A0A087XJZ5_POEFO Loading...

Ectonucleoside triphosphate diphosphohydrolase 1

Catalyzes the hydrolysis of both di- and triphosphate nucleotides (NDPs and NTPs) and hydrolyze NTPs to nucleotide monophosphates (NMPs) in two distinct successive phosphate-releasing steps, with NDPs as intermediates and participates in the regulation of extracellular levels of nucleotides. By hydrolyzing proinflammatory ATP and platelet-activating ADP to AMP, it blocks platelet aggregation and supports blood flow.

AlphaFold DB , UniProt , Accession A0A087XJZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 497 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.2Very low46.2Very low250 Ų250176.4 Ų176.4100%1.23286%0.864SS**  0890-74.1164.666.500108.3
2S40.3Very low47.2Very low118 Ų118170.3 Ų170.383%0.82585%0.848SS**  trans-102107.7-178.9167.20000108.3Q4S2-Q4 PolarHBondContact O-N 3.2Å
3A47.4Very low48Very low98 Ų98172.2 Ų172.281%0.8184%0.84SS**  trans-74106173.100000109R5A3-R5 PolarHBondContact O-N 3.48Å
4Q41.2Very low49.2Very low190 Ų190166.3 Ų166.389%0.88881%0.81SS**  trans-74.7103.7171.8-137173.9-22.500108S2 E6S2-Q4 PolarHBondContact O-N 3.2Å; Q4-E6 PolarHBondContact O-N 3.12Å
5R47.4Very low50.3Low245 Ų245161.5 Ų161.593%0.92579%0.794SS**  trans-78.7100.7177.1-150.8178-166.9-1783.8107.7A3 M7A3-R5 PolarHBondContact O-N 3.48Å; R5-M7 PolarHBondContact O-N 3.28Å; R5-M7 VanDerWaalsContact O-N 3.1Å
6E44.5Very low51.9Low192 Ų192155.1 Ų155.190%0.89777%0.768SS**  trans-60.7111.7170.7-84.4-169.2147.900109.7Q4 K8Q4-E6 PolarHBondContact O-N 3.12Å; E6-K8 PolarHBondContact O-N 3.45Å; E6-K8 VanDerWaalsContact O-N 3.16Å
7M44.1Very low53.4Low182 Ų182151.6 Ų151.690%0.89775%0.753SS**  trans-76.199.4170.9-122.8177.36600108.3R5 E9R5-M7 PolarHBondContact O-N 3.28Å; R5-M7 VanDerWaalsContact O-N 3.1Å; M7-E9 PolarHBondContact O-N 3.11Å; M7-E9 VanDerWaalsContact O-N 3.07Å
8K46.8Very low54.8Low200 Ų200146.6 Ų146.687%0.8773%0.732SS**  trans-71.399.1172.4-138.5177.3-169.3175.80108.3E6 K10E6-K8 PolarHBondContact O-N 3.45Å; E6-K8 VanDerWaalsContact O-N 3.16Å; K8-K10 PolarHBondContact O-N 3.06Å
9E47Very low56.2Low185 Ų185143.9 Ų143.986%0.86472%0.719SS**  trans-62.197175.1-155.5176.9-157.700109M7 N11M7-E9 PolarHBondContact O-N 3.11Å; M7-E9 VanDerWaalsContact O-N 3.07Å; E9-N11 PolarHBondContact O-N 2.98Å
10K51.4Low57.6Low195 Ų195141.5 Ų141.585%0.84871%0.708SS**  trans-74.7103.4173.2-83.5-175.2177.7179.60107.5K8 P12K8-K10 PolarHBondContact O-N 3.06Å; K10-P12 WeakPolarHBondContact O-CD 3.13Å; K10-P12 VanDerWaalsContact O-N 3.14Å
11N54.5Low59Low85 Ų85135.9 Ų135.946%0.45568%0.68SS.*  trans-57.4115.8175.8-1635.2000109.2E9 W13 H14E9-N11 PolarHBondContact O-N 2.98Å; N11-W13 PolarHBondContact O-N 3.17Å; N11-H14 VanDerWaalsContact CB-CD2 3.48Å; N11-H14 WeakPolarHBondContact CB-CD2 3.21Å; N11-H14 PolarHBondContact O-N 3.31Å
