OG1 3.48Å; N488-V537 VanDerWaalsContact CA-O 3.25Å; N488-V537 WeakPolarHBondContact CA-O 3.43Å; N488-V537 PolarHBondContact N-O 2.78Å
489G87.9Confident91.9Very high0 Ų047.1 Ų47.10%023%0.233CC..PPolyproline II helixtrans-83.8153.2176.900000112R486 L487 T536R486-G489 PolarHBondContact O-N 2.85Å; R486-G489 VanDerWaalsContact O-N 3.14Å; L487-G489 PolarHBondContact O-N 3.22Å; G489-T536 PolarHBondContact O-OG1 2.56Å
490P93.1Very high92Very high29 Ų2951.7 Ų51.719%0.18825%0.252CS..BIsolated β-bridgetrans-64145.4177.129.4-35.3000111K452 K492 L528K452-P490 HydrophobicContact CD-CB 3.93Å; K452-P490 HydrophobicContact CG-CB 4.04Å; P490-K492 PolarHBondContact O-N 2.94Å; P490-L528 HydrophobicContact CB-CD1 4.02Å; P490-L528 HydrophobicContact CB-CD2 3.95Å
491V96.1Very high92Very high0 Ų051.3 Ų51.30%026%0.255CS..PPolyproline II helixtrans-75.5125166.6-176.40000108.6K452 V453 L482 V484 L523 P535K452-V491 WeakPolarHBondContact CA-O 3.1Å; V453-V491 HydrophobicContact CG1-CB 3.69Å; V453-V491 HydrophobicContact CG1-CG1 3.65Å; V453-V491 PolarHBondContact N-O 2.93Å; L482-V491 HydrophobicContact CB-CG1 3.8Å; L482-V491 HydrophobicContact CD1-CG1 4.15Å; L482-V491 HydrophobicContact CD2-CG1 4.13Å; L482-V491 HydrophobicContact CG-CG1 4.23Å; V484-V491 HydrophobicContact CG2-CB 4.23Å; V484-V491 HydrophobicContact CG2-CG1 4.19Å; V484-V491 HydrophobicContact CG2-CG2 3.73Å; V491-L523 HydrophobicContact CG2-CD1 3.59Å; V491-P535 HydrophobicContact CB-CB 4.25Å; V491-P535 HydrophobicContact CG2-CB 4.13Å; V491-P535 PolarHBondContact N-O 3.37Å
492K96Very high92Very high67 Ų6754 Ų5429%0.29127%0.269SS..EExtended strand (participates in β ladder)trans-110.6159.7178.7-70.5-173.9170.7-166.10111.1N450 E451 L482 D483 P490N450-K492 PolarHBondContact OD1-NZ 3.26Å; E451-K492 WeakPolarHBondContact O-CA 3.37Å; L482-K492 CarbonylContact C-O 3.54Å; L482-K492 WeakPolarHBondContact CA-O 3.28Å; D483-K492 PolarHBondContact N-O 2.05Å; D483-K492 PolarHBondContact O-N 2.88Å; P490-K492 PolarHBondContact O-N 2.94Å
493M96.1Very high92Very high0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-100.6111.9170.8-60.8-179.2-65.600108.9N444 R447 E449 N450 E451 V453 T477 L480 C481 L482N444-M493 HydrophobicContact CB-CE 4.06Å; N444-M493 HydrophobicContact CB-SD 3.55Å; N444-M493 VanDerWaalsContact CB-SD 3.55Å; R447-M493 HydrophobicContact CB-CE 3.72Å; E449-M493 CarbonylContact C-O 3.53Å; E449-M493 WeakPolarHBondContact CA-O 3.42Å; N450-M493 PolarHBondContact N-O 2.89Å; E451-M493 PolarHBondContact O-N 3.29Å; V453-M493 HydrophobicContact CB-CG 3.99Å; V453-M493 HydrophobicContact CB-SD 4.26Å; V453-M493 HydrophobicContact CG2-CG 4.41Å; V453-M493 HydrophobicContact CG2-SD 4.18Å; T477-M493 HydrophobicContact CG2-SD 3.96Å; L480-M493 HydrophobicContact CB-CB 4.16Å; L480-M493 HydrophobicContact CD1-CB 3.87Å; C481-M493 WeakPolarHBondContact O-CA 3.31Å; L482-M493 HydrophobicContact CD2-CG 3.93Å
494L94.9Very high91.9Very high44 Ų4455.1 Ų55.123%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-120165.2177.7-67.3-177.6000110.2E449 N450 L480 C481 D483 C496E449-L494 HydrophobicContact CG-CD2 4.42Å; N450-L494 HydrophobicContact CB-CD2 3.88Å; L480-L494 CarbonylContact C-O 3.55Å; L480-L494 VanDerWaalsContact CA-O 3.25Å; L480-L494 WeakPolarHBondContact CA-O 3.26Å; C481-L494 PolarHBondContact N-O 2.98Å; C481-L494 PolarHBondContact O-N 2.96Å; D483-L494 HydrophobicContact CB-CB 4.11Å; D483-L494 HydrophobicContact CB-CD1 3.84Å; D483-L494 HydrophobicContact CB-CG 4.03Å; L494-C496 PolarHBondContact O-N 2.85Å
495K91.2Very high92Very high127 Ų12755.1 Ų55.155%0.55227%0.274SS*.EExtended strand (participates in β ladder)trans-56135171.9-79.5173.2-177.91700110.7E449 L480 H497 Q503E449-K495 WeakPolarHBondContact OE1-CD 3.5Å; E449-K495 WeakPolarHBondContact OE1-CG 3.29Å; E449-K495 WeakPolarHBondContact OE2-CE 3.32Å; E449-K495 IonicContact OE2-NZ 2.67Å; L480-K495 HydrophobicContact CD2-CG 4.39Å; K495-H497 PolarHBondContact O-N 2.78Å; K495-Q503 PolarHBondContact O-NE2 3.03Å
496C88.8Confident92.2Very high15 Ų1554.5 Ų54.510%0.10126%0.262CS..  trans-62.4118172.3-66.10000109.4C481 L494C481-C496 VanDerWaalsContact CA-SG 3.59Å; C481-C496 HydrophobicContact CB-CB 4.05Å; C481-C496 WeakPolarHBondContact CB-SG 3.06Å; C481-C496 PolarHBondContact N-SG 3.04Å; C481-C496 WeakPolarHBondContact SG-CA 3.29Å; C481-C496 WeakPolarHBondContact SG-CB 3.12Å; C481-C496 CovalentContact SG-SG 2.04Å; C481-C496 PolarHBondContact SG-SG 3.28Å; L494-C496 PolarHBondContact O-N 2.85Å
497H86.8Confident92.5Very high65 Ų6549 Ų4930%0.30124%0.241SC..  trans-107.2-7.9-177.660.968.4000113.2D483 K495 M499 K500 Q503D483-H497 IonicContact OD2-NE2 2.65Å; K495-H497 PolarHBondContact O-N 2.78Å; H497-M499 HydrophobicContact CB-CE 3.95Å; H497-M499 HydrophobicContact CB-CG 4.39Å; H497-M499 VanDerWaalsContact ND1-CB 3.29Å; H497-M499 WeakPolarHBondContact ND1-CB 3.22Å; H497-M499 PolarHBondContact ND1-N 3.5Å; H497-M499 VanDerWaalsContact ND1-N 3.14Å; H497-M499 WeakPolarHBondContact O-CG 3.28Å; H497-M499 PolarHBondContact O-N 3.06Å; H497-K500 PolarHBondContact CE1-O 2.62Å; H497-K500 VanDerWaalsContact CE1-O 3.29Å; H497-Q503 PolarHBondContact CD2-NE2 3.14Å; H497-Q503 PolarHBondContact CD2-OE1 2.7Å; H497-Q503 VanDerWaalsContact CD2-OE1 3.32Å; H497-Q503 VanDerWaalsContact N-OE1 3.1Å; H497-Q503 WeakPolarHBondContact NE2-CG 3.27Å; H497-Q503 PolarHBondContact NE2-NE2 3.3Å
498H83.9Confident92.6Very high89 Ų8949.2 Ų49.241%0.41224%0.243SC..  trans57.716.5175.5-49.3-49.9000114.9E474 R476 K500E474-H498 WeakPolarHBondContact OE1-CA 3.29Å; E474-H498 IonicContact OE1-ND1 3.6Å; E474-H498 PolarHBondContact OE1-ND1 3.28Å; E474-H498 IonicContact OE2-CE1 3.93Å; E474-H498 IonicContact OE2-ND1 2.7Å; E474-H498 PolarHBondContact OE2-ND1 3.41Å; R476-H498 PolarHBondContact NH2-CE1 3.08Å; R476-H498 PolarHBondContact NH2-ND1 2.94Å; H498-K500 VanDerWaalsContact C-N 3.3Å
