A0A087XDV2_POEFO Loading...

Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase

Involved in the biosynthesis of L2/HNK-1 carbohydrate epitope on glycoproteins. Can also play a role in glycosaminoglycan biosynthesis. Substrates include asialo-orosomucoid (ASOR), asialo-fetuin, and asialo-neural cell adhesion molecule. Requires sphingomyelin for activity: stearoyl-sphingomyelin was the most effective, followed by palmitoyl-sphingomyelin and lignoceroyl-sphingomyelin. Activity was demonstrated only for sphingomyelin with a saturated fatty acid and not for that with an unsaturated fatty acid, regardless of the length of the acyl group.

AlphaFold DB , UniProt , Accession A0A087XDV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 357 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low62.7Low234 Ų234128.6 Ų128.6100%1.15362%0.623SS**  0112.20-77.8176.8153.900108.3
2P52.7Low63.7Low92 Ų92127.9 Ų127.960%0.59762%0.623SS**  trans-65.6138177.315.5-12.2000109.7D6 I7P2-D6 HydrophobicContact CB-CB 4.45Å; P2-I7 HydrophobicContact CG-CG1 4.46Å
3K61.9Low64.6Low167 Ų167126.2 Ų126.273%0.72662%0.617SS**  trans-65.7145.1-177.4-73.2176.7179.1174.40108.4R5 D6K3-R5 PolarHBondContact O-N 3.47Å; K3-D6 WeakPolarHBondContact O-CB 3.39Å; K3-D6 PolarHBondContact O-N 3.06Å
4R59.7Low65.3Low221 Ų221122.5 Ų122.583%0.83461%0.605SS**Hα-helixtrans-50-23.6-174.9-139.1180-171-147.63.2114.7
5R58.4Low66.1Low218 Ų218119.8 Ų119.882%0.82359%0.593SS**Hα-helixtrans-75.5-31.7176-67.2176.977.4168.72.3113.4K3 L8 A9K3-R5 PolarHBondContact O-N 3.47Å; R5-L8 PolarHBondContact O-N 2.82Å; R5-A9 PolarHBondContact O-N 2.89Å
6D59.1Low67.1Low84 Ų84116.4 Ų116.445%0.44958%0.583SS.*Hα-helixtrans-73.6-34.7178.9-59.2-33.3000111.1P2 K3 A9 I10P2-D6 HydrophobicContact CB-CB 4.45Å; K3-D6 WeakPolarHBondContact O-CB 3.39Å; K3-D6 PolarHBondContact O-N 3.06Å; D6-A9 PolarHBondContact O-N 2.75Å; D6-I10 WeakPolarHBondContact O-CD1 3.41Å; D6-I10 VanDerWaalsContact O-CG1 3.24Å; D6-I10 WeakPolarHBondContact O-CG1 3.3Å; D6-I10 PolarHBondContact O-N 2.75Å
7I68.8Low67.4Low85 Ų85119.3 Ų119.344%0.43659%0.585SS.*Hα-helixtrans-65.2-41.3175.6-57.8176000110.4P2 I10 V11P2-I7 HydrophobicContact CG-CG1 4.46Å; I7-I10 PolarHBondContact O-N 3.09Å; I7-V11 HydrophobicContact CG2-CG2 4.36Å; I7-V11 WeakPolarHBondContact O-CB 3.19Å; I7-V11 WeakPolarHBondContact O-CG2 3.25Å; I7-V11 PolarHBondContact O-N 2.9Å
8L68.8Low67.8Low106 Ų106116.3 Ų116.356%0.55558%0.575SS**Hα-helixtrans-64.4-41.1177-113.7100.9000112.1R5 V11 L12R5-L8 PolarHBondContact O-N 2.82Å; L8-V11 PolarHBondContact O-N 2.84Å; L8-L12 HydrophobicContact CD2-CD1 3.76Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 2.85Å
9A68.4Low68.2Low45 Ų45115.8 Ų115.837%0.37257%0.574SS.*Hα-helixtrans-66.4-39.9177.900000112R5 D6 I13 V14R5-A9 PolarHBondContact O-N 2.89Å; D6-A9 PolarHBondContact O-N 2.75Å; A9-I13 VanDerWaalsContact O-CB 3.32Å; A9-I13 WeakPolarHBondContact O-CB 3.33Å; A9-I13 PolarHBondContact O-N 2.85Å; A9-V14 PolarHBondContact O-N 2.96Å
10I68.6Low68.5Low90 Ų90115.6 Ų115.646%0.46258%0.575SS.*Iπ-helixtrans-64.3-42.5175.9-68.3165.8000110.8D6 I7 V14 L15D6-I10 WeakPolarHBondContact O-CD1 3.41Å; D6-I10 VanDerWaalsContact O-CG1 3.24Å; D6-I10 WeakPolarHBondContact O-CG1 3.3Å; D6-I10 PolarHBondContact O-N 2.75Å; I7-I10 PolarHBondContact O-N 3.09Å; I10-V14 WeakPolarHBondContact O-CB 3.19Å; I10-V14 PolarHBondContact O-N 3.47Å; I10-L15 PolarHBondContact O-N 3.38Å
11V73.9Confident68.7Low73 Ų73114.3 Ų114.344%0.44257%0.569SS.*Iπ-helixtrans-76.4-37.8-176.9175.40000113I7 L8 L15 P16I7-V11 HydrophobicContact CG2-CG2 4.36Å; I7-V11 WeakPolarHBondContact O-CB 3.19Å; I7-V11 WeakPolarHBondContact O-CG2 3.25Å; I7-V11 PolarHBondContact O-N 2.9Å; L8-V11 PolarHBondContact O-N 2.84Å; V11-L15 HydrophobicContact CG2-CD1 4.23Å; V11-P16 WeakPolarHBondContact O-CD 3.34Å
12L75.2Confident69.7Low120 Ų120106.6 Ų106.663%0.62854%0.535SS*.Iπ-helixtrans-92.5-19.4-174.3-65.9173.1000114L8L8-L12 HydrophobicContact CD2-CD1 3.76Å; L8-L12 HydrophobicContact CG-CD1 4.23Å; L8-L12 VanDerWaalsContact O-CB 3.3Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 2.85Å
13I75.4Confident70.5Confident105 Ų105105.6 Ų105.654%0.53853%0.527SS..Iπ-helixtrans-120.1-54.1-176-53176.6000110.3A9 W17A9-I13 VanDerWaalsContact O-CB 3.32Å; A9-I13 WeakPolarHBondContact O-CB 3.33Å; A9-I13 PolarHBondContact O-N 2.85Å; I13-W17 PolarHBondContact O-N 3Å
14V74.6Confident70.4Confident75 Ų75106.7 Ų106.746%0.45553%0.527SS..Iπ-helixtrans-72.2-47.5-172.8-176.50000111.5A9 I10 W17 T18A9-V14 PolarHBondContact O-N 2.96Å; I10-V14 WeakPolarHBondContact O-CB 3.19Å; I10-V14 PolarHBondContact O-N 3.47Å; V14-W17 PolarHBondContact O-N 3.42Å; V14-T18 HydrophobicContact CG1-CG2 4.05Å; V14-T18 WeakPolarHBondContact O-CG2 3.3Å; V14-T18 PolarHBondContact O-N 2.88Å; V14-T18 PolarHBondContact O-OG1 3.29Å; V14-T18 VanDerWaalsContact O-OG1 3.13Å
15L76.7Confident70.3Confident82 Ų82101.5 Ų101.543%0.42951%0.512SS..Hα-helixtrans-61-45.4-178.1-96.4161.1000114I10 V11 W17 T18 L19I10-L15 PolarHBondContact O-N 3.38Å; V11-L15 HydrophobicContact CG2-CD1 4.23Å; L15-W17 VanDerWaalsContact C-N 3.34Å; L15-W17 PolarHBondContact O-N 2.86Å; L15-T18 WeakPolarHBondContact CA-OG1 3.23Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 PolarHBondContact O-OG1 2.85Å; L15-T18 VanDerWaalsContact O-OG1 3.04Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 PolarHBondContact O-N 3.31Å
16P81.7Confident70Confident66 Ų6697.8 Ų97.843%0.42950%0.504SS..Hα-helixtrans-64.6-38.6177.1-24.535.2000112.5V11 L20V11-P16 WeakPolarHBondContact O-CD 3.34Å; P16-L20 VanDerWaalsContact O-CB 3.26Å; P16-L20 WeakPolarHBondContact O-CB 3.37Å; P16-L20 PolarHBondContact O-N 2.93Å
17W72.1Confident69.7Low165 Ų16597.5 Ų97.563%0.62551%0.508SS*.Hα-helixtrans-70.8-38.4177.8-84.992.4000112.3I13 V14 L15 L20 I21I13-W17 PolarHBondContact O-N 3Å; V14-W17 PolarHBondContact O-N 3.42Å; L15-W17 VanDerWaalsContact C-N 3.34Å; L15-W17 PolarHBondContact O-N 2.86Å; W17-L20 PolarHBondContact O-N 3.07Å; W17-I21 WeakPolarHBondContact O-CB 3.49Å; W17-I21 WeakPolarHBondContact O-CD1 3.38Å; W17-I21 WeakPolarHBondContact O-CG1 3.29Å; W17-I21 PolarHBondContact O-N 2.99Å
18T75.9Confident68.7Low65 Ų6597 Ų9740%0.39952%0.517SS..Hα-helixtrans-70.2-35.9174.756.90000111.8V14 L15 T22V14-T18 HydrophobicContact CG1-CG2 4.05Å; V14-T18 WeakPolarHBondContact O-CG2 3.3Å; V14-T18 PolarHBondContact O-N 2.88Å; V14-T18 PolarHBondContact O-OG1 3.29Å; V14-T18 VanDerWaalsContact O-OG1 3.13Å; L15-T18 WeakPolarHBondContact CA-OG1 3.23Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 PolarHBondContact O-OG1 2.85Å; L15-T18 VanDerWaalsContact O-OG1 3.04Å; T18-T22 WeakPolarHBondContact O-CB 3.47Å; T18-T22 VanDerWaalsContact O-CG2 3.25Å; T18-T22 WeakPolarHBondContact O-CG2 3.34Å; T18-T22 PolarHBondContact O-N 3.41Å; T18-T22 PolarHBondContact O-OG1 2.81Å
19L75.3Confident67.6Low107 Ų10798 Ų9856%0.5652%0.522SS*.Hα-helixtrans-66-42172.4-129.2117.7000111.4L15 T22 V23L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 PolarHBondContact O-N 3.31Å; L19-T22 VanDerWaalsContact CA-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.22Å; L19-T22 PolarHBondContact O-N 2.89Å; L19-T22 PolarHBondContact O-OG1 3.37Å; L19-V23 VanDerWaalsContact O-CB 3.3Å; L19-V23 WeakPolarHBondContact O-CB 3.46Å; L19-V23 WeakPolarHBondContact O-CG2 3.47Å; L19-V23 PolarHBondContact O-N 3.05Å
20L73.9Confident66Low111 Ų11198.2 Ų98.258%0.58152%0.524SS*.Hα-helixtrans-63.5-44.7176.6-164.184.5000111.1P16 W17 W24P16-L20 VanDerWaalsContact O-CB 3.26Å; P16-L20 WeakPolarHBondContact O-CB 3.37Å; P16-L20 PolarHBondContact O-N 2.93Å; W17-L20 PolarHBondContact O-N 3.07Å; L20-W24 WeakPolarHBondContact O-CB 3.24Å; L20-W24 PolarHBondContact O-N 2.79Å
21I72Confident64.7Low89 Ų89100 Ų10046%0.45654%0.541SS..Hα-helixtrans-65.9-41.3178.1-69.9165.2000110.8W17 W24 H25W17-I21 WeakPolarHBondContact O-CB 3.49Å; W17-I21 WeakPolarHBondContact O-CD1 3.38Å; W17-I21 WeakPolarHBondContact O-CG1 3.29Å; W17-I21 PolarHBondContact O-N 2.99Å; I21-W24 PolarHBondContact O-N 2.64Å; I21-H25 WeakPolarHBondContact O-CB 3.18Å; I21-H25 PolarHBondContact O-N 3.39Å
22T70.5Confident62.9Low73 Ų73103.6 Ų103.645%0.44856%0.557SS.*Hα-helixtrans-69.5-40.4178.248.70000112.1T18 L19 W24 H25 Q26T18-T22 WeakPolarHBondContact O-CB 3.47Å; T18-T22 VanDerWaalsContact O-CG2 3.25Å; T18-T22 WeakPolarHBondContact O-CG2 3.34Å; T18-T22 PolarHBondContact O-N 3.41Å; T18-T22 PolarHBondContact O-OG1 2.81Å; L19-T22 VanDerWaalsContact CA-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.22Å; L19-T22 PolarHBondContact O-N 2.89Å; L19-T22 PolarHBondContact O-OG1 3.37Å; T22-W24 VanDerWaalsContact C-N 3.34Å; T22-H25 PolarHBondContact O-N 2.82Å; T22-Q26 WeakPolarHBondContact O-CB 3.26Å; T22-Q26 VanDerWaalsContact O-CG 3.3Å; T22-Q26 WeakPolarHBondContact O-CG 3.3Å; T22-Q26 PolarHBondContact O-N 3.39Å
23V70Confident61.1Low70 Ų70104.8 Ų104.842%0.42456%0.563SS.*Hα-helixtrans-63.1-41.7171.3170.10000110.6L19 Q26 S27L19-V23 VanDerWaalsContact O-CB 3.3Å; L19-V23 WeakPolarHBondContact O-CB 3.46Å; L19-V23 WeakPolarHBondContact O-CG2 3.47Å; L19-V23 PolarHBondContact O-N 3.05Å; V23-Q26 PolarHBondContact O-N 2.84Å; V23-S27 VanDerWaalsContact O-CB 3.26Å; V23-S27 WeakPolarHBondContact O-CB 3.34Å; V23-S27 PolarHBondContact O-N 2.84Å; V23-S27 PolarHBondContact O-OG 2.81Å
24W59.9Low58.9Low191 Ų191104.4 Ų104.472%0.72358%0.576SS**Hα-helixtrans-67.4-39.9178.3-159.467.2000111.8L20 I21 T22 S27 A28L20-W24 WeakPolarHBondContact O-CB 3.24Å; L20-W24 PolarHBondContact O-N 2.79Å; I21-W24 PolarHBondContact O-N 2.64Å; T22-W24 VanDerWaalsContact C-N 3.34Å; W24-S27 PolarHBondContact O-N 3.36Å; W24-A28 VanDerWaalsContact O-CB 3.23Å; W24-A28 WeakPolarHBondContact O-CB 3.47Å; W24-A28 PolarHBondContact O-N 2.85Å
25H57.6Low56.9Low112 Ų112107.1 Ų107.152%0.51959%0.586SS.*Hα-helixtrans-68.1-38.5173.6-113.3-75.6000112.6I21 T22 A28 I29I21-H25 WeakPolarHBondContact O-CB 3.18Å; I21-H25 PolarHBondContact O-N 3.39Å; T22-H25 PolarHBondContact O-N 2.82Å; H25-A28 PolarHBondContact O-N 3.1Å; H25-I29 WeakPolarHBondContact O-CB 3.43Å; H25-I29 WeakPolarHBondContact O-CD1 3.32Å; H25-I29 WeakPolarHBondContact O-CG1 3.18Å; H25-I29 PolarHBondContact O-N 3.48Å; H25-I29 VanDerWaalsContact O-N 3.1Å
26Q52.3Low54.6Low139 Ų139114.1 Ų114.165%0.6561%0.607SS**Hα-helixtrans-67.4-37.5173.9-76.8-179.7-13.500111.7T22 V23 I29 A30T22-Q26 WeakPolarHBondContact O-CB 3.26Å; T22-Q26 VanDerWaalsContact O-CG 3.3Å; T22-Q26 WeakPolarHBondContact O-CG 3.3Å; T22-Q26 PolarHBondContact O-N 3.39Å; V23-Q26 PolarHBondContact O-N 2.84Å; Q26-I29 PolarHBondContact O-N 3.42Å; Q26-A30 WeakPolarHBondContact O-CB 3.43Å; Q26-A30 PolarHBondContact O-N 2.8Å
27S51.6Low52.3Low78 Ų78121.3 Ų121.355%0.54563%0.632SS.*Hα-helixtrans-71.7-34176.6-53.40000112.2V23 W24 I29V23-S27 VanDerWaalsContact O-CB 3.26Å; V23-S27 WeakPolarHBondContact O-CB 3.34Å; V23-S27 PolarHBondContact O-N 2.84Å; V23-S27 PolarHBondContact O-OG 2.81Å; W24-S27 PolarHBondContact O-N 3.36Å; S27-I29 VanDerWaalsContact C-N 3.29Å
28A48.4Very low50.1Low75 Ų75117.6 Ų117.662%0.6264%0.636SS**Hα-helixtrans-73.3-21.717500000112.8W24 H25W24-A28 VanDerWaalsContact O-CB 3.23Å; W24-A28 WeakPolarHBondContact O-CB 3.47Å; W24-A28 PolarHBondContact O-N 2.85Å; H25-A28 PolarHBondContact O-N 3.1Å
29I46.6Very low47.7Very low128 Ų128120.4 Ų120.466%0.65666%0.657SS**Hα-helixtrans-101.6-9.3-178.3-65170.2000112.4H25 Q26 S27H25-I29 WeakPolarHBondContact O-CB 3.43Å; H25-I29 WeakPolarHBondContact O-CD1 3.32Å; H25-I29 WeakPolarHBondContact O-CG1 3.18Å; H25-I29 PolarHBondContact O-N 3.48Å; H25-I29 VanDerWaalsContact O-N 3.1Å; Q26-I29 PolarHBondContact O-N 3.42Å; S27-I29 VanDerWaalsContact C-N 3.29Å
30A34.5Very low45.7Very low49 Ų49124.6 Ų124.641%0.40567%0.673SS.*  trans-118.593.1175.700000112.6Q26 L32Q26-A30 WeakPolarHBondContact O-CB 3.43Å; Q26-A30 PolarHBondContact O-N 2.8Å; A30-L32 PolarHBondContact O-N 2.99Å; A30-L32 VanDerWaalsContact O-N 3.07Å
31P41.2Very low43.6Very low127 Ų127127.7 Ų127.783%0.82568%0.684SS**  trans-80.465.6151.334.9-27.9000107.5
32L36.1Very low41.6Very low149 Ų149131.6 Ų131.678%0.7871%0.705SS**  trans-100.388171.5-81.4167.6000108.8A30 A34A30-L32 PolarHBondContact O-N 2.99Å; A30-L32 VanDerWaalsContact O-N 3.07Å; L32-A34 PolarHBondContact O-N 2.75Å
33L36.3Very low39.7Very low145 Ų145134.8 Ų134.876%0.75972%0.724SS**  trans-51.596143.7-90.5157.8000107.7I35L33-I35 HydrophobicContact CB-CG1 4.3Å; L33-I35 HydrophobicContact CD2-CD1 4.28Å; L33-I35 HydrophobicContact CD2-CG1 4.09Å; L33-I35 PolarHBondContact O-N 2.89Å
34A29.4Very low37.8Very low97 Ų97140.9 Ų140.980%0.80275%0.745SS**  trans-70.574.1158.400000108.1L32 R36L32-A34 PolarHBondContact O-N 2.75Å; A34-R36 PolarHBondContact O-N 3.41Å
35I32.4Very low36.5Very low132 Ų132140.1 Ų140.168%0.67775%0.749SS**  trans-74.390.5159.9-64.3172.9000105.5L33 K37L33-I35 HydrophobicContact CB-CG1 4.3Å; L33-I35 HydrophobicContact CD2-CD1 4.28Å; L33-I35 HydrophobicContact CD2-CG1 4.09Å; L33-I35 PolarHBondContact O-N 2.89Å; I35-K37 PolarHBondContact O-N 2.86Å
36R29Very low35.3Very low229 Ų229142.1 Ų142.186%0.86476%0.762SS**  trans-52126.6160.2-128.7179.8-175.7-161.91.4106.9A34 A38A34-R36 PolarHBondContact O-N 3.41Å; R36-A38 PolarHBondContact O-N 3.41Å
37K32.7Very low34.1Very low217 Ų217144.2 Ų144.294%0.94377%0.769SS**  trans-34.7103.3171.1-88.9175.6170.6174.10110.8I35I35-K37 PolarHBondContact O-N 2.86Å
38A26.5Very low33.1Very low86 Ų86147.6 Ų147.671%0.71178%0.78SS**  trans-138.9107164.100000107.2R36R36-A38 PolarHBondContact O-N 3.41Å
39C26.2Very low32.4Very low125 Ų125149.8 Ų149.885%0.84578%0.78SS**  trans45.8108.3166.5-84.20000119.2H41C39-H41 VanDerWaalsContact C-N 3.29Å; C39-H41 PolarHBondContact O-N 2.91Å
40H32.4Very low31.8Very low194 Ų194149.1 Ų149.190%0.89878%0.784SS**SBendtrans-50.489.5147.4-93.8-104.9000110.7
41H29.1Very low31.8Very low177 Ų177154.8 Ų154.882%0.81980%0.802SS**SBendtrans168.566.5152.1-109.2-70.4000110.7C39C39-H41 VanDerWaalsContact C-N 3.29Å; C39-H41 PolarHBondContact O-N 2.91Å
42L31.5Very low31.3Very low171 Ų171160.6 Ų160.690%0.89581%0.807SS**SBendtrans-168.820.6163.4-110.5143.9000117.5
43V30.8Very low30.9Very low139 Ų139159.5 Ų159.584%0.84280%0.802SS**  trans-131.675.2171.7-168.50000109
44K28.7Very low30.5Very low198 Ų198157 Ų15786%0.86180%0.803SS**  trans-121.53.9167.6-116.4-174.9-178-176.70113.3
45E33.5Very low30.5Very low176 Ų176157 Ų15782%0.82279%0.792SS**  trans-125.996172.7-71-166.3165.700108.4
46I32.6Very low30.3Very low153 Ų153159.7 Ų159.779%0.78580%0.801SS**SBendtrans-180103149.1-88.1147.8000104.1
47F27.1Very low30.3Very low183 Ų183156.8 Ų156.880%0.80380%0.797SS**  trans58.698.4172.4-73.9-94.8000118.2
48I30.1Very low30Very low150 Ų150156 Ų15677%0.76980%0.796SS**  trans-107.2113.4153.9-59.8178.9000107.2
49I33.8Very low30Very low120 Ų120163.1 Ų163.162%0.61581%0.805SS**PPolyproline II helixtrans-103.6136.4152-62.2177.2000105.1E51I49-E51 PolarHBondContact O-N 2.89Å
50P34.4Very low30.1Very low114 Ų114165.5 Ų165.574%0.7481%0.809SS**PPolyproline II helixtrans-73.5127.6-1717.15.4000111.5
51E34.5Very low29.9Very low168 Ų168161.8 Ų161.879%0.78580%0.804SS**PPolyproline II helixtrans-61.6129.2166.4-95.1178.5147.400111.1I49 L53I49-E51 PolarHBondContact O-N 2.89Å; E51-L53 HydrophobicContact CG-CD1 4.4Å
52R29.9Very low30Very low249 Ų249161.3 Ų161.394%0.9481%0.808SS**  trans-124.191.7150.6-127.8-175.8-172.5-167.62.6107.5A54R52-A54 PolarHBondContact O-N 3.46Å
53L28.6Very low30Very low126 Ų126162.4 Ų162.466%0.6681%0.808SS**  trans-66.2113170.7-94.1132.9000109.6E51 V55E51-L53 HydrophobicContact CG-CD1 4.4Å; L53-V55 HydrophobicContact CB-CG2 4.31Å; L53-V55 HydrophobicContact CD2-CG2 4.23Å
54A28Very low29.9Very low94 Ų94159.8 Ų159.878%0.77781%0.809SS**  trans-85.4100.5156.100000107.3R52 H56R52-A54 PolarHBondContact O-N 3.46Å; A54-H56 PolarHBondContact O-N 3.04Å
55V29.3Very low29.9Very low95 Ų95154.4 Ų154.458%0.57681%0.81SS**  trans-80108174.7177.70000108.4L53L53-V55 HydrophobicContact CB-CG2 4.31Å; L53-V55 HydrophobicContact CD2-CG2 4.23Å
56H27Very low29.7Very low189 Ų189155.8 Ų155.888%0.87582%0.816SS**  trans-85.4105.2164-99-49.9000109.1A54 H58A54-H56 PolarHBondContact O-N 3.04Å; H56-H58 PolarHBondContact O-N 3.43Å
57H29.5Very low29.5Very low169 Ų169152.4 Ų152.478%0.78282%0.819SS**  trans-74.8114.1166-83.2-66.9000109.7
58H26.3Very low29.6Very low200 Ų200154 Ų15493%0.92682%0.82SS**  trans-87107.2156.7-105.8-28.9000108.6H56H56-H58 PolarHBondContact O-N 3.43Å
59R26.6Very low29.5Very low235 Ų235156 Ų15689%0.88782%0.818SS**  trans-95.5113.7166.6-126.5-179.3-163.8175.64.4107.3S61R59-S61 PolarHBondContact O-N 2.9Å
60L28.8Very low29.1Very low176 Ų176158.4 Ų158.492%0.92183%0.826SS**  trans-74.1117.4161.5-78161.1000107
61S28.8Very low28.8Very low116 Ų116158 Ų15881%0.81183%0.832SS**  trans-75.7128.8171.2390000109.5R59R59-S61 PolarHBondContact O-N 2.9Å
62D31Very low28.4Very low166 Ų166153.9 Ų153.989%0.88884%0.835SS**  trans-131.2132.3160-137.8-0.6000108.5
63E30.1Very low28.2Very low195 Ų195145.9 Ų145.991%0.91183%0.831SS**  trans-78.6154.5-174-69.4-165.2146.400112.6
64G29.6Very low28.4Very low83 Ų83149.2 Ų149.286%0.85684%0.843SS**  trans132.1121142.300000117
65G29Very low28.4Very low85 Ų85152.2 Ų152.288%0.87685%0.846SS**  trans119.4108.7140.100000117.9
66E28.9Very low28.7Very low206 Ų206152.9 Ų152.996%0.96386%0.855SS**  trans-66.2159.4172.5-61.1176126.800114.7
67G29.1Very low28.8Very low82 Ų82152.8 Ų152.885%0.84585%0.852SS**  trans167.5126.7160.300000115.9
68R27.9Very low28.9Very low217 Ų217154.1 Ų154.182%0.81986%0.858SS**  trans-91.9151.7-170.8-100.5175.2170.9170.3-2.2114.6
69R28.1Very low28.9Very low191 Ų191154.7 Ų154.772%0.72185%0.854SS**  trans77.2129.4138.9-74.4-179.3-175.1-176.5-0.5123.2
70E26.2Very low28.9Very low170 Ų170149.5 Ų149.579%0.79485%0.852SS**  trans79.4115.4133.5-75.2176.7-17200123.6
71A28.4Very low29.1Very low105 Ų105145.3 Ų145.387%0.86884%0.843SS**  57.5126.2127.800000122.6
72G25.2Very low29.5Very low82 Ų82144.3 Ų144.385%0.84584%0.836SS**  trans131.5127.9138.800000116.8
73G26.4Very low29.8Very low82 Ų82143.3 Ų143.385%0.84583%0.831SS**  trans104.9107.1142.300000118
74Q32.4Very low30.2Very low195 Ų195142.3 Ų142.391%0.91182%0.823SS**  trans-56.4136.4156.1-77.4152.8-64.900110.8
75D28.4Very low30.6Very low158 Ų158144.9 Ų144.985%0.84582%0.817SS**  -162.5134124.4-125.9-16.8000112.3K77D75-K77 PolarHBondContact O-N 3.32Å
76S34.4Very low31.3Very low108 Ų108148.1 Ų148.176%0.75581%0.813SS**  trans-69.3118.8-177.943.80000112.1
77K28.8Very low31.9Very low188 Ų188143.6 Ų143.682%0.81780%0.799SS**  trans-131.1105.9154.3-85.9-175.1177.9174.40109.6D75 Y79D75-K77 PolarHBondContact O-N 3.32Å; K77-Y79 PolarHBondContact O-N 3.13Å
78E32.1Very low32.6Very low196 Ų196147.6 Ų147.692%0.91680%0.796SS**  trans-52.3102.4168.5-159.3169.1-153.900109.3
79Y26.5Very low33.4Very low213 Ų213142.9 Ų142.984%0.83579%0.791SS**  trans-102.6115.6163.6-107.9-95.1000106.2K77 A81K77-Y79 PolarHBondContact O-N 3.13Å; Y79-A81 VanDerWaalsContact C-N 3.31Å; Y79-A81 PolarHBondContact O-N 3.01Å
80C26.2Very low34.4Very low126 Ų126138.8 Ų138.885%0.85179%0.787SS**  trans-56.398.1166.2-72.70000108.1S82C80-S82 PolarHBondContact O-N 2.88Å; C80-S82 VanDerWaalsContact O-N 3.09Å
81A32.9Very low35.3Very low87 Ų87140.6 Ų140.672%0.71979%0.786SS**  trans-63.1113168.500000106Y79 D83Y79-A81 VanDerWaalsContact C-N 3.31Å; Y79-A81 PolarHBondContact O-N 3.01Å; A81-D83 VanDerWaalsContact C-N 3.26Å; A81-D83 PolarHBondContact O-N 3.42Å
82S37Very low36.5Very low96 Ų96140.1 Ų140.167%0.67177%0.773SS**  trans-62.399.5163.462.20000105.9C80 K84C80-S82 PolarHBondContact O-N 2.88Å; C80-S82 VanDerWaalsContact O-N 3.09Å; S82-K84 PolarHBondContact O-N 3.41Å
83D37.4Very low37.7Very low145 Ų145143.2 Ų143.278%0.77577%0.765SS**  trans-58.691.7161.3-96.5-23.2000105.9A81 D85A81-D83 VanDerWaalsContact C-N 3.26Å; A81-D83 PolarHBondContact O-N 3.42Å; D83-D85 PolarHBondContact O-N 3.26Å
84K39.6Very low38.8Very low174 Ų174149.2 Ų149.276%0.75776%0.764SS**  trans-68.891.2155.4-75.2-176.2178.1178.50103.3S82 I86S82-K84 PolarHBondContact O-N 3.41Å; K84-I86 PolarHBondContact O-N 2.9Å
85D38.7Very low40Very low137 Ų137144.9 Ų144.973%0.73375%0.75SS**  trans-4897160.9-81.9-34.5000106.4D83 V87D83-D85 PolarHBondContact O-N 3.26Å; D85-V87 HydrophobicContact CB-CG2 4.41Å; D85-V87 PolarHBondContact O-N 3.03Å
86I43.1Very low41.7Very low152 Ų152143.9 Ų143.978%0.77974%0.736SS**  trans-70.689.1166.9-62.3176.4000103.1K84 E88K84-I86 PolarHBondContact O-N 2.9Å; I86-E88 PolarHBondContact O-N 2.97Å
87V41.7Very low43.5Very low112 Ų112142.5 Ų142.568%0.67972%0.723SS**  trans-65.896.8166.7-175.80000105D85 V89D85-V87 HydrophobicContact CB-CG2 4.41Å; D85-V87 PolarHBondContact O-N 3.03Å; V87-V89 HydrophobicContact CG1-CG2 3.98Å; V87-V89 PolarHBondContact O-N 3.43Å
88E43.6Very low46Very low166 Ų166140.4 Ų140.478%0.77671%0.71SS**  trans-66.692.1168.5-162.4174-155.800106.5I86 V90I86-E88 PolarHBondContact O-N 2.97Å; E88-V90 HydrophobicContact CG-CG2 4.24Å; E88-V90 PolarHBondContact O-N 2.91Å
89V43.5Very low48.5Very low118 Ų118132.9 Ų132.972%0.71568%0.678SS**  trans-71.184.6172.4-177.90000106.2V87 R91V87-V89 HydrophobicContact CG1-CG2 3.98Å; V87-V89 PolarHBondContact O-N 3.43Å; V89-R91 PolarHBondContact O-N 3.01Å
90V49.6Very low51.3Low104 Ų104123.9 Ų123.963%0.6365%0.646SS**  trans-66.293.7165.7-177.50000106E88 T92E88-V90 HydrophobicContact CG-CG2 4.24Å; E88-V90 PolarHBondContact O-N 2.91Å; V90-T92 HydrophobicContact CG1-CG2 4.37Å; V90-T92 PolarHBondContact O-N 3.48Å
91R46Very low54.3Low208 Ų208122.1 Ų122.179%0.78563%0.632SS**  trans-68.691.9169.8-162.4178.6-169.8148.41.1105.7V89 E93V89-R91 PolarHBondContact O-N 3.01Å; R91-E93 PolarHBondContact O-N 3.22Å
92T53.1Low57.1Low95 Ų95123.5 Ų123.558%0.58362%0.619SS**  trans-63.691.416643.50000106.8V90 Y94V90-T92 HydrophobicContact CG1-CG2 4.37Å; V90-T92 PolarHBondContact O-N 3.48Å; T92-Y94 VanDerWaalsContact C-N 3.33Å; T92-Y94 PolarHBondContact O-N 3.34Å
93E51Low59.7Low147 Ų147120.1 Ų120.169%0.68760%0.596SS**  trans-63.6102163-70.6-169.4167.800106.1R91 V95R91-E93 PolarHBondContact O-N 3.22Å; E93-V95 HydrophobicContact CB-CG2 4.21Å; E93-V95 PolarHBondContact O-N 3.38Å
94Y48.8Very low62.1Low208 Ų208121.4 Ų121.482%0.81660%0.603SS**  trans-67.383.2166-77.3-86.7000107.3T92 Y96T92-Y94 VanDerWaalsContact C-N 3.33Å; T92-Y94 PolarHBondContact O-N 3.34Å; Y94-Y96 VanDerWaalsContact C-N 3.34Å; Y94-Y96 PolarHBondContact O-N 2.85Å
95V58.2Low64.5Low104 Ų104119 Ų11963%0.6360%0.602SS**  trans-69.898.5170.9-175.70000106.2E93 T97E93-V95 HydrophobicContact CB-CG2 4.21Å; E93-V95 PolarHBondContact O-N 3.38Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 HydrophobicContact CG1-CG2 3.92Å; V95-T97 PolarHBondContact O-N 3.43Å
96Y62.5Low67.1Low137 Ų137115 Ų11554%0.53758%0.581SS.*  trans-69.791.3175.6-172-100.2000109.3Y94 R98 H134Y94-Y96 VanDerWaalsContact C-N 3.34Å; Y94-Y96 PolarHBondContact O-N 2.85Å; Y96-R98 HydrophobicContact CD1-CG 4Å; Y96-R98 VanDerWaalsContact CE1-CD 3.49Å; Y96-R98 HydrophobicContact CE1-CG 3.4Å; Y96-R98 VanDerWaalsContact CE1-CG 3.4Å; Y96-H134 PolarHBondContact OH-CE1 3.35Å; Y96-H134 PolarHBondContact OH-ND1 2.81Å
97T73.5Confident69.7Low79 Ų79109.2 Ų109.249%0.48555%0.553SS.*  trans-83.6131.4176.754.60000110.5V95 P99V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 HydrophobicContact CG1-CG2 3.92Å; V95-T97 PolarHBondContact O-N 3.43Å; T97-P99 CarbonylContact O-C 3.59Å