12P58.6Low60.9Low103 Ų103128 Ų12867%0.66965%0.646SS**THydrogen-bonded Turntrans-67-8.7-169.224.1-32.8000113.9K10K10-P12 WeakPolarHBondContact O-CD 3.13Å; K10-P12 VanDerWaalsContact O-N 3.14Å
13W57.4Low63.2Low195 Ų195126 Ų12674%0.73963%0.628SS**THydrogen-bonded Turntrans-88.3-8.8-179.3-64.191.7000114.5N11 L17N11-W13 PolarHBondContact O-N 3.17Å; W13-L17 VanDerWaalsContact O-CB 3.25Å; W13-L17 WeakPolarHBondContact O-CB 3.36Å; W13-L17 PolarHBondContact O-N 2.83Å
14H64.6Low65.2Low90 Ų90124.8 Ų124.842%0.41761%0.608SS.*Hα-helixtrans-70.6-43.8-175.8-80-52.7000113.7N11 L17 T18N11-H14 VanDerWaalsContact CB-CD2 3.48Å; N11-H14 WeakPolarHBondContact CB-CD2 3.21Å; N11-H14 PolarHBondContact O-N 3.31Å; H14-L17 PolarHBondContact O-N 2.88Å; H14-T18 WeakPolarHBondContact O-CG2 3.29Å; H14-T18 PolarHBondContact O-N 3.14Å; H14-T18 PolarHBondContact O-OG1 3.02Å; H14-T18 VanDerWaalsContact O-OG1 3.12Å
15T66.3Low67.5Low95 Ų95116.3 Ų116.358%0.58357%0.571SS**Hα-helixtrans-66.6-46.2-177.3-43.30000114L17 T18 I19T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 2.85Å; T15-T18 PolarHBondContact O-OG1 2.91Å; T15-I19 HydrophobicContact CG2-CD1 4.32Å; T15-I19 WeakPolarHBondContact O-CD1 3.4Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 2.89Å
16P76.1Confident69.5Low58 Ų58109 Ų10938%0.37755%0.553SS.*Hα-helixtrans-66.5-35.3175.423-31.7000112.2I19 I20P16-I19 PolarHBondContact O-N 2.83Å; P16-I20 WeakPolarHBondContact O-CD1 3.31Å; P16-I20 VanDerWaalsContact O-CG1 3.26Å; P16-I20 WeakPolarHBondContact O-CG1 3.13Å; P16-I20 PolarHBondContact O-N 2.99Å
17L77.4Confident71.7Confident96 Ų96104.9 Ų104.950%0.50354%0.536SS..Hα-helixtrans-66.9-40.7178.1-174.665.5000112.4W13 H14 T15 I20 I21W13-L17 VanDerWaalsContact O-CB 3.25Å; W13-L17 WeakPolarHBondContact O-CB 3.36Å; W13-L17 PolarHBondContact O-N 2.83Å; H14-L17 PolarHBondContact O-N 2.88Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 2.85Å; L17-I20 PolarHBondContact O-N 3.43Å; L17-I21 HydrophobicContact CG-CD1 4.13Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.07Å; L17-I21 PolarHBondContact O-N 3.22Å
18T77.8Confident73.8Confident61 Ų6196.7 Ų96.737%0.37450%0.498SS..Hα-helixtrans-65.8-38175.948.40000112H14 T15 I21 T22H14-T18 WeakPolarHBondContact O-CG2 3.29Å; H14-T18 PolarHBondContact O-N 3.14Å; H14-T18 PolarHBondContact O-OG1 3.02Å; H14-T18 VanDerWaalsContact O-OG1 3.12Å; T15-T18 PolarHBondContact O-OG1 2.91Å; T18-I21 PolarHBondContact O-N 3.22Å; T18-T22 WeakPolarHBondContact O-CG2 3.43Å; T18-T22 PolarHBondContact O-N 3.24Å; T18-T22 PolarHBondContact O-OG1 3.42Å; T18-T22 VanDerWaalsContact O-OG1 3.13Å