499M86.7Confident92.6Very high146 Ų14646.7 Ų46.772%0.71923%0.232SC*.  trans-91.89178-51-174.1-73.200112.2H497H497-M499 HydrophobicContact CB-CE 3.95Å; H497-M499 HydrophobicContact CB-CG 4.39Å; H497-M499 VanDerWaalsContact ND1-CB 3.29Å; H497-M499 WeakPolarHBondContact ND1-CB 3.22Å; H497-M499 PolarHBondContact ND1-N 3.5Å; H497-M499 VanDerWaalsContact ND1-N 3.14Å; H497-M499 WeakPolarHBondContact O-CG 3.28Å; H497-M499 PolarHBondContact O-N 3.06Å
500K88.4Confident92.7Very high127 Ų12754 Ų5455%0.55227%0.266SS*.  trans57.8-147.2-173.5-54.4177.7177.7179.70111.2H497 H498 N502 M504H497-K500 PolarHBondContact CE1-O 2.62Å; H497-K500 VanDerWaalsContact CE1-O 3.29Å; H498-K500 VanDerWaalsContact C-N 3.3Å; K500-N502 PolarHBondContact O-N 2.72Å; K500-M504 HydrophobicContact CB-CB 4.49Å; K500-M504 HydrophobicContact CB-SD 4.02Å; K500-M504 HydrophobicContact CD-SD 4.29Å; K500-M504 HydrophobicContact CG-SD 4.35Å
501G92.8Very high92.7Very high19 Ų1958.6 Ų58.620%0.19628%0.283CS..G310 helixtrans70.5-117.2176.700000112.3Q503 M504 I518G501-Q503 PolarHBondContact O-N 3.03Å; G501-Q503 VanDerWaalsContact O-N 3.08Å; G501-M504 VanDerWaalsContact O-CB 3.31Å; G501-M504 WeakPolarHBondContact O-CB 3.49Å; G501-M504 PolarHBondContact O-N 3.38Å; G501-I518 VanDerWaalsContact CA-CG1 3.48Å
502N94.3Very high92.7Very high57 Ų5762.2 Ų62.231%0.30530%0.3SS..G310 helixtrans-65.1-11.8-173-66.4-5.1000114.6D483 V484 K500 H516D483-N502 WeakPolarHBondContact CA-O 3.34Å; V484-N502 PolarHBondContact N-O 2.79Å; V484-N502 WeakPolarHBondContact O-CB 3.48Å; K500-N502 PolarHBondContact O-N 2.72Å; N502-H516 WeakPolarHBondContact CA-NE2 3.32Å; N502-H516 PolarHBondContact O-NE2 3.48Å; N502-H516 VanDerWaalsContact O-NE2 3.15Å
503Q95.8Very high92.7Very high0 Ų059.8 Ų59.80%029%0.291CS..G310 helixtrans-104.76175.6-62.8-173.1-14.300112.9C481 L482 D483 K495 H497 G501C481-Q503 HydrophobicContact CB-CB 4.44Å; C481-Q503 HydrophobicContact CB-CG 4.24Å; L482-Q503 WeakPolarHBondContact O-CA 3.19Å; D483-Q503 HydrophobicContact CB-CG 3.99Å; D483-Q503 WeakPolarHBondContact OD2-CG 3.29Å; D483-Q503 PolarHBondContact OD2-NE2 2.7Å; D483-Q503 VanDerWaalsContact OD2-NE2 3.17Å; K495-Q503 PolarHBondContact O-NE2 3.03Å; H497-Q503 PolarHBondContact CD2-NE2 3.14Å; H497-Q503 PolarHBondContact CD2-OE1 2.7Å; H497-Q503 VanDerWaalsContact CD2-OE1 3.32Å; H497-Q503 VanDerWaalsContact N-OE1 3.1Å; H497-Q503 WeakPolarHBondContact NE2-CG 3.27Å; H497-Q503 PolarHBondContact NE2-NE2 3.3Å; G501-Q503 PolarHBondContact O-N 3.03Å; G501-Q503 VanDerWaalsContact O-N 3.08Å
504M96.4Very high92.8Very high39 Ų3959.8 Ų59.819%0.19229%0.291CS..  trans-101.8120.3-173.3-165.6178.9175.500112K473 K500 G501 H516 I517K473-M504 HydrophobicContact CB-CE 4.04Å; K473-M504 HydrophobicContact CB-CG 3.85Å; K473-M504 HydrophobicContact CG-CE 3.94Å; K500-M504 HydrophobicContact CB-CB 4.49Å; K500-M504 HydrophobicContact CB-SD 4.02Å; K500-M504 HydrophobicContact CD-SD 4.29Å; K500-M504 HydrophobicContact CG-SD 4.35Å; G501-M504 VanDerWaalsContact O-CB 3.31Å; G501-M504 WeakPolarHBondContact O-CB 3.49Å; G501-M504 PolarHBondContact O-N 3.38Å; M504-H516 PolarHBondContact O-CD2 2.98Å; M504-I517 HydrophobicContact CB-CB 4.38Å; M504-I517 HydrophobicContact CB-CG1 4.22Å; M504-I517 HydrophobicContact CE-CG1 4.4Å; M504-I517 HydrophobicContact CG-CB 4.46Å; M504-I517 HydrophobicContact CG-CG1 3.85Å; M504-I517 PolarHBondContact O-N 3.16Å; M504-I517 VanDerWaalsContact O-N 3.13Å; M504-I517 HydrophobicContact SD-CG1 4.06Å
505F96.9Very high92.9Very high0 Ų060 Ų600%029%0.292CS..EExtended strand (participates in β ladder)trans-124.7120.1179.4-62.2-96.6000110.7Y469 K473 I475 L482 V484 F514 L515 H516Y469-F505 VanDerWaalsContact CE2-O 3.24Å; Y469-F505 WeakPolarHBondContact CE2-O 3.47Å; Y469-F505 PolarHBondContact OH-O 3.47Å; K473-F505 WeakPolarHBondContact CB-O 3.48Å; K473-F505 PolarHBondContact O-N 2.94Å; I475-F505 HydrophobicContact CD1-CB 4.12Å; I475-F505 HydrophobicContact CD1-CD1 4.3Å; I475-F505 HydrophobicContact CD1-CD2 4.06Å; I475-F505 HydrophobicContact CD1-CG 3.9Å; I475-F505 HydrophobicContact CG1-CB 4.43Å; I475-F505 HydrophobicContact CG1-CD2 4.25Å; I475-F505 HydrophobicContact CG1-CG 4.42Å; L482-F505 HydrophobicContact CB-CE2 4.11Å; L482-F505 HydrophobicContact CB-CZ 4.34Å; L482-F505 WeakPolarHBondContact O-CE2 3.46Å; V484-F505 HydrophobicContact CG2-CE1 4.32Å; V484-F505 HydrophobicContact CG2-CZ 3.88Å; F505-F514 HydrophobicContact CB-CB 4.5Å; F505-F514 HydrophobicContact CB-CD1 3.91Å; F505-F514 HydrophobicContact CD1-CB 4.34Å; F505-L515 CarbonylContact C-O 3.55Å; F505-L515 WeakPolarHBondContact CA-O 3.37Å; F505-H516 HydrophobicContact CD1-CB 4.09Å; F505-H516 HydrophobicContact CE1-CB 3.95Å; F505-H516 AromaticContact CE1-CD2 3.94Å; F505-H516 AromaticContact CZ-CD2 3.93Å
506E96.6Very high93.2Very high71 Ų7153.9 Ų53.933%0.33227%0.265SS..EExtended strand (participates in β ladder)trans-88.7123.9171.9-167.464.1-144.800109.6K473 F514 L515 I517K473-E506 WeakPolarHBondContact CD-OE2 3.36Å; K473-E506 WeakPolarHBondContact CE-OE2 3.31Å; K473-E506 IonicContact NZ-OE1 2.97Å; K473-E506 PolarHBondContact NZ-OE1 3.31Å; K473-E506 IonicContact NZ-OE2 3.24Å; K473-E506 PolarHBondContact NZ-OE2 2.83Å; E506-F514 CarbonylContact O-C 3.51Å; E506-F514 WeakPolarHBondContact O-CA 3.36Å; E506-L515 HydrophobicContact CB-CB 4.41Å; E506-L515 PolarHBondContact N-O 2.88Å; E506-L515 PolarHBondContact O-N 3.25Å; E506-I517 HydrophobicContact CB-CD1 3.86Å