98R80.3Confident72.3Confident144 Ų144104.5 Ų104.554%0.54352%0.524SS..SBendtrans-119.5132173.1-79.1-175.4-87.1-145.4-6.3110.2Y96 L133 H134Y96-R98 HydrophobicContact CD1-CG 4Å; Y96-R98 VanDerWaalsContact CE1-CD 3.49Å; Y96-R98 HydrophobicContact CE1-CG 3.4Å; Y96-R98 VanDerWaalsContact CE1-CG 3.4Å; R98-L133 HydrophobicContact CB-CD2 4.37Å; R98-H134 PolarHBondContact NH1-CE1 3.43Å
99P84.9Confident75Confident38 Ų3896.6 Ų96.625%0.24749%0.487CS..SBendcis-66.1161.6-6.429.4-36000113T97 L133 G161 L162T97-P99 CarbonylContact O-C 3.59Å; P99-L133 HydrophobicContact CB-CD2 4.28Å; P99-G161 WeakPolarHBondContact CD-O 3.5Å; P99-G161 VanDerWaalsContact CG-O 3.32Å; P99-G161 WeakPolarHBondContact CG-O 3.2Å; P99-L162 HydrophobicContact CB-CD2 4.28Å
100P86.1Confident77.6Confident25 Ų2591.3 Ų91.316%0.16246%0.455CS..PPolyproline II helixtrans-58.1149.9174.7-2232.8000111.4L133 P136P100-L133 WeakPolarHBondContact CD-O 3.34Å; P100-P136 HydrophobicContact CB-CB 4.09Å
101P88.2Confident79.9Confident88 Ų8886.3 Ų86.357%0.57143%0.425SS*.PPolyproline II helixtrans-60.4146.6175.626.7-34.3000110.9
102W92.4Very high82.5Confident116 Ų11676.4 Ų76.444%0.43939%0.387SS..PPolyproline II helixtrans-73.9140.6177-7851000110.4T108 N137 L138 H139 N163W102-T108 HydrophobicContact CH2-CG2 4.06Å; W102-T108 HydrophobicContact CZ3-CG2 4.28Å; W102-N137 WeakPolarHBondContact CA-OD1 3.37Å; W102-L138 WeakPolarHBondContact CZ2-O 3.45Å; W102-H139 HydrophobicContact CH2-CB 4.45Å; W102-N163 HydrophobicContact CH2-CB 4.36Å; W102-N163 WeakPolarHBondContact CH2-ND2 3.36Å; W102-N163 HydrophobicContact CZ2-CB 3.51Å; W102-N163 WeakPolarHBondContact CZ2-ND2 3.5Å
103S91.1Very high84.6Confident26 Ų2671.9 Ų71.918%0.18236%0.36CS..  trans-111.9129.8177.8171.50000110.8V105 L106 N137S103-V105 PolarHBondContact O-N 2.73Å; S103-V105 WeakPolarHBondContact OG-CG2 3.06Å; S103-V105 PolarHBondContact OG-N 2.88Å; S103-L106 PolarHBondContact O-N 3.39Å; S103-N137 PolarHBondContact N-OD1 2.91Å; S103-N137 PolarHBondContact O-ND2 3.19Å
104D88.1Confident86.9Confident172 Ų17265.4 Ų65.492%0.9233%0.33SS*.THydrogen-bonded Turntrans-68.5-15.4179.8-63.8-38.4000113.5
105V89.8Confident89.3Confident123 Ų12355.7 Ų55.775%0.74529%0.293SS*.THydrogen-bonded Turntrans-97.8-15.5-179.1-60.20000113.4S103S103-V105 PolarHBondContact O-N 2.73Å; S103-V105 WeakPolarHBondContact OG-CG2 3.06Å; S103-V105 PolarHBondContact OG-N 2.88Å
106L94.2Very high91.2Very high54 Ų5455.1 Ų55.128%0.28328%0.28SS..SBendtrans-89.3130.8-178.1-71-178.3000111.4S103 T108 P136 N137S103-L106 PolarHBondContact O-N 3.39Å; L106-T108 PolarHBondContact O-N 3.09Å; L106-P136 HydrophobicContact CD1-CB 4.32Å; L106-P136 HydrophobicContact CD1-CG 4.24Å; L106-N137 HydrophobicContact CB-CB 4.37Å; L106-N137 PolarHBondContact O-ND2 2.81Å
107P96.5Very high92.9Very high29 Ų2952.1 Ų52.119%0.18828%0.279CS..PPolyproline II helixtrans-56.2136.6170.1-24.533.5000112P211 I213 R232P107-P211 WeakPolarHBondContact CA-O 3.21Å; P107-P211 HydrophobicContact CB-CB 4.01Å; P107-P211 HydrophobicContact CB-CG 4.4Å; P107-P211 HydrophobicContact CG-CB 4.05Å; P107-P211 HydrophobicContact CG-CG 4.36Å; P107-I213 HydrophobicContact CB-CG1 4.49Å; P107-R232 HydrophobicContact CB-CG 4.13Å; P107-R232 HydrophobicContact CG-CG 4.17Å; P107-R232 PolarHBondContact O-NH1 3.22Å
108T97.7Very high94Very high14 Ų1450.3 Ų50.39%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-73.3132.7174.1-59.90000110.1W102 L106 N137 H139 P211 G212 I213W102-T108 HydrophobicContact CH2-CG2 4.06Å; W102-T108 HydrophobicContact CZ3-CG2 4.28Å; L106-T108 PolarHBondContact O-N 3.09Å; T108-N137 CarbonylContact C-O 3.55Å; T108-N137 VanDerWaalsContact CA-O 3.29Å; T108-N137 WeakPolarHBondContact CA-O 3.42Å; T108-H139 HydrophobicContact CG2-CB 3.9Å; T108-P211 PolarHBondContact N-O 3.44Å; T108-P211 VanDerWaalsContact N-O 3.15Å; T108-G212 CarbonylContact O-C 3.42Å; T108-G212 VanDerWaalsContact O-CA 3.25Å; T108-G212 WeakPolarHBondContact O-CA 3.33Å; T108-I213 PolarHBondContact O-N 3.32Å
109I98.7Very high94.9Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-98.4108.3172.4-53.1176.7000108.5I111 V135 N137 H139 I213 F228 M231 R232I109-I111 HydrophobicContact CG2-CD1 3.47Å; I109-I111 VanDerWaalsContact CG2-CD1 3.47Å; I109-I111 HydrophobicContact CG2-CG1 4.19Å; I109-I111 PolarHBondContact O-N 3.15Å; I109-V135 HydrophobicContact CD1-CG1 4.32Å; I109-N137 PolarHBondContact N-O 2.86Å; I109-H139 PolarHBondContact O-N 3.07Å; I109-I213 CarbonylContact C-O 3.55Å; I109-F228 HydrophobicContact CD1-CB 4.02Å; I109-F228 HydrophobicContact CD1-CD1 4.49Å; I109-F228 WeakPolarHBondContact CD1-O 3.27Å; I109-M231 HydrophobicContact CD1-CG 4.14Å; I109-M231 HydrophobicContact CD1-SD 4.43Å; I109-M231 HydrophobicContact CG2-SD 3.82Å; I109-R232 HydrophobicContact CD1-CB 4.35Å; I109-R232 HydrophobicContact CD1-CG 4.48Å
110H98.8Very high95.5Very high6 Ų645.9 Ų45.93%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-83.998.8173.8-56.6-73.9000109.6H139 I141 L200 F204 I213 I214 Y215H110-H139 WeakPolarHBondContact CA-O 3.5Å; H110-H139 AromaticContact ND1-CD2 3.64Å; H110-I141 HydrophobicContact CB-CD1 4.03Å; H110-L200 HydrophobicContact CB-CD2 4.36Å; H110-F204 AromaticContact CE1-CE2 3.92Å; H110-F204 AromaticContact CE1-CZ 3.57Å; H110-I213 WeakPolarHBondContact CB-O 3.45Å; H110-I213 PolarHBondContact N-O 3Å; H110-I214 HydrophobicContact CB-CG1 4.41Å; H110-I214 WeakPolarHBondContact O-CA 3.21Å; H110-Y215 PolarHBondContact O-N 3.22Å
111I98.9Very high96.1Very high0 Ų044.9 Ų44.90%025%0.245CC..EExtended strand (participates in β ladder)trans-85.2118.3177.9-54.9-64.5000109.1I109 F132 L138 H139 I141 Y215 A217 F228I109-I111 HydrophobicContact CG2-CD1 3.47Å; I109-I111 VanDerWaalsContact CG2-CD1 3.47Å; I109-I111 HydrophobicContact CG2-CG1 4.19Å; I109-I111 PolarHBondContact O-N 3.15Å; I111-F132 HydrophobicContact CB-CZ 4.49Å; I111-F132 HydrophobicContact CG1-CZ 4.47Å; I111-F132 HydrophobicContact CG2-CE1 4.48Å; I111-F132 HydrophobicContact CG2-CE2 3.87Å; I111-F132 HydrophobicContact CG2-CZ 3.61Å; I111-L138 HydrophobicContact CD1-CD1 4.38Å; I111-L138 HydrophobicContact CG1-CD1 3.77Å; I111-L138 HydrophobicContact CG1-CD2 4Å; I111-L138 HydrophobicContact CG1-CG 3.74Å; I111-H139 PolarHBondContact N-O 3.01Å; I111-I141 WeakPolarHBondContact O-CA 3.41Å; I111-I141 PolarHBondContact O-N 2.78Å; I111-Y215 HydrophobicContact CD1-CD1 3.89Å; I111-Y215 HydrophobicContact CD1-CG 4.49Å; I111-A217 HydrophobicContact CG2-CB 3.59Å; I111-F228 HydrophobicContact CD1-CD1 4.2Å; I111-F228 HydrophobicContact CD1-CE1 3.78Å
112I98.9Very high96.6Very high0 Ų043.4 Ų43.40%023%0.23CC..EExtended strand (participates in β ladder)trans-98.6110.6177.1-63174.8000108.6I141 I143 R193 A196 L200 I214 Y215 F216 A217I112-I141 WeakPolarHBondContact CA-O 3.45Å; I112-I141 HydrophobicContact CG1-CD1 4.36Å; I112-I143 HydrophobicContact CG2-CD1 3.74Å; I112-R193 HydrophobicContact CG2-CG 4.38Å; I112-A196 HydrophobicContact CB-CB 4.36Å; I112-A196 HydrophobicContact CD1-CB 3.73Å; I112-A196 HydrophobicContact CG1-CB 3.88Å; I112-A196 HydrophobicContact CG2-CB 3.56Å; I112-L200 HydrophobicContact CD1-CD1 3.96Å; I112-I214 HydrophobicContact CD1-CG2 3.46Å; I112-I214 VanDerWaalsContact CD1-CG2 3.46Å; I112-I214 HydrophobicContact CG1-CG2 4.25Å; I112-Y215 PolarHBondContact N-O 3.02Å; I112-F216 HydrophobicContact CB-CD1 3.79Å; I112-F216 HydrophobicContact CB-CE1 4.16Å; I112-F216 HydrophobicContact CD1-CD1 3.94Å; I112-F216 HydrophobicContact CD1-CE1 3.43Å; I112-F216 VanDerWaalsContact CD1-CE1 3.43Å; I112-F216 HydrophobicContact CD1-CZ 4.04Å; I112-F216 HydrophobicContact CG1-CD1 4.45Å; I112-F216 HydrophobicContact CG1-CE1 4.38Å; I112-F216 HydrophobicContact CG2-CD1 3.74Å; I112-F216 HydrophobicContact CG2-CE1 4Å; I112-A217 PolarHBondContact O-N 2.89Å
113T98.9Very high96.9Very high0 Ų040.6 Ų40.60%023%0.232CC..EExtended strand (participates in β ladder)trans-117.8101.4-179-60.20000111.1W140 I141 L142 I143 A217 D219T113-W140 VanDerWaalsContact CB-NE1 3.33Å; T113-W140 PolarHBondContact OG1-NE1 3.02Å; T113-I141 PolarHBondContact N-O 3.03Å; T113-L142 WeakPolarHBondContact O-CA 3.44Å; T113-I143 PolarHBondContact O-N 2.94Å; T113-A217 VanDerWaalsContact CA-O 3.28Å; T113-A217 WeakPolarHBondContact CA-O 3.28Å; T113-A217 WeakPolarHBondContact CB-O 3.09Å; T113-A217 WeakPolarHBondContact CG2-O 3.45Å; T113-A217 PolarHBondContact OG1-O 3.33Å; T113-D219 HydrophobicContact CG2-CB 3.83Å
114P98.7Very high97.3Very high11 Ų1139.6 Ų39.67%0.07122%0.224CC..EExtended strand (participates in β ladder)trans-72135.3167.131.4-32.6000109.9I143 Q192 R193P114-I143 WeakPolarHBondContact CA-O 3.32Å; P114-Q192 HydrophobicContact CB-CB 3.76Å; P114-Q192 HydrophobicContact CB-CG 4.39Å; P114-R193 HydrophobicContact CG-CG 4.31Å
115T98.6Very high97.8Very high4 Ų431.4 Ų31.43%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-137.1162.9175.1178.90000110.8R118 Q121 L142 I143 E144 D145 D219T115-R118 PolarHBondContact OG1-NH1 2.93Å; T115-Q121 PolarHBondContact OG1-NE2 3.11Å; T115-L142 HydrophobicContact CG2-CD1 4.38Å; T115-L142 HydrophobicContact CG2-CD2 3.47Å; T115-L142 VanDerWaalsContact CG2-CD2 3.47Å; T115-L142 HydrophobicContact CG2-CG 3.98Å; T115-I143 PolarHBondContact N-O 2.93Å; T115-E144 HydrophobicContact CG2-CG 3.89Å; T115-E144 CarbonylContact O-C 3.58Å; T115-E144 WeakPolarHBondContact O-CA 3.42Å; T115-D145 PolarHBondContact O-N 2.92Å; T115-D219 WeakPolarHBondContact CB-OD2 3.33Å; T115-D219 PolarHBondContact OG1-OD2 2.69Å
116Y98.2Very high98.3Very high92 Ų9228.4 Ų28.436%0.36116%0.162SC..  trans-147155.5171.972-79.4000111.3R118 R188Y116-R118 HydrophobicContact CD2-CB 4.31Å; Y116-R118 HydrophobicContact CE2-CB 3.83Å; Y116-R118 HydrophobicContact CE2-CG 4.29Å; Y116-R118 PolarHBondContact O-N 3Å; Y116-R118 PolarHBondContact O-NH1 3.24Å; Y116-R118 WeakPolarHBondContact OH-CD 3.33Å; Y116-R188 PolarHBondContact OH-NH1 3.04Å
117S98.1Very high98.5Very high74 Ų7430.1 Ų30.152%0.51717%0.165SC..  trans-66.3121.7180-53.60000112.5Q121S117-Q121 VanDerWaalsContact CA-OE1 3.26Å
118R97.6Very high98.5Very high41 Ų4128.9 Ų28.916%0.15516%0.157CC..SBendtrans-162.2161.8178.470.3-150.4-174.4-98.98.5109T115 Y116 V120 Q121 D219T115-R118 PolarHBondContact OG1-NH1 2.93Å; Y116-R118 HydrophobicContact CD2-CB 4.31Å; Y116-R118 HydrophobicContact CE2-CB 3.83Å; Y116-R118 HydrophobicContact CE2-CG 4.29Å; Y116-R118 PolarHBondContact O-N 3Å; Y116-R118 PolarHBondContact O-NH1 3.24Å; Y116-R118 WeakPolarHBondContact OH-CD 3.33Å; R118-V120 HydrophobicContact CG-CG2 3.95Å; R118-V120 PolarHBondContact O-N 2.88Å; R118-Q121 HydrophobicContact CG-CB 4.15Å; R118-Q121 VanDerWaalsContact O-CB 3.28Å; R118-Q121 WeakPolarHBondContact O-CB 3.22Å; R118-Q121 PolarHBondContact O-N 2.97Å; R118-D219 IonicContact CZ-OD1 3.71Å; R118-D219 IonicContact CZ-OD2 3.69Å; R118-D219 IonicContact NH1-OD1 3.57Å; R118-D219 IonicContact NH1-OD2 3.94Å; R118-D219 PolarHBondContact NH1-OD2 2.81Å; R118-D219 IonicContact NH2-OD1 3.8Å; R118-D219 PolarHBondContact NH2-OD1 2.82Å; R118-D219 IonicContact NH2-OD2 2.81Å; R118-D219 PolarHBondContact NH2-OD2 3.41Å
119P98.4Very high98.6Very high61 Ų6128.3 Ų28.340%0.39615%0.154SC..THydrogen-bonded Turntrans-53.5-33.8-174.8-30.636.9000115.5P340 L342P119-P340 HydrophobicContact CB-CG 4.07Å; P119-L342 HydrophobicContact CB-CD1 4.45Å; P119-L342 HydrophobicContact CG-CD1 4.27Å
120V98.4Very high98.6Very high27 Ų2732.8 Ų32.816%0.16418%0.177CC..THydrogen-bonded Turntrans-90.2-2.8-178.2-59.60000113.6R118 K122 A123 E124 T337 P340R118-V120 HydrophobicContact CG-CG2 3.95Å; R118-V120 PolarHBondContact O-N 2.88Å; V120-K122 PolarHBondContact O-N 3.14Å; V120-A123 PolarHBondContact O-N 3.27Å; V120-E124 HydrophobicContact CB-CG 4.13Å; V120-E124 HydrophobicContact CG2-CG 3.93Å; V120-E124 WeakPolarHBondContact O-CG 3.25Å; V120-E124 PolarHBondContact O-N 3.26Å; V120-T337 HydrophobicContact CB-CG2 4.28Å; V120-T337 HydrophobicContact CG1-CG2 3.9Å; V120-T337 HydrophobicContact CG2-CG2 4.39Å; V120-P340 HydrophobicContact CG1-CG 3.51Å
121Q98.8Very high98.6Very high5 Ų534.2 Ų34.22%0.02319%0.186CC..Hα-helixtrans-53.3-50.2-170.4-176.5-175.917.100112.7T115 S117 R118 A123 E124 L125T115-Q121 PolarHBondContact OG1-NE2 3.11Å; S117-Q121 VanDerWaalsContact CA-OE1 3.26Å; R118-Q121 HydrophobicContact CG-CB 4.15Å; R118-Q121 VanDerWaalsContact O-CB 3.28Å; R118-Q121 WeakPolarHBondContact O-CB 3.22Å; R118-Q121 PolarHBondContact O-N 2.97Å; Q121-A123 PolarHBondContact O-N 3.39Å; Q121-E124 WeakPolarHBondContact O-CB 3.46Å; Q121-E124 PolarHBondContact O-N 3.38Å; Q121-L125 HydrophobicContact CG-CD1 3.95Å; Q121-L125 HydrophobicContact CG-CG 4.39Å; Q121-L125 WeakPolarHBondContact O-CG 3.29Å; Q121-L125 PolarHBondContact O-N 2.93Å
122K98.8Very high98.5Very high56 Ų5634.2 Ų34.224%0.24319%0.186CC..Hα-helixtrans-64.2-43.1-177.1-170176.5176.11760111.4V120 E124 L125 T126 L152 L156 E356 I357V120-K122 PolarHBondContact O-N 3.14Å; K122-E124 VanDerWaalsContact C-N 3.33Å; K122-E124 PolarHBondContact O-N 2.83Å; K122-L125 PolarHBondContact O-N 3.19Å; K122-T126 VanDerWaalsContact O-CB 3.28Å; K122-T126 WeakPolarHBondContact O-CB 3.4Å; K122-T126 PolarHBondContact O-N 2.92Å; K122-T126 PolarHBondContact O-OG1 2.91Å; K122-L152 HydrophobicContact CB-CD1 4.34Å; K122-L152 HydrophobicContact CB-CD2 4.17Å; K122-L152 HydrophobicContact CG-CD2 4.35Å; K122-L156 HydrophobicContact CG-CD1 4.05Å; K122-E356 HydrophobicContact CD-CG 4.14Å; K122-E356 VanDerWaalsContact CE-OE1 3.28Å; K122-E356 WeakPolarHBondContact CE-OE1 3.48Å; K122-E356 IonicContact NZ-OE1 3.06Å; K122-E356 PolarHBondContact NZ-OE1 2.93Å; K122-I357 WeakPolarHBondContact CB-O 3.24Å; K122-I357 WeakPolarHBondContact CD-O 3.37Å
123A98.8Very high98.5Very high58 Ų5835.4 Ų35.448%0.47919%0.193SC..Hα-helixtrans-60.5-42.1175.900000112.3V120 Q121 T126 R127V120-A123 PolarHBondContact O-N 3.27Å; Q121-A123 PolarHBondContact O-N 3.39Å; A123-T126 PolarHBondContact O-N 3.03Å; A123-R127 PolarHBondContact O-N 3.39Å
124E98.8Very high98.4Very high4 Ų438.5 Ų38.52%0.01921%0.207CC..Hα-helixtrans-62.4-50.3177.4-65.3-74.3-167.900112V120 Q121 K122 T126 R127 I128 D220 T337V120-E124 HydrophobicContact CB-CG 4.13Å; V120-E124 HydrophobicContact CG2-CG 3.93Å; V120-E124 WeakPolarHBondContact O-CG 3.25Å; V120-E124 PolarHBondContact O-N 3.26Å; Q121-E124 WeakPolarHBondContact O-CB 3.46Å; Q121-E124 PolarHBondContact O-N 3.38Å; K122-E124 VanDerWaalsContact C-N 3.33Å; K122-E124 PolarHBondContact O-N 2.83Å; E124-T126 VanDerWaalsContact C-N 3.29Å; E124-T126 PolarHBondContact O-N 2.81Å; E124-R127 WeakPolarHBondContact O-CG 3.36Å; E124-R127 PolarHBondContact O-N 3.45Å; E124-R127 IonicContact OE1-NH2 2.96Å; E124-R127 PolarHBondContact OE1-NH2 3.11Å; E124-R127 IonicContact OE2-CZ 2.75Å; E124-R127 IonicContact OE2-NE 2.57Å; E124-R127 PolarHBondContact OE2-NE 3.04Å; E124-R127 IonicContact OE2-NH2 3.94Å; E124-R127 PolarHBondContact OE2-NH2 2.88Å; E124-I128 PolarHBondContact O-N 2.81Å; E124-I128 VanDerWaalsContact O-N 3.15Å; E124-D220 WeakPolarHBondContact OE2-CA 3.2Å; E124-T337 WeakPolarHBondContact OE1-CB 3.29Å; E124-T337 PolarHBondContact OE1-OG1 3.1Å
125L98.8Very high98.3Very high0 Ų038.3 Ų38.30%021%0.206CC..Hα-helixtrans-66-32.5177.2-65.6179.6000112.3Q121 K122 I128 A129 W140 L142 V153 L156 D219Q121-L125 HydrophobicContact CG-CD1 3.95Å; Q121-L125 HydrophobicContact CG-CG 4.39Å; Q121-L125 WeakPolarHBondContact O-CG 3.29Å; Q121-L125 PolarHBondContact O-N 2.93Å; K122-L125 PolarHBondContact O-N 3.19Å; L125-I128 WeakPolarHBondContact O-CG2 3.42Å; L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.39Å; L125-W140 HydrophobicContact CD2-CH2 4.27Å; L125-W140 HydrophobicContact CD2-CZ2 3.98Å; L125-L142 HydrophobicContact CD1-CD1 4.05Å; L125-L142 HydrophobicContact CD2-CD1 3.68Å; L125-L142 HydrophobicContact CG-CD1 4.49Å; L125-V153 HydrophobicContact CD1-CG2 3.89Å; L125-L156 HydrophobicContact CB-CD1 3.76Å; L125-L156 HydrophobicContact CB-CD2 4.06Å; L125-D219 HydrophobicContact CD2-CB 4.05Å
126T98.8Very high98.2Very high60 Ų6039.5 Ų39.537%0.36821%0.213SC..Hα-helixtrans-66.2-49.2176.8-60.40000111.1K122 A123 E124 I128 A129 N130K122-T126 VanDerWaalsContact O-CB 3.28Å; K122-T126 WeakPolarHBondContact O-CB 3.4Å; K122-T126 PolarHBondContact O-N 2.92Å; K122-T126 PolarHBondContact O-OG1 2.91Å; A123-T126 PolarHBondContact O-N 3.03Å; E124-T126 VanDerWaalsContact C-N 3.29Å; E124-T126 PolarHBondContact O-N 2.81Å; T126-I128 PolarHBondContact O-N 3.45Å; T126-A129 PolarHBondContact O-N 3.1Å; T126-N130 VanDerWaalsContact O-CG 3.26Å; T126-N130 PolarHBondContact O-N 3.39Å; T126-N130 PolarHBondContact O-ND2 3.03Å
127R98.6Very high98.2Very high91 Ų9135.3 Ų35.334%0.34320%0.197SC..Hα-helixtrans-67.3-35.9-178.266.9177.5-177.6161.12.6112.8A123 E124 T131 D220A123-R127 PolarHBondContact O-N 3.39Å; E124-R127 WeakPolarHBondContact O-CG 3.36Å; E124-R127 PolarHBondContact O-N 3.45Å; E124-R127 IonicContact OE1-NH2 2.96Å; E124-R127 PolarHBondContact OE1-NH2 3.11Å; E124-R127 IonicContact OE2-CZ 2.75Å; E124-R127 IonicContact OE2-NE 2.57Å; E124-R127 PolarHBondContact OE2-NE 3.04Å; E124-R127 IonicContact OE2-NH2 3.94Å; E124-R127 PolarHBondContact OE2-NH2 2.88Å; R127-T131 PolarHBondContact O-N 3.35Å; R127-T131 PolarHBondContact O-OG1 2.78Å; R127-D220 PolarHBondContact NH2-O 3.01Å
128I98.3Very high98.2Very high3 Ų332 Ų322%0.01517%0.174CC..Hα-helixtrans-72.7-38.9177.4-155.5-179.5000110.9E124 L125 T126 N130 T131 F132 W140 Y223E124-I128 PolarHBondContact O-N 2.81Å; E124-I128 VanDerWaalsContact O-N 3.15Å; L125-I128 WeakPolarHBondContact O-CG2 3.42Å; T126-I128 PolarHBondContact O-N 3.45Å; I128-N130 VanDerWaalsContact C-N 3.32Å; I128-N130 PolarHBondContact O-N 2.69Å; I128-T131 WeakPolarHBondContact O-CA 3.48Å; I128-T131 WeakPolarHBondContact O-CB 3.4Å; I128-T131 PolarHBondContact O-N 3.18Å; I128-F132 HydrophobicContact CD1-CE1 4.09Å; I128-F132 HydrophobicContact CD1-CE2 3.79Å; I128-F132 HydrophobicContact CD1-CZ 3.33Å; I128-F132 HydrophobicContact CG1-CD1 4.4Å; I128-F132 HydrophobicContact CG1-CD2 4.4Å; I128-F132 HydrophobicContact CG1-CE1 3.73Å; I128-F132 HydrophobicContact CG1-CE2 3.74Å; I128-F132 HydrophobicContact CG1-CZ 3.37Å; I128-F132 HydrophobicContact CG2-CE2 4.35Å; I128-F132 WeakPolarHBondContact O-CG 3.41Å; I128-F132 PolarHBondContact O-N 2.61Å; I128-W140 HydrophobicContact CG2-CH2 3.82Å; I128-W140 HydrophobicContact CG2-CZ2 3.61Å; I128-Y223 HydrophobicContact CD1-CD2 4.08Å; I128-Y223 HydrophobicContact CD1-CE2 3.51Å; I128-Y223 HydrophobicContact CG1-CD2 4.08Å; I128-Y223 HydrophobicContact CG1-CE2 4.01Å
129A98.6Very high98.2Very high2 Ų230.8 Ų30.82%0.01717%0.17CC..Hα-helixtrans-59.9-43173.300000111.7L125 T126 T131 F132 L133 W140 T160 L162L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.39Å; T126-A129 PolarHBondContact O-N 3.1Å; A129-T131 PolarHBondContact O-N 2.83Å; A129-F132 PolarHBondContact O-N 3.24Å; A129-F132 VanDerWaalsContact O-N 3.12Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 3.16Å; A129-W140 HydrophobicContact CB-CH2 4.05Å; A129-W140 HydrophobicContact CB-CZ3 3.81Å; A129-T160 HydrophobicContact CB-CG2 3.7Å; A129-L162 HydrophobicContact CB-CD1 4.21Å
130N98.4Very high98.3Very high93 Ų9327.9 Ų27.950%0.49715%0.151SC..Hα-helixtrans-56.5-35174.2-73.1-20.1000112.4T126 I128 H134T126-N130 VanDerWaalsContact O-CG 3.26Å; T126-N130 PolarHBondContact O-N 3.39Å; T126-N130 PolarHBondContact O-ND2 3.03Å; I128-N130 VanDerWaalsContact C-N 3.32Å; I128-N130 PolarHBondContact O-N 2.69Å; N130-H134 PolarHBondContact O-CD2 3.45Å
131T98.5Very high98.3Very high36 Ų3626.6 Ų26.622%0.22114%0.143CC..Hα-helixtrans-73.1-47174.9-56.80000111.3R127 I128 A129 L133 H134 L225 F228R127-T131 PolarHBondContact O-N 3.35Å; R127-T131 PolarHBondContact O-OG1 2.78Å; I128-T131 WeakPolarHBondContact O-CA 3.48Å; I128-T131 WeakPolarHBondContact O-CB 3.4Å; I128-T131 PolarHBondContact O-N 3.18Å; A129-T131 PolarHBondContact O-N 2.83Å; T131-L133 PolarHBondContact O-N 3.23Å; T131-H134 PolarHBondContact O-N 3.3Å; T131-H134 VanDerWaalsContact O-N 3.14Å; T131-L225 HydrophobicContact CG2-CD2 3.93Å; T131-F228 HydrophobicContact CG2-CE2 4.16Å
132F98.4Very high98.3Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-64.6-27.3-177.5-66.2-12.4000113.5I111 I128 A129 H134 V135 L138 W140 L162 F228I111-F132 HydrophobicContact CB-CZ 4.49Å; I111-F132 HydrophobicContact CG1-CZ 4.47Å; I111-F132 HydrophobicContact CG2-CE1 4.48Å; I111-F132 HydrophobicContact CG2-CE2 3.87Å; I111-F132 HydrophobicContact CG2-CZ 3.61Å; I128-F132 HydrophobicContact CD1-CE1 4.09Å; I128-F132 HydrophobicContact CD1-CE2 3.79Å; I128-F132 HydrophobicContact CD1-CZ 3.33Å; I128-F132 HydrophobicContact CG1-CD1 4.4Å; I128-F132 HydrophobicContact CG1-CD2 4.4Å; I128-F132 HydrophobicContact CG1-CE1 3.73Å; I128-F132 HydrophobicContact CG1-CE2 3.74Å; I128-F132 HydrophobicContact CG1-CZ 3.37Å; I128-F132 HydrophobicContact CG2-CE2 4.35Å; I128-F132 WeakPolarHBondContact O-CG 3.41Å; I128-F132 PolarHBondContact O-N 2.61Å; A129-F132 PolarHBondContact O-N 3.24Å; A129-F132 VanDerWaalsContact O-N 3.12Å; F132-H134 PolarHBondContact O-N 3.31Å; F132-V135 PolarHBondContact O-N 3.38Å; F132-L138 HydrophobicContact CB-CD1 3.84Å; F132-L138 HydrophobicContact CB-CD2 4.15Å; F132-L138 HydrophobicContact CD1-CD1 3.82Å; F132-L138 HydrophobicContact CD2-CD1 4.5Å; F132-L138 HydrophobicContact CD2-CD2 4.29Å; F132-L138 HydrophobicContact CG-CD1 3.8Å; F132-L138 HydrophobicContact CG-CD2 4.25Å; F132-W140 AromaticContact CD2-CD2 3.87Å; F132-W140 HydrophobicContact CD2-CD2 3.87Å; F132-W140 AromaticContact CD2-CE2 3.97Å; F132-W140 HydrophobicContact CD2-CE3 4.23Å; F132-W140 HydrophobicContact CD2-CG 4.1Å; F132-W140 HydrophobicContact CD2-CZ2 4.4Å; F132-W140 AromaticContact CE2-CD1 3.85Å; F132-W140 HydrophobicContact CE2-CD2 4Å; F132-W140 AromaticContact CE2-CE2 3.67Å; F132-W140 HydrophobicContact CE2-CG 4.11Å; F132-W140 HydrophobicContact CE2-CZ2 4.13Å; F132-W140 AromaticContact CE2-NE1 3.58Å; F132-L162 HydrophobicContact CB-CD1 3.92Å; F132-L162 HydrophobicContact CB-CD2 4.22Å; F132-F228 HydrophobicContact CD1-CE1 4.38Å; F132-F228 AromaticContact CD1-CZ 3.95Å; F132-F228 HydrophobicContact CD1-CZ 3.95Å; F132-F228 HydrophobicContact CE1-CE1 4.04Å; F132-F228 AromaticContact CE1-CZ 3.67Å; F132-F228 HydrophobicContact CE1-CZ 3.67Å
133L97.8Very high98.3Very high25 Ų2523.7 Ų23.713%0.13113%0.131CC..THydrogen-bonded Turntrans-61.5-8.6174.1-78.5169.4000114.5R98 P99 P100 A129 T131 T160 L162R98-L133 HydrophobicContact CB-CD2 4.37Å; P99-L133 HydrophobicContact CB-CD2 4.28Å; P100-L133 WeakPolarHBondContact CD-O 3.34Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 3.16Å; T131-L133 PolarHBondContact O-N 3.23Å; L133-T160 WeakPolarHBondContact CD2-O 3.1Å; L133-L162 HydrophobicContact CD2-CD2 3.77Å; L133-L162 HydrophobicContact CD2-CG 3.84Å; L133-L162 HydrophobicContact CG-CD1 4.43Å; L133-L162 HydrophobicContact CG-CD2 4.12Å; L133-L162 HydrophobicContact CG-CG 4.19Å
134H97.1Very high98.3Very high66 Ų6621 Ų2131%0.30611%0.108SC..THydrogen-bonded Turntrans-100.1-6.1174.5-66-86.2000113.5Y96 R98 N130 T131 F132 L225Y96-H134 PolarHBondContact OH-CE1 3.35Å; Y96-H134 PolarHBondContact OH-ND1 2.81Å; R98-H134 PolarHBondContact NH1-CE1 3.43Å; N130-H134 PolarHBondContact O-CD2 3.45Å; T131-H134 PolarHBondContact O-N 3.3Å; T131-H134 VanDerWaalsContact O-N 3.14Å; F132-H134 PolarHBondContact O-N 3.31Å; H134-L225 HydrophobicContact CB-CD1 3.78Å; H134-L225 HydrophobicContact CB-CD2 3.65Å; H134-L225 HydrophobicContact CB-CG 4.39Å