19I81.5Confident75.8Confident97 Ų9791.4 Ų91.450%0.49748%0.478SS..Hα-helixtrans-64.1-41.3175.1-66.7165.8000111.1T15 P16 T22 V23T15-I19 HydrophobicContact CG2-CD1 4.32Å; T15-I19 WeakPolarHBondContact O-CD1 3.4Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 2.89Å; P16-I19 PolarHBondContact O-N 2.83Å; I19-T22 WeakPolarHBondContact CA-OG1 3.47Å; I19-T22 PolarHBondContact O-N 2.86Å; I19-T22 PolarHBondContact O-OG1 3.38Å; I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 WeakPolarHBondContact O-CB 3.39Å; I19-V23 VanDerWaalsContact O-CG2 3.25Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 2.85Å
20I85.2Confident77.9Confident95 Ų9586.6 Ų86.649%0.48746%0.461SS..Hα-helixtrans-64.6-45.1177-68.7164.1000110.7P16 L17 T22 V23 I24P16-I20 WeakPolarHBondContact O-CD1 3.31Å; P16-I20 VanDerWaalsContact O-CG1 3.26Å; P16-I20 WeakPolarHBondContact O-CG1 3.13Å; P16-I20 PolarHBondContact O-N 2.99Å; L17-I20 PolarHBondContact O-N 3.43Å; I20-T22 VanDerWaalsContact C-N 3.35Å; I20-T22 PolarHBondContact O-N 3.04Å; I20-V23 PolarHBondContact O-N 2.82Å; I20-I24 HydrophobicContact CG2-CD1 3.67Å; I20-I24 HydrophobicContact CG2-CG1 4.38Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.13Å
21I86Confident79.7Confident23 Ų2379.2 Ų79.212%0.11844%0.436CS..Hα-helixtrans-61.3-42.6178.2-70.1168000111.2L17 T18 G25 L478 L481L17-I21 HydrophobicContact CG-CD1 4.13Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.07Å; L17-I21 PolarHBondContact O-N 3.22Å; T18-I21 PolarHBondContact O-N 3.22Å; I21-G25 PolarHBondContact O-N 3.3Å; I21-L478 HydrophobicContact CG1-CD2 4.44Å; I21-L478 HydrophobicContact CG2-CB 4.27Å; I21-L478 HydrophobicContact CG2-CD2 4.12Å; I21-L481 HydrophobicContact CD1-CB 4.21Å
22T83.8Confident81.4Confident84 Ų8477.6 Ų77.652%0.51543%0.427SS..Hα-helixtrans-68.1-41.9178.852.30000112.1T18 I19 I20 G25 V26T18-T22 WeakPolarHBondContact O-CG2 3.43Å; T18-T22 PolarHBondContact O-N 3.24Å; T18-T22 PolarHBondContact O-OG1 3.42Å; T18-T22 VanDerWaalsContact O-OG1 3.13Å; I19-T22 WeakPolarHBondContact CA-OG1 3.47Å; I19-T22 PolarHBondContact O-N 2.86Å; I19-T22 PolarHBondContact O-OG1 3.38Å; I20-T22 VanDerWaalsContact C-N 3.35Å; I20-T22 PolarHBondContact O-N 3.04Å; T22-G25 PolarHBondContact O-N 3.37Å; T22-V26 WeakPolarHBondContact O-CG2 3.34Å; T22-V26 PolarHBondContact O-N 3.04Å
23V88.8Confident82.8Confident76 Ų7676.2 Ų76.246%0.46142%0.417SS..Hα-helixtrans-62.1-46.6176.4170.70000111.2I19 I20 G25 V26 I27I19-V23 HydrophobicContact CG2-CG2 4.43Å; I19-V23 WeakPolarHBondContact O-CB 3.39Å; I19-V23 VanDerWaalsContact O-CG2 3.25Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 2.85Å; I20-V23 PolarHBondContact O-N 2.82Å; V23-G25 VanDerWaalsContact C-N 3.31Å; V23-G25 PolarHBondContact O-N 3.35Å; V23-V26 PolarHBondContact O-N 3.47Å; V23-I27 HydrophobicContact CG1-CD1 3.87Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.48Å; V23-I27 PolarHBondContact O-N 3.16Å