507Y96.9Very high93.5Very high13 Ų1355.7 Ų55.75%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-96.5118.6178.8-174.3-111.1000111.2Y469 A509 H512 T513 F514 W548 L550 Y553Y469-Y507 VanDerWaalsContact CE1-CB 3.49Å; Y469-Y507 HydrophobicContact CE1-CG 4.38Å; Y469-Y507 PolarHBondContact OH-N 3.43Å; Y507-A509 HydrophobicContact CD1-CB 4.25Å; Y507-A509 HydrophobicContact CE1-CB 3.97Å; Y507-H512 PolarHBondContact OH-CD2 3.41Å; Y507-T513 WeakPolarHBondContact CA-O 3.29Å; Y507-T513 WeakPolarHBondContact CD2-O 3.27Å; Y507-F514 AromaticContact CD2-CD1 3.65Å; Y507-F514 HydrophobicContact CD2-CD1 3.65Å; Y507-F514 AromaticContact CD2-CD2 3.89Å; Y507-F514 HydrophobicContact CD2-CD2 3.89Å; Y507-F514 AromaticContact CD2-CE1 3.57Å; Y507-F514 HydrophobicContact CD2-CE1 3.57Å; Y507-F514 AromaticContact CD2-CE2 3.83Å; Y507-F514 HydrophobicContact CD2-CE2 3.83Å; Y507-F514 AromaticContact CD2-CG 3.83Å; Y507-F514 HydrophobicContact CD2-CG 3.83Å; Y507-F514 AromaticContact CD2-CZ 3.7Å; Y507-F514 HydrophobicContact CD2-CZ 3.7Å; Y507-F514 HydrophobicContact CE2-CD2 4.26Å; Y507-F514 HydrophobicContact CE2-CE2 4.07Å; Y507-F514 HydrophobicContact CE2-CZ 4.24Å; Y507-F514 HydrophobicContact CG-CD1 4.15Å; Y507-F514 AromaticContact CG-CE1 3.9Å; Y507-F514 HydrophobicContact CG-CE1 3.9Å; Y507-F514 HydrophobicContact CG-CZ 4.28Å; Y507-W548 WeakPolarHBondContact CE2-O 3.25Å; Y507-W548 PolarHBondContact OH-O 3.46Å; Y507-L550 HydrophobicContact CD1-CD2 4.12Å; Y507-L550 HydrophobicContact CD2-CD1 4.19Å; Y507-L550 HydrophobicContact CD2-CD2 4.42Å; Y507-L550 HydrophobicContact CE1-CD1 4.34Å; Y507-L550 HydrophobicContact CE1-CD2 4.07Å; Y507-L550 HydrophobicContact CE2-CD1 3.57Å; Y507-L550 HydrophobicContact CE2-CD2 4.39Å; Y507-L550 HydrophobicContact CG-CD2 4.28Å; Y507-Y553 HydrophobicContact CD1-CD2 4.09Å; Y507-Y553 HydrophobicContact CD1-CE1 4.49Å; Y507-Y553 AromaticContact CD1-CE2 3.53Å; Y507-Y553 HydrophobicContact CD1-CE2 3.53Å; Y507-Y553 AromaticContact CD1-CZ 3.77Å; Y507-Y553 HydrophobicContact CE1-CD2 4.05Å; Y507-Y553 HydrophobicContact CE1-CE1 4.44Å; Y507-Y553 AromaticContact CE1-CE2 3.92Å; Y507-Y553 HydrophobicContact CE1-CE2 3.92Å; Y507-Y553 HydrophobicContact CE1-CG 4.35Å
508D94.6Very high93.9Very high51 Ų5157.1 Ų57.127%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-88.3106.1169.6-175.9-29.5000108.5E510 K511 H512 T513D508-E510 VanDerWaalsContact C-N 3.26Å; D508-E510 PolarHBondContact O-N 2.04Å; D508-E510 WeakPolarHBondContact OD1-CB 3.12Å; D508-E510 PolarHBondContact OD1-N 3.47Å; D508-K511 HydrophobicContact CB-CB 4.28Å; D508-K511 PolarHBondContact OD1-N 3.35Å; D508-K511 VanDerWaalsContact OD2-CD 3.28Å; D508-K511 WeakPolarHBondContact OD2-CD 3.44Å; D508-K511 WeakPolarHBondContact OD2-CG 3.12Å; D508-K511 IonicContact OD2-NZ 3.91Å; D508-H512 CarbonylContact O-C 3.56Å; D508-H512 WeakPolarHBondContact O-CA 3.03Å; D508-H512 PolarHBondContact O-N 3.37Å; D508-T513 PolarHBondContact N-O 3.12Å; D508-T513 PolarHBondContact O-N 2.75Å
509A90.5Very high94.4Very high22 Ų2254.2 Ų54.218%0.18227%0.271CS..THydrogen-bonded Turntrans-72.4-15.4-177.800000114Y507 H512 Y553Y507-A509 HydrophobicContact CD1-CB 4.25Å; Y507-A509 HydrophobicContact CE1-CB 3.97Å; A509-H512 PolarHBondContact O-CD2 2.88Å; A509-H512 PolarHBondContact O-NE2 2.88Å; A509-Y553 HydrophobicContact CB-CD1 4.33Å; A509-Y553 HydrophobicContact CB-CE1 3.63Å
510E90.8Very high94.8Very high153 Ų15353 Ų5372%0.71526%0.263SS*.THydrogen-bonded Turntrans-86.1-38.3177.2-64.9-179.6-176.600110.7D508 R555D508-E510 VanDerWaalsContact C-N 3.26Å; D508-E510 PolarHBondContact O-N 2.04Å; D508-E510 WeakPolarHBondContact OD1-CB 3.12Å; D508-E510 PolarHBondContact OD1-N 3.47Å; E510-R555 IonicContact OE1-NH2 2.82Å
511K92.3Very high95.2Very high125 Ų12547 Ų4754%0.54324%0.237SC..THydrogen-bonded Turntrans-90.3-11.4176.4-60.6-179.5-168.1153.20113.4D508 T513D508-K511 HydrophobicContact CB-CB 4.28Å; D508-K511 PolarHBondContact OD1-N 3.35Å; D508-K511 VanDerWaalsContact OD2-CD 3.28Å; D508-K511 WeakPolarHBondContact OD2-CD 3.44Å; D508-K511 WeakPolarHBondContact OD2-CG 3.12Å; D508-K511 IonicContact OD2-NZ 3.91Å; K511-T513 HydrophobicContact CB-CG2 4.02Å; K511-T513 PolarHBondContact O-N 3.35Å
512H95.6Very high95.4Very high77 Ų7746.3 Ų46.336%0.35623%0.229SC..THydrogen-bonded Turntrans56.232.4-170.2-58.7130.4000113.3Y507 D508 A509 A547 W548Y507-H512 PolarHBondContact OH-CD2 3.41Å; D508-H512 CarbonylContact O-C 3.56Å; D508-H512 WeakPolarHBondContact O-CA 3.03Å; D508-H512 PolarHBondContact O-N 3.37Å; A509-H512 PolarHBondContact O-CD2 2.88Å; A509-H512 PolarHBondContact O-NE2 2.88Å; H512-A547 HydrophobicContact CB-CB 4.28Å; H512-A547 CarbonylContact O-C 3.35Å; H512-A547 WeakPolarHBondContact O-CA 3.49Å; H512-W548 PolarHBondContact O-N 2.84Å
513T96.9Very high95.6Very high15 Ų1543.7 Ų43.79%0.09222%0.215CC..EExtended strand (participates in β ladder)trans-107.2143.7-176.256.40000111.7Y507 D508 K511 Q546Y507-T513 WeakPolarHBondContact CA-O 3.29Å; Y507-T513 WeakPolarHBondContact CD2-O 3.27Å; D508-T513 PolarHBondContact N-O 3.12Å; D508-T513 PolarHBondContact O-N 2.75Å; K511-T513 HydrophobicContact CB-CG2 4.02Å; K511-T513 PolarHBondContact O-N 3.35Å; T513-Q546 HydrophobicContact CG2-CB 4.49Å