135V97.6Very high98.3Very high6 Ų622.1 Ų22.14%0.03611%0.114CC..  trans-101.3116.2-171.8-173.50000110I109 F132 L138 L225 F228I109-V135 HydrophobicContact CD1-CG1 4.32Å; F132-V135 PolarHBondContact O-N 3.38Å; V135-L138 HydrophobicContact CB-CB 4.12Å; V135-L138 HydrophobicContact CB-CD1 3.62Å; V135-L138 HydrophobicContact CG1-CB 4.09Å; V135-L138 HydrophobicContact CG1-CD1 3.84Å; V135-L138 HydrophobicContact CG2-CD1 4.02Å; V135-L225 HydrophobicContact CG2-CD2 4.34Å; V135-F228 HydrophobicContact CB-CG 4.47Å; V135-F228 HydrophobicContact CG1-CB 3.69Å; V135-F228 HydrophobicContact CG1-CD1 4.27Å; V135-F228 HydrophobicContact CG1-CG 3.91Å; V135-F228 HydrophobicContact CG2-CB 4.14Å; V135-F228 HydrophobicContact CG2-CD1 4.28Å; V135-F228 HydrophobicContact CG2-CD2 3.47Å; V135-F228 VanDerWaalsContact CG2-CD2 3.47Å; V135-F228 HydrophobicContact CG2-CE2 3.93Å; V135-F228 HydrophobicContact CG2-CG 3.68Å
136P96.4Very high98.2Very high29 Ų2923 Ų2319%0.18812%0.12CC..THydrogen-bonded Turntrans-69.4150.8176.528.4-33.3000111.1P100 L106 L138 R232P100-P136 HydrophobicContact CB-CB 4.09Å; L106-P136 HydrophobicContact CD1-CB 4.32Å; L106-P136 HydrophobicContact CD1-CG 4.24Å; P136-L138 PolarHBondContact O-N 2.86Å; P136-R232 PolarHBondContact O-NH1 3Å; P136-R232 PolarHBondContact O-NH2 2.89Å
137N97.3Very high98.2Very high5 Ų527 Ų273%0.02714%0.135CC..THydrogen-bonded Turntrans5239.2179.5-6749.9000113.2W102 S103 L106 T108 I109W102-N137 WeakPolarHBondContact CA-OD1 3.37Å; S103-N137 PolarHBondContact N-OD1 2.91Å; S103-N137 PolarHBondContact O-ND2 3.19Å; L106-N137 HydrophobicContact CB-CB 4.37Å; L106-N137 PolarHBondContact O-ND2 2.81Å; T108-N137 CarbonylContact C-O 3.55Å; T108-N137 VanDerWaalsContact CA-O 3.29Å; T108-N137 WeakPolarHBondContact CA-O 3.42Å; I109-N137 PolarHBondContact N-O 2.86Å
138L98.3Very high98.2Very high5 Ų532.1 Ų32.13%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-93.9128.9175.2-172.4153.5000109.8W102 I111 F132 V135 P136 W140W102-L138 WeakPolarHBondContact CZ2-O 3.45Å; I111-L138 HydrophobicContact CD1-CD1 4.38Å; I111-L138 HydrophobicContact CG1-CD1 3.77Å; I111-L138 HydrophobicContact CG1-CD2 4Å; I111-L138 HydrophobicContact CG1-CG 3.74Å; F132-L138 HydrophobicContact CB-CD1 3.84Å; F132-L138 HydrophobicContact CB-CD2 4.15Å; F132-L138 HydrophobicContact CD1-CD1 3.82Å; F132-L138 HydrophobicContact CD2-CD1 4.5Å; F132-L138 HydrophobicContact CD2-CD2 4.29Å; F132-L138 HydrophobicContact CG-CD1 3.8Å; F132-L138 HydrophobicContact CG-CD2 4.25Å; V135-L138 HydrophobicContact CB-CB 4.12Å; V135-L138 HydrophobicContact CB-CD1 3.62Å; V135-L138 HydrophobicContact CG1-CB 4.09Å; V135-L138 HydrophobicContact CG1-CD1 3.84Å; V135-L138 HydrophobicContact CG2-CD1 4.02Å; P136-L138 PolarHBondContact O-N 2.86Å; L138-W140 HydrophobicContact CD2-CB 3.95Å
139H98.6Very high98.2Very high15 Ų1538.8 Ų38.87%0.06918%0.179CC..EExtended strand (participates in β ladder)trans-113114.5169.4-178.258.1000109.8W102 T108 I109 H110 I111 I141 N163 Y164 T165 W199W102-H139 HydrophobicContact CH2-CB 4.45Å; T108-H139 HydrophobicContact CG2-CB 3.9Å; I109-H139 PolarHBondContact O-N 3.07Å; H110-H139 WeakPolarHBondContact CA-O 3.5Å; H110-H139 AromaticContact ND1-CD2 3.64Å; I111-H139 PolarHBondContact N-O 3.01Å; H139-I141 VanDerWaalsContact CD2-CG1 3.48Å; H139-I141 WeakPolarHBondContact CD2-CG1 3.42Å; H139-N163 PolarHBondContact CE1-OD1 3.38Å; H139-N163 VanDerWaalsContact CE1-OD1 3.31Å; H139-N163 PolarHBondContact ND1-OD1 2.76Å; H139-Y164 VanDerWaalsContact CE1-C 3.43Å; H139-T165 PolarHBondContact CE1-OG1 2.87Å; H139-T165 PolarHBondContact NE2-OG1 3.41Å; H139-W199 AromaticContact NE2-CH2 3.48Å; H139-W199 WeakPolarHBondContact NE2-CH2 3.16Å; H139-W199 AromaticContact NE2-CZ3 3.98Å
140W98.9Very high98.2Very high0 Ų039.9 Ų39.90%019%0.186CC..EExtended strand (participates in β ladder)trans-92.3106-176.1-168.515.9000111.7T113 L125 I128 A129 F132 L138 L142 L156 L157 L162 N163 Y164 T165T113-W140 VanDerWaalsContact CB-NE1 3.33Å; T113-W140 PolarHBondContact OG1-NE1 3.02Å; L125-W140 HydrophobicContact CD2-CH2 4.27Å; L125-W140 HydrophobicContact CD2-CZ2 3.98Å; I128-W140 HydrophobicContact CG2-CH2 3.82Å; I128-W140 HydrophobicContact CG2-CZ2 3.61Å; A129-W140 HydrophobicContact CB-CH2 4.05Å; A129-W140 HydrophobicContact CB-CZ3 3.81Å; F132-W140 AromaticContact CD2-CD2 3.87Å; F132-W140 HydrophobicContact CD2-CD2 3.87Å; F132-W140 AromaticContact CD2-CE2 3.97Å; F132-W140 HydrophobicContact CD2-CE3 4.23Å; F132-W140 HydrophobicContact CD2-CG 4.1Å; F132-W140 HydrophobicContact CD2-CZ2 4.4Å; F132-W140 AromaticContact CE2-CD1 3.85Å; F132-W140 HydrophobicContact CE2-CD2 4Å; F132-W140 AromaticContact CE2-CE2 3.67Å; F132-W140 HydrophobicContact CE2-CG 4.11Å; F132-W140 HydrophobicContact CE2-CZ2 4.13Å; F132-W140 AromaticContact CE2-NE1 3.58Å; L138-W140 HydrophobicContact CD2-CB 3.95Å; W140-L142 HydrophobicContact CH2-CD1 4.18Å; W140-L142 HydrophobicContact CZ2-CD1 3.77Å; W140-L156 HydrophobicContact CH2-CD2 4.48Å; W140-L156 HydrophobicContact CZ3-CD2 4.49Å; W140-L157 HydrophobicContact CD2-CD2 4.16Å; W140-L157 HydrophobicContact CE3-CD2 3.53Å; W140-L157 HydrophobicContact CH2-CD2 4.25Å; W140-L157 HydrophobicContact CZ3-CD2 3.58Å; W140-L162 HydrophobicContact CE3-CD1 3.71Å; W140-L162 HydrophobicContact CZ3-CD1 4.02Å; W140-N163 PolarHBondContact N-O 2.88Å; W140-Y164 CarbonylContact O-C 3.54Å; W140-Y164 WeakPolarHBondContact O-CA 3.41Å; W140-Y164 VanDerWaalsContact O-CB 3.29Å; W140-Y164 WeakPolarHBondContact O-CB 3.29Å; W140-T165 PolarHBondContact O-N 3.31Å
141I98.9Very high98.2Very high0 Ų040.7 Ų40.70%020%0.196CC..EExtended strand (participates in β ladder)trans-94.298.5175.8-49.5171.4000107.9H110 I111 I112 T113 H139 I143 T165 L167 A196 W199 L200H110-I141 HydrophobicContact CB-CD1 4.03Å; I111-I141 WeakPolarHBondContact O-CA 3.41Å; I111-I141 PolarHBondContact O-N 2.78Å; I112-I141 WeakPolarHBondContact CA-O 3.45Å; I112-I141 HydrophobicContact CG1-CD1 4.36Å; T113-I141 PolarHBondContact N-O 3.03Å; H139-I141 VanDerWaalsContact CD2-CG1 3.48Å; H139-I141 WeakPolarHBondContact CD2-CG1 3.42Å; I141-I143 HydrophobicContact CG2-CD1 3.96Å; I141-I143 HydrophobicContact CG2-CG1 4.3Å; I141-I143 VanDerWaalsContact O-CD1 3.26Å; I141-I143 WeakPolarHBondContact O-CD1 3.24Å; I141-T165 WeakPolarHBondContact CA-O 3.28Å; I141-T165 HydrophobicContact CG2-CG2 4.37Å; I141-L167 HydrophobicContact CG2-CD1 4.07Å; I141-A196 HydrophobicContact CG2-CB 4.27Å; I141-W199 HydrophobicContact CD1-CE3 3.86Å; I141-W199 HydrophobicContact CD1-CZ3 3.53Å; I141-W199 HydrophobicContact CG1-CZ3 4.1Å; I141-L200 HydrophobicContact CD1-CD1 4.41Å; I141-L200 HydrophobicContact CD1-CD2 3.82Å; I141-L200 HydrophobicContact CD1-CG 4.12Å
142L98.9Very high98.2Very high0 Ų040.4 Ų40.40%019%0.193CC..EExtended strand (participates in β ladder)trans-99.8127.1-179.7-173.3158.5000110T113 T115 L125 W140 E144 V153 L157 T165 L167T113-L142 WeakPolarHBondContact O-CA 3.44Å; T115-L142 HydrophobicContact CG2-CD1 4.38Å; T115-L142 HydrophobicContact CG2-CD2 3.47Å; T115-L142 VanDerWaalsContact CG2-CD2 3.47Å; T115-L142 HydrophobicContact CG2-CG 3.98Å; L125-L142 HydrophobicContact CD1-CD1 4.05Å; L125-L142 HydrophobicContact CD2-CD1 3.68Å; L125-L142 HydrophobicContact CG-CD1 4.49Å; W140-L142 HydrophobicContact CH2-CD1 4.18Å; W140-L142 HydrophobicContact CZ2-CD1 3.77Å; L142-E144 HydrophobicContact CD2-CG 3.86Å; L142-V153 HydrophobicContact CD1-CG1 4.06Å; L142-V153 HydrophobicContact CD2-CG1 3.45Å; L142-V153 VanDerWaalsContact CD2-CG1 3.45Å; L142-V153 HydrophobicContact CG-CG1 4.41Å; L142-L157 HydrophobicContact CB-CD1 4.24Å; L142-L157 HydrophobicContact CB-CD2 4.5Å; L142-L157 HydrophobicContact CD1-CD1 4.3Å; L142-L157 HydrophobicContact CD1-CD2 4.04Å; L142-L157 HydrophobicContact CD1-CG 4.41Å; L142-L157 HydrophobicContact CD2-CD1 4.49Å; L142-T165 PolarHBondContact N-O 3.28Å; L142-L167 PolarHBondContact O-N 3.04Å
143I98.9Very high98.2Very high0 Ų040.4 Ų40.40%019%0.193CC..EExtended strand (participates in β ladder)trans-123.9113.3-175.4-47.993.1000110.2I112 T113 P114 T115 I141 L167 V169 Q192 L195 A196I112-I143 HydrophobicContact CG2-CD1 3.74Å; T113-I143 PolarHBondContact O-N 2.94Å; P114-I143 WeakPolarHBondContact CA-O 3.32Å; T115-I143 PolarHBondContact N-O 2.93Å; I141-I143 HydrophobicContact CG2-CD1 3.96Å; I141-I143 HydrophobicContact CG2-CG1 4.3Å; I141-I143 VanDerWaalsContact O-CD1 3.26Å; I141-I143 WeakPolarHBondContact O-CD1 3.24Å; I143-L167 WeakPolarHBondContact CA-O 3.37Å; I143-L167 HydrophobicContact CB-CB 4.42Å; I143-L167 HydrophobicContact CG1-CB 4.03Å; I143-L167 HydrophobicContact CG1-CD1 4.16Å; I143-L167 HydrophobicContact CG2-CB 4.13Å; I143-V169 HydrophobicContact CG2-CG1 4.16Å; I143-Q192 HydrophobicContact CB-CB 3.9Å; I143-Q192 HydrophobicContact CB-CG 4.34Å; I143-Q192 HydrophobicContact CG2-CB 3.64Å; I143-Q192 HydrophobicContact CG2-CG 3.79Å; I143-L195 HydrophobicContact CG2-CD2 3.91Å; I143-A196 HydrophobicContact CD1-CB 3.73Å; I143-A196 HydrophobicContact CG1-CB 4.23Å
144E98.8Very high98.2Very high1 Ų141.8 Ų41.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-80.9134.9177.7-60.9-168.786.100112T115 L142 S146 R149 T150 V153 H166 L167 N168 V169T115-E144 HydrophobicContact CG2-CG 3.89Å; T115-E144 CarbonylContact O-C 3.58Å; T115-E144 WeakPolarHBondContact O-CA 3.42Å; L142-E144 HydrophobicContact CD2-CG 3.86Å; E144-S146 VanDerWaalsContact CB-OG 3.24Å; E144-S146 WeakPolarHBondContact CB-OG 3.26Å; E144-S146 PolarHBondContact O-N 3.29Å; E144-R149 VanDerWaalsContact OE2-CA 3.3Å; E144-R149 WeakPolarHBondContact OE2-CA 3.43Å; E144-T150 WeakPolarHBondContact OE1-CB 3.1Å; E144-T150 WeakPolarHBondContact OE1-CG2 3.4Å; E144-T150 PolarHBondContact OE1-OG1 3.41Å; E144-T150 PolarHBondContact OE2-N 2.75Å; E144-T150 PolarHBondContact OE2-OG1 3.2Å; E144-V153 HydrophobicContact CG-CB 4.47Å; E144-V153 HydrophobicContact CG-CG1 4.25Å; E144-V153 HydrophobicContact CG-CG2 4.28Å; E144-V153 WeakPolarHBondContact OE1-CG2 3.37Å; E144-H166 IonicContact OE2-CD2 2.67Å; E144-H166 IonicContact OE2-CE1 3.42Å; E144-H166 PolarHBondContact OE2-CE1 3.04Å; E144-H166 IonicContact OE2-NE2 2.67Å; E144-H166 PolarHBondContact OE2-NE2 3.47Å; E144-L167 PolarHBondContact N-O 3.06Å; E144-N168 HydrophobicContact CB-CB 4.17Å; E144-N168 CarbonylContact O-C 3.6Å; E144-N168 WeakPolarHBondContact O-CA 3.17Å; E144-V169 PolarHBondContact O-N 3.12Å
145D98.3Very high98.3Very high28 Ų2840 Ų4015%0.1520%0.197CC..SBendtrans-75.772.5161.9-171.5-16.9000109.6T115 V169 T171 K176 Q192T115-D145 PolarHBondContact O-N 2.92Å; D145-V169 WeakPolarHBondContact CA-O 3.43Å; D145-T171 VanDerWaalsContact CG-OG1 3.29Å; D145-T171 PolarHBondContact OD1-N 2.86Å; D145-T171 PolarHBondContact OD1-OG1 2.94Å; D145-T171 VanDerWaalsContact OD2-CB 3.29Å; D145-T171 WeakPolarHBondContact OD2-CB 3.43Å; D145-T171 PolarHBondContact OD2-OG1 2.73Å; D145-K176 VanDerWaalsContact CG-NZ 3.3Å; D145-K176 WeakPolarHBondContact OD1-CE 3.14Å; D145-K176 IonicContact OD1-NZ 3.63Å; D145-K176 PolarHBondContact OD1-NZ 2.75Å; D145-K176 WeakPolarHBondContact OD2-CE 3.34Å; D145-K176 IonicContact OD2-NZ 2.77Å; D145-K176 PolarHBondContact OD2-NZ 3.04Å; D145-Q192 HydrophobicContact CB-CG 4.39Å
146S98Very high98.4Very high17 Ų1740.3 Ų40.312%0.11920%0.198CC..SBendtrans-151.7156.2-176.867.20000111.5E144 R148 N168 V169 E170E144-S146 VanDerWaalsContact CB-OG 3.24Å; E144-S146 WeakPolarHBondContact CB-OG 3.26Å; E144-S146 PolarHBondContact O-N 3.29Å; S146-R148 WeakPolarHBondContact CB-O 3.2Å; S146-R148 PolarHBondContact O-N 3.22Å; S146-R148 PolarHBondContact OG-O 2.97Å; S146-N168 PolarHBondContact O-ND2 2.9Å; S146-V169 CarbonylContact O-C 3.59Å; S146-E170 PolarHBondContact O-N 3.42Å
147Q97.6Very high98.5Very high146 Ų14638.9 Ų38.968%0.68219%0.189SC*.SBendtrans-67.4-26.3175.6-69.3-179.97.300113N168 E170Q147-N168 PolarHBondContact O-ND2 2.73Å; Q147-E170 VanDerWaalsContact CD-OE2 3.32Å; Q147-E170 HydrophobicContact CG-CB 4.01Å; Q147-E170 HydrophobicContact CG-CG 4.26Å; Q147-E170 WeakPolarHBondContact CG-OE2 3.4Å; Q147-E170 PolarHBondContact NE2-OE2 3.45Å
148R98.2Very high98.5Very high198 Ų19846.3 Ų46.375%0.74722%0.217SC*.SBendtrans-147151.5-178.756.2-177.8160.1177.4-4.8109.7S146 T150 N168S146-R148 WeakPolarHBondContact CB-O 3.2Å; S146-R148 PolarHBondContact O-N 3.22Å; S146-R148 PolarHBondContact OG-O 2.97Å; R148-T150 PolarHBondContact O-N 3.34Å; R148-N168 WeakPolarHBondContact CA-ND2 3.44Å; R148-N168 PolarHBondContact N-ND2 2.86Å
149R98.6Very high98.4Very high143 Ų14352.8 Ų52.854%0.5425%0.247SC..  trans-53.2130.2167.9-67.2-176.5-65.2-1792110.3E144 H166 N168E144-R149 VanDerWaalsContact OE2-CA 3.3Å; E144-R149 WeakPolarHBondContact OE2-CA 3.43Å; R149-H166 VanDerWaalsContact CB-CE1 3.48Å; R149-H166 WeakPolarHBondContact CB-CE1 3.26Å; R149-H166 WeakPolarHBondContact CD-O 3.45Å; R149-N168 HydrophobicContact CG-CB 4.27Å
150T98.6Very high98.3Very high25 Ų2553.3 Ų53.315%0.15325%0.251CS..  trans-86.1147.2-178.165.90000111E144 R148 L152 V153 T154E144-T150 WeakPolarHBondContact OE1-CB 3.1Å; E144-T150 WeakPolarHBondContact OE1-CG2 3.4Å; E144-T150 PolarHBondContact OE1-OG1 3.41Å; E144-T150 PolarHBondContact OE2-N 2.75Å; E144-T150 PolarHBondContact OE2-OG1 3.2Å; R148-T150 PolarHBondContact O-N 3.34Å; T150-L152 VanDerWaalsContact C-N 3.28Å; T150-L152 PolarHBondContact O-N 3.12Å; T150-V153 PolarHBondContact O-N 2.93Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.49Å; T150-V153 PolarHBondContact OG1-N 3.39Å; T150-T154 WeakPolarHBondContact O-CB 3.44Å; T150-T154 PolarHBondContact O-N 2.98Å; T150-T154 PolarHBondContact O-OG1 2.76Å
151P98.4Very high98.1Very high110 Ų11055.5 Ų55.571%0.71427%0.274SS*.Hα-helixtrans-57.2-40.8175.1-26.935.9000113V153 T154 S155P151-V153 PolarHBondContact O-N 3.24Å; P151-T154 PolarHBondContact O-N 3.45Å; P151-S155 PolarHBondContact O-N 2.81Å
152L98.6Very high98Very high30 Ų3056 Ų5616%0.15728%0.277CS..Hα-helixtrans-53.6-56.8177.8-176.8159.5000111.6K122 T150 T154 S155 L156 E356K122-L152 HydrophobicContact CB-CD1 4.34Å; K122-L152 HydrophobicContact CB-CD2 4.17Å; K122-L152 HydrophobicContact CG-CD2 4.35Å; T150-L152 VanDerWaalsContact C-N 3.28Å; T150-L152 PolarHBondContact O-N 3.12Å; L152-T154 VanDerWaalsContact C-N 3.34Å; L152-T154 PolarHBondContact O-N 3.45Å; L152-S155 PolarHBondContact O-N 3.46Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 PolarHBondContact O-N 3.16Å; L152-E356 VanDerWaalsContact CA-OE2 3.27Å; L152-E356 WeakPolarHBondContact CA-OE2 3.25Å; L152-E356 VanDerWaalsContact CB-OE2 3.25Å; L152-E356 WeakPolarHBondContact CB-OE2 3.29Å; L152-E356 HydrophobicContact CD1-CG 3.75Å; L152-E356 HydrophobicContact CG-CG 4.09Å; L152-E356 WeakPolarHBondContact CG-OE2 3.37Å
153V98.7Very high98Very high0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-68.5-37.2-178.4174.20000111.3L125 L142 E144 T150 P151 S155 L156 L157 H166L125-V153 HydrophobicContact CD1-CG2 3.89Å; L142-V153 HydrophobicContact CD1-CG1 4.06Å; L142-V153 HydrophobicContact CD2-CG1 3.45Å; L142-V153 VanDerWaalsContact CD2-CG1 3.45Å; L142-V153 HydrophobicContact CG-CG1 4.41Å; E144-V153 HydrophobicContact CG-CB 4.47Å; E144-V153 HydrophobicContact CG-CG1 4.25Å; E144-V153 HydrophobicContact CG-CG2 4.28Å; E144-V153 WeakPolarHBondContact OE1-CG2 3.37Å; T150-V153 PolarHBondContact O-N 2.93Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.49Å; T150-V153 PolarHBondContact OG1-N 3.39Å; P151-V153 PolarHBondContact O-N 3.24Å; V153-S155 PolarHBondContact O-N 3.23Å; V153-L156 PolarHBondContact O-N 2.6Å; V153-L157 HydrophobicContact CG1-CD1 3.78Å; V153-L157 HydrophobicContact CG1-CG 4.2Å; V153-L157 WeakPolarHBondContact O-CB 3.36Å; V153-L157 WeakPolarHBondContact O-CG 3.49Å; V153-L157 PolarHBondContact O-N 2.92Å; V153-H166 WeakPolarHBondContact CG1-NE2 3.35Å
154T98.6Very high98Very high53 Ų5362.8 Ų62.833%0.32531%0.308SS..Hα-helixtrans-60.8-45.8177.5-54.70000111.2T150 P151 L152 R158 H166T150-T154 WeakPolarHBondContact O-CB 3.44Å; T150-T154 PolarHBondContact O-N 2.98Å; T150-T154 PolarHBondContact O-OG1 2.76Å; P151-T154 PolarHBondContact O-N 3.45Å; L152-T154 VanDerWaalsContact C-N 3.34Å; L152-T154 PolarHBondContact O-N 3.45Å; T154-R158 WeakPolarHBondContact O-CB 3.49Å; T154-R158 PolarHBondContact O-N 3.09Å; T154-H166 PolarHBondContact OG1-CE1 3.02Å; T154-H166 VanDerWaalsContact OG1-CE1 3.29Å
155S98.4Very high98Very high28 Ų2863.9 Ų63.920%0.19632%0.315CS..Hα-helixtrans-69.2-46179.1-150.10000111.2P151 L152 V153 L157 R158 E159P151-S155 PolarHBondContact O-N 2.81Å; L152-S155 PolarHBondContact O-N 3.46Å; V153-S155 PolarHBondContact O-N 3.23Å; S155-L157 PolarHBondContact O-N 3.49Å; S155-R158 PolarHBondContact O-N 3.42Å; S155-R158 PolarHBondContact OG-NH2 3.41Å; S155-E159 WeakPolarHBondContact O-CB 3.33Å; S155-E159 VanDerWaalsContact O-CG 3.28Å; S155-E159 WeakPolarHBondContact O-CG 3.32Å; S155-E159 PolarHBondContact O-N 2.91Å; S155-E159 PolarHBondContact OG-OE1 3.44Å
156L98.6Very high98Very high13 Ų1363.2 Ų63.27%0.06831%0.311CS..Hα-helixtrans-55-51.9177.9-176.7152.7000111.3K122 L125 W140 L152 V153 R158 E159 T160K122-L156 HydrophobicContact CG-CD1 4.05Å; L125-L156 HydrophobicContact CB-CD1 3.76Å; L125-L156 HydrophobicContact CB-CD2 4.06Å; W140-L156 HydrophobicContact CH2-CD2 4.48Å; W140-L156 HydrophobicContact CZ3-CD2 4.49Å; L152-L156 WeakPolarHBondContact O-CB 3.32Å; L152-L156 PolarHBondContact O-N 3.16Å; V153-L156 PolarHBondContact O-N 2.6Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 2.97Å; L156-E159 PolarHBondContact O-N 3.37Å; L156-T160 HydrophobicContact CD2-CG2 4.15Å; L156-T160 VanDerWaalsContact O-CG2 3.29Å; L156-T160 WeakPolarHBondContact O-CG2 3.46Å; L156-T160 PolarHBondContact O-N 2.9Å; L156-T160 VanDerWaalsContact O-N 3.12Å
157L98.5Very high98Very high0 Ų063.9 Ų63.90%031%0.312CS..Hα-helixtrans-60.2-44.3-179.3-73.7173000111.9W140 L142 V153 S155 E159 T160 Y164 H166W140-L157 HydrophobicContact CD2-CD2 4.16Å; W140-L157 HydrophobicContact CE3-CD2 3.53Å; W140-L157 HydrophobicContact CH2-CD2 4.25Å; W140-L157 HydrophobicContact CZ3-CD2 3.58Å; L142-L157 HydrophobicContact CB-CD1 4.24Å; L142-L157 HydrophobicContact CB-CD2 4.5Å; L142-L157 HydrophobicContact CD1-CD1 4.3Å; L142-L157 HydrophobicContact CD1-CD2 4.04Å; L142-L157 HydrophobicContact CD1-CG 4.41Å; L142-L157 HydrophobicContact CD2-CD1 4.49Å; V153-L157 HydrophobicContact CG1-CD1 3.78Å; V153-L157 HydrophobicContact CG1-CG 4.2Å; V153-L157 WeakPolarHBondContact O-CB 3.36Å; V153-L157 WeakPolarHBondContact O-CG 3.49Å; V153-L157 PolarHBondContact O-N 2.92Å; S155-L157 PolarHBondContact O-N 3.49Å; L157-E159 VanDerWaalsContact C-N 3.31Å; L157-E159 PolarHBondContact O-N 2.78Å; L157-T160 PolarHBondContact O-N 3.45Å; L157-T160 PolarHBondContact O-OG1 2.99Å; L157-Y164 HydrophobicContact CB-CD1 3.98Å; L157-Y164 HydrophobicContact CB-CD2 3.87Å; L157-Y164 HydrophobicContact CB-CE1 3.89Å; L157-Y164 HydrophobicContact CB-CE2 3.75Å; L157-Y164 HydrophobicContact CB-CG 3.99Å; L157-Y164 HydrophobicContact CD1-CD2 3.74Å; L157-Y164 HydrophobicContact CD1-CE2 4.03Å; L157-Y164 HydrophobicContact CD1-CG 4.33Å; L157-Y164 HydrophobicContact CD2-CD2 4.38Å; L157-Y164 HydrophobicContact CD2-CG 4.15Å; L157-Y164 HydrophobicContact CG-CD2 4.22Å; L157-Y164 HydrophobicContact CG-CE2 4.48Å; L157-Y164 HydrophobicContact CG-CG 4.39Å; L157-Y164 WeakPolarHBondContact O-CE1 3.5Å; L157-H166 HydrophobicContact CD1-CB 3.74Å
158R97.8Very high98.1Very high161 Ų16159.2 Ų59.261%0.60829%0.292SS*.Hα-helixtrans-60.3-40.4177.2179.8-177.860.7-171-4.1112.3T154 S155 L156T154-R158 WeakPolarHBondContact O-CB 3.49Å; T154-R158 PolarHBondContact O-N 3.09Å; S155-R158 PolarHBondContact O-N 3.42Å; S155-R158 PolarHBondContact OG-NH2 3.41Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 2.97Å
159E96.8Very high98.1Very high141 Ų14151.4 Ų51.466%0.65927%0.267SS*.Hα-helixtrans-73.9-25.5-177.6-73.3163.7-149.900113.2S155 L156 L157 G161S155-E159 WeakPolarHBondContact O-CB 3.33Å; S155-E159 VanDerWaalsContact O-CG 3.28Å; S155-E159 WeakPolarHBondContact O-CG 3.32Å; S155-E159 PolarHBondContact O-N 2.91Å; S155-E159 PolarHBondContact OG-OE1 3.44Å; L156-E159 PolarHBondContact O-N 3.37Å; L157-E159 VanDerWaalsContact C-N 3.31Å; L157-E159 PolarHBondContact O-N 2.78Å; E159-G161 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 2.88Å
160T96.4Very high98Very high25 Ų2547.7 Ų47.715%0.15326%0.255CS..Hα-helixtrans-67.1-29179.762.70000113.7A129 L133 L156 L157 L162A129-T160 HydrophobicContact CB-CG2 3.7Å; L133-T160 WeakPolarHBondContact CD2-O 3.1Å; L156-T160 HydrophobicContact CD2-CG2 4.15Å; L156-T160 VanDerWaalsContact O-CG2 3.29Å; L156-T160 WeakPolarHBondContact O-CG2 3.46Å; L156-T160 PolarHBondContact O-N 2.9Å; L156-T160 VanDerWaalsContact O-N 3.12Å; L157-T160 PolarHBondContact O-N 3.45Å; L157-T160 PolarHBondContact O-OG1 2.99Å; T160-L162 HydrophobicContact CG2-CD1 4.48Å; T160-L162 PolarHBondContact O-N 2.63Å; T160-L162 PolarHBondContact OG1-N 2.96Å
161G94.4Very high97.9Very high47 Ų4747 Ų4749%0.48525%0.251SS..  trans70.63.4-170.500000114.8P99 E159P99-G161 WeakPolarHBondContact CD-O 3.5Å; P99-G161 VanDerWaalsContact CG-O 3.32Å; P99-G161 WeakPolarHBondContact CG-O 3.2Å; E159-G161 VanDerWaalsContact C-N 3.3Å; E159-G161 PolarHBondContact O-N 2.88Å
162L97.2Very high97.5Very high10 Ų1044 Ų445%0.05223%0.231CC..  trans-66154172.6-71.9167.1000110.7P99 A129 F132 L133 W140 T160 Y164P99-L162 HydrophobicContact CB-CD2 4.28Å; A129-L162 HydrophobicContact CB-CD1 4.21Å; F132-L162 HydrophobicContact CB-CD1 3.92Å; F132-L162 HydrophobicContact CB-CD2 4.22Å; L133-L162 HydrophobicContact CD2-CD2 3.77Å; L133-L162 HydrophobicContact CD2-CG 3.84Å; L133-L162 HydrophobicContact CG-CD1 4.43Å; L133-L162 HydrophobicContact CG-CD2 4.12Å; L133-L162 HydrophobicContact CG-CG 4.19Å; W140-L162 HydrophobicContact CE3-CD1 3.71Å; W140-L162 HydrophobicContact CZ3-CD1 4.02Å; T160-L162 HydrophobicContact CG2-CD1 4.48Å; T160-L162 PolarHBondContact O-N 2.63Å; T160-L162 PolarHBondContact OG1-N 2.96Å; L162-Y164 WeakPolarHBondContact O-CD1 3.21Å; L162-Y164 PolarHBondContact O-N 3.21Å
163N98.1Very high96.9Very high64 Ų6450.1 Ų50.134%0.34226%0.257SS..EExtended strand (participates in β ladder)trans-74.7121.5164.5-174.5-23000108.5W102 H139 W140W102-N163 HydrophobicContact CH2-CB 4.36Å; W102-N163 WeakPolarHBondContact CH2-ND2 3.36Å; W102-N163 HydrophobicContact CZ2-CB 3.51Å; W102-N163 WeakPolarHBondContact CZ2-ND2 3.5Å; H139-N163 PolarHBondContact CE1-OD1 3.38Å; H139-N163 VanDerWaalsContact CE1-OD1 3.31Å; H139-N163 PolarHBondContact ND1-OD1 2.76Å; W140-N163 PolarHBondContact N-O 2.88Å
164Y98.7Very high96.1Very high79 Ų7955.2 Ų55.231%0.3128%0.284SS..EExtended strand (participates in β ladder)trans-139.3158.4-176.671.3-93000113.6H139 W140 L157 L162 H166H139-Y164 VanDerWaalsContact CE1-C 3.43Å; W140-Y164 CarbonylContact O-C 3.54Å; W140-Y164 WeakPolarHBondContact O-CA 3.41Å; W140-Y164 VanDerWaalsContact O-CB 3.29Å; W140-Y164 WeakPolarHBondContact O-CB 3.29Å; L157-Y164 HydrophobicContact CB-CD1 3.98Å; L157-Y164 HydrophobicContact CB-CD2 3.87Å; L157-Y164 HydrophobicContact CB-CE1 3.89Å; L157-Y164 HydrophobicContact CB-CE2 3.75Å; L157-Y164 HydrophobicContact CB-CG 3.99Å; L157-Y164 HydrophobicContact CD1-CD2 3.74Å; L157-Y164 HydrophobicContact CD1-CE2 4.03Å; L157-Y164 HydrophobicContact CD1-CG 4.33Å; L157-Y164 HydrophobicContact CD2-CD2 4.38Å; L157-Y164 HydrophobicContact CD2-CG 4.15Å; L157-Y164 HydrophobicContact CG-CD2 4.22Å; L157-Y164 HydrophobicContact CG-CE2 4.48Å; L157-Y164 HydrophobicContact CG-CG 4.39Å; L157-Y164 WeakPolarHBondContact O-CE1 3.5Å; L162-Y164 WeakPolarHBondContact O-CD1 3.21Å; L162-Y164 PolarHBondContact O-N 3.21Å; Y164-H166 HydrophobicContact CD2-CB 4.08Å; Y164-H166 HydrophobicContact CE2-CB 4.04Å