24I88.8Confident84.2Confident74 Ų7470.2 Ų70.238%0.37940%0.402SS..Hα-helixtrans-62.8-40.9176.8-63.9169.9000110.5I20 I27 A28 L474 L478I20-I24 HydrophobicContact CG2-CD1 3.67Å; I20-I24 HydrophobicContact CG2-CG1 4.38Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.13Å; I24-I27 PolarHBondContact O-N 2.66Å; I24-A28 WeakPolarHBondContact O-CB 3.28Å; I24-A28 PolarHBondContact O-N 2.96Å; I24-L474 HydrophobicContact CG2-CD2 4.5Å; I24-L478 HydrophobicContact CB-CD1 4.33Å; I24-L478 HydrophobicContact CG2-CD1 3.72Å; I24-L478 HydrophobicContact CG2-CD2 4.4Å
25G89.5Confident85.3Confident12 Ų1267.5 Ų67.512%0.12439%0.392CS..Hα-helixtrans-60.4-44.8175.600000112.8I21 T22 V23 A28 I29I21-G25 PolarHBondContact O-N 3.3Å; T22-G25 PolarHBondContact O-N 3.37Å; V23-G25 VanDerWaalsContact C-N 3.31Å; V23-G25 PolarHBondContact O-N 3.35Å; G25-A28 PolarHBondContact O-N 3.43Å; G25-I29 VanDerWaalsContact O-CG1 3.28Å; G25-I29 WeakPolarHBondContact O-CG1 3.49Å; G25-I29 PolarHBondContact O-N 2.92Å
26V88.9Confident86.2Confident90 Ų9064.1 Ų64.155%0.54537%0.374SS..Hα-helixtrans-63.3-44.9176.1171.30000111.1T22 V23 A28 I29 V30T22-V26 WeakPolarHBondContact O-CG2 3.34Å; T22-V26 PolarHBondContact O-N 3.04Å; V23-V26 PolarHBondContact O-N 3.47Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.49Å; V26-I29 PolarHBondContact O-N 3.5Å; V26-V30 HydrophobicContact CG1-CG2 4.38Å; V26-V30 WeakPolarHBondContact O-CG2 3.33Å; V26-V30 PolarHBondContact O-N 3.08Å
27I90.9Very high86.6Confident106 Ų10665.3 Ų65.354%0.54438%0.38SS..Hα-helixtrans-60.2-44.4176.8-68166.8000110.7V23 I24 I29 V30 A31V23-I27 HydrophobicContact CG1-CD1 3.87Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.48Å; V23-I27 PolarHBondContact O-N 3.16Å; I24-I27 PolarHBondContact O-N 2.66Å; I27-I29 PolarHBondContact O-N 2.79Å; I27-V30 PolarHBondContact O-N 2.73Å; I27-A31 WeakPolarHBondContact O-CB 3.34Å; I27-A31 PolarHBondContact O-N 2.93Å
28A88.7Confident86.9Confident10 Ų1065 Ų658%0.08338%0.378CS..Hα-helixtrans-63.6-39.2177.900000112.3I24 G25 V26 A31 L32 I471 L474 L475I24-A28 WeakPolarHBondContact O-CB 3.28Å; I24-A28 PolarHBondContact O-N 2.96Å; G25-A28 PolarHBondContact O-N 3.43Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.49Å; A28-A31 PolarHBondContact O-N 3.05Å; A28-L32 WeakPolarHBondContact O-CB 3.27Å; A28-L32 PolarHBondContact O-N 3.13Å; A28-I471 HydrophobicContact CB-CG2 4.15Å; A28-I471 WeakPolarHBondContact O-CG2 3.23Å; A28-L474 HydrophobicContact CB-CD2 3.65Å; A28-L475 HydrophobicContact CB-CD2 3.69Å; A28-L475 HydrophobicContact CB-CG 4.11Å