514F97.8Very high95.6Very high0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-99.1115.3166-77.4-74.8000109.9I433 Y469 I475 F505 E506 Y507 C522 L523 W548 L550I433-F514 HydrophobicContact CG2-CE2 4.01Å; Y469-F514 HydrophobicContact CD1-CE1 4.31Å; Y469-F514 AromaticContact CD2-CE1 3.8Å; Y469-F514 HydrophobicContact CD2-CE1 3.8Å; Y469-F514 HydrophobicContact CD2-CZ 4.47Å; Y469-F514 HydrophobicContact CE1-CE1 4.34Å; Y469-F514 HydrophobicContact CE2-CD1 4.45Å; Y469-F514 AromaticContact CE2-CE1 3.8Å; Y469-F514 HydrophobicContact CE2-CE1 3.8Å; Y469-F514 HydrophobicContact CG-CE1 4.07Å; Y469-F514 HydrophobicContact CG-CZ 4.44Å; I475-F514 HydrophobicContact CD1-CD1 3.96Å; I475-F514 HydrophobicContact CD1-CD2 4.35Å; I475-F514 HydrophobicContact CD1-CE1 3.78Å; I475-F514 HydrophobicContact CD1-CE2 4.17Å; I475-F514 HydrophobicContact CD1-CG 4.21Å; I475-F514 HydrophobicContact CD1-CZ 3.86Å; I475-F514 HydrophobicContact CG1-CE1 4.12Å; I475-F514 HydrophobicContact CG1-CZ 4.3Å; F505-F514 HydrophobicContact CB-CB 4.5Å; F505-F514 HydrophobicContact CB-CD1 3.91Å; F505-F514 HydrophobicContact CD1-CB 4.34Å; E506-F514 CarbonylContact O-C 3.51Å; E506-F514 WeakPolarHBondContact O-CA 3.36Å; Y507-F514 AromaticContact CD2-CD1 3.65Å; Y507-F514 HydrophobicContact CD2-CD1 3.65Å; Y507-F514 AromaticContact CD2-CD2 3.89Å; Y507-F514 HydrophobicContact CD2-CD2 3.89Å; Y507-F514 AromaticContact CD2-CE1 3.57Å; Y507-F514 HydrophobicContact CD2-CE1 3.57Å; Y507-F514 AromaticContact CD2-CE2 3.83Å; Y507-F514 HydrophobicContact CD2-CE2 3.83Å; Y507-F514 AromaticContact CD2-CG 3.83Å; Y507-F514 HydrophobicContact CD2-CG 3.83Å; Y507-F514 AromaticContact CD2-CZ 3.7Å; Y507-F514 HydrophobicContact CD2-CZ 3.7Å; Y507-F514 HydrophobicContact CE2-CD2 4.26Å; Y507-F514 HydrophobicContact CE2-CE2 4.07Å; Y507-F514 HydrophobicContact CE2-CZ 4.24Å; Y507-F514 HydrophobicContact CG-CD1 4.15Å; Y507-F514 AromaticContact CG-CE1 3.9Å; Y507-F514 HydrophobicContact CG-CE1 3.9Å; Y507-F514 HydrophobicContact CG-CZ 4.28Å; F514-C522 CarbonylContact O-C 3.58Å; F514-C522 VanDerWaalsContact O-CA 3.29Å; F514-C522 WeakPolarHBondContact O-CA 3.48Å; F514-L523 HydrophobicContact CB-CB 3.84Å; F514-L523 HydrophobicContact CB-CD2 4.28Å; F514-L523 HydrophobicContact CD2-CD2 3.91Å; F514-L523 HydrophobicContact CG-CD2 4.41Å; F514-L523 PolarHBondContact O-N 2.69Å; F514-W548 HydrophobicContact CD2-CB 4.04Å; F514-W548 HydrophobicContact CD2-CG 4.11Å; F514-W548 HydrophobicContact CE2-CB 4.08Å; F514-W548 HydrophobicContact CE2-CG 4.49Å; F514-L550 HydrophobicContact CE1-CD2 4.49Å; F514-L550 HydrophobicContact CE2-CD1 3.61Å; F514-L550 HydrophobicContact CZ-CD1 3.63Å; F514-L550 HydrophobicContact CZ-CD2 3.84Å; F514-L550 HydrophobicContact CZ-CG 4.17Å
515L97.4Very high95.6Very high48 Ų4842 Ų4225%0.25121%0.207SC..EExtended strand (participates in β ladder)trans-89.8116.6172.3179.469.6000109.8F505 E506 I517F505-L515 CarbonylContact C-O 3.55Å; F505-L515 WeakPolarHBondContact CA-O 3.37Å; E506-L515 HydrophobicContact CB-CB 4.41Å; E506-L515 PolarHBondContact N-O 2.88Å; E506-L515 PolarHBondContact O-N 3.25Å; L515-I517 HydrophobicContact CD2-CD1 4.42Å; L515-I517 PolarHBondContact O-N 2.92Å
516H97.3Very high95.4Very high0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-76.4119.9170-179.7-119.5000110V484 N502 M504 F505 I518 T519 Q520 S521 V537V484-H516 PolarHBondContact O-CE1 3.05Å; V484-H516 VanDerWaalsContact O-CE1 3.3Å; N502-H516 WeakPolarHBondContact CA-NE2 3.32Å; N502-H516 PolarHBondContact O-NE2 3.48Å; N502-H516 VanDerWaalsContact O-NE2 3.15Å; M504-H516 PolarHBondContact O-CD2 2.98Å; F505-H516 HydrophobicContact CD1-CB 4.09Å; F505-H516 HydrophobicContact CE1-CB 3.95Å; F505-H516 AromaticContact CE1-CD2 3.94Å; F505-H516 AromaticContact CZ-CD2 3.93Å; H516-I518 PolarHBondContact O-N 2.88Å; H516-T519 PolarHBondContact ND1-OG1 2.6Å; H516-Q520 WeakPolarHBondContact O-CA 3.49Å; H516-Q520 PolarHBondContact O-N 2.72Å; H516-S521 PolarHBondContact N-O 3Å; H516-V537 HydrophobicContact CB-CG1 4.06Å
517I95.1Very high95Very high52 Ų5248.2 Ų48.227%0.26723%0.231SC..THydrogen-bonded Turntrans-67.9-36-165.9-64.5-59.2000112.8M504 E506 L515 Q520M504-I517 HydrophobicContact CB-CB 4.38Å; M504-I517 HydrophobicContact CB-CG1 4.22Å; M504-I517 HydrophobicContact CE-CG1 4.4Å; M504-I517 HydrophobicContact CG-CB 4.46Å; M504-I517 HydrophobicContact CG-CG1 3.85Å; M504-I517 PolarHBondContact O-N 3.16Å; M504-I517 VanDerWaalsContact O-N 3.13Å; M504-I517 HydrophobicContact SD-CG1 4.06Å; E506-I517 HydrophobicContact CB-CD1 3.86Å; L515-I517 HydrophobicContact CD2-CD1 4.42Å; L515-I517 PolarHBondContact O-N 2.92Å; I517-Q520 PolarHBondContact O-NE2 3.47Å
518I94.6Very high94.4Very high96 Ų9648.2 Ų48.249%0.49223%0.232SC..THydrogen-bonded Turntrans-74.4-41.9-176.3-67.8-63.2000112.1G501 H516G501-I518 VanDerWaalsContact CA-CG1 3.48Å; H516-I518 PolarHBondContact O-N 2.88Å
519T94.8Very high93.6Very high28 Ų2852.8 Ų52.817%0.17225%0.252CS..THydrogen-bonded Turntrans-90.6-7.9-177.356.10000113.1H516 S521H516-T519 PolarHBondContact ND1-OG1 2.6Å; T519-S521 WeakPolarHBondContact CB-OG 3.15Å; T519-S521 PolarHBondContact O-N 3.16Å; T519-S521 PolarHBondContact OG1-OG 3.38Å
520Q95.9Very high93.2Very high120 Ų12056.3 Ų56.356%0.56127%0.267SS*.THydrogen-bonded Turntrans51.842.8-174.7-64.8-67.8-51.200111.9H516 I517H516-Q520 WeakPolarHBondContact O-CA 3.49Å; H516-Q520 PolarHBondContact O-N 2.72Å; I517-Q520 PolarHBondContact O-NE2 3.47Å
521S96.2Very high92.7Very high0 Ų050.7 Ų50.70%025%0.251CS..EExtended strand (participates in β ladder)trans-137.5157.3-17271.40000110.9L487 H516 T519 V537 E538L487-S521 VanDerWaalsContact CD1-CB 3.43Å; L487-S521 WeakPolarHBondContact CD1-OG 3.35Å; H516-S521 PolarHBondContact N-O 3Å; T519-S521 WeakPolarHBondContact CB-OG 3.15Å; T519-S521 PolarHBondContact O-N 3.16Å; T519-S521 PolarHBondContact OG1-OG 3.38Å; S521-V537 VanDerWaalsContact OG-CB 3.29Å; S521-V537 WeakPolarHBondContact OG-CB 3.24Å; S521-V537 WeakPolarHBondContact OG-CG2 3.4Å; S521-E538 CarbonylContact C-O 3.5Å; S521-E538 VanDerWaalsContact CB-O 3.27Å; S521-E538 WeakPolarHBondContact CB-O 3.5Å