165T98.8Very high95.3Very high24 Ų2454.5 Ų54.515%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-122.1123.8163.9-720000108H139 W140 I141 L142 L167 W199H139-T165 PolarHBondContact CE1-OG1 2.87Å; H139-T165 PolarHBondContact NE2-OG1 3.41Å; W140-T165 PolarHBondContact O-N 3.31Å; I141-T165 WeakPolarHBondContact CA-O 3.28Å; I141-T165 HydrophobicContact CG2-CG2 4.37Å; L142-T165 PolarHBondContact N-O 3.28Å; T165-L167 HydrophobicContact CG2-CD1 4.29Å; T165-L167 HydrophobicContact CG2-CD2 3.78Å; T165-L167 HydrophobicContact CG2-CG 3.82Å; T165-W199 HydrophobicContact CG2-CD2 4.29Å; T165-W199 HydrophobicContact CG2-CH2 4.26Å; T165-W199 HydrophobicContact CG2-CZ2 3.72Å; T165-W199 WeakPolarHBondContact OG1-CH2 3.46Å; T165-W199 WeakPolarHBondContact OG1-CZ2 3.43Å
166H98.8Very high94.2Very high14 Ų1458.1 Ų58.17%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-105.6110.3-179.2-175.6-168.7000110.6E144 R149 V153 T154 L157 Y164E144-H166 IonicContact OE2-CD2 2.67Å; E144-H166 IonicContact OE2-CE1 3.42Å; E144-H166 PolarHBondContact OE2-CE1 3.04Å; E144-H166 IonicContact OE2-NE2 2.67Å; E144-H166 PolarHBondContact OE2-NE2 3.47Å; R149-H166 VanDerWaalsContact CB-CE1 3.48Å; R149-H166 WeakPolarHBondContact CB-CE1 3.26Å; R149-H166 WeakPolarHBondContact CD-O 3.45Å; V153-H166 WeakPolarHBondContact CG1-NE2 3.35Å; T154-H166 PolarHBondContact OG1-CE1 3.02Å; T154-H166 VanDerWaalsContact OG1-CE1 3.29Å; L157-H166 HydrophobicContact CD1-CB 3.74Å; Y164-H166 HydrophobicContact CD2-CB 4.08Å; Y164-H166 HydrophobicContact CE2-CB 4.04Å
167L98.9Very high92.7Very high30 Ų3062.4 Ų62.416%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-116.1168.8179.2-53.7176.5000111.1I141 L142 I143 E144 T165 L195 W199I141-L167 HydrophobicContact CG2-CD1 4.07Å; L142-L167 PolarHBondContact O-N 3.04Å; I143-L167 WeakPolarHBondContact CA-O 3.37Å; I143-L167 HydrophobicContact CB-CB 4.42Å; I143-L167 HydrophobicContact CG1-CB 4.03Å; I143-L167 HydrophobicContact CG1-CD1 4.16Å; I143-L167 HydrophobicContact CG2-CB 4.13Å; E144-L167 PolarHBondContact N-O 3.06Å; T165-L167 HydrophobicContact CG2-CD1 4.29Å; T165-L167 HydrophobicContact CG2-CD2 3.78Å; T165-L167 HydrophobicContact CG2-CG 3.82Å; L167-L195 HydrophobicContact CB-CD2 3.95Å; L167-L195 HydrophobicContact CD1-CD2 4.31Å; L167-L195 HydrophobicContact CD1-CG 4.36Å; L167-W199 HydrophobicContact CD1-CB 3.91Å; L167-W199 HydrophobicContact CD1-CD2 4.47Å; L167-W199 HydrophobicContact CD1-CG 3.88Å
168N98.8Very high90.8Very high48 Ų4872.9 Ų72.926%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-150.1147.1171.171.8-84.7000111.4E144 S146 Q147 R148 R149E144-N168 HydrophobicContact CB-CB 4.17Å; E144-N168 CarbonylContact O-C 3.6Å; E144-N168 WeakPolarHBondContact O-CA 3.17Å; S146-N168 PolarHBondContact O-ND2 2.9Å; Q147-N168 PolarHBondContact O-ND2 2.73Å; R148-N168 WeakPolarHBondContact CA-ND2 3.44Å; R148-N168 PolarHBondContact N-ND2 2.86Å; R149-N168 HydrophobicContact CG-CB 4.27Å
169V98.4Very high88.2Confident35 Ų3567.7 Ų67.721%0.21235%0.351CS..  trans-154.3123.1166.754.40000108.9I143 E144 D145 S146 T171 M191 Q192 L195I143-V169 HydrophobicContact CG2-CG1 4.16Å; E144-V169 PolarHBondContact O-N 3.12Å; D145-V169 WeakPolarHBondContact CA-O 3.43Å; S146-V169 CarbonylContact O-C 3.59Å; V169-T171 PolarHBondContact O-N 3.3Å; V169-M191 HydrophobicContact CG1-CB 4.37Å; V169-M191 HydrophobicContact CG2-CE 4Å; V169-Q192 HydrophobicContact CG1-CB 4.49Å; V169-Q192 HydrophobicContact CG1-CG 3.99Å; V169-Q192 PolarHBondContact O-NE2 3.29Å; V169-L195 HydrophobicContact CB-CD2 3.95Å; V169-L195 HydrophobicContact CG1-CB 4.01Å; V169-L195 HydrophobicContact CG1-CD2 3.78Å; V169-L195 HydrophobicContact CG1-CG 4.48Å
170E97.4Very high85.6Confident64 Ų6466.3 Ų66.330%0.29935%0.349SS..PPolyproline II helixtrans-71.9127.5175.7-174.2179.7-154.800110S146 Q147 P172S146-E170 PolarHBondContact O-N 3.42Å; Q147-E170 VanDerWaalsContact CD-OE2 3.32Å; Q147-E170 HydrophobicContact CG-CB 4.01Å; Q147-E170 HydrophobicContact CG-CG 4.26Å; Q147-E170 WeakPolarHBondContact CG-OE2 3.4Å; Q147-E170 PolarHBondContact NE2-OE2 3.45Å; E170-P172 WeakPolarHBondContact O-CD 3.47Å
171T94.7Very high83.4Confident12 Ų1271.8 Ų71.87%0.07438%0.382CS..PPolyproline II helixtrans-73.5122.5164.9-52.20000108.5D145 V169 K173 F175 K176 M191 Q192D145-T171 VanDerWaalsContact CG-OG1 3.29Å; D145-T171 PolarHBondContact OD1-N 2.86Å; D145-T171 PolarHBondContact OD1-OG1 2.94Å; D145-T171 VanDerWaalsContact OD2-CB 3.29Å; D145-T171 WeakPolarHBondContact OD2-CB 3.43Å; D145-T171 PolarHBondContact OD2-OG1 2.73Å; V169-T171 PolarHBondContact O-N 3.3Å; T171-K173 PolarHBondContact O-N 3.02Å; T171-F175 HydrophobicContact CG2-CB 3.87Å; T171-F175 HydrophobicContact CG2-CD2 4.4Å; T171-K176 HydrophobicContact CG2-CG 4.25Å; T171-K176 WeakPolarHBondContact O-CE 3.34Å; T171-K176 PolarHBondContact O-NZ 2.83Å; T171-M191 HydrophobicContact CG2-SD 4.13Å; T171-Q192 PolarHBondContact OG1-NE2 3Å
172P91.9Very high81.4Confident45 Ų4579.7 Ų79.729%0.29240%0.397SS..PPolyproline II helixtrans-50.5139.7179.4-31.837.9000113.3E170 N174 F175 M191E170-P172 WeakPolarHBondContact O-CD 3.47Å; P172-N174 VanDerWaalsContact C-N 3.27Å; P172-N174 WeakPolarHBondContact CB-OD1 3.45Å; P172-N174 PolarHBondContact O-N 3.43Å; P172-F175 HydrophobicContact CB-CD2 4.04Å; P172-F175 HydrophobicContact CB-CE2 4.27Å; P172-F175 HydrophobicContact CB-CG 4.27Å; P172-F175 HydrophobicContact CG-CD2 3.97Å; P172-F175 HydrophobicContact CG-CE2 3.95Å; P172-F175 WeakPolarHBondContact O-CB 3.29Å; P172-F175 PolarHBondContact O-N 2.77Å; P172-M191 WeakPolarHBondContact CD-SD 3.35Å; P172-M191 HydrophobicContact CG-SD 4.42Å
173K85.6Confident79.3Confident159 Ų15984.4 Ų84.469%0.69142%0.422SS*.Hα-helixtrans-56.1-40-174.6-69.4-177.7-179.5176.90112.8T171 F175 K176 V177T171-K173 PolarHBondContact O-N 3.02Å; K173-F175 PolarHBondContact O-N 3.06Å; K173-F175 VanDerWaalsContact O-N 3.15Å; K173-K176 WeakPolarHBondContact O-CB 3.39Å; K173-K176 PolarHBondContact O-N 2.92Å; K173-V177 WeakPolarHBondContact O-CG2 3.35Å; K173-V177 PolarHBondContact O-N 3.26Å
174N82.4Confident77.4Confident107 Ų10783.9 Ų83.957%0.57242%0.423SS*.Hα-helixtrans-59.4-23176.361.7-33.1000113.6P172P172-N174 VanDerWaalsContact C-N 3.27Å; P172-N174 WeakPolarHBondContact CB-OD1 3.45Å; P172-N174 PolarHBondContact O-N 3.43Å
175F80.9Confident76.1Confident39 Ų3987.3 Ų87.317%0.17144%0.435CS..Hα-helixtrans-86.3-15.1175.4-61.1-10.1000113T171 P172 K173 I186 M191 L298 R299T171-F175 HydrophobicContact CG2-CB 3.87Å; T171-F175 HydrophobicContact CG2-CD2 4.4Å; P172-F175 HydrophobicContact CB-CD2 4.04Å; P172-F175 HydrophobicContact CB-CE2 4.27Å; P172-F175 HydrophobicContact CB-CG 4.27Å; P172-F175 HydrophobicContact CG-CD2 3.97Å; P172-F175 HydrophobicContact CG-CE2 3.95Å; P172-F175 WeakPolarHBondContact O-CB 3.29Å; P172-F175 PolarHBondContact O-N 2.77Å; K173-F175 PolarHBondContact O-N 3.06Å; K173-F175 VanDerWaalsContact O-N 3.15Å; F175-I186 HydrophobicContact CB-CD1 3.67Å; F175-I186 HydrophobicContact CD1-CD1 3.53Å; F175-I186 HydrophobicContact CD2-CD1 3.61Å; F175-I186 HydrophobicContact CE1-CD1 4.05Å; F175-I186 HydrophobicContact CE2-CD1 4.11Å; F175-I186 HydrophobicContact CG-CD1 3.31Å; F175-I186 HydrophobicContact CZ-CD1 4.33Å; F175-M191 HydrophobicContact CD2-SD 4.27Å; F175-M191 HydrophobicContact CE2-SD 4.49Å; F175-L298 HydrophobicContact CD2-CD2 4.47Å; F175-L298 HydrophobicContact CE2-CD2 3.84Å; F175-L298 HydrophobicContact CZ-CD2 4.49Å; F175-R299 VanDerWaalsContact CZ-NH2 3.31Å
176K75.1Confident75.3Confident104 Ų10487.2 Ų87.245%0.45243%0.434SS..Hα-helixtrans-91.2-22.5176.6-62.3-176.7179.9172.10112.7D145 T171 K173 R178D145-K176 VanDerWaalsContact CG-NZ 3.3Å; D145-K176 WeakPolarHBondContact OD1-CE 3.14Å; D145-K176 IonicContact OD1-NZ 3.63Å; D145-K176 PolarHBondContact OD1-NZ 2.75Å; D145-K176 WeakPolarHBondContact OD2-CE 3.34Å; D145-K176 IonicContact OD2-NZ 2.77Å; D145-K176 PolarHBondContact OD2-NZ 3.04Å; T171-K176 HydrophobicContact CG2-CG 4.25Å; T171-K176 WeakPolarHBondContact O-CE 3.34Å; T171-K176 PolarHBondContact O-NZ 2.83Å; K173-K176 WeakPolarHBondContact O-CB 3.39Å; K173-K176 PolarHBondContact O-N 2.92Å; K176-R178 PolarHBondContact O-N 2.98Å
177V66.4Low74.7Confident102 Ų10288.6 Ų88.662%0.61844%0.444SS*.  trans-66.3129.8-177.5178.40000110.3K173 G179K173-V177 WeakPolarHBondContact O-CG2 3.35Å; K173-V177 PolarHBondContact O-N 3.26Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 3.42Å; V177-G179 VanDerWaalsContact O-N 3.16Å
178R59Low74.2Confident220 Ų22094.7 Ų94.783%0.8346%0.464SS*.  trans-79.885165.5-73.6-177.1175-174.6-1.2107.9K176K176-R178 PolarHBondContact O-N 2.98Å
179G42.6Very low74Confident52 Ų5292.8 Ų92.854%0.53646%0.457SS..  trans-134115.9-177.300000111.8V177V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 3.42Å; V177-G179 VanDerWaalsContact O-N 3.16Å
180D42.9Very low73.9Confident113 Ų11391.2 Ų91.260%0.60445%0.447SS*.  trans59.3134.1172.2-146.5-2.2000118.3R182D180-R182 PolarHBondContact O-N 3.37Å; D180-R182 IonicContact OD2-NE 3.76Å
181T50.7Low73.9Confident140 Ų14090.4 Ų90.486%0.85944%0.444SS*.THydrogen-bonded Turntrans-64-1.8-172.751.30000115.3
182R52Low74.1Confident212 Ų21289.9 Ų89.980%0.844%0.441SS*.THydrogen-bonded Turntrans-94.6-23.5-169.6-55.6-174.3-155-162.92114.7D180D180-R182 PolarHBondContact O-N 3.37Å; D180-R182 IonicContact OD2-NE 3.76Å
183D53.7Low74.4Confident109 Ų10988.1 Ų88.158%0.58343%0.428SS*.SBendtrans-107.8116.6177-157.8-4.7000109.8R185D183-R185 PolarHBondContact O-N 3.15Å; D183-R185 VanDerWaalsContact O-N 3.12Å
184P57.9Low75Confident54 Ų5481.8 Ų81.835%0.35140%0.402SS..PPolyproline II helixtrans-57.4122178.918.8-29.7000110.9I186 V301P184-I186 PolarHBondContact O-N 3.45Å; P184-V301 WeakPolarHBondContact CB-O 3.08Å
185R71.2Confident75.8Confident151 Ų15178.4 Ų78.457%0.5738%0.383SS*.PPolyproline II helixtrans-46.4130.3-179.4178178.1178.2179.9-3.2112D183 P187D183-R185 PolarHBondContact O-N 3.15Å; D183-R185 VanDerWaalsContact O-N 3.12Å; R185-P187 VanDerWaalsContact O-CD 3.29Å; R185-P187 WeakPolarHBondContact O-CD 3.2Å
186I81.8Confident76.6Confident22 Ų2276.5 Ų76.511%0.11338%0.375CS..PPolyproline II helixtrans-69.8120.8169.2-59.4-179.5000108.6F175 P184 L298 R299F175-I186 HydrophobicContact CB-CD1 3.67Å; F175-I186 HydrophobicContact CD1-CD1 3.53Å; F175-I186 HydrophobicContact CD2-CD1 3.61Å; F175-I186 HydrophobicContact CE1-CD1 4.05Å; F175-I186 HydrophobicContact CE2-CD1 4.11Å; F175-I186 HydrophobicContact CG-CD1 3.31Å; F175-I186 HydrophobicContact CZ-CD1 4.33Å; P184-I186 PolarHBondContact O-N 3.45Å; I186-L298 HydrophobicContact CD1-CD1 4.4Å; I186-L298 HydrophobicContact CD1-CG 4.16Å; I186-L298 WeakPolarHBondContact CG1-O 3.43Å; I186-L298 HydrophobicContact CG2-CD1 3.59Å; I186-L298 HydrophobicContact CG2-CG 4.34Å; I186-R299 HydrophobicContact CD1-CG 4.3Å
187P85.8Confident77.8Confident42 Ų4271.6 Ų71.627%0.27335%0.354SS..PPolyproline II helixtrans-62.2144.5177.8-24.936.8000111.7R185 T190 Q306R185-P187 VanDerWaalsContact O-CD 3.29Å; R185-P187 WeakPolarHBondContact O-CD 3.2Å; P187-T190 PolarHBondContact O-N 3.36Å; P187-T190 PolarHBondContact O-OG1 2.95Å; P187-Q306 VanDerWaalsContact CB-OE1 3.27Å; P187-Q306 HydrophobicContact CG-CB 4.29Å
188R89.3Confident79.3Confident158 Ų15872.4 Ų72.460%0.59635%0.346SS*.THydrogen-bonded Turntrans-62145175.5-68.9-175.9-74.4-179.11.4109.7Y116 T190 R193Y116-R188 PolarHBondContact OH-NH1 3.04Å; R188-T190 VanDerWaalsContact C-N 3.27Å; R188-T190 PolarHBondContact O-N 3.41Å; R188-R193 PolarHBondContact O-NH1 3.28Å
189G94.6Very high81.1Confident9 Ų964.3 Ų64.39%0.09332%0.315CS..THydrogen-bonded Turntrans80.6-5.1178.600000115.2M191 Q192 R193G189-M191 PolarHBondContact O-N 3.42Å; G189-Q192 PolarHBondContact O-N 2.85Å; G189-Q192 PolarHBondContact O-OE1 3.39Å; G189-R193 WeakPolarHBondContact O-CG 3.48Å; G189-R193 PolarHBondContact O-N 3.48Å
190T96Very high83.7Confident2 Ų261.9 Ų61.91%0.01229%0.29CS..Hα-helixtrans-58.3-49.1-174.5-53.80000112.7P187 R188 Q192 N194 F296 L298 Q306P187-T190 PolarHBondContact O-N 3.36Å; P187-T190 PolarHBondContact O-OG1 2.95Å; R188-T190 VanDerWaalsContact C-N 3.27Å; R188-T190 PolarHBondContact O-N 3.41Å; T190-Q192 VanDerWaalsContact C-N 3.3Å; T190-Q192 PolarHBondContact O-N 3.4Å; T190-N194 WeakPolarHBondContact O-CB 3.42Å; T190-N194 PolarHBondContact O-N 3.49Å; T190-F296 HydrophobicContact CG2-CB 4.03Å; T190-L298 HydrophobicContact CG2-CD1 3.77Å; T190-Q306 PolarHBondContact OG1-NE2 3.01Å
191M97.3Very high86.3Confident47 Ų4758.2 Ų58.223%0.23227%0.268CS..Hα-helixtrans-67.4-35.5-179.1-69.8-176.663.400111.6V169 T171 P172 F175 G189 N194 L195 L298V169-M191 HydrophobicContact CG1-CB 4.37Å; V169-M191 HydrophobicContact CG2-CE 4Å; T171-M191 HydrophobicContact CG2-SD 4.13Å; P172-M191 WeakPolarHBondContact CD-SD 3.35Å; P172-M191 HydrophobicContact CG-SD 4.42Å; F175-M191 HydrophobicContact CD2-SD 4.27Å; F175-M191 HydrophobicContact CE2-SD 4.49Å; G189-M191 PolarHBondContact O-N 3.42Å; M191-N194 PolarHBondContact O-N 3.47Å; M191-L195 WeakPolarHBondContact O-CB 3.37Å; M191-L195 PolarHBondContact O-N 2.67Å; M191-L298 HydrophobicContact CG-CD1 3.81Å
192Q98.7Very high88.4Confident1 Ų158.2 Ų58.21%0.00526%0.258CS..Hα-helixtrans-67.7-46.5179.3-66.572.128.700111.1P114 I143 D145 V169 T171 G189 T190 N194 L195 A196P114-Q192 HydrophobicContact CB-CB 3.76Å; P114-Q192 HydrophobicContact CB-CG 4.39Å; I143-Q192 HydrophobicContact CB-CB 3.9Å; I143-Q192 HydrophobicContact CB-CG 4.34Å; I143-Q192 HydrophobicContact CG2-CB 3.64Å; I143-Q192 HydrophobicContact CG2-CG 3.79Å; D145-Q192 HydrophobicContact CB-CG 4.39Å; V169-Q192 HydrophobicContact CG1-CB 4.49Å; V169-Q192 HydrophobicContact CG1-CG 3.99Å; V169-Q192 PolarHBondContact O-NE2 3.29Å; T171-Q192 PolarHBondContact OG1-NE2 3Å; G189-Q192 PolarHBondContact O-N 2.85Å; G189-Q192 PolarHBondContact O-OE1 3.39Å; T190-Q192 VanDerWaalsContact C-N 3.3Å; T190-Q192 PolarHBondContact O-N 3.4Å; Q192-N194 VanDerWaalsContact C-N 3.33Å; Q192-N194 PolarHBondContact O-N 2.7Å; Q192-L195 PolarHBondContact O-N 2.98Å; Q192-A196 PolarHBondContact O-N 2.85Å
193R98.6Very high90.4Very high8 Ų851.2 Ų51.23%0.0324%0.239CC..Hα-helixtrans-61.4-41.3173.5-66.8-176.9-163.599.53.2111.6I112 P114 R188 G189 A196 L197 F216 D218 F296I112-R193 HydrophobicContact CG2-CG 4.38Å; P114-R193 HydrophobicContact CG-CG 4.31Å; R188-R193 PolarHBondContact O-NH1 3.28Å; G189-R193 WeakPolarHBondContact O-CG 3.48Å; G189-R193 PolarHBondContact O-N 3.48Å; R193-A196 PolarHBondContact O-N 2.67Å; R193-L197 WeakPolarHBondContact O-CG 3.28Å; R193-L197 PolarHBondContact O-N 2.97Å; R193-F216 HydrophobicContact CB-CD1 4.11Å; R193-F216 HydrophobicContact CB-CE1 3.93Å; R193-F216 HydrophobicContact CG-CD1 3.8Å; R193-F216 HydrophobicContact CG-CE1 4.16Å; R193-D218 IonicContact CZ-OD1 3.43Å; R193-D218 IonicContact NE-OD1 2.71Å; R193-D218 VanDerWaalsContact NH2-CG 3.3Å; R193-D218 IonicContact NH2-OD1 2.72Å; R193-D218 PolarHBondContact NH2-OD1 3.42Å; R193-D218 IonicContact NH2-OD2 2.74Å; R193-D218 PolarHBondContact NH2-OD2 3.23Å; R193-F296 HydrophobicContact CB-CD2 3.79Å; R193-F296 HydrophobicContact CB-CE2 3.77Å; R193-F296 HydrophobicContact CG-CE2 4.37Å
194N98.6Very high92.2Very high25 Ų2547.3 Ų47.313%0.13422%0.216CC..Hα-helixtrans-67.4-36.2176.2-77-14.1000112.9T190 M191 Q192 A196 L197 R198 Y295 F296T190-N194 WeakPolarHBondContact O-CB 3.42Å; T190-N194 PolarHBondContact O-N 3.49Å; M191-N194 PolarHBondContact O-N 3.47Å; Q192-N194 VanDerWaalsContact C-N 3.33Å; Q192-N194 PolarHBondContact O-N 2.7Å; N194-A196 VanDerWaalsContact C-N 3.33Å; N194-L197 PolarHBondContact O-N 3.05Å; N194-R198 PolarHBondContact O-N 3.13Å; N194-Y295 HydrophobicContact CB-CD1 3.91Å; N194-Y295 WeakPolarHBondContact O-CE1 3.44Å; N194-F296 PolarHBondContact ND2-O 3.04Å; N194-F296 WeakPolarHBondContact OD1-CB 3.32Å; N194-F296 PolarHBondContact OD1-N 2.94Å
195L98.8Very high93.2Very high36 Ų3652.8 Ų52.819%0.18824%0.235CC..Hα-helixtrans-62.2-43172.7-178.669.5000110.8I143 L167 V169 M191 Q192 R198 W199I143-L195 HydrophobicContact CG2-CD2 3.91Å; L167-L195 HydrophobicContact CB-CD2 3.95Å; L167-L195 HydrophobicContact CD1-CD2 4.31Å; L167-L195 HydrophobicContact CD1-CG 4.36Å; V169-L195 HydrophobicContact CB-CD2 3.95Å; V169-L195 HydrophobicContact CG1-CB 4.01Å; V169-L195 HydrophobicContact CG1-CD2 3.78Å; V169-L195 HydrophobicContact CG1-CG 4.48Å; M191-L195 WeakPolarHBondContact O-CB 3.37Å; M191-L195 PolarHBondContact O-N 2.67Å; Q192-L195 PolarHBondContact O-N 2.98Å; L195-R198 WeakPolarHBondContact O-CB 3.45Å; L195-R198 PolarHBondContact O-N 3.35Å; L195-W199 WeakPolarHBondContact O-CB 3.28Å; L195-W199 PolarHBondContact O-N 3.42Å
196A98.8Very high93Very high0 Ų050.5 Ų50.50%023%0.234CC..Hα-helixtrans-62.8-43176.800000112.4I112 I141 I143 Q192 R193 N194 R198 W199 L200I112-A196 HydrophobicContact CB-CB 4.36Å; I112-A196 HydrophobicContact CD1-CB 3.73Å; I112-A196 HydrophobicContact CG1-CB 3.88Å; I112-A196 HydrophobicContact CG2-CB 3.56Å; I141-A196 HydrophobicContact CG2-CB 4.27Å; I143-A196 HydrophobicContact CD1-CB 3.73Å; I143-A196 HydrophobicContact CG1-CB 4.23Å; Q192-A196 PolarHBondContact O-N 2.85Å; R193-A196 PolarHBondContact O-N 2.67Å; N194-A196 VanDerWaalsContact C-N 3.33Å; A196-R198 VanDerWaalsContact C-N 3.3Å; A196-R198 PolarHBondContact O-N 2.91Å; A196-W199 PolarHBondContact O-N 3.27Å; A196-L200 WeakPolarHBondContact O-CB 3.46Å; A196-L200 WeakPolarHBondContact O-CG 3.36Å; A196-L200 PolarHBondContact O-N 3.1Å
197L98.4Very high92Very high0 Ų057 Ų570%027%0.269CS..Hα-helixtrans-59.6-40.7173.7-74.3176.2000112.3R193 N194 R201 F216 I288 Y295 F296 L310R193-L197 WeakPolarHBondContact O-CG 3.28Å; R193-L197 PolarHBondContact O-N 2.97Å; N194-L197 PolarHBondContact O-N 3.05Å; L197-R201 WeakPolarHBondContact O-CD 3.45Å; L197-R201 VanDerWaalsContact O-CG 3.32Å; L197-R201 WeakPolarHBondContact O-CG 3.47Å; L197-R201 PolarHBondContact O-N 2.9Å; L197-F216 HydrophobicContact CD1-CZ 4.31Å; L197-F216 HydrophobicContact CD2-CZ 3.99Å; L197-F216 HydrophobicContact CG-CE1 4.49Å; L197-F216 HydrophobicContact CG-CZ 4.17Å; L197-I288 HydrophobicContact CD2-CD1 4.05Å; L197-I288 HydrophobicContact CD2-CG1 4.24Å; L197-I288 HydrophobicContact CD2-CG2 3.8Å; L197-Y295 HydrophobicContact CB-CD1 4.1Å; L197-Y295 HydrophobicContact CB-CE1 3.91Å; L197-Y295 HydrophobicContact CD1-CD1 4.16Å; L197-F296 HydrophobicContact CD1-CD2 4.32Å; L197-F296 HydrophobicContact CD1-CE2 4.38Å; L197-L310 HydrophobicContact CD1-CD1 4.38Å
198R98.2Very high91Very high120 Ų12058.7 Ų58.745%0.45328%0.276SS..Hα-helixtrans-64.5-50.1174.8-177.5-172.8-60.2155.5-0.1111.1N194 L195 A196 L200 R201 E202 Y295N194-R198 PolarHBondContact O-N 3.13Å; L195-R198 WeakPolarHBondContact O-CB 3.45Å; L195-R198 PolarHBondContact O-N 3.35Å; A196-R198 VanDerWaalsContact C-N 3.3Å; A196-R198 PolarHBondContact O-N 2.91Å; R198-L200 VanDerWaalsContact C-N 3.28Å; R198-L200 PolarHBondContact O-N 2.67Å; R198-R201 WeakPolarHBondContact O-CB 3.22Å; R198-R201 PolarHBondContact O-N 3.48Å; R198-E202 VanDerWaalsContact CD-OE1 3.31Å; R198-E202 WeakPolarHBondContact CD-OE1 3.32Å; R198-E202 HydrophobicContact CG-CG 4.36Å; R198-E202 WeakPolarHBondContact CG-OE1 3.45Å; R198-E202 WeakPolarHBondContact O-CG 3.37Å; R198-E202 PolarHBondContact O-N 3.18Å; R198-Y295 HydrophobicContact CB-CE1 4.32Å
199W98.2Very high89.8Confident50 Ų5056.7 Ų56.719%0.18929%0.286CS..Hα-helixtrans-57.1-42.3179.4177.785.7000111.8H139 I141 T165 L167 L195 A196 R201 E202 T203 F204H139-W199 AromaticContact NE2-CH2 3.48Å; H139-W199 WeakPolarHBondContact NE2-CH2 3.16Å; H139-W199 AromaticContact NE2-CZ3 3.98Å; I141-W199 HydrophobicContact CD1-CE3 3.86Å; I141-W199 HydrophobicContact CD1-CZ3 3.53Å; I141-W199 HydrophobicContact CG1-CZ3 4.1Å; T165-W199 HydrophobicContact CG2-CD2 4.29Å; T165-W199 HydrophobicContact CG2-CH2 4.26Å; T165-W199 HydrophobicContact CG2-CZ2 3.72Å; T165-W199 WeakPolarHBondContact OG1-CH2 3.46Å; T165-W199 WeakPolarHBondContact OG1-CZ2 3.43Å; L167-W199 HydrophobicContact CD1-CB 3.91Å; L167-W199 HydrophobicContact CD1-CD2 4.47Å; L167-W199 HydrophobicContact CD1-CG 3.88Å; L195-W199 WeakPolarHBondContact O-CB 3.28Å; L195-W199 PolarHBondContact O-N 3.42Å; A196-W199 PolarHBondContact O-N 3.27Å; W199-R201 VanDerWaalsContact C-N 3.33Å; W199-R201 PolarHBondContact O-N 2.97Å; W199-E202 PolarHBondContact O-N 3.14Å; W199-T203 VanDerWaalsContact CE2-OG1 3.25Å; W199-T203 HydrophobicContact CH2-CG2 4.14Å; W199-T203 HydrophobicContact CZ2-CG2 4.07Å; W199-T203 WeakPolarHBondContact O-CB 3.35Å; W199-T203 PolarHBondContact O-N 3.42Å; W199-T203 PolarHBondContact O-OG1 2.74Å; W199-F204 HydrophobicContact CH2-CE2 4.46Å; W199-F204 HydrophobicContact CZ3-CE2 4.2Å
200L97.3Very high89.1Confident0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-59.9-42.4174.9-75.9168.1000111.8H110 I112 I141 A196 R198 T203 F204 I214 L285H110-L200 HydrophobicContact CB-CD2 4.36Å; I112-L200 HydrophobicContact CD1-CD1 3.96Å; I141-L200 HydrophobicContact CD1-CD1 4.41Å; I141-L200 HydrophobicContact CD1-CD2 3.82Å; I141-L200 HydrophobicContact CD1-CG 4.12Å; A196-L200 WeakPolarHBondContact O-CB 3.46Å; A196-L200 WeakPolarHBondContact O-CG 3.36Å; A196-L200 PolarHBondContact O-N 3.1Å; R198-L200 VanDerWaalsContact C-N 3.28Å; R198-L200 PolarHBondContact O-N 2.67Å; L200-T203 PolarHBondContact O-N 3.18Å; L200-F204 HydrophobicContact CD2-CD2 3.89Å; L200-F204 HydrophobicContact CD2-CE2 3.69Å; L200-F204 WeakPolarHBondContact O-CB 3.32Å; L200-F204 WeakPolarHBondContact O-CD2 3.31Å; L200-F204 PolarHBondContact O-N 3.29Å; L200-I214 HydrophobicContact CD1-CD1 3.63Å; L200-I214 HydrophobicContact CD1-CG1 3.79Å; L200-I214 HydrophobicContact CD1-CG2 4.38Å; L200-L285 HydrophobicContact CB-CD1 4.42Å; L200-L285 HydrophobicContact CD2-CD1 4.24Å
201R95.8Very high88.8Confident37 Ų3765.4 Ų65.414%0.1433%0.33CS..Hα-helixtrans-68.8-34.5178.3-71.1165.8174.9146.4-2113.3L197 R198 W199 I288 L289 K291 P292 A294 Y295L197-R201 WeakPolarHBondContact O-CD 3.45Å; L197-R201 VanDerWaalsContact O-CG 3.32Å; L197-R201 WeakPolarHBondContact O-CG 3.47Å; L197-R201 PolarHBondContact O-N 2.9Å; R198-R201 WeakPolarHBondContact O-CB 3.22Å; R198-R201 PolarHBondContact O-N 3.48Å; W199-R201 VanDerWaalsContact C-N 3.33Å; W199-R201 PolarHBondContact O-N 2.97Å; R201-I288 HydrophobicContact CG-CG2 4.48Å; R201-I288 PolarHBondContact NE-O 2.98Å; R201-I288 PolarHBondContact NH2-O 2.9Å; R201-L289 HydrophobicContact CB-CD2 4.41Å; R201-L289 HydrophobicContact CG-CD2 4.01Å; R201-K291 PolarHBondContact NH2-O 3.3Å; R201-P292 VanDerWaalsContact CZ-O 3.24Å; R201-P292 PolarHBondContact NH1-O 3.17Å; R201-A294 PolarHBondContact NH1-O 2.93Å; R201-A294 PolarHBondContact NH2-O 3.41Å; R201-Y295 PolarHBondContact NH1-OH 2.88Å; R201-Y295 VanDerWaalsContact NH1-OH 3.16Å
202E95.1Very high88.8Confident139 Ų13963.2 Ų63.265%0.6532%0.32SS*.Hα-helixtrans-74.8-35176.9-70.8169.217900111.5R198 W199R198-E202 VanDerWaalsContact CD-OE1 3.31Å; R198-E202 WeakPolarHBondContact CD-OE1 3.32Å; R198-E202 HydrophobicContact CG-CG 4.36Å; R198-E202 WeakPolarHBondContact CG-OE1 3.45Å; R198-E202 WeakPolarHBondContact O-CG 3.37Å; R198-E202 PolarHBondContact O-N 3.18Å; W199-E202 PolarHBondContact O-N 3.14Å
203T94.8Very high88.8Confident65 Ų6563.2 Ų63.240%0.39932%0.32SS..Hα-helixtrans-80.8-43.1-177.8-56.30000112.1W199 L200W199-T203 VanDerWaalsContact CE2-OG1 3.25Å; W199-T203 HydrophobicContact CH2-CG2 4.14Å; W199-T203 HydrophobicContact CZ2-CG2 4.07Å; W199-T203 WeakPolarHBondContact O-CB 3.35Å; W199-T203 PolarHBondContact O-N 3.42Å; W199-T203 PolarHBondContact O-OG1 2.74Å; L200-T203 PolarHBondContact O-N 3.18Å