29I89.6Confident87.2Confident89 Ų8963 Ų6346%0.45636%0.364SS..Hα-helixtrans-65.1-47173.8-69.4165000110.8G25 V26 I27 A31 L32 V33 L475G25-I29 VanDerWaalsContact O-CG1 3.28Å; G25-I29 WeakPolarHBondContact O-CG1 3.49Å; G25-I29 PolarHBondContact O-N 2.92Å; V26-I29 PolarHBondContact O-N 3.5Å; I27-I29 PolarHBondContact O-N 2.79Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 2.97Å; I29-L32 PolarHBondContact O-N 3.42Å; I29-V33 HydrophobicContact CG2-CG2 4.34Å; I29-V33 WeakPolarHBondContact O-CG2 3.15Å; I29-V33 PolarHBondContact O-N 3.13Å; I29-L475 HydrophobicContact CG1-CD1 4.15Å; I29-L475 HydrophobicContact CG1-CD2 3.97Å
30V91.1Very high87.2Confident84 Ų8463.9 Ų63.951%0.50937%0.37SS..Hα-helixtrans-60.5-42.7177.8171.20000110.7V26 I27 V33 T34V26-V30 HydrophobicContact CG1-CG2 4.38Å; V26-V30 WeakPolarHBondContact O-CG2 3.33Å; V26-V30 PolarHBondContact O-N 3.08Å; I27-V30 PolarHBondContact O-N 2.73Å; V30-V33 PolarHBondContact O-N 2.99Å; V30-T34 VanDerWaalsContact O-CB 3.27Å; V30-T34 WeakPolarHBondContact O-CB 3.37Å; V30-T34 PolarHBondContact O-N 2.99Å; V30-T34 PolarHBondContact O-OG1 2.93Å
31A88.1Confident87Confident40 Ų4067.5 Ų67.533%0.33138%0.377SS..Hα-helixtrans-62.2-45.7175.400000111.7I27 A28 I29 T34 V35I27-A31 WeakPolarHBondContact O-CB 3.34Å; I27-A31 PolarHBondContact O-N 2.93Å; A28-A31 PolarHBondContact O-N 3.05Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 2.97Å; A31-T34 PolarHBondContact O-N 3.19Å; A31-V35 WeakPolarHBondContact O-CB 3.41Å; A31-V35 VanDerWaalsContact O-CG2 3.28Å; A31-V35 WeakPolarHBondContact O-CG2 3.48Å; A31-V35 PolarHBondContact O-N 3.35Å
32L89.8Confident86.3Confident51 Ų5172 Ų7227%0.26741%0.408SS..Hα-helixtrans-60.4-47.6177.5-173.4147.5000111.8A28 I29 V35 A36 I471 L475A28-L32 WeakPolarHBondContact O-CB 3.27Å; A28-L32 PolarHBondContact O-N 3.13Å; I29-L32 PolarHBondContact O-N 3.42Å; L32-V35 PolarHBondContact O-N 3.28Å; L32-A36 VanDerWaalsContact O-CB 3.32Å; L32-A36 WeakPolarHBondContact O-CB 3.34Å; L32-A36 PolarHBondContact O-N 3.4Å; L32-I471 HydrophobicContact CB-CG2 3.99Å; L32-I471 HydrophobicContact CD1-CB 4.39Å; L32-I471 HydrophobicContact CD1-CG2 3.92Å; L32-L475 HydrophobicContact CD1-CD1 4.36Å
33V87.8Confident85.5Confident75 Ų7571.3 Ų71.346%0.45540%0.404SS..Hα-helixtrans-63.7-43.4178173.30000110.5I29 V30 A36 V37I29-V33 HydrophobicContact CG2-CG2 4.34Å; I29-V33 WeakPolarHBondContact O-CG2 3.15Å; I29-V33 PolarHBondContact O-N 3.13Å; V30-V33 PolarHBondContact O-N 2.99Å; V33-A36 PolarHBondContact O-N 3.01Å; V33-V37 HydrophobicContact CG1-CG2 4.17Å; V33-V37 WeakPolarHBondContact O-CB 3.45Å; V33-V37 WeakPolarHBondContact O-CG2 3.26Å; V33-V37 PolarHBondContact O-N 3.38Å
34T87Confident84.5Confident68 Ų6872.4 Ų72.442%0.41741%0.413SS..Hα-helixtrans-62.8-45.9179-56.90000111.3V30 A31 V37 L38V30-T34 VanDerWaalsContact O-CB 3.27Å; V30-T34 WeakPolarHBondContact O-CB 3.37Å; V30-T34 PolarHBondContact O-N 2.99Å; V30-T34 PolarHBondContact O-OG1 2.93Å; A31-T34 PolarHBondContact O-N 3.19Å; T34-V37 PolarHBondContact O-N 2.92Å; T34-L38 HydrophobicContact CG2-CD1 3.86Å; T34-L38 HydrophobicContact CG2-CG 4.34Å; T34-L38 WeakPolarHBondContact O-CB 3.36Å; T34-L38 VanDerWaalsContact O-CG 3.3Å; T34-L38 WeakPolarHBondContact O-CG 3.45Å; T34-L38 PolarHBondContact O-N 2.99Å