522C97.5Very high92.4Very high5 Ų547.9 Ų47.93%0.03424%0.244CC..EExtended strand (participates in β ladder)trans-97.2138.7-169.9-75.20000111.5F514 T524 V537 E538 C540 Q546F514-C522 CarbonylContact O-C 3.58Å; F514-C522 VanDerWaalsContact O-CA 3.29Å; F514-C522 WeakPolarHBondContact O-CA 3.48Å; C522-T524 PolarHBondContact O-N 3.32Å; C522-V537 WeakPolarHBondContact O-CA 3.48Å; C522-E538 PolarHBondContact N-O 2.98Å; C522-E538 PolarHBondContact O-N 2.91Å; C522-C540 HydrophobicContact CB-CB 4.01Å; C522-C540 WeakPolarHBondContact CB-SG 3.3Å; C522-C540 PolarHBondContact N-SG 2.97Å; C522-C540 WeakPolarHBondContact SG-CB 3.34Å; C522-C540 CovalentContact SG-SG 2.05Å; C522-C540 PolarHBondContact SG-SG 3.18Å; C522-Q546 HydrophobicContact CB-CB 4.36Å; C522-Q546 HydrophobicContact CB-CG 4.02Å
523L97.6Very high92.1Very high2 Ų249.9 Ų49.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-59.8127.8170.3-178.167.1000109.4V491 F514 P535 T536 Q546 W548V491-L523 HydrophobicContact CG2-CD1 3.59Å; F514-L523 HydrophobicContact CB-CB 3.84Å; F514-L523 HydrophobicContact CB-CD2 4.28Å; F514-L523 HydrophobicContact CD2-CD2 3.91Å; F514-L523 HydrophobicContact CG-CD2 4.41Å; F514-L523 PolarHBondContact O-N 2.69Å; L523-P535 HydrophobicContact CD1-CB 4.35Å; L523-T536 WeakPolarHBondContact CA-O 3.35Å; L523-Q546 WeakPolarHBondContact O-CA 3.49Å; L523-W548 HydrophobicContact CD2-CD2 4.3Å; L523-W548 HydrophobicContact CD2-CZ2 4.13Å; L523-W548 HydrophobicContact CG-CZ2 3.88Å; L523-W548 PolarHBondContact O-NE1 3.34Å
524T96.7Very high91.9Very high3 Ų349.4 Ų49.42%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-143.8166.8-179.4-166.90000110.8C522 P535 T536 E538 L545C522-T524 PolarHBondContact O-N 3.32Å; T524-P535 WeakPolarHBondContact O-CA 3.47Å; T524-T536 HydrophobicContact CG2-CG2 3.56Å; T524-T536 PolarHBondContact N-O 3.23Å; T524-T536 PolarHBondContact O-N 3.17Å; T524-T536 VanDerWaalsContact O-O 3.14Å; T524-E538 HydrophobicContact CG2-CB 3.91Å; T524-E538 HydrophobicContact CG2-CG 3.7Å; T524-L545 WeakPolarHBondContact CA-O 3.49Å; T524-L545 PolarHBondContact OG1-O 3.14Å
525I94.8Very high91.8Very high0 Ų049.6 Ų49.60%025%0.248CC..EExtended strand (participates in β ladder)trans-99123.7163.5-50.2-180000107.7N435 T438 F455 Y533 L545 W548N435-I525 HydrophobicContact CB-CD1 3.72Å; T438-I525 HydrophobicContact CG2-CD1 4.1Å; F455-I525 HydrophobicContact CB-CD1 4.49Å; F455-I525 HydrophobicContact CD1-CG2 4.36Å; F455-I525 HydrophobicContact CD2-CD1 4.03Å; F455-I525 HydrophobicContact CD2-CG2 4.44Å; F455-I525 HydrophobicContact CE1-CG2 4.16Å; F455-I525 HydrophobicContact CE2-CG2 4.21Å; F455-I525 HydrophobicContact CG-CD1 4.26Å; F455-I525 HydrophobicContact CZ-CG2 4.1Å; I525-Y533 HydrophobicContact CB-CE1 4.26Å; I525-Y533 HydrophobicContact CG2-CD1 3.47Å; I525-Y533 VanDerWaalsContact CG2-CD1 3.47Å; I525-Y533 HydrophobicContact CG2-CE1 3.31Å; I525-L545 HydrophobicContact CB-CD2 4.45Å; I525-W548 HydrophobicContact CD1-CH2 3.78Å; I525-W548 HydrophobicContact CD1-CZ2 4.5Å; I525-W548 HydrophobicContact CD1-CZ3 4.39Å; I525-W548 HydrophobicContact CG1-CH2 3.45Å; I525-W548 VanDerWaalsContact CG1-CH2 3.45Å; I525-W548 HydrophobicContact CG1-CZ2 3.79Å; I525-W548 HydrophobicContact CG1-CZ3 4.48Å
526S93.3Very high91.7Very high23 Ų2347.4 Ų47.416%0.16124%0.237CC..EExtended strand (participates in β ladder)trans-154.8177.7179.8-172.20000111.7Y533 G534 E538S526-Y533 VanDerWaalsContact C-CD2 3.44Å; S526-Y533 WeakPolarHBondContact O-CA 3.27Å; S526-Y533 WeakPolarHBondContact O-CD2 3.25Å; S526-G534 PolarHBondContact N-O 3.41Å; S526-G534 VanDerWaalsContact N-O 3.11Å; S526-G534 PolarHBondContact O-N 3.29Å; S526-G534 VanDerWaalsContact O-O 3.14Å; S526-E538 WeakPolarHBondContact CB-OE1 3.46Å; S526-E538 PolarHBondContact OG-OE1 2.77Å
527R89.1Confident91.6Very high180 Ų18047.4 Ų47.468%0.67924%0.237SC*.EExtended strand (participates in β ladder)trans-81123.2177.2-166.9177-173.9-169-3109.8G531 Y533R527-G531 PolarHBondContact NE-O 2.89Å; R527-Y533 HydrophobicContact CB-CD2 3.89Å; R527-Y533 HydrophobicContact CB-CE2 4.08Å; R527-Y533 VanDerWaalsContact N-CE2 3.31Å
528L83.2Confident91.6Very high12 Ų1247.2 Ų47.26%0.06324%0.235CC..  trans-80.4162.2177-61173.8000111.3K452 P490 D530 G531 T532K452-L528 HydrophobicContact CD-CD1 4.02Å; P490-L528 HydrophobicContact CB-CD1 4.02Å; P490-L528 HydrophobicContact CB-CD2 3.95Å; L528-D530 WeakPolarHBondContact CB-OD1 3.41Å; L528-D530 PolarHBondContact O-N 2.87Å; L528-G531 WeakPolarHBondContact O-CA 3.17Å; L528-G531 PolarHBondContact O-N 3.01Å; L528-T532 WeakPolarHBondContact CB-O 3.37Å; L528-T532 PolarHBondContact N-O 3.38Å
529E79.4Confident91.7Very high148 Ų14850.4 Ų50.469%0.69224%0.242SC*.THydrogen-bonded Turntrans-55.9-31.9179.5-72.4173.4-154.500113.7R486 G531R486-E529 IonicContact CZ-OE1 2.84Å; R486-E529 IonicContact CZ-OE2 3.68Å; R486-E529 IonicContact NE-OE1 3.69Å; R486-E529 IonicContact NH2-OE1 2.77Å; R486-E529 PolarHBondContact NH2-OE1 2.92Å; R486-E529 IonicContact NH2-OE2 2.78Å; R486-E529 PolarHBondContact NH2-OE2 2.82Å; E529-G531 PolarHBondContact O-N 3.32Å
530D80.4Confident91.8Very high95 Ų9552 Ų5251%0.50825%0.254SS..THydrogen-bonded Turntrans-807.5177.269.6-8.3000113.6K452 L528 T532K452-D530 VanDerWaalsContact NZ-CG 3.28Å; K452-D530 IonicContact NZ-OD1 3.64Å; K452-D530 PolarHBondContact NZ-OD1 3.09Å; K452-D530 IonicContact NZ-OD2 2.67Å; K452-D530 PolarHBondContact NZ-OD2 3.38Å; L528-D530 WeakPolarHBondContact CB-OD1 3.41Å; L528-D530 PolarHBondContact O-N 2.87Å; D530-T532 VanDerWaalsContact C-N 3.26Å; D530-T532 PolarHBondContact O-N 3.28Å; D530-T532 WeakPolarHBondContact OD1-CB 3.32Å; D530-T532 PolarHBondContact OD1-N 2.84Å; D530-T532 VanDerWaalsContact OD1-N 3.13Å; D530-T532 PolarHBondContact OD1-OG1 2.86Å; D530-T532 PolarHBondContact OD2-OG1 3.45Å