204F91.6Very high88.8Confident27 Ų2762.9 Ų62.912%0.11832%0.319CS..SBendtrans-106.4111.4-176.7-59.8-85000110.2H110 W199 L200 L285 L289H110-F204 AromaticContact CE1-CE2 3.92Å; H110-F204 AromaticContact CE1-CZ 3.57Å; W199-F204 HydrophobicContact CH2-CE2 4.46Å; W199-F204 HydrophobicContact CZ3-CE2 4.2Å; L200-F204 HydrophobicContact CD2-CD2 3.89Å; L200-F204 HydrophobicContact CD2-CE2 3.69Å; L200-F204 WeakPolarHBondContact O-CB 3.32Å; L200-F204 WeakPolarHBondContact O-CD2 3.31Å; L200-F204 PolarHBondContact O-N 3.29Å; F204-L285 HydrophobicContact CB-CD2 4.46Å; F204-L285 HydrophobicContact CD1-CD2 4.21Å; F204-L285 HydrophobicContact CD2-CD2 4.29Å; F204-L285 HydrophobicContact CG-CD2 4.07Å; F204-L289 HydrophobicContact CB-CD1 3.81Å; F204-L289 HydrophobicContact CB-CD2 4.23Å; F204-L289 WeakPolarHBondContact O-CD2 3.49Å
205K78.4Confident88.8Confident169 Ų16961.7 Ų61.774%0.73531%0.312SS*.  trans-68.7152.6175.3-63.8-176.5-179.7179.10111N207 N208K205-N207 PolarHBondContact O-N 3.44Å; K205-N208 VanDerWaalsContact O-CB 3.24Å; K205-N208 WeakPolarHBondContact O-CB 3.14Å; K205-N208 PolarHBondContact O-N 3.46Å
206N67Low88.8Confident104 Ų10460 Ų6056%0.55630%0.304SS*.THydrogen-bonded Turntrans-57-23.8179.7-78.7-2.7000115N208 L289N206-N208 VanDerWaalsContact C-N 3.33Å; N206-L289 WeakPolarHBondContact OD1-CB 3.29Å; N206-L289 PolarHBondContact OD1-O 3.28Å; N206-L289 VanDerWaalsContact OD1-O 3.09Å
207N60.8Low88.8Confident158 Ų15860 Ų6085%0.84530%0.304SS*.THydrogen-bonded Turntrans-90.74.7179-64.4-5.8000113K205 S209K205-N207 PolarHBondContact O-N 3.44Å; N207-S209 PolarHBondContact O-N 2.98Å
208N65.3Low88.8Confident77 Ų7761.7 Ų61.741%0.41231%0.313SS..  trans-72.2117-179.3-138-2.6000108.8K205 N206 Q210K205-N208 VanDerWaalsContact O-CB 3.24Å; K205-N208 WeakPolarHBondContact O-CB 3.14Å; K205-N208 PolarHBondContact O-N 3.46Å; N206-N208 VanDerWaalsContact C-N 3.33Å; N208-Q210 PolarHBondContact O-N 3.33Å
209S64.5Low88.8Confident117 Ų11756.5 Ų56.582%0.81829%0.294SS*.  trans-73.10.3178.7-1730000112.9N207 P211N207-S209 PolarHBondContact O-N 2.98Å; S209-P211 WeakPolarHBondContact O-CD 3.46Å
210Q78.3Confident88.7Confident120 Ų12055.6 Ų55.656%0.56129%0.293SS*.  trans-71.4119.4-174.2-68-134.1-1400111.2N208 G212N208-Q210 PolarHBondContact O-N 3.33Å; Q210-G212 PolarHBondContact O-N 3.09Å
211P91.1Very high88.8Confident73 Ų7355.9 Ų55.947%0.47429%0.294SS..  trans-69.7129.5175.829.4-32.4000109.6P107 T108 S209P107-P211 WeakPolarHBondContact CA-O 3.21Å; P107-P211 HydrophobicContact CB-CB 4.01Å; P107-P211 HydrophobicContact CB-CG 4.4Å; P107-P211 HydrophobicContact CG-CB 4.05Å; P107-P211 HydrophobicContact CG-CG 4.36Å; T108-P211 PolarHBondContact N-O 3.44Å; T108-P211 VanDerWaalsContact N-O 3.15Å; S209-P211 WeakPolarHBondContact O-CD 3.46Å
212G96Very high88.9Confident1 Ų155.9 Ų55.91%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-148.2147.5-179.300000112T108 Q210 L285T108-G212 CarbonylContact O-C 3.42Å; T108-G212 VanDerWaalsContact O-CA 3.25Å; T108-G212 WeakPolarHBondContact O-CA 3.33Å; Q210-G212 PolarHBondContact O-N 3.09Å; G212-L285 VanDerWaalsContact O-CB 3.22Å; G212-L285 WeakPolarHBondContact O-CB 3.32Å; G212-L285 PolarHBondContact O-N 3.23Å
213I98.6Very high89.1Confident2 Ų250 Ų501%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-118.8137.7176.4-52.7-50.8000108.2P107 T108 I109 H110 M231 T234 A282 I283P107-I213 HydrophobicContact CB-CG1 4.49Å; T108-I213 PolarHBondContact O-N 3.32Å; I109-I213 CarbonylContact C-O 3.55Å; H110-I213 WeakPolarHBondContact CB-O 3.45Å; H110-I213 PolarHBondContact N-O 3Å; I213-M231 HydrophobicContact CG2-CG 4.44Å; I213-T234 WeakPolarHBondContact CD1-O 3.26Å; I213-A282 HydrophobicContact CG2-CB 3.74Å; I213-I283 CarbonylContact C-O 3.52Å
214I98.8Very high89.3Confident0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-107.1129.7174.6-62.3162.7000108.2H110 I112 L200 F216 A282 I283 L285 I288H110-I214 HydrophobicContact CB-CG1 4.41Å; H110-I214 WeakPolarHBondContact O-CA 3.21Å; I112-I214 HydrophobicContact CD1-CG2 3.46Å; I112-I214 VanDerWaalsContact CD1-CG2 3.46Å; I112-I214 HydrophobicContact CG1-CG2 4.25Å; L200-I214 HydrophobicContact CD1-CD1 3.63Å; L200-I214 HydrophobicContact CD1-CG1 3.79Å; L200-I214 HydrophobicContact CD1-CG2 4.38Å; I214-F216 HydrophobicContact CG2-CE2 4.29Å; I214-F216 HydrophobicContact CG2-CZ 4.18Å; I214-A282 WeakPolarHBondContact O-CA 3.47Å; I214-A282 WeakPolarHBondContact O-CB 3.15Å; I214-I283 PolarHBondContact N-O 3.02Å; I214-I283 PolarHBondContact O-N 2.94Å; I214-L285 HydrophobicContact CD1-CB 4.4Å; I214-L285 HydrophobicContact CD1-CD1 3.76Å; I214-L285 HydrophobicContact CG1-CB 4.45Å; I214-L285 HydrophobicContact CG1-CD1 4.22Å; I214-I288 HydrophobicContact CD1-CB 3.74Å; I214-I288 HydrophobicContact CD1-CG1 3.49Å; I214-I288 VanDerWaalsContact CD1-CG1 3.49Å; I214-I288 HydrophobicContact CD1-CG2 3.98Å
215Y98.9Very high89.7Confident0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-132.8131.1175.3-177.7-126000110.9H110 I111 I112 A217 Y223 L227 M231 W240 A279 F281 A282H110-Y215 PolarHBondContact O-N 3.22Å; I111-Y215 HydrophobicContact CD1-CD1 3.89Å; I111-Y215 HydrophobicContact CD1-CG 4.49Å; I112-Y215 PolarHBondContact N-O 3.02Å; Y215-A217 HydrophobicContact CD1-CB 4Å; Y215-A217 HydrophobicContact CE1-CB 3.95Å; Y215-Y223 AromaticContact CE1-CD1 3.94Å; Y215-Y223 HydrophobicContact CE1-CD1 3.94Å; Y215-Y223 AromaticContact CE1-CE1 3.72Å; Y215-Y223 HydrophobicContact CE1-CE1 3.72Å; Y215-Y223 WeakPolarHBondContact OH-CE1 3.35Å; Y215-L227 HydrophobicContact CE1-CD2 4.16Å; Y215-M231 HydrophobicContact CD1-CE 3.7Å; Y215-M231 HydrophobicContact CD1-SD 4.11Å; Y215-M231 HydrophobicContact CD2-CE 4.17Å; Y215-M231 HydrophobicContact CD2-SD 4.42Å; Y215-M231 HydrophobicContact CE1-CE 3.91Å; Y215-M231 HydrophobicContact CE2-CE 4.41Å; Y215-M231 HydrophobicContact CG-CE 3.83Å; Y215-M231 HydrophobicContact CG-SD 3.85Å; Y215-W240 HydrophobicContact CD2-CH2 4.4Å; Y215-W240 AromaticContact CD2-CZ2 3.96Å; Y215-W240 HydrophobicContact CD2-CZ2 3.96Å; Y215-W240 HydrophobicContact CE2-CH2 4.36Å; Y215-W240 AromaticContact CE2-CZ2 3.5Å; Y215-W240 HydrophobicContact CE2-CZ2 3.5Å; Y215-A279 WeakPolarHBondContact CE2-O 3.49Å; Y215-A279 PolarHBondContact OH-O 2.88Å; Y215-F281 WeakPolarHBondContact CD2-O 3.48Å; Y215-F281 WeakPolarHBondContact CE2-O 3.28Å; Y215-A282 HydrophobicContact CD2-CB 4.14Å
216F98.9Very high90.6Very high1 Ų146.8 Ų46.80%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-92.5110.6177.4-62.1-77.9000109.1I112 R193 L197 I214 M278 F281 I283 F296 L310I112-F216 HydrophobicContact CB-CD1 3.79Å; I112-F216 HydrophobicContact CB-CE1 4.16Å; I112-F216 HydrophobicContact CD1-CD1 3.94Å; I112-F216 HydrophobicContact CD1-CE1 3.43Å; I112-F216 VanDerWaalsContact CD1-CE1 3.43Å; I112-F216 HydrophobicContact CD1-CZ 4.04Å; I112-F216 HydrophobicContact CG1-CD1 4.45Å; I112-F216 HydrophobicContact CG1-CE1 4.38Å; I112-F216 HydrophobicContact CG2-CD1 3.74Å; I112-F216 HydrophobicContact CG2-CE1 4Å; R193-F216 HydrophobicContact CB-CD1 4.11Å; R193-F216 HydrophobicContact CB-CE1 3.93Å; R193-F216 HydrophobicContact CG-CD1 3.8Å; R193-F216 HydrophobicContact CG-CE1 4.16Å; L197-F216 HydrophobicContact CD1-CZ 4.31Å; L197-F216 HydrophobicContact CD2-CZ 3.99Å; L197-F216 HydrophobicContact CG-CE1 4.49Å; L197-F216 HydrophobicContact CG-CZ 4.17Å; I214-F216 HydrophobicContact CG2-CE2 4.29Å; I214-F216 HydrophobicContact CG2-CZ 4.18Å; F216-M278 HydrophobicContact CB-CG 3.66Å; F216-M278 HydrophobicContact CB-SD 3.78Å; F216-M278 HydrophobicContact CD2-SD 4.06Å; F216-M278 HydrophobicContact CG-CG 4.47Å; F216-M278 HydrophobicContact CG-SD 3.93Å; F216-F281 AromaticContact CD2-CE2 3.94Å; F216-F281 HydrophobicContact CD2-CE2 3.94Å; F216-F281 HydrophobicContact CD2-CZ 4.21Å; F216-F281 HydrophobicContact CE2-CE2 4.17Å; F216-I283 HydrophobicContact CE2-CD1 4.13Å; F216-F296 HydrophobicContact CD1-CE2 4.14Å; F216-F296 HydrophobicContact CD1-CZ 4.46Å; F216-F296 HydrophobicContact CD2-CE2 4.39Å; F216-F296 HydrophobicContact CD2-CZ 4.01Å; F216-F296 AromaticContact CE1-CE2 3.61Å; F216-F296 HydrophobicContact CE1-CE2 3.61Å; F216-F296 HydrophobicContact CE1-CZ 4.2Å; F216-F296 AromaticContact CE2-CE2 3.91Å; F216-F296 HydrophobicContact CE2-CE2 3.91Å; F216-F296 AromaticContact CE2-CZ 3.72Å; F216-F296 HydrophobicContact CE2-CZ 3.72Å; F216-F296 HydrophobicContact CG-CE2 4.5Å; F216-F296 HydrophobicContact CG-CZ 4.37Å; F216-F296 AromaticContact CZ-CE2 3.48Å; F216-F296 HydrophobicContact CZ-CE2 3.48Å; F216-F296 VanDerWaalsContact CZ-CE2 3.48Å; F216-F296 AromaticContact CZ-CZ 3.82Å; F216-F296 HydrophobicContact CZ-CZ 3.82Å; F216-L310 HydrophobicContact CE2-CD2 4.06Å; F216-L310 HydrophobicContact CZ-CD2 4.3Å
217A98.6Very high92.1Very high0 Ų041.9 Ų41.90%023%0.234CC..  trans-122.6101-173.700000109.7I111 I112 T113 Y215 Y223I111-A217 HydrophobicContact CG2-CB 3.59Å; I112-A217 PolarHBondContact O-N 2.89Å; T113-A217 VanDerWaalsContact CA-O 3.28Å; T113-A217 WeakPolarHBondContact CA-O 3.28Å; T113-A217 WeakPolarHBondContact CB-O 3.09Å; T113-A217 WeakPolarHBondContact CG2-O 3.45Å; T113-A217 PolarHBondContact OG1-O 3.33Å; Y215-A217 HydrophobicContact CD1-CB 4Å; Y215-A217 HydrophobicContact CE1-CB 3.95Å; A217-Y223 WeakPolarHBondContact CA-OH 3.19Å; A217-Y223 HydrophobicContact CB-CE1 4Å; A217-Y223 HydrophobicContact CB-CE2 4.4Å; A217-Y223 VanDerWaalsContact CB-OH 3.27Å; A217-Y223 WeakPolarHBondContact CB-OH 3.42Å
218D98.1Very high94Very high36 Ų3634.4 Ų34.419%0.19319%0.194CC..  trans-63.6147.9172.9-74.88.1000110.1R193 D220 Y223R193-D218 IonicContact CZ-OD1 3.43Å; R193-D218 IonicContact NE-OD1 2.71Å; R193-D218 VanDerWaalsContact NH2-CG 3.3Å; R193-D218 IonicContact NH2-OD1 2.72Å; R193-D218 PolarHBondContact NH2-OD1 3.42Å; R193-D218 IonicContact NH2-OD2 2.74Å; R193-D218 PolarHBondContact NH2-OD2 3.23Å; D218-D220 VanDerWaalsContact C-N 3.27Å; D218-D220 PolarHBondContact O-N 3Å; D218-Y223 PolarHBondContact N-OH 3.29Å; D218-Y223 PolarHBondContact O-OH 3.03Å
219D98Very high95.5Very high10 Ų1035.1 Ų35.15%0.05320%0.195CC..THydrogen-bonded Turntrans-73.1-13.8-168.861.93.7000114.7T113 T115 R118 L125T113-D219 HydrophobicContact CG2-CB 3.83Å; T115-D219 WeakPolarHBondContact CB-OD2 3.33Å; T115-D219 PolarHBondContact OG1-OD2 2.69Å; R118-D219 IonicContact CZ-OD1 3.71Å; R118-D219 IonicContact CZ-OD2 3.69Å; R118-D219 IonicContact NH1-OD1 3.57Å; R118-D219 IonicContact NH1-OD2 3.94Å; R118-D219 PolarHBondContact NH1-OD2 2.81Å; R118-D219 IonicContact NH2-OD1 3.8Å; R118-D219 PolarHBondContact NH2-OD1 2.82Å; R118-D219 IonicContact NH2-OD2 2.81Å; R118-D219 PolarHBondContact NH2-OD2 3.41Å; L125-D219 HydrophobicContact CD2-CB 4.05Å
220D97.8Very high97.2Very high32 Ų3232.1 Ų32.117%0.17117%0.168CC..THydrogen-bonded Turntrans-102-4.3-177.469.1-10000114.8E124 R127 D218 T335E124-D220 WeakPolarHBondContact OE2-CA 3.2Å; R127-D220 PolarHBondContact NH2-O 3.01Å; D218-D220 VanDerWaalsContact C-N 3.27Å; D218-D220 PolarHBondContact O-N 3Å; D220-T335 CarbonylContact O-C 3.13Å; D220-T335 PolarHBondContact O-OG1 3.34Å
221N98.6Very high98.1Very high6 Ų626.4 Ų26.43%0.03214%0.141CC..SBendtrans-80.6162.6179.2-81.8-149.5000111Y223 T335N221-Y223 HydrophobicContact CB-CE1 4.1Å; N221-Y223 HydrophobicContact CB-CE2 3.72Å; N221-Y223 VanDerWaalsContact CB-CZ 3.4Å; N221-Y223 WeakPolarHBondContact CB-OH 3.37Å; N221-Y223 WeakPolarHBondContact O-CE2 3.31Å; N221-T335 WeakPolarHBondContact CA-OG1 3.32Å
222S98.9Very high98.5Very high37 Ų3723.6 Ų23.626%0.25912%0.121SC..EExtended strand (participates in β ladder)trans-114.3133.6176.7-58.30000110.5V332 W333 T335S222-V332 WeakPolarHBondContact O-CA 3.33Å; S222-W333 PolarHBondContact N-O 3.12Å; S222-W333 PolarHBondContact O-N 3.27Å; S222-T335 PolarHBondContact N-OG1 2.97Å; S222-T335 WeakPolarHBondContact OG-CG2 3.46Å; S222-T335 PolarHBondContact OG-OG1 3.06Å
223Y98.8Very high98.6Very high15 Ų1527 Ų276%0.05915%0.145CC..EExtended strand (participates in β ladder)trans-126.5129.3-171.5-51.6-86.2000110.6I128 Y215 A217 D218 N221 L227 F228 V332I128-Y223 HydrophobicContact CD1-CD2 4.08Å; I128-Y223 HydrophobicContact CD1-CE2 3.51Å; I128-Y223 HydrophobicContact CG1-CD2 4.08Å; I128-Y223 HydrophobicContact CG1-CE2 4.01Å; Y215-Y223 AromaticContact CE1-CD1 3.94Å; Y215-Y223 HydrophobicContact CE1-CD1 3.94Å; Y215-Y223 AromaticContact CE1-CE1 3.72Å; Y215-Y223 HydrophobicContact CE1-CE1 3.72Å; Y215-Y223 WeakPolarHBondContact OH-CE1 3.35Å; A217-Y223 WeakPolarHBondContact CA-OH 3.19Å; A217-Y223 HydrophobicContact CB-CE1 4Å; A217-Y223 HydrophobicContact CB-CE2 4.4Å; A217-Y223 VanDerWaalsContact CB-OH 3.27Å; A217-Y223 WeakPolarHBondContact CB-OH 3.42Å; D218-Y223 PolarHBondContact N-OH 3.29Å; D218-Y223 PolarHBondContact O-OH 3.03Å; N221-Y223 HydrophobicContact CB-CE1 4.1Å; N221-Y223 HydrophobicContact CB-CE2 3.72Å; N221-Y223 VanDerWaalsContact CB-CZ 3.4Å; N221-Y223 WeakPolarHBondContact CB-OH 3.37Å; N221-Y223 WeakPolarHBondContact O-CE2 3.31Å; Y223-L227 HydrophobicContact CD1-CD2 3.85Å; Y223-F228 HydrophobicContact CG-CZ 4.36Å; Y223-V332 HydrophobicContact CD1-CG2 3.66Å; Y223-V332 HydrophobicContact CE1-CG2 3.8Å
224S98.8Very high98.6Very high26 Ų2627.1 Ų27.118%0.18215%0.146CC..  trans-79.7153.9170.466.10000111.1E226 L227 F228 L331S224-E226 VanDerWaalsContact C-N 3.28Å; S224-E226 PolarHBondContact O-N 2.84Å; S224-L227 VanDerWaalsContact O-CB 3.26Å; S224-L227 WeakPolarHBondContact O-CB 3.47Å; S224-L227 PolarHBondContact O-N 2.86Å; S224-L227 PolarHBondContact OG-N 2.95Å; S224-F228 WeakPolarHBondContact O-CD2 3.47Å; S224-F228 WeakPolarHBondContact O-CE2 3.43Å; S224-L331 WeakPolarHBondContact CB-O 3.49Å; S224-L331 PolarHBondContact N-O 2.83Å; S224-L331 WeakPolarHBondContact OG-CA 3.21Å; S224-L331 WeakPolarHBondContact OG-CB 3.33Å; S224-L331 PolarHBondContact OG-O 3.31Å
225L98.7Very high98.5Very high84 Ų8436.2 Ų36.244%0.4418%0.18SC..Hα-helixtrans-64.5-35.1175.4-60.4-176.2000112.2T131 H134 V135 L227 F228T131-L225 HydrophobicContact CG2-CD2 3.93Å; H134-L225 HydrophobicContact CB-CD1 3.78Å; H134-L225 HydrophobicContact CB-CD2 3.65Å; H134-L225 HydrophobicContact CB-CG 4.39Å; V135-L225 HydrophobicContact CG2-CD2 4.34Å; L225-L227 PolarHBondContact O-N 2.98Å; L225-F228 PolarHBondContact O-N 2.69Å; L225-F228 VanDerWaalsContact O-N 3.16Å
226E98.8Very high98.5Very high84 Ų8440.6 Ų40.639%0.39320%0.199SC..Hα-helixtrans-58-33.1177.6-170.1-176.6161.300112.3S224 F228 E229 E230 K329 L331S224-E226 VanDerWaalsContact C-N 3.28Å; S224-E226 PolarHBondContact O-N 2.84Å; E226-F228 VanDerWaalsContact C-N 3.28Å; E226-F228 PolarHBondContact O-N 3.04Å; E226-E229 PolarHBondContact O-N 2.97Å; E226-E230 WeakPolarHBondContact O-CG 3.08Å; E226-E230 PolarHBondContact O-N 2.99Å; E226-K329 IonicContact OE1-NZ 2.61Å; E226-K329 PolarHBondContact OE1-NZ 3.28Å; E226-K329 IonicContact OE2-NZ 2.78Å; E226-K329 PolarHBondContact OE2-NZ 3.31Å; E226-L331 HydrophobicContact CB-CD1 4.46Å; E226-L331 HydrophobicContact CB-CD2 4.21Å; E226-L331 HydrophobicContact CG-CD1 4.15Å; E226-L331 HydrophobicContact CG-CD2 4.28Å
227L98.9Very high98.5Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-56.7-41.3177.8-175.169.8000112.7Y215 Y223 S224 L225 E229 E230 M231 W240 L331 V332Y215-L227 HydrophobicContact CE1-CD2 4.16Å; Y223-L227 HydrophobicContact CD1-CD2 3.85Å; S224-L227 VanDerWaalsContact O-CB 3.26Å; S224-L227 WeakPolarHBondContact O-CB 3.47Å; S224-L227 PolarHBondContact O-N 2.86Å; S224-L227 PolarHBondContact OG-N 2.95Å; L225-L227 PolarHBondContact O-N 2.98Å; L227-E229 VanDerWaalsContact C-N 3.33Å; L227-E230 PolarHBondContact O-N 2.96Å; L227-M231 HydrophobicContact CD1-CE 4.42Å; L227-M231 HydrophobicContact CD2-CE 3.96Å; L227-M231 HydrophobicContact CG-CE 3.6Å; L227-M231 WeakPolarHBondContact O-CE 3.19Å; L227-M231 PolarHBondContact O-N 2.97Å; L227-M231 VanDerWaalsContact O-N 3.1Å; L227-W240 HydrophobicContact CD1-CD2 3.94Å; L227-W240 HydrophobicContact CD1-CG 4.15Å; L227-W240 HydrophobicContact CD1-CZ2 3.92Å; L227-L331 HydrophobicContact CB-CB 4.12Å; L227-L331 HydrophobicContact CD1-CB 3.88Å; L227-V332 HydrophobicContact CD2-CB 3.95Å; L227-V332 HydrophobicContact CD2-CG2 4.35Å
228F98.8Very high98.5Very high1 Ų140.6 Ų40.60%0.00420%0.199CC..Hα-helixtrans-69.6-34.4-176.8-60.7-75.9000111.6I109 I111 T131 F132 V135 Y223 S224 L225 E226 M231 R232I109-F228 HydrophobicContact CD1-CB 4.02Å; I109-F228 HydrophobicContact CD1-CD1 4.49Å; I109-F228 WeakPolarHBondContact CD1-O 3.27Å; I111-F228 HydrophobicContact CD1-CD1 4.2Å; I111-F228 HydrophobicContact CD1-CE1 3.78Å; T131-F228 HydrophobicContact CG2-CE2 4.16Å; F132-F228 HydrophobicContact CD1-CE1 4.38Å; F132-F228 AromaticContact CD1-CZ 3.95Å; F132-F228 HydrophobicContact CD1-CZ 3.95Å; F132-F228 HydrophobicContact CE1-CE1 4.04Å; F132-F228 AromaticContact CE1-CZ 3.67Å; F132-F228 HydrophobicContact CE1-CZ 3.67Å; V135-F228 HydrophobicContact CB-CG 4.47Å; V135-F228 HydrophobicContact CG1-CB 3.69Å; V135-F228 HydrophobicContact CG1-CD1 4.27Å; V135-F228 HydrophobicContact CG1-CG 3.91Å; V135-F228 HydrophobicContact CG2-CB 4.14Å; V135-F228 HydrophobicContact CG2-CD1 4.28Å; V135-F228 HydrophobicContact CG2-CD2 3.47Å; V135-F228 VanDerWaalsContact CG2-CD2 3.47Å; V135-F228 HydrophobicContact CG2-CE2 3.93Å; V135-F228 HydrophobicContact CG2-CG 3.68Å; Y223-F228 HydrophobicContact CG-CZ 4.36Å; S224-F228 WeakPolarHBondContact O-CD2 3.47Å; S224-F228 WeakPolarHBondContact O-CE2 3.43Å; L225-F228 PolarHBondContact O-N 2.69Å; L225-F228 VanDerWaalsContact O-N 3.16Å; E226-F228 VanDerWaalsContact C-N 3.28Å; E226-F228 PolarHBondContact O-N 3.04Å; F228-M231 HydrophobicContact CD1-CE 3.99Å; F228-M231 HydrophobicContact CD1-SD 4.31Å; F228-M231 HydrophobicContact CE1-CE 4.37Å; F228-M231 WeakPolarHBondContact O-CG 3.38Å; F228-R232 WeakPolarHBondContact O-CB 3.28Å; F228-R232 PolarHBondContact O-N 2.64Å
229E98.3Very high98.5Very high92 Ų9238.9 Ų38.943%0.4319%0.19SC..Hα-helixtrans-72.7-39.1175-59.6-47.4133.300111.9E226 L227 M231 R232E226-E229 PolarHBondContact O-N 2.97Å; L227-E229 VanDerWaalsContact C-N 3.33Å; E229-M231 VanDerWaalsContact C-N 3.34Å; E229-M231 PolarHBondContact O-N 3.31Å; E229-R232 PolarHBondContact O-N 2.91Å; E229-R232 IonicContact OE1-CZ 3.71Å; E229-R232 IonicContact OE1-NE 3.61Å; E229-R232 IonicContact OE1-NH2 2.92Å; E229-R232 PolarHBondContact OE1-NH2 2.75Å; E229-R232 IonicContact OE2-CZ 3.92Å; E229-R232 IonicContact OE2-NE 3.09Å; E229-R232 PolarHBondContact OE2-NE 3.28Å; E229-R232 VanDerWaalsContact OE2-NE 3.09Å; E229-R232 IonicContact OE2-NH2 3.84Å
230E98.7Very high98.6Very high54 Ų5438.5 Ų38.525%0.25219%0.188SC..Hα-helixtrans-58.5-44.3174.8-77.4-69.9107.900112.3E226 L227 S233 K323 A324 L331E226-E230 WeakPolarHBondContact O-CG 3.08Å; E226-E230 PolarHBondContact O-N 2.99Å; L227-E230 PolarHBondContact O-N 2.96Å; E230-S233 PolarHBondContact O-OG 3.43Å; E230-K323 HydrophobicContact CB-CB 4.31Å; E230-K323 WeakPolarHBondContact O-CD 2.96Å; E230-K323 WeakPolarHBondContact O-CE 3.37Å; E230-K323 PolarHBondContact O-NZ 2.84Å; E230-K323 WeakPolarHBondContact OE2-CB 3.4Å; E230-A324 PolarHBondContact OE2-N 2.91Å; E230-L331 HydrophobicContact CG-CD1 3.85Å
231M98.7Very high98.6Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-78-23.5-177.775.4175.872.900113.9I109 I213 Y215 L227 F228 E229 S233 T234 W240 A282I109-M231 HydrophobicContact CD1-CG 4.14Å; I109-M231 HydrophobicContact CD1-SD 4.43Å; I109-M231 HydrophobicContact CG2-SD 3.82Å; I213-M231 HydrophobicContact CG2-CG 4.44Å; Y215-M231 HydrophobicContact CD1-CE 3.7Å; Y215-M231 HydrophobicContact CD1-SD 4.11Å; Y215-M231 HydrophobicContact CD2-CE 4.17Å; Y215-M231 HydrophobicContact CD2-SD 4.42Å; Y215-M231 HydrophobicContact CE1-CE 3.91Å; Y215-M231 HydrophobicContact CE2-CE 4.41Å; Y215-M231 HydrophobicContact CG-CE 3.83Å; Y215-M231 HydrophobicContact CG-SD 3.85Å; L227-M231 HydrophobicContact CD1-CE 4.42Å; L227-M231 HydrophobicContact CD2-CE 3.96Å; L227-M231 HydrophobicContact CG-CE 3.6Å; L227-M231 WeakPolarHBondContact O-CE 3.19Å; L227-M231 PolarHBondContact O-N 2.97Å; L227-M231 VanDerWaalsContact O-N 3.1Å; F228-M231 HydrophobicContact CD1-CE 3.99Å; F228-M231 HydrophobicContact CD1-SD 4.31Å; F228-M231 HydrophobicContact CE1-CE 4.37Å; F228-M231 WeakPolarHBondContact O-CG 3.38Å; E229-M231 VanDerWaalsContact C-N 3.34Å; E229-M231 PolarHBondContact O-N 3.31Å; M231-S233 PolarHBondContact O-N 2.57Å; M231-S233 VanDerWaalsContact O-N 3.11Å; M231-T234 VanDerWaalsContact O-CB 3.29Å; M231-T234 WeakPolarHBondContact O-CB 3.39Å; M231-T234 PolarHBondContact O-N 2.71Å; M231-T234 PolarHBondContact O-OG1 3.44Å; M231-W240 HydrophobicContact CB-CH2 3.5Å; M231-W240 HydrophobicContact CB-CZ3 3.71Å; M231-W240 HydrophobicContact CE-CH2 3.94Å; M231-W240 HydrophobicContact CE-CZ2 4.06Å; M231-W240 HydrophobicContact SD-CH2 4.49Å; M231-A282 HydrophobicContact CB-CB 4Å; M231-A282 HydrophobicContact SD-CB 4.33Å
232R98.2Very high98.6Very high14 Ų1436.9 Ų36.95%0.05318%0.18CC..Hα-helixtrans-58.2-30.6-174.2-163.7179.6-60.7-833.9113.1P107 I109 P136 F228 E229 T234P107-R232 HydrophobicContact CB-CG 4.13Å; P107-R232 HydrophobicContact CG-CG 4.17Å; P107-R232 PolarHBondContact O-NH1 3.22Å; I109-R232 HydrophobicContact CD1-CB 4.35Å; I109-R232 HydrophobicContact CD1-CG 4.48Å; P136-R232 PolarHBondContact O-NH1 3Å; P136-R232 PolarHBondContact O-NH2 2.89Å; F228-R232 WeakPolarHBondContact O-CB 3.28Å; F228-R232 PolarHBondContact O-N 2.64Å; E229-R232 PolarHBondContact O-N 2.91Å; E229-R232 IonicContact OE1-CZ 3.71Å; E229-R232 IonicContact OE1-NE 3.61Å; E229-R232 IonicContact OE1-NH2 2.92Å; E229-R232 PolarHBondContact OE1-NH2 2.75Å; E229-R232 IonicContact OE2-CZ 3.92Å; E229-R232 IonicContact OE2-NE 3.09Å; E229-R232 PolarHBondContact OE2-NE 3.28Å; E229-R232 VanDerWaalsContact OE2-NE 3.09Å; E229-R232 IonicContact OE2-NH2 3.84Å; R232-T234 VanDerWaalsContact C-N 3.33Å; R232-T234 PolarHBondContact O-N 2.96Å
233S97.8Very high98.6Very high73 Ų7335.3 Ų35.351%0.5117%0.169SC..THydrogen-bonded Turntrans-89.316.5-179.756.70000114.7E230 M231 R235 K323E230-S233 PolarHBondContact O-OG 3.43Å; M231-S233 PolarHBondContact O-N 2.57Å; M231-S233 VanDerWaalsContact O-N 3.11Å; S233-R235 PolarHBondContact O-N 3.3Å; S233-K323 PolarHBondContact OG-NZ 3.45Å
234T98.6Very high98.6Very high4 Ų440.2 Ų40.23%0.02519%0.191CC..  trans-68.5127.2-178.8-59.70000112.3I213 M231 R232 S238 N284I213-T234 WeakPolarHBondContact CD1-O 3.26Å; M231-T234 VanDerWaalsContact O-CB 3.29Å; M231-T234 WeakPolarHBondContact O-CB 3.39Å; M231-T234 PolarHBondContact O-N 2.71Å; M231-T234 PolarHBondContact O-OG1 3.44Å; R232-T234 VanDerWaalsContact C-N 3.33Å; R232-T234 PolarHBondContact O-N 2.96Å; T234-S238 VanDerWaalsContact OG1-CB 3.25Å; T234-S238 WeakPolarHBondContact OG1-CB 3.45Å; T234-S238 PolarHBondContact OG1-OG 3.04Å; T234-N284 PolarHBondContact O-ND2 3.06Å
235R97.8Very high98.6Very high191 Ų19139.4 Ų39.472%0.72118%0.184SC*.SBendtrans-98.7-38.9179.1-66.9172.8-70-132.4-6.3112.7S233 N284 E321S233-R235 PolarHBondContact O-N 3.3Å; R235-N284 VanDerWaalsContact O-CB 3.24Å; R235-N284 WeakPolarHBondContact O-CB 3.4Å; R235-E321 WeakPolarHBondContact CA-OE1 3.29Å; R235-E321 WeakPolarHBondContact CB-OE1 3.48Å; R235-E321 IonicContact CZ-OE2 3.28Å; R235-E321 VanDerWaalsContact CZ-OE2 3.28Å; R235-E321 PolarHBondContact N-OE1 2.65Å; R235-E321 IonicContact NE-OE2 2.93Å; R235-E321 PolarHBondContact NE-OE2 2.97Å; R235-E321 IonicContact NH2-OE2 2.83Å; R235-E321 PolarHBondContact NH2-OE2 3.43Å
236K98.1Very high98.4Very high93 Ų9337.3 Ų37.340%0.40418%0.183SC..SBendtrans-121.4-84.2173.3-65.2-173-177.1-173.20109.9N284 L287 V315 D319 E321K236-N284 PolarHBondContact O-N 3.41Å; K236-L287 HydrophobicContact CB-CD2 4.39Å; K236-V315 HydrophobicContact CB-CG1 4.2Å; K236-D319 HydrophobicContact CD-CB 3.89Å; K236-D319 IonicContact NZ-OD1 2.7Å; K236-D319 PolarHBondContact NZ-OD1 2.87Å; K236-E321 PolarHBondContact N-OE1 3.46Å