531G81.8Confident91.7Very high35 Ų3550.9 Ų50.936%0.36125%0.252SS..SBendtrans83.1-7.9178.500000114.7R527 L528 E529R527-G531 PolarHBondContact NE-O 2.89Å; L528-G531 WeakPolarHBondContact O-CA 3.17Å; L528-G531 PolarHBondContact O-N 3.01Å; E529-G531 PolarHBondContact O-N 3.32Å
532T86.1Confident91.5Very high66 Ų6657.2 Ų57.241%0.40529%0.285SS..  trans-76.5156.2176.5650000111.5L528 D530L528-T532 WeakPolarHBondContact CB-O 3.37Å; L528-T532 PolarHBondContact N-O 3.38Å; D530-T532 VanDerWaalsContact C-N 3.26Å; D530-T532 PolarHBondContact O-N 3.28Å; D530-T532 WeakPolarHBondContact OD1-CB 3.32Å; D530-T532 PolarHBondContact OD1-N 2.84Å; D530-T532 VanDerWaalsContact OD1-N 3.13Å; D530-T532 PolarHBondContact OD1-OG1 2.86Å; D530-T532 PolarHBondContact OD2-OG1 3.45Å
533Y89.1Confident91.3Very high119 Ų11958.5 Ų58.547%0.46730%0.295SS..EExtended strand (participates in β ladder)trans-98.9140.8173.6-144.6-110.1000109.2F455 I525 S526 R527F455-Y533 HydrophobicContact CE1-CD1 4.33Å; F455-Y533 WeakPolarHBondContact CE1-O 3.4Å; F455-Y533 AromaticContact CZ-CD1 3.79Å; F455-Y533 HydrophobicContact CZ-CD1 3.79Å; I525-Y533 HydrophobicContact CB-CE1 4.26Å; I525-Y533 HydrophobicContact CG2-CD1 3.47Å; I525-Y533 VanDerWaalsContact CG2-CD1 3.47Å; I525-Y533 HydrophobicContact CG2-CE1 3.31Å; S526-Y533 VanDerWaalsContact C-CD2 3.44Å; S526-Y533 WeakPolarHBondContact O-CA 3.27Å; S526-Y533 WeakPolarHBondContact O-CD2 3.25Å; R527-Y533 HydrophobicContact CB-CD2 3.89Å; R527-Y533 HydrophobicContact CB-CE2 4.08Å; R527-Y533 VanDerWaalsContact N-CE2 3.31Å
534G92.2Very high91.1Very high5 Ų561.5 Ų61.55%0.05231%0.314CS..EExtended strand (participates in β ladder)trans176.8179.117900000114.7S526 T536S526-G534 PolarHBondContact N-O 3.41Å; S526-G534 VanDerWaalsContact N-O 3.11Å; S526-G534 PolarHBondContact O-N 3.29Å; S526-G534 VanDerWaalsContact O-O 3.14Å; G534-T536 PolarHBondContact O-N 2.77Å
535P95.4Very high91.1Very high4 Ų463.2 Ų63.23%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-62.8129175.5-24.838.4000111.6V453 V491 L523 T524V453-P535 HydrophobicContact CG1-CB 3.86Å; V453-P535 HydrophobicContact CG1-CG 3.93Å; V453-P535 WeakPolarHBondContact O-CD 3.48Å; V491-P535 HydrophobicContact CB-CB 4.25Å; V491-P535 HydrophobicContact CG2-CB 4.13Å; V491-P535 PolarHBondContact N-O 3.37Å; L523-P535 HydrophobicContact CD1-CB 4.35Å; T524-P535 WeakPolarHBondContact O-CA 3.47Å
536T95.3Very high91.2Very high2 Ų263.2 Ų63.21%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-144176.4178.6-173.70000109.1N488 G489 L523 T524 G534 E538N488-T536 PolarHBondContact O-OG1 3.48Å; G489-T536 PolarHBondContact O-OG1 2.56Å; L523-T536 WeakPolarHBondContact CA-O 3.35Å; T524-T536 HydrophobicContact CG2-CG2 3.56Å; T524-T536 PolarHBondContact N-O 3.23Å; T524-T536 PolarHBondContact O-N 3.17Å; T524-T536 VanDerWaalsContact O-O 3.14Å; G534-T536 PolarHBondContact O-N 2.77Å; T536-E538 HydrophobicContact CG2-CG 4.04Å
537V95.6Very high91.4Very high0 Ų062.8 Ų62.80%032%0.321CS..EExtended strand (participates in β ladder)trans-115.5130.5167.8-56.30000110.6V484 N488 H516 S521 C522V484-V537 HydrophobicContact CB-CG1 4.42Å; V484-V537 HydrophobicContact CG1-CB 4.38Å; V484-V537 HydrophobicContact CG1-CG1 3.98Å; V484-V537 HydrophobicContact CG1-CG2 3.48Å; V484-V537 VanDerWaalsContact CG1-CG2 3.48Å; V484-V537 HydrophobicContact CG2-CG1 3.84Å; N488-V537 VanDerWaalsContact CA-O 3.25Å; N488-V537 WeakPolarHBondContact CA-O 3.43Å; N488-V537 PolarHBondContact N-O 2.78Å; H516-V537 HydrophobicContact CB-CG1 4.06Å; S521-V537 VanDerWaalsContact OG-CB 3.29Å; S521-V537 WeakPolarHBondContact OG-CB 3.24Å; S521-V537 WeakPolarHBondContact OG-CG2 3.4Å; C522-V537 WeakPolarHBondContact O-CA 3.48Å
538E95.6Very high91.8Very high49 Ų4954.2 Ų54.223%0.22929%0.289CS..EExtended strand (participates in β ladder)trans-133.1164.3178.7-66.5-175.3176.300110.1S521 C522 T524 S526 T536 C540S521-E538 CarbonylContact C-O 3.5Å; S521-E538 VanDerWaalsContact CB-O 3.27Å; S521-E538 WeakPolarHBondContact CB-O 3.5Å; C522-E538 PolarHBondContact N-O 2.98Å; C522-E538 PolarHBondContact O-N 2.91Å; T524-E538 HydrophobicContact CG2-CB 3.91Å; T524-E538 HydrophobicContact CG2-CG 3.7Å; S526-E538 WeakPolarHBondContact CB-OE1 3.46Å; S526-E538 PolarHBondContact OG-OE1 2.77Å; T536-E538 HydrophobicContact CG2-CG 4.04Å; E538-C540 PolarHBondContact O-N 3.15Å
539Y96.6Very high92.4Very high162 Ų16257.4 Ų57.464%0.63531%0.305SS*.  trans-52132.7177-69.4-67000111.3L487 N541 Q546L487-Y539 HydrophobicContact CD2-CD2 4.32Å; L487-Y539 HydrophobicContact CD2-CE1 3.91Å; L487-Y539 HydrophobicContact CD2-CE2 3.59Å; L487-Y539 WeakPolarHBondContact CD2-OH 3.34Å; Y539-N541 PolarHBondContact O-N 3.29Å; Y539-Q546 PolarHBondContact O-NE2 2.85Å
540C96.4Very high93.1Very high61 Ų6151 Ų5141%0.41228%0.275SS..  trans-62.9121.4-178.5-61.80000110.2C522 E538C522-C540 HydrophobicContact CB-CB 4.01Å; C522-C540 WeakPolarHBondContact CB-SG 3.3Å; C522-C540 PolarHBondContact N-SG 2.97Å; C522-C540 WeakPolarHBondContact SG-CB 3.34Å; C522-C540 CovalentContact SG-SG 2.05Å; C522-C540 PolarHBondContact SG-SG 3.18Å; E538-C540 PolarHBondContact O-N 3.15Å
541N94.1Very high93.2Very high97 Ų9750.3 Ų50.352%0.51927%0.269SS..  trans-137.416.5-173.465.79.3000113.6Y539 S543 Q546Y539-N541 PolarHBondContact O-N 3.29Å; N541-S543 PolarHBondContact O-N 3.11Å; N541-S543 WeakPolarHBondContact OD1-CB 3.35Å; N541-S543 PolarHBondContact OD1-N 2.82Å; N541-Q546 VanDerWaalsContact OD1-CD 3.24Å; N541-Q546 PolarHBondContact OD1-NE2 3.12Å; N541-Q546 PolarHBondContact OD1-OE1 3.21Å
542N90.5Very high93.1Very high133 Ų13354.4 Ų54.471%0.71128%0.283SS*.  trans54.819.6-176.8-59.3-33.8000114.2