237V98.9Very high98.3Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-140.4121.8178.31760000108.5V239 F281 A282 I283 L287 L311 V315 L320 E321V237-V239 HydrophobicContact CG1-CG1 4.47Å; V237-F281 HydrophobicContact CG1-CB 4.35Å; V237-A282 VanDerWaalsContact CA-O 3.31Å; V237-A282 WeakPolarHBondContact CA-O 3.39Å; V237-I283 HydrophobicContact CG2-CB 4.5Å; V237-I283 HydrophobicContact CG2-CG1 4.21Å; V237-I283 HydrophobicContact CG2-CG2 4.13Å; V237-L287 HydrophobicContact CG2-CD2 3.97Å; V237-L311 HydrophobicContact CG1-CD2 3.98Å; V237-L311 HydrophobicContact CG2-CD2 4.45Å; V237-V315 HydrophobicContact CB-CG1 4.15Å; V237-V315 HydrophobicContact CB-CG2 4.07Å; V237-V315 HydrophobicContact CG2-CB 4.32Å; V237-V315 HydrophobicContact CG2-CG1 3.55Å; V237-V315 HydrophobicContact CG2-CG2 3.76Å; V237-L320 HydrophobicContact CB-CD2 3.91Å; V237-L320 HydrophobicContact CG1-CD2 3.69Å; V237-L320 WeakPolarHBondContact O-CA 3.27Å; V237-E321 PolarHBondContact O-N 2.92Å
238S98.9Very high98.2Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-96.5148.1174.957.90000111.1T234 W240 F281 A282 E321T234-S238 VanDerWaalsContact OG1-CB 3.25Å; T234-S238 WeakPolarHBondContact OG1-CB 3.45Å; T234-S238 PolarHBondContact OG1-OG 3.04Å; S238-W240 WeakPolarHBondContact OG-CZ3 3.42Å; S238-F281 WeakPolarHBondContact O-CA 3.49Å; S238-F281 VanDerWaalsContact O-CB 3.29Å; S238-F281 WeakPolarHBondContact O-CB 3.37Å; S238-A282 PolarHBondContact N-O 3.41Å; S238-A282 PolarHBondContact O-N 3.49Å; S238-A282 VanDerWaalsContact O-N 3.09Å; S238-E321 CarbonylContact C-O 3.5Å; S238-E321 WeakPolarHBondContact CA-O 3.38Å
239V98.9Very high98.2Very high0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-135.1150179-640000112.2V237 P253 V261 I276 G280 F281 L320 E321 K323V237-V239 HydrophobicContact CG1-CG1 4.47Å; V239-P253 HydrophobicContact CB-CG 3.96Å; V239-P253 HydrophobicContact CG2-CB 4.14Å; V239-P253 HydrophobicContact CG2-CG 3.73Å; V239-V261 HydrophobicContact CG2-CG2 3.85Å; V239-I276 HydrophobicContact CB-CD1 3.91Å; V239-I276 HydrophobicContact CG1-CD1 3.92Å; V239-G280 CarbonylContact C-O 3.46Å; V239-G280 WeakPolarHBondContact CA-O 3.09Å; V239-F281 HydrophobicContact CG1-CB 4.03Å; V239-L320 HydrophobicContact CG1-CD1 4.23Å; V239-L320 HydrophobicContact CG1-CD2 4.01Å; V239-L320 HydrophobicContact CG2-CB 4.27Å; V239-E321 PolarHBondContact N-O 2.78Å; V239-K323 PolarHBondContact O-N 3.41Å
240W98.9Very high98.3Very high2 Ų250.5 Ų50.51%0.00826%0.257CS..  trans-150.6166.2178.645.980000112.1Y215 L227 M231 S238 A279 G280 A282 K323 A324Y215-W240 HydrophobicContact CD2-CH2 4.4Å; Y215-W240 AromaticContact CD2-CZ2 3.96Å; Y215-W240 HydrophobicContact CD2-CZ2 3.96Å; Y215-W240 HydrophobicContact CE2-CH2 4.36Å; Y215-W240 AromaticContact CE2-CZ2 3.5Å; Y215-W240 HydrophobicContact CE2-CZ2 3.5Å; L227-W240 HydrophobicContact CD1-CD2 3.94Å; L227-W240 HydrophobicContact CD1-CG 4.15Å; L227-W240 HydrophobicContact CD1-CZ2 3.92Å; M231-W240 HydrophobicContact CB-CH2 3.5Å; M231-W240 HydrophobicContact CB-CZ3 3.71Å; M231-W240 HydrophobicContact CE-CH2 3.94Å; M231-W240 HydrophobicContact CE-CZ2 4.06Å; M231-W240 HydrophobicContact SD-CH2 4.49Å; S238-W240 WeakPolarHBondContact OG-CZ3 3.42Å; W240-A279 PolarHBondContact NE1-O 3.25Å; W240-G280 PolarHBondContact N-O 3.46Å; W240-A282 HydrophobicContact CH2-CB 3.53Å; W240-A282 HydrophobicContact CZ2-CB 4.41Å; W240-A282 HydrophobicContact CZ3-CB 4.25Å; W240-K323 HydrophobicContact CB-CB 4.37Å; W240-K323 HydrophobicContact CE3-CB 3.85Å; W240-K323 HydrophobicContact CE3-CG 3.84Å; W240-K323 HydrophobicContact CZ3-CG 4.17Å; W240-A324 HydrophobicContact CB-CB 4.02Å
241P98.9Very high98.3Very high2 Ų248.5 Ų48.51%0.01325%0.247CC..  trans-65.3148.3173.2-23.436.5000113.2E251 C327 K329 I330P241-E251 VanDerWaalsContact CA-O 3.28Å; P241-E251 WeakPolarHBondContact CA-O 3.36Å; P241-C327 VanDerWaalsContact CG-C 3.48Å; P241-C327 HydrophobicContact CG-CB 3.85Å; P241-C327 WeakPolarHBondContact CG-O 3.13Å; P241-K329 WeakPolarHBondContact CD-O 3.43Å; P241-K329 WeakPolarHBondContact CG-O 3.46Å; P241-I330 HydrophobicContact CB-CD1 3.45Å; P241-I330 VanDerWaalsContact CB-CD1 3.45Å; P241-I330 HydrophobicContact CG-CD1 4.42Å
242V98.9Very high98.2Very high3 Ų348.8 Ų48.82%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-126.9131175-174.60000108.9V245 Y250 E251 D277 A279 V332 H334V242-V245 HydrophobicContact CB-CG1 4.37Å; V242-V245 HydrophobicContact CB-CG2 4.03Å; V242-V245 HydrophobicContact CG1-CG1 3.66Å; V242-V245 HydrophobicContact CG1-CG2 4.2Å; V242-V245 WeakPolarHBondContact O-CG2 3.2Å; V242-Y250 CarbonylContact O-C 3.44Å; V242-Y250 WeakPolarHBondContact O-CA 3.16Å; V242-Y250 VanDerWaalsContact O-CB 3.28Å; V242-Y250 WeakPolarHBondContact O-CB 3.44Å; V242-E251 PolarHBondContact N-O 3.18Å; V242-E251 PolarHBondContact O-N 3.38Å; V242-D277 HydrophobicContact CB-CB 4.48Å; V242-D277 HydrophobicContact CG1-CB 4.43Å; V242-D277 HydrophobicContact CG2-CB 4.36Å; V242-A279 HydrophobicContact CG1-CB 4.44Å; V242-V332 HydrophobicContact CB-CG1 4.31Å; V242-V332 HydrophobicContact CG1-CG1 4.22Å; V242-V332 HydrophobicContact CG2-CG1 3.9Å; V242-H334 HydrophobicContact CG1-CB 4.31Å
243A98.9Very high98.3Very high4 Ų448.2 Ų48.23%0.03325%0.247CC..EExtended strand (participates in β ladder)trans-83.9154175.100000113V245 R249 I330 V332 W333 H334A243-V245 VanDerWaalsContact C-N 3.33Å; A243-V245 PolarHBondContact O-N 3.45Å; A243-R249 VanDerWaalsContact CA-O 3.32Å; A243-R249 WeakPolarHBondContact CA-O 3.3Å; A243-R249 WeakPolarHBondContact CB-O 3.22Å; A243-I330 HydrophobicContact CB-CG2 3.61Å; A243-V332 PolarHBondContact N-O 3.4Å; A243-V332 VanDerWaalsContact N-O 3.11Å; A243-W333 HydrophobicContact CB-CB 4.31Å; A243-W333 HydrophobicContact CB-CG 3.97Å; A243-H334 WeakPolarHBondContact O-CB 3.44Å; A243-H334 PolarHBondContact O-N 3.5Å
244F98.4Very high98.3Very high118 Ų11848.3 Ų48.352%0.51824%0.238SC..SBendtrans62.731.2174.2-44.1-42.8000115.4R249 W333F244-R249 PolarHBondContact N-O 3.39Å; F244-W333 HydrophobicContact CD2-CB 3.99Å; F244-W333 HydrophobicContact CD2-CG 4.49Å; F244-W333 HydrophobicContact CE2-CB 4.01Å; F244-W333 AromaticContact CE2-CD1 3.5Å; F244-W333 HydrophobicContact CE2-CG 4.12Å; F244-W333 AromaticContact CZ-CD1 3.94Å
245V97.8Very high98.3Very high8 Ų849.6 Ų49.65%0.04825%0.246CC..  trans-115.1161.4175.9-64.10000111V242 A243 G247 L248 E251 D277 H334V242-V245 HydrophobicContact CB-CG1 4.37Å; V242-V245 HydrophobicContact CB-CG2 4.03Å; V242-V245 HydrophobicContact CG1-CG1 3.66Å; V242-V245 HydrophobicContact CG1-CG2 4.2Å; V242-V245 WeakPolarHBondContact O-CG2 3.2Å; A243-V245 VanDerWaalsContact C-N 3.33Å; A243-V245 PolarHBondContact O-N 3.45Å; V245-G247 PolarHBondContact O-N 3.39Å; V245-L248 PolarHBondContact O-N 2.66Å; V245-E251 HydrophobicContact CG2-CB 3.78Å; V245-E251 HydrophobicContact CG2-CG 3.9Å; V245-D277 HydrophobicContact CB-CB 4.36Å; V245-D277 HydrophobicContact CG1-CB 3.91Å; V245-D277 HydrophobicContact CG2-CB 4.47Å; V245-H334 HydrophobicContact CG1-CB 3.41Å; V245-H334 VanDerWaalsContact CG1-CB 3.41Å
246G95.4Very high98.3Very high41 Ų4143.7 Ų43.742%0.42323%0.229SC..THydrogen-bonded Turntrans62.714.6174.900000115.7L248G246-L248 VanDerWaalsContact C-N 3.29Å
247G96.1Very high98.2Very high84 Ų8444.8 Ų44.887%0.86626%0.256SS*.THydrogen-bonded Turntrans72.720.6-172.200000113.7V245V245-G247 PolarHBondContact O-N 3.39Å
248L98.1Very high98.1Very high60 Ų6048.7 Ų48.731%0.31429%0.288SS..SBendtrans-120.6167.7-176.1-62.4172.7000111.5V245 G246 Y250 E251 V267V245-L248 PolarHBondContact O-N 2.66Å; G246-L248 VanDerWaalsContact C-N 3.29Å; L248-Y250 PolarHBondContact O-N 2.8Å; L248-E251 HydrophobicContact CD1-CG 3.96Å; L248-V267 HydrophobicContact CD1-CB 4.25Å; L248-V267 HydrophobicContact CD1-CG2 3.97Å; L248-V267 HydrophobicContact CD2-CG2 3.93Å; L248-V267 HydrophobicContact CG-CG2 4.44Å
249R98.5Very high97.9Very high207 Ų20749.8 Ų49.878%0.78130%0.299SS*.SBendtrans-58.2-41.9167.2-69.5-179.864.7-151.8-0.3110.8A243 F244A243-R249 VanDerWaalsContact CA-O 3.32Å; A243-R249 WeakPolarHBondContact CA-O 3.3Å; A243-R249 WeakPolarHBondContact CB-O 3.22Å; F244-R249 PolarHBondContact N-O 3.39Å
250Y98.7Very high97.8Very high103 Ų10354 Ų5440%0.40432%0.317SS..EExtended strand (participates in β ladder)trans-160.1156.4172.863.9-90.7000110.9V242 L248 I330V242-Y250 CarbonylContact O-C 3.44Å; V242-Y250 WeakPolarHBondContact O-CA 3.16Å; V242-Y250 VanDerWaalsContact O-CB 3.28Å; V242-Y250 WeakPolarHBondContact O-CB 3.44Å; L248-Y250 PolarHBondContact O-N 2.8Å; Y250-I330 HydrophobicContact CD1-CD1 4.28Å; Y250-I330 HydrophobicContact CD2-CD1 4.09Å; Y250-I330 HydrophobicContact CG-CD1 3.78Å
251E98.8Very high97.8Very high12 Ų1253.9 Ų53.96%0.05632%0.317CS..EExtended strand (participates in β ladder)trans-107150160.4-71.5-173.3158.400109.1P241 V242 V245 L248 K265 A266 R272P241-E251 VanDerWaalsContact CA-O 3.28Å; P241-E251 WeakPolarHBondContact CA-O 3.36Å; V242-E251 PolarHBondContact N-O 3.18Å; V242-E251 PolarHBondContact O-N 3.38Å; V245-E251 HydrophobicContact CG2-CB 3.78Å; V245-E251 HydrophobicContact CG2-CG 3.9Å; L248-E251 HydrophobicContact CD1-CG 3.96Å; E251-K265 WeakPolarHBondContact CA-O 3.49Å; E251-A266 HydrophobicContact CG-CB 4.09Å; E251-A266 VanDerWaalsContact OE1-CB 3.27Å; E251-A266 WeakPolarHBondContact OE1-CB 3.42Å; E251-R272 IonicContact OE2-NH2 3.82Å
252S98.6Very high97.7Very high5 Ų560.5 Ų60.54%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-148.7142.6-175.8168.80000112.3K265 C327S252-K265 PolarHBondContact N-O 3.27Å; S252-K265 WeakPolarHBondContact O-CA 3.25Å; S252-K265 VanDerWaalsContact O-CB 3.29Å; S252-K265 WeakPolarHBondContact O-CB 3.27Å; S252-K265 PolarHBondContact O-N 3.28Å; S252-C327 PolarHBondContact OG-O 2.79Å
253P98.6Very high97.7Very high3 Ų361 Ų612%0.01935%0.348CS..EExtended strand (participates in β ladder)trans-59.8140.9167.8-19.130000112V239 V261 W264 C327V239-P253 HydrophobicContact CB-CG 3.96Å; V239-P253 HydrophobicContact CG2-CB 4.14Å; V239-P253 HydrophobicContact CG2-CG 3.73Å; P253-V261 HydrophobicContact CB-CG1 4.15Å; P253-V261 HydrophobicContact CB-CG2 4.25Å; P253-W264 HydrophobicContact CB-CE3 4.24Å; P253-W264 HydrophobicContact CB-CZ3 4.09Å; P253-W264 HydrophobicContact CG-CE3 4.34Å; P253-W264 HydrophobicContact CG-CZ3 3.97Å; P253-C327 HydrophobicContact CB-CB 4.4Å; P253-C327 HydrophobicContact CG-CB 4.36Å
254K98.5Very high97.7Very high74 Ų7461.2 Ų61.232%0.32235%0.348SS..EExtended strand (participates in β ladder)trans-84.8117.3168.9-67.81771761650109V261 Y262 G263 W264 K265K254-V261 VanDerWaalsContact O-CA 3.31Å; K254-V261 WeakPolarHBondContact O-CA 3.46Å; K254-Y262 HydrophobicContact CB-CD1 4.1Å; K254-Y262 HydrophobicContact CB-CD2 4.38Å; K254-Y262 HydrophobicContact CB-CE1 3.67Å; K254-Y262 HydrophobicContact CB-CE2 3.95Å; K254-Y262 HydrophobicContact CB-CG 4.46Å; K254-Y262 HydrophobicContact CD-CE2 3.95Å; K254-Y262 VanDerWaalsContact O-CD1 3.32Å; K254-Y262 WeakPolarHBondContact O-CD1 3.43Å; K254-Y262 PolarHBondContact O-N 2.78Å; K254-G263 WeakPolarHBondContact CB-O 3.43Å; K254-G263 PolarHBondContact N-O 2.97Å; K254-W264 WeakPolarHBondContact CE-O 3.35Å; K254-W264 PolarHBondContact NZ-O 3.47Å; K254-K265 HydrophobicContact CD-CG 4.29Å; K254-K265 HydrophobicContact CG-CD 4.44Å; K254-K265 HydrophobicContact CG-CG 3.47Å; K254-K265 VanDerWaalsContact CG-CG 3.47Å
255V98.5Very high97.7Very high31 Ų3160.7 Ų60.719%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-109.7132.9-179.6-171.20000109.2K260 V261 P322 N326 C327V255-K260 CarbonylContact C-O 3.55Å; V255-K260 WeakPolarHBondContact CA-O 3.32Å; V255-V261 HydrophobicContact CG2-CG2 4.48Å; V255-P322 HydrophobicContact CG1-CB 4.24Å; V255-P322 HydrophobicContact CG1-CG 3.94Å; V255-P322 HydrophobicContact CG2-CB 3.66Å; V255-P322 HydrophobicContact CG2-CG 4.25Å; V255-N326 HydrophobicContact CG1-CB 4.43Å; V255-C327 HydrophobicContact CG2-CB 4.03Å
256N97.6Very high97.7Very high67 Ų6761.1 Ų61.136%0.35835%0.35SS..  trans-86.2175.8176.26816.5000111.6A258 G259 K260 Y262N256-A258 PolarHBondContact O-N 2.89Å; N256-A258 VanDerWaalsContact O-N 3.13Å; N256-A258 WeakPolarHBondContact OD1-CA 3.31Å; N256-A258 WeakPolarHBondContact OD1-CB 3.45Å; N256-A258 PolarHBondContact OD1-N 3.29Å; N256-G259 PolarHBondContact O-N 2.98Å; N256-G259 PolarHBondContact OD1-N 3.03Å; N256-K260 PolarHBondContact N-O 3.24Å; N256-K260 PolarHBondContact OD1-N 3.06Å; N256-K260 PolarHBondContact OD1-O 2.92Å; N256-Y262 HydrophobicContact CB-CD1 3.78Å; N256-Y262 HydrophobicContact CB-CE1 4.08Å
257A96.3Very high97.7Very high117 Ų11764.4 Ų64.497%0.96736%0.362SS*.THydrogen-bonded Turntrans-60.8-22.2179.300000113.9G259A257-G259 VanDerWaalsContact C-N 3.26Å; A257-G259 PolarHBondContact O-N 3.09Å
258A96.1Very high97.6Very high81 Ų8165.1 Ų65.167%0.66934%0.341SS*.THydrogen-bonded Turntrans-85.17.6175.700000113.3N256 K260N256-A258 PolarHBondContact O-N 2.89Å; N256-A258 VanDerWaalsContact O-N 3.13Å; N256-A258 WeakPolarHBondContact OD1-CA 3.31Å; N256-A258 WeakPolarHBondContact OD1-CB 3.45Å; N256-A258 PolarHBondContact OD1-N 3.29Å; A258-K260 VanDerWaalsContact C-N 3.31Å; A258-K260 PolarHBondContact O-N 2.95Å
259G95.3Very high97.4Very high23 Ų2364.3 Ų64.324%0.23734%0.337CS..SBendtrans71.424.6-179.400000113.6N256 A257 P322N256-G259 PolarHBondContact O-N 2.98Å; N256-G259 PolarHBondContact OD1-N 3.03Å; A257-G259 VanDerWaalsContact C-N 3.26Å; A257-G259 PolarHBondContact O-N 3.09Å; G259-P322 WeakPolarHBondContact O-CD 3.43Å; G259-P322 VanDerWaalsContact O-CG 3.22Å; G259-P322 WeakPolarHBondContact O-CG 3.4Å
260K97.9Very high97.3Very high89 Ų8956.3 Ų56.339%0.38731%0.312SS..  trans-109.5139.1179.8-65.3-60.1-171.5173.60112.3V255 N256 A258 Y262 N318V255-K260 CarbonylContact C-O 3.55Å; V255-K260 WeakPolarHBondContact CA-O 3.32Å; N256-K260 PolarHBondContact N-O 3.24Å; N256-K260 PolarHBondContact OD1-N 3.06Å; N256-K260 PolarHBondContact OD1-O 2.92Å; A258-K260 VanDerWaalsContact C-N 3.31Å; A258-K260 PolarHBondContact O-N 2.95Å; K260-Y262 PolarHBondContact O-N 3.22Å; K260-N318 PolarHBondContact NZ-O 2.61Å
261V98.4Very high97.2Very high0 Ų059.7 Ų59.70%033%0.331CS..EExtended strand (participates in β ladder)trans-74123.4174.2-178.60000108.9V239 P253 K254 V255 W264 L320 P322V239-V261 HydrophobicContact CG2-CG2 3.85Å; P253-V261 HydrophobicContact CB-CG1 4.15Å; P253-V261 HydrophobicContact CB-CG2 4.25Å; K254-V261 VanDerWaalsContact O-CA 3.31Å; K254-V261 WeakPolarHBondContact O-CA 3.46Å; V255-V261 HydrophobicContact CG2-CG2 4.48Å; V261-W264 HydrophobicContact CG1-CH2 4.5Å; V261-L320 HydrophobicContact CB-CB 4.17Å; V261-L320 HydrophobicContact CB-CD1 4.08Å; V261-L320 HydrophobicContact CG1-CD1 3.96Å; V261-L320 HydrophobicContact CG2-CB 3.86Å; V261-L320 HydrophobicContact CG2-CD1 4.27Å; V261-P322 HydrophobicContact CG2-CB 4.38Å
262Y97.3Very high97Very high140 Ų14059.7 Ų59.755%0.54933%0.331SS..EExtended strand (participates in β ladder)trans-119.6-0.817971.4-91.3000113.3K254 N256 K260K254-Y262 HydrophobicContact CB-CD1 4.1Å; K254-Y262 HydrophobicContact CB-CD2 4.38Å; K254-Y262 HydrophobicContact CB-CE1 3.67Å; K254-Y262 HydrophobicContact CB-CE2 3.95Å; K254-Y262 HydrophobicContact CB-CG 4.46Å; K254-Y262 HydrophobicContact CD-CE2 3.95Å; K254-Y262 VanDerWaalsContact O-CD1 3.32Å; K254-Y262 WeakPolarHBondContact O-CD1 3.43Å; K254-Y262 PolarHBondContact O-N 2.78Å; N256-Y262 HydrophobicContact CB-CD1 3.78Å; N256-Y262 HydrophobicContact CB-CE1 4.08Å; K260-Y262 PolarHBondContact O-N 3.22Å
263G97.9Very high97Very high13 Ų1361.9 Ų61.913%0.13434%0.344CS..EExtended strand (participates in β ladder)trans168-161.1178.400000111.8K254K254-G263 WeakPolarHBondContact CB-O 3.43Å; K254-G263 PolarHBondContact N-O 2.97Å
264W98.6Very high96.9Very high9 Ų962 Ų623%0.03435%0.345CS..EExtended strand (participates in β ladder)trans-133.6140.2-170.2-48.198.5000111.7P253 K254 V261 A266 P273 F274 A275 I276 L320P253-W264 HydrophobicContact CB-CE3 4.24Å; P253-W264 HydrophobicContact CB-CZ3 4.09Å; P253-W264 HydrophobicContact CG-CE3 4.34Å; P253-W264 HydrophobicContact CG-CZ3 3.97Å; K254-W264 WeakPolarHBondContact CE-O 3.35Å; K254-W264 PolarHBondContact NZ-O 3.47Å; V261-W264 HydrophobicContact CG1-CH2 4.5Å; W264-A266 PolarHBondContact O-N 3.21Å; W264-P273 PolarHBondContact NE1-O 3.02Å; W264-F274 HydrophobicContact CH2-CB 4.45Å; W264-F274 HydrophobicContact CH2-CD1 4.14Å; W264-F274 HydrophobicContact CZ2-CB 4.03Å; W264-F274 AromaticContact CZ2-CD1 3.8Å; W264-F274 HydrophobicContact CZ2-CD1 3.8Å; W264-F274 HydrophobicContact CZ2-CG 4.27Å; W264-A275 HydrophobicContact CB-CB 3.56Å; W264-A275 VanDerWaalsContact CD1-CB 3.44Å; W264-A275 HydrophobicContact CD2-CB 3.97Å; W264-A275 HydrophobicContact CG-CB 3.35Å; W264-I276 HydrophobicContact CE3-CB 4.21Å; W264-I276 HydrophobicContact CH2-CB 4.27Å; W264-I276 HydrophobicContact CH2-CG2 4.45Å; W264-I276 HydrophobicContact CZ3-CB 3.75Å; W264-I276 HydrophobicContact CZ3-CD1 3.99Å; W264-I276 HydrophobicContact CZ3-CG1 4.25Å; W264-I276 HydrophobicContact CZ3-CG2 4.39Å; W264-L320 HydrophobicContact CH2-CD1 3.79Å; W264-L320 HydrophobicContact CZ2-CD1 4.09Å
265K98.1Very high96.9Very high108 Ų10858.6 Ų58.647%0.4733%0.33SS..EExtended strand (participates in β ladder)trans-92.384.4167.9-58.6-177.6-178.6171.60107.4E251 S252 K254E251-K265 WeakPolarHBondContact CA-O 3.49Å; S252-K265 PolarHBondContact N-O 3.27Å; S252-K265 WeakPolarHBondContact O-CA 3.25Å; S252-K265 VanDerWaalsContact O-CB 3.29Å; S252-K265 WeakPolarHBondContact O-CB 3.27Å; S252-K265 PolarHBondContact O-N 3.28Å; K254-K265 HydrophobicContact CD-CG 4.29Å; K254-K265 HydrophobicContact CG-CD 4.44Å; K254-K265 HydrophobicContact CG-CG 3.47Å; K254-K265 VanDerWaalsContact CG-CG 3.47Å
266A97.6Very high96.9Very high17 Ų1757.4 Ų57.414%0.1432%0.323CS..  trans-140.8156-179.800000109.5E251 W264 P270 A275E251-A266 HydrophobicContact CG-CB 4.09Å; E251-A266 VanDerWaalsContact OE1-CB 3.27Å; E251-A266 WeakPolarHBondContact OE1-CB 3.42Å; W264-A266 PolarHBondContact O-N 3.21Å; A266-P270 HydrophobicContact CB-CB 4.29Å; A266-P270 WeakPolarHBondContact O-CB 3.42Å; A266-A275 HydrophobicContact CB-CB 4.45Å
267V96.9Very high97Very high109 Ų10955.6 Ų55.666%0.66131%0.313SS*.SBendtrans-99.8-40.7173.5169.10000110.9L248 D269L248-V267 HydrophobicContact CD1-CB 4.25Å; L248-V267 HydrophobicContact CD1-CG2 3.97Å; L248-V267 HydrophobicContact CD2-CG2 3.93Å; L248-V267 HydrophobicContact CG-CG2 4.44Å; V267-D269 PolarHBondContact O-N 2.71Å
268F93.8Very high97Very high100 Ų10050.4 Ų50.444%0.43927%0.269SS..SBendtrans-77108.7177179.2-96.9000110.7G303F268-G303 WeakPolarHBondContact CE1-O 3.3Å; F268-G303 WeakPolarHBondContact CZ-O 3.28Å
269D94.1Very high97.2Very high43 Ų4346.7 Ų46.723%0.2324%0.238CC..  trans45.260.2173.9-155.5-14.8000113.7V267 H271 R272 K302 Y305V267-D269 PolarHBondContact O-N 2.71Å; D269-H271 PolarHBondContact O-N 3.23Å; D269-R272 WeakPolarHBondContact O-CG 3.29Å; D269-R272 PolarHBondContact O-N 2.79Å; D269-R272 VanDerWaalsContact O-N 3.1Å; D269-K302 IonicContact OD2-NZ 3.68Å; D269-K302 PolarHBondContact OD2-NZ 3.06Å; D269-Y305 PolarHBondContact OD1-OH 3.04Å; D269-Y305 VanDerWaalsContact OD2-CE2 3.26Å; D269-Y305 WeakPolarHBondContact OD2-CE2 3.38Å; D269-Y305 VanDerWaalsContact OD2-CZ 3.27Å; D269-Y305 PolarHBondContact OD2-OH 3.1Å
270P95.8Very high97.3Very high39 Ų3945.6 Ų45.625%0.25323%0.227SC..THydrogen-bonded Turntrans-67-11.3-171.927-35.6000114.3A266A266-P270 HydrophobicContact CB-CB 4.29Å; A266-P270 WeakPolarHBondContact O-CB 3.42Å
271H96.1Very high97.4Very high174 Ų17441.3 Ų41.381%0.80621%0.209SC*.THydrogen-bonded Turntrans-92.40.4178.8-56.7104.4000112.8D269D269-H271 PolarHBondContact O-N 3.23Å
272R95.9Very high97.4Very high12 Ų1241.3 Ų41.35%0.04521%0.209CC..SBendtrans-57.8145.4170.168.5-172.8165.1115.56.8109.7E251 D269 F274 A275 I276 G304 Y305 E307E251-R272 IonicContact OE2-NH2 3.82Å; D269-R272 WeakPolarHBondContact O-CG 3.29Å; D269-R272 PolarHBondContact O-N 2.79Å; D269-R272 VanDerWaalsContact O-N 3.1Å; R272-F274 PolarHBondContact NH1-O 2.97Å; R272-F274 PolarHBondContact O-N 3.26Å; R272-F274 VanDerWaalsContact O-N 3.08Å; R272-A275 VanDerWaalsContact CG-CA 3.47Å; R272-A275 HydrophobicContact CG-CB 3.37Å; R272-A275 VanDerWaalsContact NE-CA 3.3Å; R272-I276 PolarHBondContact NH1-O 2.97Å; R272-I276 VanDerWaalsContact NH1-O 3.16Å; R272-I276 PolarHBondContact NH2-O 3.26Å; R272-G304 WeakPolarHBondContact CD-O 3.46Å; R272-G304 PolarHBondContact NH1-O 3.16Å; R272-Y305 HydrophobicContact CB-CD1 4.35Å; R272-Y305 HydrophobicContact CB-CE1 3.69Å; R272-Y305 HydrophobicContact CB-CE2 4.02Å; R272-E307 IonicContact NH1-OE2 3.29Å
273P96.9Very high97.5Very high50 Ų5034.7 Ų34.733%0.32518%0.182SC..THydrogen-bonded Turntrans-52.5-41.2-171.1-34.942.5000113.8W264 L317W264-P273 PolarHBondContact NE1-O 3.02Å; P273-L317 WeakPolarHBondContact O-CD1 3.11Å
274F98.3Very high97.5Very high5 Ų535.4 Ų35.42%0.02218%0.183CC..THydrogen-bonded Turntrans-128.394.8171.4-59.4-92.9000109.2W264 R272 I276 S308 L311 R312 V315 L317 L320W264-F274 HydrophobicContact CH2-CB 4.45Å; W264-F274 HydrophobicContact CH2-CD1 4.14Å; W264-F274 HydrophobicContact CZ2-CB 4.03Å; W264-F274 AromaticContact CZ2-CD1 3.8Å; W264-F274 HydrophobicContact CZ2-CD1 3.8Å; W264-F274 HydrophobicContact CZ2-CG 4.27Å; R272-F274 PolarHBondContact NH1-O 2.97Å; R272-F274 PolarHBondContact O-N 3.26Å; R272-F274 VanDerWaalsContact O-N 3.08Å; F274-I276 HydrophobicContact CB-CG2 4.34Å; F274-I276 PolarHBondContact O-N 3.45Å; F274-S308 WeakPolarHBondContact CA-OG 3.38Å; F274-S308 PolarHBondContact N-OG 3.48Å; F274-S308 PolarHBondContact O-OG 2.94Å; F274-L311 HydrophobicContact CB-CB 4.37Å; F274-L311 HydrophobicContact CB-CD1 3.76Å; F274-L311 HydrophobicContact CD1-CB 3.93Å; F274-L311 HydrophobicContact CD1-CD1 3.83Å; F274-L311 HydrophobicContact CD2-CB 3.62Å; F274-L311 HydrophobicContact CE1-CB 4.11Å; F274-L311 HydrophobicContact CE2-CB 3.83Å; F274-L311 HydrophobicContact CG-CB 3.69Å; F274-L311 HydrophobicContact CG-CD1 3.77Å; F274-L311 HydrophobicContact CG-CG 4.4Å; F274-L311 HydrophobicContact CZ-CB 4.07Å; F274-R312 HydrophobicContact CE2-CB 4.12Å; F274-V315 HydrophobicContact CE1-CG2 4.15Å; F274-V315 HydrophobicContact CZ-CG2 4.2Å; F274-V315 WeakPolarHBondContact CZ-O 3.39Å; F274-L317 HydrophobicContact CE1-CD1 4.38Å; F274-L317 HydrophobicContact CZ-CD1 4.43Å; F274-L320 HydrophobicContact CD1-CD1 4.21Å; F274-L320 HydrophobicContact CE1-CD1 4.05Å; F274-L320 HydrophobicContact CE1-CD2 4.15Å; F274-L320 HydrophobicContact CE1-CG 4.4Å
275A98.2Very high97.4Very high3 Ų335.2 Ų35.23%0.02518%0.183CC..  trans-85.166.3178.700000111.9W264 A266 R272W264-A275 HydrophobicContact CB-CB 3.56Å; W264-A275 VanDerWaalsContact CD1-CB 3.44Å; W264-A275 HydrophobicContact CD2-CB 3.97Å; W264-A275 HydrophobicContact CG-CB 3.35Å; A266-A275 HydrophobicContact CB-CB 4.45Å; R272-A275 VanDerWaalsContact CG-CA 3.47Å; R272-A275 HydrophobicContact CG-CB 3.37Å; R272-A275 VanDerWaalsContact NE-CA 3.3Å