543S94.7Very high92.7Very high33 Ų3354.3 Ų54.323%0.23128%0.275CS..  trans-60.9140.4174.2175.20000110.3N541 L545 Q546N541-S543 PolarHBondContact O-N 3.11Å; N541-S543 WeakPolarHBondContact OD1-CB 3.35Å; N541-S543 PolarHBondContact OD1-N 2.82Å; S543-L545 PolarHBondContact O-N 3.2Å; S543-L545 VanDerWaalsContact O-N 3.12Å; S543-L545 PolarHBondContact OG-N 2.78Å; S543-Q546 WeakPolarHBondContact O-CA 3.01Å; S543-Q546 WeakPolarHBondContact O-CB 3.5Å; S543-Q546 PolarHBondContact O-N 3.41Å
544P94Very high91.8Very high64 Ų6452.1 Ų52.142%0.41627%0.274SS..G310 helixtrans-55-26.2170-28.437.5000113.6E437 Q546 A547E437-P544 HydrophobicContact CB-CB 3.87Å; E437-P544 HydrophobicContact CG-CB 4.36Å; E437-P544 VanDerWaalsContact OE2-CB 3.25Å; E437-P544 WeakPolarHBondContact OE2-CB 2.99Å; P544-Q546 PolarHBondContact O-N 3.2Å; P544-A547 PolarHBondContact O-N 3.34Å; P544-A547 VanDerWaalsContact O-N 3.16Å
545L95.8Very high90.2Very high39 Ų3958 Ų5820%0.20430%0.295CS..G310 helixtrans-68-19.3173.5-68.9166.6000113.3N435 E437 T438 T524 I525 S543N435-L545 PolarHBondContact ND2-O 2.8Å; E437-L545 HydrophobicContact CB-CD2 3.85Å; E437-L545 HydrophobicContact CB-CG 4.17Å; E437-L545 HydrophobicContact CG-CD2 3.86Å; E437-L545 HydrophobicContact CG-CG 4.12Å; T438-L545 HydrophobicContact CG2-CD2 3.81Å; T524-L545 WeakPolarHBondContact CA-O 3.49Å; T524-L545 PolarHBondContact OG1-O 3.14Å; I525-L545 HydrophobicContact CB-CD2 4.45Å; S543-L545 PolarHBondContact O-N 3.2Å; S543-L545 VanDerWaalsContact O-N 3.12Å; S543-L545 PolarHBondContact OG-N 2.78Å
546Q97Very high88.1Confident1 Ų161 Ų611%0.00531%0.31CS..G310 helixtrans-90.6-4.7174.2-74.2177.5-0.100113.3T513 C522 L523 Y539 N541 S543 P544 W548T513-Q546 HydrophobicContact CG2-CB 4.49Å; C522-Q546 HydrophobicContact CB-CB 4.36Å; C522-Q546 HydrophobicContact CB-CG 4.02Å; L523-Q546 WeakPolarHBondContact O-CA 3.49Å; Y539-Q546 PolarHBondContact O-NE2 2.85Å; N541-Q546 VanDerWaalsContact OD1-CD 3.24Å; N541-Q546 PolarHBondContact OD1-NE2 3.12Å; N541-Q546 PolarHBondContact OD1-OE1 3.21Å; S543-Q546 WeakPolarHBondContact O-CA 3.01Å; S543-Q546 WeakPolarHBondContact O-CB 3.5Å; S543-Q546 PolarHBondContact O-N 3.41Å; P544-Q546 PolarHBondContact O-N 3.2Å; Q546-W548 PolarHBondContact O-NE1 3.14Å
547A97.3Very high85.3Confident14 Ų1468.9 Ų68.912%0.11635%0.347CS..BIsolated β-bridgetrans-94.6129.4-179.200000111.5N435 V436 H512 P544N435-A547 PolarHBondContact ND2-O 3.19Å; V436-A547 HydrophobicContact CB-CB 3.95Å; V436-A547 HydrophobicContact CG2-CB 3.64Å; V436-A547 PolarHBondContact N-O 3.34Å; H512-A547 HydrophobicContact CB-CB 4.28Å; H512-A547 CarbonylContact O-C 3.35Å; H512-A547 WeakPolarHBondContact O-CA 3.49Å; P544-A547 PolarHBondContact O-N 3.34Å; P544-A547 VanDerWaalsContact O-N 3.16Å
548W97.2Very high82.5Confident0 Ų073.3 Ų73.30%037%0.374CS..EExtended strand (participates in β ladder)trans-132.5121-173-5991.9000111.2I433 R434 N435 V442 Y507 H512 F514 L523 I525 Q546I433-W548 HydrophobicContact CG2-CB 4.14Å; I433-W548 HydrophobicContact CG2-CD2 4.41Å; I433-W548 HydrophobicContact CG2-CE3 3.9Å; R434-W548 CarbonylContact O-C 3.51Å; R434-W548 VanDerWaalsContact O-CA 3.27Å; R434-W548 WeakPolarHBondContact O-CA 3.47Å; N435-W548 HydrophobicContact CB-CE3 3.85Å; N435-W548 HydrophobicContact CB-CH2 4.09Å; N435-W548 HydrophobicContact CB-CZ3 3.62Å; V442-W548 HydrophobicContact CG2-CE3 4.12Å; V442-W548 HydrophobicContact CG2-CH2 4.21Å; V442-W548 HydrophobicContact CG2-CZ3 3.6Å; Y507-W548 WeakPolarHBondContact CE2-O 3.25Å; Y507-W548 PolarHBondContact OH-O 3.46Å; H512-W548 PolarHBondContact O-N 2.84Å; F514-W548 HydrophobicContact CD2-CB 4.04Å; F514-W548 HydrophobicContact CD2-CG 4.11Å; F514-W548 HydrophobicContact CE2-CB 4.08Å; F514-W548 HydrophobicContact CE2-CG 4.49Å; L523-W548 HydrophobicContact CD2-CD2 4.3Å; L523-W548 HydrophobicContact CD2-CZ2 4.13Å; L523-W548 HydrophobicContact CG-CZ2 3.88Å; L523-W548 PolarHBondContact O-NE1 3.34Å; I525-W548 HydrophobicContact CD1-CH2 3.78Å; I525-W548 HydrophobicContact CD1-CZ2 4.5Å; I525-W548 HydrophobicContact CD1-CZ3 4.39Å; I525-W548 HydrophobicContact CG1-CH2 3.45Å; I525-W548 VanDerWaalsContact CG1-CH2 3.45Å; I525-W548 HydrophobicContact CG1-CZ2 3.79Å; I525-W548 HydrophobicContact CG1-CZ3 4.48Å; Q546-W548 PolarHBondContact O-NE1 3.14Å
549I95.4Very high79.8Confident79 Ų7973.9 Ų73.941%0.40539%0.387SS..EExtended strand (participates in β ladder)trans-90.9128.1175.6-61169.4000108.8R434 V436R434-I549 HydrophobicContact CB-CB 4.45Å; R434-I549 PolarHBondContact N-O 3.06Å; R434-I549 PolarHBondContact O-N 3.05Å; V436-I549 HydrophobicContact CG2-CD1 3.93Å; V436-I549 HydrophobicContact CG2-CG1 3.85Å
550L93.8Very high76.9Confident12 Ų1276.2 Ų76.26%0.06340%0.395CS..EExtended strand (participates in β ladder)trans-98.4131.5179-89.859.3000110.3I433 Y469 Y507 F514 N552 Y553I433-L550 HydrophobicContact CG2-CD1 4.18Å; Y469-L550 HydrophobicContact CD1-CD2 3.88Å; Y469-L550 HydrophobicContact CG-CD2 4.22Å; Y507-L550 HydrophobicContact CD1-CD2 4.12Å; Y507-L550 HydrophobicContact CD2-CD1 4.19Å; Y507-L550 HydrophobicContact CD2-CD2 4.42Å; Y507-L550 HydrophobicContact CE1-CD1 4.34Å; Y507-L550 HydrophobicContact CE1-CD2 4.07Å; Y507-L550 HydrophobicContact CE2-CD1 3.57Å; Y507-L550 HydrophobicContact CE2-CD2 4.39Å; Y507-L550 HydrophobicContact CG-CD2 4.28Å; F514-L550 HydrophobicContact CE1-CD2 4.49Å; F514-L550 HydrophobicContact CE2-CD1 3.61Å; F514-L550 HydrophobicContact CZ-CD1 3.63Å; F514-L550 HydrophobicContact CZ-CD2 3.84Å; F514-L550 HydrophobicContact CZ-CG 4.17Å; L550-N552 PolarHBondContact O-N 2.61Å; L550-Y553 HydrophobicContact CB-CD2 4.31Å; L550-Y553 HydrophobicContact CB-CG 4.49Å; L550-Y553 HydrophobicContact CD2-CD2 3.67Å; L550-Y553 HydrophobicContact CD2-CE2 4.22Å