276I98.4Very high97.3Very high6 Ų637.4 Ų37.43%0.03119%0.193CC..  trans-136.7155.9-177.5-159.9171000110.3V239 W264 R272 F274 G280 F281 E307 L311V239-I276 HydrophobicContact CB-CD1 3.91Å; V239-I276 HydrophobicContact CG1-CD1 3.92Å; W264-I276 HydrophobicContact CE3-CB 4.21Å; W264-I276 HydrophobicContact CH2-CB 4.27Å; W264-I276 HydrophobicContact CH2-CG2 4.45Å; W264-I276 HydrophobicContact CZ3-CB 3.75Å; W264-I276 HydrophobicContact CZ3-CD1 3.99Å; W264-I276 HydrophobicContact CZ3-CG1 4.25Å; W264-I276 HydrophobicContact CZ3-CG2 4.39Å; R272-I276 PolarHBondContact NH1-O 2.97Å; R272-I276 VanDerWaalsContact NH1-O 3.16Å; R272-I276 PolarHBondContact NH2-O 3.26Å; F274-I276 HydrophobicContact CB-CG2 4.34Å; F274-I276 PolarHBondContact O-N 3.45Å; I276-G280 VanDerWaalsContact CD1-C 3.49Å; I276-G280 WeakPolarHBondContact CD1-O 3.44Å; I276-F281 HydrophobicContact CD1-CB 4.42Å; I276-F281 HydrophobicContact CG2-CD1 3.96Å; I276-F281 HydrophobicContact CG2-CE1 4.48Å; I276-E307 HydrophobicContact CG2-CB 4.5Å; I276-L311 HydrophobicContact CG2-CD1 4.15Å
277D98.3Very high97.2Very high30 Ų3038.1 Ų38.116%0.1619%0.194CC..  trans-81.9158.8171.3-177.7-95.1000111.4V242 V245 A279 G280 H334V242-D277 HydrophobicContact CB-CB 4.48Å; V242-D277 HydrophobicContact CG1-CB 4.43Å; V242-D277 HydrophobicContact CG2-CB 4.36Å; V245-D277 HydrophobicContact CB-CB 4.36Å; V245-D277 HydrophobicContact CG1-CB 3.91Å; V245-D277 HydrophobicContact CG2-CB 4.47Å; D277-A279 PolarHBondContact O-N 3.11Å; D277-A279 WeakPolarHBondContact OD1-CB 3.42Å; D277-A279 PolarHBondContact OD1-N 2.91Å; D277-G280 PolarHBondContact O-N 3.27Å; D277-H334 IonicContact OD1-CD2 3.15Å; D277-H334 IonicContact OD2-CD2 2.77Å
278M98.3Very high97.2Very high8 Ų832.9 Ų32.94%0.03916%0.162CC..G310 helixtrans-52-40.5177-168.667.562.900113F216 G280 F281 F296 Q306 E307F216-M278 HydrophobicContact CB-CG 3.66Å; F216-M278 HydrophobicContact CB-SD 3.78Å; F216-M278 HydrophobicContact CD2-SD 4.06Å; F216-M278 HydrophobicContact CG-CG 4.47Å; F216-M278 HydrophobicContact CG-SD 3.93Å; M278-G280 PolarHBondContact O-N 2.83Å; M278-F281 HydrophobicContact SD-CE1 4.37Å; M278-F281 HydrophobicContact SD-CZ 3.96Å; M278-F296 HydrophobicContact CE-CD1 4.22Å; M278-F296 HydrophobicContact CE-CE1 3.54Å; M278-F296 HydrophobicContact CE-CZ 3.71Å; M278-F296 HydrophobicContact SD-CE1 3.78Å; M278-F296 HydrophobicContact SD-CE2 4.34Å; M278-F296 HydrophobicContact SD-CZ 3.42Å; M278-F296 WeakPolarHBondContact SD-CZ 3.24Å; M278-Q306 HydrophobicContact CE-CG 4.41Å; M278-E307 HydrophobicContact CB-CG 4.49Å; M278-E307 HydrophobicContact CE-CG 4.22Å
279A98.5Very high97.3Very high2 Ų228.6 Ų28.62%0.01714%0.143CC..G310 helixtrans-75.5-5.2-179.300000113.4Y215 W240 V242 D277 V332Y215-A279 WeakPolarHBondContact CE2-O 3.49Å; Y215-A279 PolarHBondContact OH-O 2.88Å; W240-A279 PolarHBondContact NE1-O 3.25Å; V242-A279 HydrophobicContact CG1-CB 4.44Å; D277-A279 PolarHBondContact O-N 3.11Å; D277-A279 WeakPolarHBondContact OD1-CB 3.42Å; D277-A279 PolarHBondContact OD1-N 2.91Å; A279-V332 HydrophobicContact CB-CG2 4Å
280G98.8Very high97.3Very high0 Ų029.5 Ų29.50%016%0.157CC..G310 helixtrans-89.6-2.3-172.100000115.8V239 W240 I276 D277 M278V239-G280 CarbonylContact C-O 3.46Å; V239-G280 WeakPolarHBondContact CA-O 3.09Å; W240-G280 PolarHBondContact N-O 3.46Å; I276-G280 VanDerWaalsContact CD1-C 3.49Å; I276-G280 WeakPolarHBondContact CD1-O 3.44Å; D277-G280 PolarHBondContact O-N 3.27Å; M278-G280 PolarHBondContact O-N 2.83Å
281F98.9Very high97.3Very high0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-144.5154.1-176.466.5-91.6000113.4Y215 F216 V237 S238 V239 I276 M278 I283 E307 L311Y215-F281 WeakPolarHBondContact CD2-O 3.48Å; Y215-F281 WeakPolarHBondContact CE2-O 3.28Å; F216-F281 AromaticContact CD2-CE2 3.94Å; F216-F281 HydrophobicContact CD2-CE2 3.94Å; F216-F281 HydrophobicContact CD2-CZ 4.21Å; F216-F281 HydrophobicContact CE2-CE2 4.17Å; V237-F281 HydrophobicContact CG1-CB 4.35Å; S238-F281 WeakPolarHBondContact O-CA 3.49Å; S238-F281 VanDerWaalsContact O-CB 3.29Å; S238-F281 WeakPolarHBondContact O-CB 3.37Å; V239-F281 HydrophobicContact CG1-CB 4.03Å; I276-F281 HydrophobicContact CD1-CB 4.42Å; I276-F281 HydrophobicContact CG2-CD1 3.96Å; I276-F281 HydrophobicContact CG2-CE1 4.48Å; M278-F281 HydrophobicContact SD-CE1 4.37Å; M278-F281 HydrophobicContact SD-CZ 3.96Å; F281-I283 HydrophobicContact CD2-CD1 4.17Å; F281-I283 HydrophobicContact CD2-CG1 3.93Å; F281-I283 HydrophobicContact CE2-CD1 3.82Å; F281-I283 HydrophobicContact CE2-CG1 4.1Å; F281-E307 HydrophobicContact CE1-CB 4.03Å; F281-E307 HydrophobicContact CE1-CG 3.94Å; F281-L311 HydrophobicContact CD1-CD1 4.04Å; F281-L311 HydrophobicContact CD2-CD1 4.5Å; F281-L311 HydrophobicContact CD2-CD2 3.91Å; F281-L311 HydrophobicContact CE1-CD1 4.12Å; F281-L311 HydrophobicContact CE2-CD2 3.98Å; F281-L311 HydrophobicContact CE2-CG 4.45Å; F281-L311 HydrophobicContact CG-CD1 4.23Å; F281-L311 HydrophobicContact CG-CD2 4.38Å; F281-L311 HydrophobicContact CZ-CD1 4.41Å; F281-L311 HydrophobicContact CZ-CD2 4.47Å; F281-L311 HydrophobicContact CZ-CG 4.46Å
282A98.9Very high97.3Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-129.2156.1167.300000110.7I213 I214 Y215 M231 V237 S238 W240I213-A282 HydrophobicContact CG2-CB 3.74Å; I214-A282 WeakPolarHBondContact O-CA 3.47Å; I214-A282 WeakPolarHBondContact O-CB 3.15Å; Y215-A282 HydrophobicContact CD2-CB 4.14Å; M231-A282 HydrophobicContact CB-CB 4Å; M231-A282 HydrophobicContact SD-CB 4.33Å; V237-A282 VanDerWaalsContact CA-O 3.31Å; V237-A282 WeakPolarHBondContact CA-O 3.39Å; S238-A282 PolarHBondContact N-O 3.41Å; S238-A282 PolarHBondContact O-N 3.49Å; S238-A282 VanDerWaalsContact O-N 3.09Å; W240-A282 HydrophobicContact CH2-CB 3.53Å; W240-A282 HydrophobicContact CZ2-CB 4.41Å; W240-A282 HydrophobicContact CZ3-CB 4.25Å
283I98.8Very high97.3Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-126.1134.8-170.7-51.9172000109I213 I214 F216 V237 F281 L285 L287 I288 L310 L311 L314I213-I283 CarbonylContact C-O 3.52Å; I214-I283 PolarHBondContact N-O 3.02Å; I214-I283 PolarHBondContact O-N 2.94Å; F216-I283 HydrophobicContact CE2-CD1 4.13Å; V237-I283 HydrophobicContact CG2-CB 4.5Å; V237-I283 HydrophobicContact CG2-CG1 4.21Å; V237-I283 HydrophobicContact CG2-CG2 4.13Å; F281-I283 HydrophobicContact CD2-CD1 4.17Å; F281-I283 HydrophobicContact CD2-CG1 3.93Å; F281-I283 HydrophobicContact CE2-CD1 3.82Å; F281-I283 HydrophobicContact CE2-CG1 4.1Å; I283-L285 PolarHBondContact O-N 2.96Å; I283-L287 HydrophobicContact CG2-CB 4.36Å; I283-L287 HydrophobicContact CG2-CD2 4.28Å; I283-I288 HydrophobicContact CB-CG1 4.43Å; I283-I288 HydrophobicContact CD1-CD1 4.13Å; I283-I288 HydrophobicContact CG2-CD1 4.01Å; I283-I288 HydrophobicContact CG2-CG1 3.76Å; I283-L310 HydrophobicContact CD1-CD2 3.98Å; I283-L311 HydrophobicContact CD1-CD2 4.36Å; I283-L314 HydrophobicContact CD1-CD1 3.71Å; I283-L314 HydrophobicContact CG2-CD1 4.18Å
284N98.2Very high97.3Very high29 Ų2931.8 Ų31.816%0.15517%0.165CC..EExtended strand (participates in β ladder)trans-64.3129.2170.9-171.4-72.3000110.5T234 R235 K236 K286 L287 I288T234-N284 PolarHBondContact O-ND2 3.06Å; R235-N284 VanDerWaalsContact O-CB 3.24Å; R235-N284 WeakPolarHBondContact O-CB 3.4Å; K236-N284 PolarHBondContact O-N 3.41Å; N284-K286 PolarHBondContact O-N 2.83Å; N284-K286 WeakPolarHBondContact OD1-CB 3.34Å; N284-K286 PolarHBondContact OD1-N 2.7Å; N284-L287 WeakPolarHBondContact O-CB 3.42Å; N284-L287 PolarHBondContact O-N 3.04Å; N284-I288 PolarHBondContact O-N 2.93Å
285L97.4Very high97.3Very high5 Ų534.3 Ų34.33%0.02618%0.175CC..Hα-helixtrans-52.4-43.3-179173.661000111.6L200 F204 G212 I214 I283 L287 I288 L289L200-L285 HydrophobicContact CB-CD1 4.42Å; L200-L285 HydrophobicContact CD2-CD1 4.24Å; F204-L285 HydrophobicContact CB-CD2 4.46Å; F204-L285 HydrophobicContact CD1-CD2 4.21Å; F204-L285 HydrophobicContact CD2-CD2 4.29Å; F204-L285 HydrophobicContact CG-CD2 4.07Å; G212-L285 VanDerWaalsContact O-CB 3.22Å; G212-L285 WeakPolarHBondContact O-CB 3.32Å; G212-L285 PolarHBondContact O-N 3.23Å; I214-L285 HydrophobicContact CD1-CB 4.4Å; I214-L285 HydrophobicContact CD1-CD1 3.76Å; I214-L285 HydrophobicContact CG1-CB 4.45Å; I214-L285 HydrophobicContact CG1-CD1 4.22Å; I283-L285 PolarHBondContact O-N 2.96Å; L285-L287 PolarHBondContact O-N 2.81Å; L285-L287 VanDerWaalsContact O-N 3.16Å; L285-I288 PolarHBondContact O-N 3.39Å; L285-L289 HydrophobicContact CD1-CD1 4.27Å; L285-L289 HydrophobicContact CD1-CD2 4.22Å; L285-L289 HydrophobicContact CD1-CG 4.04Å; L285-L289 HydrophobicContact CG-CD1 4.04Å; L285-L289 HydrophobicContact CG-CG 4.23Å; L285-L289 WeakPolarHBondContact O-CG 3.44Å; L285-L289 PolarHBondContact O-N 3.23Å
286K95.6Very high97.3Very high154 Ų15434.3 Ų34.367%0.6717%0.174SC*.Hα-helixtrans-57.4-34179.7-170.8175.2-179.1172.90112.2N284 L289 A290N284-K286 PolarHBondContact O-N 2.83Å; N284-K286 WeakPolarHBondContact OD1-CB 3.34Å; N284-K286 PolarHBondContact OD1-N 2.7Å; K286-L289 PolarHBondContact O-N 2.74Å; K286-A290 VanDerWaalsContact O-CB 3.26Å; K286-A290 WeakPolarHBondContact O-CB 3.46Å; K286-A290 PolarHBondContact O-N 2.72Å
287L96.1Very high97Very high31 Ų3138.7 Ų38.716%0.16219%0.193CC..Hα-helixtrans-69.6-40.2178.1-173.959.9000112K236 V237 I283 N284 L285 A290 K291 L314 V315K236-L287 HydrophobicContact CB-CD2 4.39Å; V237-L287 HydrophobicContact CG2-CD2 3.97Å; I283-L287 HydrophobicContact CG2-CB 4.36Å; I283-L287 HydrophobicContact CG2-CD2 4.28Å; N284-L287 WeakPolarHBondContact O-CB 3.42Å; N284-L287 PolarHBondContact O-N 3.04Å; L285-L287 PolarHBondContact O-N 2.81Å; L285-L287 VanDerWaalsContact O-N 3.16Å; L287-A290 PolarHBondContact O-N 2.96Å; L287-K291 HydrophobicContact CD1-CG 4.47Å; L287-K291 PolarHBondContact O-N 2.8Å; L287-K291 VanDerWaalsContact O-N 3.14Å; L287-L314 HydrophobicContact CD2-CB 4.06Å; L287-L314 HydrophobicContact CG-CB 4.39Å; L287-L314 HydrophobicContact CG-CD2 4.42Å; L287-V315 HydrophobicContact CD2-CG1 3.69Å
288I96.2Very high96.5Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-65.1-39.1174.8-72.2-57.7000111.9L197 R201 I214 I283 N284 L285 K291 L314L197-I288 HydrophobicContact CD2-CD1 4.05Å; L197-I288 HydrophobicContact CD2-CG1 4.24Å; L197-I288 HydrophobicContact CD2-CG2 3.8Å; R201-I288 HydrophobicContact CG-CG2 4.48Å; R201-I288 PolarHBondContact NE-O 2.98Å; R201-I288 PolarHBondContact NH2-O 2.9Å; I214-I288 HydrophobicContact CD1-CB 3.74Å; I214-I288 HydrophobicContact CD1-CG1 3.49Å; I214-I288 VanDerWaalsContact CD1-CG1 3.49Å; I214-I288 HydrophobicContact CD1-CG2 3.98Å; I283-I288 HydrophobicContact CB-CG1 4.43Å; I283-I288 HydrophobicContact CD1-CD1 4.13Å; I283-I288 HydrophobicContact CG2-CD1 4.01Å; I283-I288 HydrophobicContact CG2-CG1 3.76Å; N284-I288 PolarHBondContact O-N 2.93Å; L285-I288 PolarHBondContact O-N 3.39Å; I288-K291 CarbonylContact O-C 3.59Å; I288-K291 PolarHBondContact O-N 2.96Å; I288-L314 HydrophobicContact CD1-CD1 3.63Å; I288-L314 HydrophobicContact CD1-CD2 3.98Å; I288-L314 HydrophobicContact CD1-CG 4.48Å
289L95.8Very high95.9Very high9 Ų946.2 Ų46.25%0.04722%0.223CC..Hα-helixtrans-67.4-42.6176.2-62.6-175.6000111.5R201 F204 N206 L285 K286 K291R201-L289 HydrophobicContact CB-CD2 4.41Å; R201-L289 HydrophobicContact CG-CD2 4.01Å; F204-L289 HydrophobicContact CB-CD1 3.81Å; F204-L289 HydrophobicContact CB-CD2 4.23Å; F204-L289 WeakPolarHBondContact O-CD2 3.49Å; N206-L289 WeakPolarHBondContact OD1-CB 3.29Å; N206-L289 PolarHBondContact OD1-O 3.28Å; N206-L289 VanDerWaalsContact OD1-O 3.09Å; L285-L289 HydrophobicContact CD1-CD1 4.27Å; L285-L289 HydrophobicContact CD1-CD2 4.22Å; L285-L289 HydrophobicContact CD1-CG 4.04Å; L285-L289 HydrophobicContact CG-CD1 4.04Å; L285-L289 HydrophobicContact CG-CG 4.23Å; L285-L289 WeakPolarHBondContact O-CG 3.44Å; L285-L289 PolarHBondContact O-N 3.23Å; K286-L289 PolarHBondContact O-N 2.74Å; L289-K291 PolarHBondContact O-N 3Å
290A94.8Very high95.1Very high63 Ų6349.3 Ų49.352%0.52126%0.255SS..Hα-helixtrans-67.8-19.2177.300000114.2K286 L287 P292K286-A290 VanDerWaalsContact O-CB 3.26Å; K286-A290 WeakPolarHBondContact O-CB 3.46Å; K286-A290 PolarHBondContact O-N 2.72Å; L287-A290 PolarHBondContact O-N 2.96Å; A290-P292 VanDerWaalsContact C-CD 3.45Å; A290-P292 WeakPolarHBondContact O-CD 3.32Å
291K95.9Very high94.3Very high101 Ų10150.1 Ų50.144%0.43926%0.259SS..  trans-119.469.8179.1-62.1-67-172.1175.90110.1R201 L287 I288 L289 Q293 A294 L314R201-K291 PolarHBondContact NH2-O 3.3Å; L287-K291 HydrophobicContact CD1-CG 4.47Å; L287-K291 PolarHBondContact O-N 2.8Å; L287-K291 VanDerWaalsContact O-N 3.14Å; I288-K291 CarbonylContact O-C 3.59Å; I288-K291 PolarHBondContact O-N 2.96Å; L289-K291 PolarHBondContact O-N 3Å; K291-Q293 PolarHBondContact O-N 3.4Å; K291-Q293 VanDerWaalsContact O-N 3.1Å; K291-A294 HydrophobicContact CB-CB 4.08Å; K291-A294 WeakPolarHBondContact O-CB 3.4Å; K291-A294 PolarHBondContact O-N 2.51Å; K291-L314 HydrophobicContact CB-CD2 3.72Å; K291-L314 HydrophobicContact CG-CD2 3.97Å
292P94.8Very high93.7Very high63 Ų6355.7 Ų55.741%0.40928%0.283SS..THydrogen-bonded Turntrans-65-19.5-170.425.9-35.5000114.4R201 A290 Y295R201-P292 VanDerWaalsContact CZ-O 3.24Å; R201-P292 PolarHBondContact NH1-O 3.17Å; A290-P292 VanDerWaalsContact C-CD 3.45Å; A290-P292 WeakPolarHBondContact O-CD 3.32Å; P292-Y295 WeakPolarHBondContact O-CE2 3.41Å
293Q95.8Very high93.1Very high157 Ų15758.1 Ų58.173%0.73431%0.309SS*.THydrogen-bonded Turntrans-85.9-11.2178.6-56.4-56.4-24.600113.6K291 Y295K291-Q293 PolarHBondContact O-N 3.4Å; K291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-Y295 WeakPolarHBondContact O-CD2 3.46Å; Q293-Y295 PolarHBondContact O-N 3.33Å
294A97.6Very high92.5Very high1 Ų159.8 Ų59.81%0.00833%0.326CS..  trans-74.7114.4-176.800000111.5R201 K291 L310 E313 L314R201-A294 PolarHBondContact NH1-O 2.93Å; R201-A294 PolarHBondContact NH2-O 3.41Å; K291-A294 HydrophobicContact CB-CB 4.08Å; K291-A294 WeakPolarHBondContact O-CB 3.4Å; K291-A294 PolarHBondContact O-N 2.51Å; A294-L310 HydrophobicContact CB-CD1 3.97Å; A294-E313 VanDerWaalsContact CA-OE2 3.3Å; A294-E313 WeakPolarHBondContact CA-OE2 3.44Å; A294-E313 HydrophobicContact CB-CB 3.99Å; A294-L314 HydrophobicContact CB-CD2 3.6Å; A294-L314 HydrophobicContact CB-CG 4.3Å
295Y98.2Very high92.4Very high58 Ų5860.7 Ų60.723%0.22733%0.328CS..  trans-138.5162.5176.6-74.2-84.4000109.9N194 L197 R198 R201 P292 Q293 K297N194-Y295 HydrophobicContact CB-CD1 3.91Å; N194-Y295 WeakPolarHBondContact O-CE1 3.44Å; L197-Y295 HydrophobicContact CB-CD1 4.1Å; L197-Y295 HydrophobicContact CB-CE1 3.91Å; L197-Y295 HydrophobicContact CD1-CD1 4.16Å; R198-Y295 HydrophobicContact CB-CE1 4.32Å; R201-Y295 PolarHBondContact NH1-OH 2.88Å; R201-Y295 VanDerWaalsContact NH1-OH 3.16Å; P292-Y295 WeakPolarHBondContact O-CE2 3.41Å; Q293-Y295 WeakPolarHBondContact O-CD2 3.46Å; Q293-Y295 PolarHBondContact O-N 3.33Å; Y295-K297 PolarHBondContact O-N 2.67Å
296F97.4Very high92.3Very high3 Ų360.7 Ų60.71%0.01333%0.328CS..  trans-65.8127.8166-66.7-72.6000109.3T190 R193 N194 L197 F216 M278 L298 Q306 L310T190-F296 HydrophobicContact CG2-CB 4.03Å; R193-F296 HydrophobicContact CB-CD2 3.79Å; R193-F296 HydrophobicContact CB-CE2 3.77Å; R193-F296 HydrophobicContact CG-CE2 4.37Å; N194-F296 PolarHBondContact ND2-O 3.04Å; N194-F296 WeakPolarHBondContact OD1-CB 3.32Å; N194-F296 PolarHBondContact OD1-N 2.94Å; L197-F296 HydrophobicContact CD1-CD2 4.32Å; L197-F296 HydrophobicContact CD1-CE2 4.38Å; F216-F296 HydrophobicContact CD1-CE2 4.14Å; F216-F296 HydrophobicContact CD1-CZ 4.46Å; F216-F296 HydrophobicContact CD2-CE2 4.39Å; F216-F296 HydrophobicContact CD2-CZ 4.01Å; F216-F296 AromaticContact CE1-CE2 3.61Å; F216-F296 HydrophobicContact CE1-CE2 3.61Å; F216-F296 HydrophobicContact CE1-CZ 4.2Å; F216-F296 AromaticContact CE2-CE2 3.91Å; F216-F296 HydrophobicContact CE2-CE2 3.91Å; F216-F296 AromaticContact CE2-CZ 3.72Å; F216-F296 HydrophobicContact CE2-CZ 3.72Å; F216-F296 HydrophobicContact CG-CE2 4.5Å; F216-F296 HydrophobicContact CG-CZ 4.37Å; F216-F296 AromaticContact CZ-CE2 3.48Å; F216-F296 HydrophobicContact CZ-CE2 3.48Å; F216-F296 VanDerWaalsContact CZ-CE2 3.48Å; F216-F296 AromaticContact CZ-CZ 3.82Å; F216-F296 HydrophobicContact CZ-CZ 3.82Å; M278-F296 HydrophobicContact CE-CD1 4.22Å; M278-F296 HydrophobicContact CE-CE1 3.54Å; M278-F296 HydrophobicContact CE-CZ 3.71Å; M278-F296 HydrophobicContact SD-CE1 3.78Å; M278-F296 HydrophobicContact SD-CE2 4.34Å; M278-F296 HydrophobicContact SD-CZ 3.42Å; M278-F296 WeakPolarHBondContact SD-CZ 3.24Å; F296-L298 PolarHBondContact O-N 2.62Å; F296-Q306 HydrophobicContact CB-CG 4.12Å; F296-Q306 HydrophobicContact CD1-CG 3.56Å; F296-Q306 HydrophobicContact CE1-CG 4.33Å; F296-Q306 HydrophobicContact CG-CG 4.15Å; F296-L310 HydrophobicContact CD1-CB 3.77Å; F296-L310 HydrophobicContact CD1-CD2 4.2Å; F296-L310 HydrophobicContact CD2-CD2 4.37Å; F296-L310 HydrophobicContact CE1-CB 3.74Å; F296-L310 HydrophobicContact CE1-CD2 3.6Å; F296-L310 HydrophobicContact CE1-CG 4.31Å; F296-L310 HydrophobicContact CE2-CD2 3.78Å; F296-L310 HydrophobicContact CG-CB 4.45Å; F296-L310 HydrophobicContact CZ-CB 4.39Å; F296-L310 HydrophobicContact CZ-CD2 3.36Å; F296-L310 HydrophobicContact CZ-CG 4.49Å
297K93.9Very high92.4Very high99 Ų9954.4 Ų54.443%0.4330%0.301SS..  trans-66.1131.1175.6-72.2-174-176.5-171.90109.9Y295 V301 S309Y295-K297 PolarHBondContact O-N 2.67Å; K297-V301 HydrophobicContact CB-CG2 3.32Å; K297-S309 PolarHBondContact N-OG 3.08Å; K297-S309 VanDerWaalsContact N-OG 3.1Å
298L87.8Confident92.4Very high51 Ų5153 Ų5327%0.26729%0.293SS..  trans-82.1-42.1-177.7-171.769.8000112F175 I186 T190 M191 F296F175-L298 HydrophobicContact CD2-CD2 4.47Å; F175-L298 HydrophobicContact CE2-CD2 3.84Å; F175-L298 HydrophobicContact CZ-CD2 4.49Å; I186-L298 HydrophobicContact CD1-CD1 4.4Å; I186-L298 HydrophobicContact CD1-CG 4.16Å; I186-L298 WeakPolarHBondContact CG1-O 3.43Å; I186-L298 HydrophobicContact CG2-CD1 3.59Å; I186-L298 HydrophobicContact CG2-CG 4.34Å; T190-L298 HydrophobicContact CG2-CD1 3.77Å; M191-L298 HydrophobicContact CG-CD1 3.81Å; F296-L298 PolarHBondContact O-N 2.62Å
299R85.4Confident92.4Very high145 Ų14553.2 Ų53.255%0.54730%0.295SS..SBendtrans-125.6161.7-175.7-66-171.4-178.4-176.92.6111.8F175 I186 V301F175-R299 VanDerWaalsContact CZ-NH2 3.31Å; I186-R299 HydrophobicContact CD1-CG 4.3Å; R299-V301 PolarHBondContact O-N 3.21Å
300G80.9Confident92.6Very high67 Ų6752.8 Ų52.869%0.69129%0.293SS*.SBendtrans67.921.4176.700000113.6
301V82.6Confident92.7Very high16 Ų1649.8 Ų49.810%0.09727%0.268CS..PPolyproline II helixtrans-102.1117.3179.5-173.60000108.6P184 K297 R299 Y305 Q306P184-V301 WeakPolarHBondContact CB-O 3.08Å; K297-V301 HydrophobicContact CB-CG2 3.32Å; R299-V301 PolarHBondContact O-N 3.21Å; V301-Y305 VanDerWaalsContact CG1-C 3.41Å; V301-Q306 HydrophobicContact CG1-CB 4.37Å
302K86.4Confident92.8Very high117 Ų11750.8 Ų50.851%0.50927%0.269SS..PPolyproline II helixtrans-55.1146.2171.5-176.6179.7173.3-165.70109.9D269 G304 Y305D269-K302 IonicContact OD2-NZ 3.68Å; D269-K302 PolarHBondContact OD2-NZ 3.06Å; K302-G304 PolarHBondContact O-N 3.02Å; K302-Y305 HydrophobicContact CB-CD2 3.81Å; K302-Y305 HydrophobicContact CB-CE2 4.33Å; K302-Y305 HydrophobicContact CB-CG 4.11Å; K302-Y305 HydrophobicContact CD-CD2 4Å; K302-Y305 HydrophobicContact CD-CE2 3.65Å; K302-Y305 HydrophobicContact CG-CD2 3.99Å; K302-Y305 HydrophobicContact CG-CE2 4.14Å; K302-Y305 VanDerWaalsContact O-CB 3.32Å; K302-Y305 WeakPolarHBondContact O-CB 3.49Å; K302-Y305 PolarHBondContact O-N 3.33Å
303G85.4Confident93Very high52 Ų5251.2 Ų51.254%0.53627%0.265SS..THydrogen-bonded Turntrans-51.2129.4175.200000111.4F268F268-G303 WeakPolarHBondContact CE1-O 3.3Å; F268-G303 WeakPolarHBondContact CZ-O 3.28Å
304G87.2Confident93.1Very high35 Ų3544.4 Ų44.436%0.36123%0.234SC..THydrogen-bonded Turntrans77.515-175.700000115.5R272 K302R272-G304 WeakPolarHBondContact CD-O 3.46Å; R272-G304 PolarHBondContact NH1-O 3.16Å; K302-G304 PolarHBondContact O-N 3.02Å
305Y95Very high93.1Very high47 Ų4745 Ų4518%0.18424%0.237CC..  trans-110.77.8177.9-81.1-113.8000114D269 R272 V301 K302 S308 S309D269-Y305 PolarHBondContact OD1-OH 3.04Å; D269-Y305 VanDerWaalsContact OD2-CE2 3.26Å; D269-Y305 WeakPolarHBondContact OD2-CE2 3.38Å; D269-Y305 VanDerWaalsContact OD2-CZ 3.27Å; D269-Y305 PolarHBondContact OD2-OH 3.1Å; R272-Y305 HydrophobicContact CB-CD1 4.35Å; R272-Y305 HydrophobicContact CB-CE1 3.69Å; R272-Y305 HydrophobicContact CB-CE2 4.02Å; V301-Y305 VanDerWaalsContact CG1-C 3.41Å; K302-Y305 HydrophobicContact CB-CD2 3.81Å; K302-Y305 HydrophobicContact CB-CE2 4.33Å; K302-Y305 HydrophobicContact CB-CG 4.11Å; K302-Y305 HydrophobicContact CD-CD2 4Å; K302-Y305 HydrophobicContact CD-CE2 3.65Å; K302-Y305 HydrophobicContact CG-CD2 3.99Å; K302-Y305 HydrophobicContact CG-CE2 4.14Å; K302-Y305 VanDerWaalsContact O-CB 3.32Å; K302-Y305 WeakPolarHBondContact O-CB 3.49Å; K302-Y305 PolarHBondContact O-N 3.33Å; Y305-S308 PolarHBondContact O-N 3.3Å; Y305-S309 PolarHBondContact O-N 2.94Å
306Q94.9Very high93.1Very high6 Ų646 Ų463%0.02825%0.25CC..Hα-helixtrans-69.1-44.8-175.7178.4161.779.400112P187 T190 M278 F296 V301 S308 S309 L310P187-Q306 VanDerWaalsContact CB-OE1 3.27Å; P187-Q306 HydrophobicContact CG-CB 4.29Å; T190-Q306 PolarHBondContact OG1-NE2 3.01Å; M278-Q306 HydrophobicContact CE-CG 4.41Å; F296-Q306 HydrophobicContact CB-CG 4.12Å; F296-Q306 HydrophobicContact CD1-CG 3.56Å; F296-Q306 HydrophobicContact CE1-CG 4.33Å; F296-Q306 HydrophobicContact CG-CG 4.15Å; V301-Q306 HydrophobicContact CG1-CB 4.37Å; Q306-S308 VanDerWaalsContact C-N 3.31Å; Q306-S308 PolarHBondContact O-N 2.76Å; Q306-S309 WeakPolarHBondContact O-CB 3.18Å; Q306-S309 PolarHBondContact O-N 3.49Å; Q306-S309 PolarHBondContact O-OG 3.5Å; Q306-L310 PolarHBondContact O-N 3.21Å
307E97.6Very high93Very high22 Ų2248.5 Ų48.510%0.10326%0.263CS..Hα-helixtrans-58.9-47.4175.7-5875-162.700109.9R272 I276 M278 F281 S309 L310 L311R272-E307 IonicContact NH1-OE2 3.29Å; I276-E307 HydrophobicContact CG2-CB 4.5Å; M278-E307 HydrophobicContact CB-CG 4.49Å; M278-E307 HydrophobicContact CE-CG 4.22Å; F281-E307 HydrophobicContact CE1-CB 4.03Å; F281-E307 HydrophobicContact CE1-CG 3.94Å; E307-S309 PolarHBondContact O-N 3.07Å; E307-L310 PolarHBondContact O-N 3.44Å; E307-L311 WeakPolarHBondContact O-CB 3.45Å; E307-L311 WeakPolarHBondContact O-CG 3.29Å; E307-L311 PolarHBondContact O-N 2.98Å
308S97.5Very high93.2Very high0 Ų048.9 Ų48.90%027%0.27CS..Hα-helixtrans-59.8-25.7174.5-78.80000113.8F274 Y305 Q306 R312F274-S308 WeakPolarHBondContact CA-OG 3.38Å; F274-S308 PolarHBondContact N-OG 3.48Å; F274-S308 PolarHBondContact O-OG 2.94Å; Y305-S308 PolarHBondContact O-N 3.3Å; Q306-S308 VanDerWaalsContact C-N 3.31Å; Q306-S308 PolarHBondContact O-N 2.76Å; S308-R312 WeakPolarHBondContact O-CB 3.43Å; S308-R312 WeakPolarHBondContact O-CG 3.19Å; S308-R312 PolarHBondContact O-N 3.34Å; S308-R312 PolarHBondContact O-NE 3.47Å
309S96.7Very high93.7Very high6 Ų648.7 Ų48.74%0.04227%0.269CS..Hα-helixtrans-73.4-34.9179.578.80000112.3K297 Y305 Q306 E307K297-S309 PolarHBondContact N-OG 3.08Å; K297-S309 VanDerWaalsContact N-OG 3.1Å; Y305-S309 PolarHBondContact O-N 2.94Å; Q306-S309 WeakPolarHBondContact O-CB 3.18Å; Q306-S309 PolarHBondContact O-N 3.49Å; Q306-S309 PolarHBondContact O-OG 3.5Å; E307-S309 PolarHBondContact O-N 3.07Å
310L98.3Very high94.3Very high0 Ų041.8 Ų41.80%024%0.243CC..Hα-helixtrans-82.5-53175.5176.666.4000111L197 F216 I283 A294 F296 Q306 E307 R312 E313 L314L197-L310 HydrophobicContact CD1-CD1 4.38Å; F216-L310 HydrophobicContact CE2-CD2 4.06Å; F216-L310 HydrophobicContact CZ-CD2 4.3Å; I283-L310 HydrophobicContact CD1-CD2 3.98Å; A294-L310 HydrophobicContact CB-CD1 3.97Å; F296-L310 HydrophobicContact CD1-CB 3.77Å; F296-L310 HydrophobicContact CD1-CD2 4.2Å; F296-L310 HydrophobicContact CD2-CD2 4.37Å; F296-L310 HydrophobicContact CE1-CB 3.74Å; F296-L310 HydrophobicContact CE1-CD2 3.6Å; F296-L310 HydrophobicContact CE1-CG 4.31Å; F296-L310 HydrophobicContact CE2-CD2 3.78Å; F296-L310 HydrophobicContact CG-CB 4.45Å; F296-L310 HydrophobicContact CZ-CB 4.39Å; F296-L310 HydrophobicContact CZ-CD2 3.36Å; F296-L310 HydrophobicContact CZ-CG 4.49Å; Q306-L310 PolarHBondContact O-N 3.21Å; E307-L310 PolarHBondContact O-N 3.44Å; L310-R312 VanDerWaalsContact C-N 3.28Å; L310-R312 PolarHBondContact O-N 3.19Å; L310-E313 PolarHBondContact O-N 3.46Å; L310-L314 HydrophobicContact CD1-CD1 4.08Å; L310-L314 HydrophobicContact CD2-CD1 4.46Å; L310-L314 HydrophobicContact CG-CD1 3.9Å