551H84.3Confident73.9Confident82 Ų8281.5 Ų81.538%0.3841%0.413SS..THydrogen-bonded Turntrans-64.5128173.6-171.277000111.2S429 L430 E432 Y553S429-H551 WeakPolarHBondContact CB-O 3.45Å; S429-H551 PolarHBondContact OG-O 2.96Å; L430-H551 PolarHBondContact O-CD2 3.35Å; E432-H551 HydrophobicContact CG-CB 4.04Å; E432-H551 WeakPolarHBondContact O-CB 3.44Å; E432-H551 PolarHBondContact O-N 3.36Å; E432-H551 VanDerWaalsContact O-N 3.07Å; H551-Y553 VanDerWaalsContact C-N 3.28Å; H551-Y553 PolarHBondContact O-N 3.11Å
552N79.5Confident71.1Confident121 Ų12183.2 Ų83.265%0.64742%0.421SS*.THydrogen-bonded Turntrans47.945.2179-65.3-17000113.8L550 T554L550-N552 PolarHBondContact O-N 2.61Å; N552-T554 PolarHBondContact O-N 3.17Å
553Y77.4Confident68.7Low63 Ų6385.5 Ų85.525%0.24742%0.421CS..  trans-62.8126.9176.2-178.1-99.8000111.6F428 Y469 Y507 A509 L550 H551 R555F428-Y553 HydrophobicContact CB-CD2 3.92Å; F428-Y553 HydrophobicContact CB-CE2 3.61Å; F428-Y553 HydrophobicContact CG-CE2 4.22Å; F428-Y553 CarbonylContact O-C 3.56Å; F428-Y553 WeakPolarHBondContact O-CA 3.43Å; Y469-Y553 HydrophobicContact CD1-CE2 4.3Å; Y469-Y553 HydrophobicContact CE1-CE2 4.43Å; Y507-Y553 HydrophobicContact CD1-CD2 4.09Å; Y507-Y553 HydrophobicContact CD1-CE1 4.49Å; Y507-Y553 AromaticContact CD1-CE2 3.53Å; Y507-Y553 HydrophobicContact CD1-CE2 3.53Å; Y507-Y553 AromaticContact CD1-CZ 3.77Å; Y507-Y553 HydrophobicContact CE1-CD2 4.05Å; Y507-Y553 HydrophobicContact CE1-CE1 4.44Å; Y507-Y553 AromaticContact CE1-CE2 3.92Å; Y507-Y553 HydrophobicContact CE1-CE2 3.92Å; Y507-Y553 HydrophobicContact CE1-CG 4.35Å; A509-Y553 HydrophobicContact CB-CD1 4.33Å; A509-Y553 HydrophobicContact CB-CE1 3.63Å; L550-Y553 HydrophobicContact CB-CD2 4.31Å; L550-Y553 HydrophobicContact CB-CG 4.49Å; L550-Y553 HydrophobicContact CD2-CD2 3.67Å; L550-Y553 HydrophobicContact CD2-CE2 4.22Å; H551-Y553 VanDerWaalsContact C-N 3.28Å; H551-Y553 PolarHBondContact O-N 3.11Å; Y553-R555 HydrophobicContact CE1-CG 3.82Å
554T69.6Low65.9Low73 Ų7392.4 Ų92.445%0.44845%0.447SS..  trans-119.5132.217554.10000109.4F428 N552 L556F428-T554 WeakPolarHBondContact CD1-O 3.44Å; F428-T554 PolarHBondContact O-N 2.98Å; F428-T554 PolarHBondContact O-OG1 2.9Å; N552-T554 PolarHBondContact O-N 3.17Å; T554-L556 PolarHBondContact O-N 2.6Å
555R58.7Low62.8Low129 Ų12994 Ų9449%0.48746%0.46SS..  trans-74.1123165.5-67.5-176.2178.3-172.8-1.4106.5E510 Y553 E557 V558E510-R555 IonicContact OE1-NH2 2.82Å; Y553-R555 HydrophobicContact CE1-CG 3.82Å; R555-E557 PolarHBondContact O-N 2.77Å; R555-V558 PolarHBondContact O-N 3.46Å
556L50.4Low59.8Low67 Ų6798 Ų9835%0.35149%0.488SS..G310 helixtrans-54.3-11-174.3-92.9167.4000114.8F428 A471 T554 V558F428-L556 HydrophobicContact CD1-CB 4.18Å; F428-L556 HydrophobicContact CD1-CD1 3.81Å; F428-L556 HydrophobicContact CD1-CG 3.65Å; F428-L556 HydrophobicContact CE1-CB 3.67Å; F428-L556 HydrophobicContact CE1-CD1 3.18Å; F428-L556 HydrophobicContact CE1-CG 3.37Å; F428-L556 HydrophobicContact CE2-CD1 4.12Å; F428-L556 HydrophobicContact CZ-CD1 3.35Å; F428-L556 HydrophobicContact CZ-CG 4.1Å; A471-L556 HydrophobicContact CB-CD1 3.78Å; T554-L556 PolarHBondContact O-N 2.6Å; L556-V558 PolarHBondContact O-N 3.13Å
557E38.3Very low56.8Low168 Ų168102.7 Ų102.779%0.78552%0.517SS*.G310 helixtrans-65.4-21172.4-68.4-177.1153.600113.7R555R555-E557 PolarHBondContact O-N 2.77Å
558V36.8Very low53.6Low92 Ų92107.9 Ų107.956%0.55854%0.543SS*.G310 helixtrans-89.6-16.1-176.2-175.40000113.4R555 L556 R560 H561R555-V558 PolarHBondContact O-N 3.46Å; L556-V558 PolarHBondContact O-N 3.13Å; V558-R560 PolarHBondContact O-N 3.37Å; V558-H561 PolarHBondContact O-N 3.26Å
559A37.3Very low50.4Low61 Ų61117.9 Ų117.950%0.50458%0.582SS.*G310 helixtrans-74.7-6.4178.900000114H561A559-H561 VanDerWaalsContact C-N 3.32Å
560R37Very low47.2Very low212 Ų212121.4 Ų121.480%0.860%0.601SS**G310 helixtrans-74.9-17.1171.1-89.9-176.1176.1169.2-0.4113.8V558V558-R560 PolarHBondContact O-N 3.37Å
561H32.3Very low44.1Very low171 Ų171132.3 Ų132.379%0.79266%0.657SS**SBendtrans-109.53.9-172.4-82.9-53.2000116.1V558 A559V558-H561 PolarHBondContact O-N 3.26Å; A559-H561 VanDerWaalsContact C-N 3.32Å
562L36.1Very low42.1Very low134 Ų134134.8 Ų134.870%0.70267%0.671SS**SBendtrans-115.3-3.1177.5-75.8169000115.3
563Y40.6Very low40.1Very low180 Ų180135.5 Ų135.571%0.70667%0.673SS**SBendtrans-139.517.4-174.2-74-73.8000117
564F35.4Very low38.1Very low178 Ų178139.6 Ų139.678%0.78170%0.696SS**  trans-134.7113.7164.2-76.1-82.6000109.8P566F564-P566 WeakPolarHBondContact O-CD 3.25Å
565S28.3Very low36.2Very low97 Ų97143.5 Ų143.568%0.67871%0.711SS**  trans-63.4123.8159.71790000108.1T567S565-T567 PolarHBondContact O-N 3.07Å; S565-T567 PolarHBondContact OG-OG1 3.43Å
566P33.8Very low34.8Very low123 Ų123144.4 Ų144.480%0.79973%0.725SS**  trans-90.195.316932.2-23.7000108.9F564F564-P566 WeakPolarHBondContact O-CD 3.25Å
567T33.3Very low33.8Very low101 Ų101149.5 Ų149.562%0.6275%0.75SS**  trans-158.2123.4165.134.40000104.7S565S565-T567 PolarHBondContact O-N 3.07Å; S565-T567 PolarHBondContact OG-OG1 3.43Å
568D30.6Very low33.4Very low123 Ų123148.2 Ų148.266%0.65875%0.747SS**  cis-154.5150.63.5-69.7-49.1000103.3
569Y29.3Very low33.2Very low209 Ų209152.5 Ų152.582%0.8276%0.762SS**  -166.4142.660.4-97.6-87.7000110.4
570I28.2Very low32.8Very low154 Ų154160.2 Ų160.279%0.7978%0.783SS**  trans-68141.5150.6-74.2163.2000108.4
571L29Very low32.4Very low240 Ų240155.5 Ų155.5100%1.25778%0.782SS**  trans85.30177.8-70.2163.8000117.5

Retrieved 571 of 571 residues in 364.3 ms (Link to these results)

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