311L98.5Very high95.1Very high0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-61.6-33.8-169.6-70.7176000113.3V237 F274 I276 F281 I283 E307 E313 L314 V315V237-L311 HydrophobicContact CG1-CD2 3.98Å; V237-L311 HydrophobicContact CG2-CD2 4.45Å; F274-L311 HydrophobicContact CB-CB 4.37Å; F274-L311 HydrophobicContact CB-CD1 3.76Å; F274-L311 HydrophobicContact CD1-CB 3.93Å; F274-L311 HydrophobicContact CD1-CD1 3.83Å; F274-L311 HydrophobicContact CD2-CB 3.62Å; F274-L311 HydrophobicContact CE1-CB 4.11Å; F274-L311 HydrophobicContact CE2-CB 3.83Å; F274-L311 HydrophobicContact CG-CB 3.69Å; F274-L311 HydrophobicContact CG-CD1 3.77Å; F274-L311 HydrophobicContact CG-CG 4.4Å; F274-L311 HydrophobicContact CZ-CB 4.07Å; I276-L311 HydrophobicContact CG2-CD1 4.15Å; F281-L311 HydrophobicContact CD1-CD1 4.04Å; F281-L311 HydrophobicContact CD2-CD1 4.5Å; F281-L311 HydrophobicContact CD2-CD2 3.91Å; F281-L311 HydrophobicContact CE1-CD1 4.12Å; F281-L311 HydrophobicContact CE2-CD2 3.98Å; F281-L311 HydrophobicContact CE2-CG 4.45Å; F281-L311 HydrophobicContact CG-CD1 4.23Å; F281-L311 HydrophobicContact CG-CD2 4.38Å; F281-L311 HydrophobicContact CZ-CD1 4.41Å; F281-L311 HydrophobicContact CZ-CD2 4.47Å; F281-L311 HydrophobicContact CZ-CG 4.46Å; I283-L311 HydrophobicContact CD1-CD2 4.36Å; E307-L311 WeakPolarHBondContact O-CB 3.45Å; E307-L311 WeakPolarHBondContact O-CG 3.29Å; E307-L311 PolarHBondContact O-N 2.98Å; L311-E313 PolarHBondContact O-N 3Å; L311-L314 PolarHBondContact O-N 3.44Å; L311-V315 PolarHBondContact O-N 3.16Å
312R97.4Very high95.9Very high122 Ų12240 Ų4046%0.4622%0.218SC..THydrogen-bonded Turntrans-62.9-23.7176.971.6173.954.1-163.3-2.6114.3F274 S308 L310 L314F274-R312 HydrophobicContact CE2-CB 4.12Å; S308-R312 WeakPolarHBondContact O-CB 3.43Å; S308-R312 WeakPolarHBondContact O-CG 3.19Å; S308-R312 PolarHBondContact O-N 3.34Å; S308-R312 PolarHBondContact O-NE 3.47Å; L310-R312 VanDerWaalsContact C-N 3.28Å; L310-R312 PolarHBondContact O-N 3.19Å; R312-L314 VanDerWaalsContact C-N 3.31Å
313E97.6Very high96.5Very high72 Ų7235.5 Ų35.534%0.33620%0.198SC..THydrogen-bonded Turntrans-87.1-10.5179-58.4-171.3-171.300111.5A294 L310 L311A294-E313 VanDerWaalsContact CA-OE2 3.3Å; A294-E313 WeakPolarHBondContact CA-OE2 3.44Å; A294-E313 HydrophobicContact CB-CB 3.99Å; L310-E313 PolarHBondContact O-N 3.46Å; L311-E313 PolarHBondContact O-N 3Å
314L98.1Very high97.1Very high14 Ų1433 Ų337%0.07317%0.173CC..THydrogen-bonded Turntrans-108.1-45.9-173.7-59.3179.1000112.9I283 L287 I288 K291 A294 L310 L311 R312I283-L314 HydrophobicContact CD1-CD1 3.71Å; I283-L314 HydrophobicContact CG2-CD1 4.18Å; L287-L314 HydrophobicContact CD2-CB 4.06Å; L287-L314 HydrophobicContact CG-CB 4.39Å; L287-L314 HydrophobicContact CG-CD2 4.42Å; I288-L314 HydrophobicContact CD1-CD1 3.63Å; I288-L314 HydrophobicContact CD1-CD2 3.98Å; I288-L314 HydrophobicContact CD1-CG 4.48Å; K291-L314 HydrophobicContact CB-CD2 3.72Å; K291-L314 HydrophobicContact CG-CD2 3.97Å; A294-L314 HydrophobicContact CB-CD2 3.6Å; A294-L314 HydrophobicContact CB-CG 4.3Å; L310-L314 HydrophobicContact CD1-CD1 4.08Å; L310-L314 HydrophobicContact CD2-CD1 4.46Å; L310-L314 HydrophobicContact CG-CD1 3.9Å; L311-L314 PolarHBondContact O-N 3.44Å; R312-L314 VanDerWaalsContact C-N 3.31Å
315V98.4Very high97.6Very high13 Ų1334.2 Ų34.28%0.07918%0.179CC..  trans-146.9163.9-169.2-70.60000113.1K236 V237 F274 L287 L311 D319 L320K236-V315 HydrophobicContact CB-CG1 4.2Å; V237-V315 HydrophobicContact CB-CG1 4.15Å; V237-V315 HydrophobicContact CB-CG2 4.07Å; V237-V315 HydrophobicContact CG2-CB 4.32Å; V237-V315 HydrophobicContact CG2-CG1 3.55Å; V237-V315 HydrophobicContact CG2-CG2 3.76Å; F274-V315 HydrophobicContact CE1-CG2 4.15Å; F274-V315 HydrophobicContact CZ-CG2 4.2Å; F274-V315 WeakPolarHBondContact CZ-O 3.39Å; L287-V315 HydrophobicContact CD2-CG1 3.69Å; L311-V315 PolarHBondContact O-N 3.16Å; V315-D319 HydrophobicContact CB-CB 3.96Å; V315-D319 HydrophobicContact CG1-CB 4.08Å; V315-L320 HydrophobicContact CG2-CD2 3.92Å
316T97.9Very high97.8Very high80 Ų8036.7 Ų36.749%0.49120%0.195SC..  trans-99.4170.1164.169.90000111.1N318 D319T316-N318 PolarHBondContact O-N 2.67Å; T316-D319 PolarHBondContact N-OD2 2.91Å; T316-D319 VanDerWaalsContact N-OD2 3.1Å; T316-D319 WeakPolarHBondContact O-CB 3.48Å; T316-D319 PolarHBondContact O-N 3.1Å; T316-D319 PolarHBondContact OG1-OD2 3.02Å
317L96.6Very high98Very high54 Ų5436.7 Ų36.728%0.28320%0.196SC..G310 helixtrans-57.4-37.5175.9-90.574.3000112.8P273 F274 D319 L320P273-L317 WeakPolarHBondContact O-CD1 3.11Å; F274-L317 HydrophobicContact CE1-CD1 4.38Å; F274-L317 HydrophobicContact CZ-CD1 4.43Å; L317-D319 PolarHBondContact O-N 3.38Å; L317-L320 WeakPolarHBondContact O-CB 3.45Å; L317-L320 WeakPolarHBondContact O-CG 3.47Å; L317-L320 PolarHBondContact O-N 2.95Å
318N96.6Very high98Very high108 Ų10841 Ų4158%0.57822%0.224SC*.G310 helixtrans-69.5-20.1-177.6-76.2-18.7000113.5K260 T316 L320K260-N318 PolarHBondContact NZ-O 2.61Å; T316-N318 PolarHBondContact O-N 2.67Å; N318-L320 VanDerWaalsContact C-N 3.35Å
319D97.9Very high98Very high46 Ų4644.9 Ų44.925%0.24624%0.241CC..G310 helixtrans-83.3-11.8177.2-66.9-55.8000113.1K236 V315 T316 L317K236-D319 HydrophobicContact CD-CB 3.89Å; K236-D319 IonicContact NZ-OD1 2.7Å; K236-D319 PolarHBondContact NZ-OD1 2.87Å; V315-D319 HydrophobicContact CB-CB 3.96Å; V315-D319 HydrophobicContact CG1-CB 4.08Å; T316-D319 PolarHBondContact N-OD2 2.91Å; T316-D319 VanDerWaalsContact N-OD2 3.1Å; T316-D319 WeakPolarHBondContact O-CB 3.48Å; T316-D319 PolarHBondContact O-N 3.1Å; T316-D319 PolarHBondContact OG1-OD2 3.02Å; L317-D319 PolarHBondContact O-N 3.38Å
320L98.8Very high98.1Very high1 Ų146.9 Ų46.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-69.9141.8-178.5-62.1179.1000111.6V237 V239 V261 W264 F274 V315 L317 N318 P322V237-L320 HydrophobicContact CB-CD2 3.91Å; V237-L320 HydrophobicContact CG1-CD2 3.69Å; V237-L320 WeakPolarHBondContact O-CA 3.27Å; V239-L320 HydrophobicContact CG1-CD1 4.23Å; V239-L320 HydrophobicContact CG1-CD2 4.01Å; V239-L320 HydrophobicContact CG2-CB 4.27Å; V261-L320 HydrophobicContact CB-CB 4.17Å; V261-L320 HydrophobicContact CB-CD1 4.08Å; V261-L320 HydrophobicContact CG1-CD1 3.96Å; V261-L320 HydrophobicContact CG2-CB 3.86Å; V261-L320 HydrophobicContact CG2-CD1 4.27Å; W264-L320 HydrophobicContact CH2-CD1 3.79Å; W264-L320 HydrophobicContact CZ2-CD1 4.09Å; F274-L320 HydrophobicContact CD1-CD1 4.21Å; F274-L320 HydrophobicContact CE1-CD1 4.05Å; F274-L320 HydrophobicContact CE1-CD2 4.15Å; F274-L320 HydrophobicContact CE1-CG 4.4Å; V315-L320 HydrophobicContact CG2-CD2 3.92Å; L317-L320 WeakPolarHBondContact O-CB 3.45Å; L317-L320 WeakPolarHBondContact O-CG 3.47Å; L317-L320 PolarHBondContact O-N 2.95Å; N318-L320 VanDerWaalsContact C-N 3.35Å; L320-P322 WeakPolarHBondContact O-CD 3.19Å
321E98.8Very high98.2Very high21 Ų2147.2 Ų47.210%0.09825%0.252CS..EExtended strand (participates in β ladder)trans-109.198.5-179.1-59180-105.700109.3R235 K236 V237 S238 V239 K323R235-E321 WeakPolarHBondContact CA-OE1 3.29Å; R235-E321 WeakPolarHBondContact CB-OE1 3.48Å; R235-E321 IonicContact CZ-OE2 3.28Å; R235-E321 VanDerWaalsContact CZ-OE2 3.28Å; R235-E321 PolarHBondContact N-OE1 2.65Å; R235-E321 IonicContact NE-OE2 2.93Å; R235-E321 PolarHBondContact NE-OE2 2.97Å; R235-E321 IonicContact NH2-OE2 2.83Å; R235-E321 PolarHBondContact NH2-OE2 3.43Å; K236-E321 PolarHBondContact N-OE1 3.46Å; V237-E321 PolarHBondContact O-N 2.92Å; S238-E321 CarbonylContact C-O 3.5Å; S238-E321 WeakPolarHBondContact CA-O 3.38Å; V239-E321 PolarHBondContact N-O 2.78Å; E321-K323 PolarHBondContact O-N 3.34Å
322P98.7Very high98.2Very high24 Ų2447.2 Ų47.216%0.15625%0.252CS..EExtended strand (participates in β ladder)trans-66.9133.8179.827.8-33.2000111V255 G259 V261 L320V255-P322 HydrophobicContact CG1-CB 4.24Å; V255-P322 HydrophobicContact CG1-CG 3.94Å; V255-P322 HydrophobicContact CG2-CB 3.66Å; V255-P322 HydrophobicContact CG2-CG 4.25Å; G259-P322 WeakPolarHBondContact O-CD 3.43Å; G259-P322 VanDerWaalsContact O-CG 3.22Å; G259-P322 WeakPolarHBondContact O-CG 3.4Å; V261-P322 HydrophobicContact CG2-CB 4.38Å; L320-P322 WeakPolarHBondContact O-CD 3.19Å
323K98.8Very high98.3Very high23 Ų2345.3 Ų45.310%0.125%0.245CC..  trans-115.8-170.3178.5-60.7-63-176.9162.90110.4E230 S233 V239 W240 E321 A325 N326 C327E230-K323 HydrophobicContact CB-CB 4.31Å; E230-K323 WeakPolarHBondContact O-CD 2.96Å; E230-K323 WeakPolarHBondContact O-CE 3.37Å; E230-K323 PolarHBondContact O-NZ 2.84Å; E230-K323 WeakPolarHBondContact OE2-CB 3.4Å; S233-K323 PolarHBondContact OG-NZ 3.45Å; V239-K323 PolarHBondContact O-N 3.41Å; W240-K323 HydrophobicContact CB-CB 4.37Å; W240-K323 HydrophobicContact CE3-CB 3.85Å; W240-K323 HydrophobicContact CE3-CG 3.84Å; W240-K323 HydrophobicContact CZ3-CG 4.17Å; E321-K323 PolarHBondContact O-N 3.34Å; K323-A325 PolarHBondContact O-N 3.44Å; K323-N326 PolarHBondContact O-N 3.44Å; K323-C327 WeakPolarHBondContact O-CA 3.43Å; K323-C327 PolarHBondContact O-N 2.91Å
324A98.4Very high98.3Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans54.953175.200000111.6E230 W240 C327 T328 K329 L331E230-A324 PolarHBondContact OE2-N 2.91Å; W240-A324 HydrophobicContact CB-CB 4.02Å; A324-C327 PolarHBondContact O-N 2.81Å; A324-T328 PolarHBondContact O-N 2.81Å; A324-K329 HydrophobicContact CB-CB 4.16Å; A324-K329 WeakPolarHBondContact CB-O 3.49Å; A324-K329 PolarHBondContact O-N 3.34Å; A324-L331 HydrophobicContact CB-CD1 3.78Å; A324-L331 HydrophobicContact CB-CG 4.11Å
325A98Very high98.3Very high59 Ų5944 Ų4449%0.48824%0.241SC..Hα-helixtrans53.659.5-175.600000113K323 C327 T328 K329K323-A325 PolarHBondContact O-N 3.44Å; A325-C327 VanDerWaalsContact C-N 3.29Å; A325-C327 PolarHBondContact O-N 3.48Å; A325-T328 WeakPolarHBondContact O-CG2 3.47Å; A325-T328 PolarHBondContact O-N 3.29Å; A325-T328 PolarHBondContact O-OG1 2.77Å; A325-K329 HydrophobicContact CB-CD 4.05Å; A325-K329 HydrophobicContact CB-CG 4.21Å
326N98Very high98.1Very high100 Ų10052.5 Ų52.554%0.53527%0.271SS..Hα-helixtrans55.442.8-175.5-67.8-26.8000113.3V255 K323 T328V255-N326 HydrophobicContact CG1-CB 4.43Å; K323-N326 PolarHBondContact O-N 3.44Å; N326-T328 VanDerWaalsContact C-N 3.35Å; N326-T328 PolarHBondContact O-N 3.44Å
327C98.5Very high98Very high5 Ų551.8 Ų51.83%0.03427%0.267CS..Hα-helixtrans6334.6177.1-57.10000114.5P241 S252 P253 V255 K323 A324 A325P241-C327 VanDerWaalsContact CG-C 3.48Å; P241-C327 HydrophobicContact CG-CB 3.85Å; P241-C327 WeakPolarHBondContact CG-O 3.13Å; S252-C327 PolarHBondContact OG-O 2.79Å; P253-C327 HydrophobicContact CB-CB 4.4Å; P253-C327 HydrophobicContact CG-CB 4.36Å; V255-C327 HydrophobicContact CG2-CB 4.03Å; K323-C327 WeakPolarHBondContact O-CA 3.43Å; K323-C327 PolarHBondContact O-N 2.91Å; A324-C327 PolarHBondContact O-N 2.81Å; A325-C327 VanDerWaalsContact C-N 3.29Å; A325-C327 PolarHBondContact O-N 3.48Å
328T98.3Very high98.1Very high113 Ų11357.6 Ų57.669%0.69329%0.293SS*.THydrogen-bonded Turntrans-105.9-10.6176.2690000114A324 A325 N326A324-T328 PolarHBondContact O-N 2.81Å; A325-T328 WeakPolarHBondContact O-CG2 3.47Å; A325-T328 PolarHBondContact O-N 3.29Å; A325-T328 PolarHBondContact O-OG1 2.77Å; N326-T328 VanDerWaalsContact C-N 3.35Å; N326-T328 PolarHBondContact O-N 3.44Å
329K98.6Very high98Very high82 Ų8261.4 Ų61.436%0.35730%0.304SS..SBendtrans-107.7146.9175.7-66.8178.763.7-175.80111.9E226 P241 A324 A325 L331E226-K329 IonicContact OE1-NZ 2.61Å; E226-K329 PolarHBondContact OE1-NZ 3.28Å; E226-K329 IonicContact OE2-NZ 2.78Å; E226-K329 PolarHBondContact OE2-NZ 3.31Å; P241-K329 WeakPolarHBondContact CD-O 3.43Å; P241-K329 WeakPolarHBondContact CG-O 3.46Å; A324-K329 HydrophobicContact CB-CB 4.16Å; A324-K329 WeakPolarHBondContact CB-O 3.49Å; A324-K329 PolarHBondContact O-N 3.34Å; A325-K329 HydrophobicContact CB-CD 4.05Å; A325-K329 HydrophobicContact CB-CG 4.21Å; K329-L331 HydrophobicContact CB-CD2 4.47Å
330I98.8Very high98Very high48 Ų4861.6 Ų61.625%0.24631%0.308CS..  trans-96.9120.8169.8-53.8-50.4000108.3P241 A243 Y250 V332 W333P241-I330 HydrophobicContact CB-CD1 3.45Å; P241-I330 VanDerWaalsContact CB-CD1 3.45Å; P241-I330 HydrophobicContact CG-CD1 4.42Å; A243-I330 HydrophobicContact CB-CG2 3.61Å; Y250-I330 HydrophobicContact CD1-CD1 4.28Å; Y250-I330 HydrophobicContact CD2-CD1 4.09Å; Y250-I330 HydrophobicContact CG-CD1 3.78Å; I330-V332 WeakPolarHBondContact CG2-O 3.46Å; I330-W333 HydrophobicContact CG2-CD2 4.27Å; I330-W333 HydrophobicContact CG2-CG 4.49Å; I330-W333 HydrophobicContact CG2-CZ2 4Å
331L98.9Very high98Very high7 Ų767.4 Ų67.44%0.03734%0.343CS..  trans-120.8-4.5-179.5-61.5-176.4000113.2S224 E226 L227 E230 A324 K329 W333S224-L331 WeakPolarHBondContact CB-O 3.49Å; S224-L331 PolarHBondContact N-O 2.83Å; S224-L331 WeakPolarHBondContact OG-CA 3.21Å; S224-L331 WeakPolarHBondContact OG-CB 3.33Å; S224-L331 PolarHBondContact OG-O 3.31Å; E226-L331 HydrophobicContact CB-CD1 4.46Å; E226-L331 HydrophobicContact CB-CD2 4.21Å; E226-L331 HydrophobicContact CG-CD1 4.15Å; E226-L331 HydrophobicContact CG-CD2 4.28Å; L227-L331 HydrophobicContact CB-CB 4.12Å; L227-L331 HydrophobicContact CD1-CB 3.88Å; E230-L331 HydrophobicContact CG-CD1 3.85Å; A324-L331 HydrophobicContact CB-CD1 3.78Å; A324-L331 HydrophobicContact CB-CG 4.11Å; K329-L331 HydrophobicContact CB-CD2 4.47Å; L331-W333 WeakPolarHBondContact O-CZ3 3.41Å
332V98.9Very high97.9Very high0 Ų070.6 Ų70.60%036%0.361CS..EExtended strand (participates in β ladder)trans-145.2141.7179.761.30000110.4S222 Y223 L227 V242 A243 A279 I330S222-V332 WeakPolarHBondContact O-CA 3.33Å; Y223-V332 HydrophobicContact CD1-CG2 3.66Å; Y223-V332 HydrophobicContact CE1-CG2 3.8Å; L227-V332 HydrophobicContact CD2-CB 3.95Å; L227-V332 HydrophobicContact CD2-CG2 4.35Å; V242-V332 HydrophobicContact CB-CG1 4.31Å; V242-V332 HydrophobicContact CG1-CG1 4.22Å; V242-V332 HydrophobicContact CG2-CG1 3.9Å; A243-V332 PolarHBondContact N-O 3.4Å; A243-V332 VanDerWaalsContact N-O 3.11Å; A279-V332 HydrophobicContact CB-CG2 4Å; I330-V332 WeakPolarHBondContact CG2-O 3.46Å
333W98.9Very high97.8Very high82 Ų8274.8 Ų74.831%0.31139%0.385SS..EExtended strand (participates in β ladder)trans-127.8127.1-178-58.4-102.6000110S222 A243 F244 I330 L331 T335S222-W333 PolarHBondContact N-O 3.12Å; S222-W333 PolarHBondContact O-N 3.27Å; A243-W333 HydrophobicContact CB-CB 4.31Å; A243-W333 HydrophobicContact CB-CG 3.97Å; F244-W333 HydrophobicContact CD2-CB 3.99Å; F244-W333 HydrophobicContact CD2-CG 4.49Å; F244-W333 HydrophobicContact CE2-CB 4.01Å; F244-W333 AromaticContact CE2-CD1 3.5Å; F244-W333 HydrophobicContact CE2-CG 4.12Å; F244-W333 AromaticContact CZ-CD1 3.94Å; I330-W333 HydrophobicContact CG2-CD2 4.27Å; I330-W333 HydrophobicContact CG2-CG 4.49Å; I330-W333 HydrophobicContact CG2-CZ2 4Å; L331-W333 WeakPolarHBondContact O-CZ3 3.41Å; W333-T335 HydrophobicContact CB-CG2 4.2Å; W333-T335 PolarHBondContact O-N 3.41Å
334H98.5Very high97.8Very high25 Ų2580.5 Ų80.512%0.11642%0.417CS..  trans-78.265.4173.1-168.2-44.1000110V242 A243 V245 D277V242-H334 HydrophobicContact CG1-CB 4.31Å; A243-H334 WeakPolarHBondContact O-CB 3.44Å; A243-H334 PolarHBondContact O-N 3.5Å; V245-H334 HydrophobicContact CG1-CB 3.41Å; V245-H334 VanDerWaalsContact CG1-CB 3.41Å; D277-H334 IonicContact OD1-CD2 3.15Å; D277-H334 IonicContact OD2-CD2 2.77Å
335T98.2Very high97.7Very high34 Ų3483.1 Ų83.121%0.20943%0.429CS..  trans-63.7156.5173.543.60000111.2D220 N221 S222 W333D220-T335 CarbonylContact O-C 3.13Å; D220-T335 PolarHBondContact O-OG1 3.34Å; N221-T335 WeakPolarHBondContact CA-OG1 3.32Å; S222-T335 PolarHBondContact N-OG1 2.97Å; S222-T335 WeakPolarHBondContact OG-CG2 3.46Å; S222-T335 PolarHBondContact OG-OG1 3.06Å; W333-T335 HydrophobicContact CB-CG2 4.2Å; W333-T335 PolarHBondContact O-N 3.41Å
336R94.9Very high97.6Very high190 Ų19083 Ų8372%0.71743%0.434SS*.  trans-138.1133.5173.3-66.5-174.9-179.1173.82.5108.5
337T96.1Very high97.5Very high66 Ų6688.8 Ų88.841%0.40545%0.454SS..PPolyproline II helixtrans-88.4134.1176.8-58.10000109.8V120 E124V120-T337 HydrophobicContact CB-CG2 4.28Å; V120-T337 HydrophobicContact CG1-CG2 3.9Å; V120-T337 HydrophobicContact CG2-CG2 4.39Å; E124-T337 WeakPolarHBondContact OE1-CB 3.29Å; E124-T337 PolarHBondContact OE1-OG1 3.1Å
338E96.6Very high97.4Very high175 Ų17598.8 Ų98.882%0.81850%0.497SS*.PPolyproline II helixtrans-63.7153.8175.4-65.4-167.9165.900111.3P340E338-P340 WeakPolarHBondContact O-CD 3.4Å
339K96.1Very high97.2Very high189 Ų18995.7 Ų95.782%0.82249%0.488SS*.PPolyproline II helixtrans-71.5125.5174.8-176.1-178.4175.7-173.90108.8
340P97.3Very high97.2Very high50 Ų50100 Ų10033%0.32551%0.507SS..PPolyproline II helixtrans-59.1141.3176.8-26.636.6000112.6P119 V120 E338 L342P119-P340 HydrophobicContact CB-CG 4.07Å; V120-P340 HydrophobicContact CG1-CG 3.51Å; E338-P340 WeakPolarHBondContact O-CD 3.4Å; P340-L342 HydrophobicContact CB-CD2 4.22Å; P340-L342 HydrophobicContact CB-CG 4.2Å; P340-L342 PolarHBondContact O-N 3.23Å
341V98Very high97.1Very high123 Ų123101.4 Ų101.475%0.74552%0.518SS*.  trans-86.198.2176.5-177.90000108.9V343V341-V343 HydrophobicContact CG1-CG1 3.91Å; V341-V343 HydrophobicContact CG1-CG2 4.04Å
342L97.1Very high97.1Very high88 Ų88105.3 Ų105.346%0.46154%0.539SS..  trans-106.735-177.4-56.5178.6000112.3P119 P340 N344 E345P119-L342 HydrophobicContact CB-CD1 4.45Å; P119-L342 HydrophobicContact CG-CD1 4.27Å; P340-L342 HydrophobicContact CB-CD2 4.22Å; P340-L342 HydrophobicContact CB-CG 4.2Å; P340-L342 PolarHBondContact O-N 3.23Å; L342-N344 PolarHBondContact O-N 2.97Å; L342-E345 HydrophobicContact CB-CG 4.13Å; L342-E345 WeakPolarHBondContact O-CB 3.36Å; L342-E345 PolarHBondContact O-N 3.5Å
343V97.5Very high96.9Very high111 Ų111111 Ų11167%0.67358%0.575SS**G310 helixtrans-64.2-30.2-175.1-63.20000112.8V341 E345 G346V341-V343 HydrophobicContact CG1-CG1 3.91Å; V341-V343 HydrophobicContact CG1-CG2 4.04Å; V343-E345 VanDerWaalsContact C-N 3.29Å; V343-E345 PolarHBondContact O-N 2.77Å; V343-G346 PolarHBondContact O-N 3.21Å
344N98Very high96.8Very high144 Ų144113.7 Ų113.777%0.7760%0.596SS**G310 helixtrans-77.9-9-178.6-67.7-18.6000113.9L342 G346 F350L342-N344 PolarHBondContact O-N 2.97Å; N344-G346 PolarHBondContact O-N 3.3Å; N344-F350 WeakPolarHBondContact O-CB 3.26Å
345E97.3Very high96.7Very high55 Ų55118.8 Ų118.826%0.25762%0.622SS.*G310 helixtrans-64.3-24.9168.2-69.8-63.816900112L342 V343 G349 F350 T351L342-E345 HydrophobicContact CB-CG 4.13Å; L342-E345 WeakPolarHBondContact O-CB 3.36Å; L342-E345 PolarHBondContact O-N 3.5Å; V343-E345 VanDerWaalsContact C-N 3.29Å; V343-E345 PolarHBondContact O-N 2.77Å; E345-G349 CarbonylContact O-C 3.59Å; E345-G349 WeakPolarHBondContact O-CA 3.05Å; E345-G349 PolarHBondContact O-N 2.53Å; E345-G349 VanDerWaalsContact O-N 3.12Å; E345-F350 PolarHBondContact O-N 3.36Å; E345-F350 PolarHBondContact OE2-N 3.25Å; E345-T351 VanDerWaalsContact CD-OG1 3.24Å; E345-T351 WeakPolarHBondContact OE1-CB 3.48Å; E345-T351 WeakPolarHBondContact OE1-CG2 3.14Å; E345-T351 PolarHBondContact OE1-OG1 3.12Å; E345-T351 PolarHBondContact OE2-N 3.33Å; E345-T351 PolarHBondContact OE2-OG1 3.39Å
346G96.1Very high96.7Very high56 Ų56121.5 Ų121.558%0.57763%0.632SS**THydrogen-bonded Turntrans58.3-166.2-17600000113V343 N344V343-G346 PolarHBondContact O-N 3.21Å; N344-G346 PolarHBondContact O-N 3.3Å
347K95.6Very high96.7Very high221 Ų221118.5 Ų118.596%0.96163%0.629SS**THydrogen-bonded Turntrans-81.8-22.1179.6-66.2-176.7-1791780113.7
348K95Very high96.7Very high215 Ų215121.2 Ų121.294%0.93564%0.64SS**THydrogen-bonded Turntrans-95.8-8.3-175.5-64.7-176.3179.5-179.40113
349G95.3Very high96.7Very high49 Ų49118.3 Ų118.351%0.50563%0.631SS.*  trans79.8144.2-165.300000110.7E345E345-G349 CarbonylContact O-C 3.59Å; E345-G349 WeakPolarHBondContact O-CA 3.05Å; E345-G349 PolarHBondContact O-N 2.53Å; E345-G349 VanDerWaalsContact O-N 3.12Å
350F97.7Very high96.7Very high171 Ų171114.4 Ų114.475%0.7562%0.62SS**SBendtrans-115.6-47174.3177.7-98.8000110.9N344 E345N344-F350 WeakPolarHBondContact O-CB 3.26Å; E345-F350 PolarHBondContact O-N 3.36Å; E345-F350 PolarHBondContact OE2-N 3.25Å
351T98.1Very high96.7Very high78 Ų78118.2 Ų118.248%0.47964%0.637SS.*SBendtrans-78.3160.8178.857.40000111.6E345 P353E345-T351 VanDerWaalsContact CD-OG1 3.24Å; E345-T351 WeakPolarHBondContact OE1-CB 3.48Å; E345-T351 WeakPolarHBondContact OE1-CG2 3.14Å; E345-T351 PolarHBondContact OE1-OG1 3.12Å; E345-T351 PolarHBondContact OE2-N 3.33Å; E345-T351 PolarHBondContact OE2-OG1 3.39Å; T351-P353 VanDerWaalsContact O-CD 3.29Å; T351-P353 WeakPolarHBondContact O-CD 3.45Å
352D97.4Very high96.6Very high89 Ų89117.9 Ų117.948%0.47663%0.631SS.*  trans-64.9115.5171.8-179.7-0.8000109.5N354 M355D352-N354 PolarHBondContact O-N 3.15Å; D352-N354 VanDerWaalsContact O-N 3.09Å; D352-N354 WeakPolarHBondContact OD1-CB 3.4Å; D352-N354 PolarHBondContact OD1-N 2.89Å; D352-N354 PolarHBondContact OD1-ND2 3.46Å; D352-M355 HydrophobicContact CB-CB 4.46Å; D352-M355 WeakPolarHBondContact O-CB 3.43Å; D352-M355 PolarHBondContact O-N 3.16Å
353P95.3Very high96.6Very high119 Ų119119.9 Ų119.977%0.77364%0.642SS**THydrogen-bonded Turntrans-66.7-10.9-17929.5-36.9000113.5T351T351-P353 VanDerWaalsContact O-CD 3.29Å; T351-P353 WeakPolarHBondContact O-CD 3.45Å
354N96.3Very high96.5Very high139 Ų139120.5 Ų120.574%0.74364%0.64SS**THydrogen-bonded Turntrans-87.2-11.5175.7-53.4-65.6000112.9D352 E356D352-N354 PolarHBondContact O-N 3.15Å; D352-N354 VanDerWaalsContact O-N 3.09Å; D352-N354 WeakPolarHBondContact OD1-CB 3.4Å; D352-N354 PolarHBondContact OD1-N 2.89Å; D352-N354 PolarHBondContact OD1-ND2 3.46Å; N354-E356 PolarHBondContact O-N 3.22Å
355M97.3Very high96.4Very high133 Ų133118.7 Ų118.766%0.65563%0.63SS**SBendtrans-75.3106.6174.2-172.871.474.100109.6D352 I357D352-M355 HydrophobicContact CB-CB 4.46Å; D352-M355 WeakPolarHBondContact O-CB 3.43Å; D352-M355 PolarHBondContact O-N 3.16Å; M355-I357 PolarHBondContact O-N 2.94Å
356E97.1Very high96.3Very high90 Ų90124 Ų12442%0.42166%0.661SS.*  trans-71.3125.7179.9-171-176.287.100111.9K122 L152 N354K122-E356 HydrophobicContact CD-CG 4.14Å; K122-E356 VanDerWaalsContact CE-OE1 3.28Å; K122-E356 WeakPolarHBondContact CE-OE1 3.48Å; K122-E356 IonicContact NZ-OE1 3.06Å; K122-E356 PolarHBondContact NZ-OE1 2.93Å; L152-E356 VanDerWaalsContact CA-OE2 3.27Å; L152-E356 WeakPolarHBondContact CA-OE2 3.25Å; L152-E356 VanDerWaalsContact CB-OE2 3.25Å; L152-E356 WeakPolarHBondContact CB-OE2 3.29Å; L152-E356 HydrophobicContact CD1-CG 3.75Å; L152-E356 HydrophobicContact CG-CG 4.09Å; L152-E356 WeakPolarHBondContact CG-OE2 3.37Å; N354-E356 PolarHBondContact O-N 3.22Å
357I95.1Very high96.4Very high128 Ų128130.2 Ų130.266%0.65667%0.668SS**  trans-110.40179.961.5169.3000114K122 M355K122-I357 WeakPolarHBondContact CB-O 3.24Å; K122-I357 WeakPolarHBondContact CD-O 3.37Å; M355-I357 PolarHBondContact O-N 2.94Å

Retrieved 357 of 357 residues in 127 ms (Link to these results)

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