35V87.9Confident83.7Confident34 Ų3473.7 Ų73.721%0.20642%0.417CS..Hα-helixtrans-62.2-45176.11710000110.6A31 L32 V37 L38 Q39 L459 Y464 I467A31-V35 WeakPolarHBondContact O-CB 3.41Å; A31-V35 VanDerWaalsContact O-CG2 3.28Å; A31-V35 WeakPolarHBondContact O-CG2 3.48Å; A31-V35 PolarHBondContact O-N 3.35Å; L32-V35 PolarHBondContact O-N 3.28Å; V35-V37 PolarHBondContact O-N 3.47Å; V35-L38 PolarHBondContact O-N 2.99Å; V35-Q39 WeakPolarHBondContact O-CB 3.32Å; V35-Q39 PolarHBondContact O-N 3.5Å; V35-L459 HydrophobicContact CG1-CD1 4.05Å; V35-Y464 HydrophobicContact CG1-CD2 3.93Å; V35-Y464 HydrophobicContact CG1-CE2 4Å; V35-I467 HydrophobicContact CG1-CG2 4.35Å; V35-I467 HydrophobicContact CG2-CG2 4.46Å
36A85Confident83.5Confident24 Ų2476.5 Ų76.520%0.19843%0.426CS..Hα-helixtrans-62.3-42.5177.700000112.4L32 V33 N40L32-A36 VanDerWaalsContact O-CB 3.32Å; L32-A36 WeakPolarHBondContact O-CB 3.34Å; L32-A36 PolarHBondContact O-N 3.4Å; V33-A36 PolarHBondContact O-N 3.01Å; A36-N40 VanDerWaalsContact O-CB 3.25Å; A36-N40 WeakPolarHBondContact O-CB 3.49Å; A36-N40 PolarHBondContact O-N 3.04Å; A36-N40 PolarHBondContact O-ND2 3.32Å
37V85.6Confident83.5Confident83 Ų8376 Ų7650%0.50342%0.415SS..Hα-helixtrans-68.5-43.1179169.80000111.7V33 T34 V35 R41V33-V37 HydrophobicContact CG1-CG2 4.17Å; V33-V37 WeakPolarHBondContact O-CB 3.45Å; V33-V37 WeakPolarHBondContact O-CG2 3.26Å; V33-V37 PolarHBondContact O-N 3.38Å; T34-V37 PolarHBondContact O-N 2.92Å; V35-V37 PolarHBondContact O-N 3.47Å; V37-R41 PolarHBondContact O-N 3.3Å
38L84.4Confident83.5Confident88 Ų8872.1 Ų72.146%0.46139%0.394SS..Hα-helixtrans-70.6-37178.6-70.4176.6000112.1T34 V35T34-L38 HydrophobicContact CG2-CD1 3.86Å; T34-L38 HydrophobicContact CG2-CG 4.34Å; T34-L38 WeakPolarHBondContact O-CB 3.36Å; T34-L38 VanDerWaalsContact O-CG 3.3Å; T34-L38 WeakPolarHBondContact O-CG 3.45Å; T34-L38 PolarHBondContact O-N 2.99Å; V35-L38 PolarHBondContact O-N 2.99Å
39Q83.6Confident83.8Confident20 Ų2072.5 Ų72.59%0.09339%0.393CS..Hα-helixtrans-72.4-39.4179.7-172.873.14.100112.3V35 R41 P457 L459 Y464V35-Q39 WeakPolarHBondContact O-CB 3.32Å; V35-Q39 PolarHBondContact O-N 3.5Å; Q39-R41 VanDerWaalsContact C-N 3.33Å; Q39-P457 HydrophobicContact CG-CB 4.48Å; Q39-P457 VanDerWaalsContact NE2-CB 3.31Å; Q39-L459 PolarHBondContact NE2-O 2.9Å; Q39-Y464 HydrophobicContact CB-CD2 3.91Å; Q39-Y464 HydrophobicContact CB-CE2 3.86Å; Q39-Y464 HydrophobicContact CG-CD1 4.44Å; Q39-Y464 HydrophobicContact CG-CD2 3.54Å; Q39-Y464 HydrophobicContact CG-CE2 3.81Å; Q39-Y464 HydrophobicContact CG-CG 3.88Å
40N80.9Confident84.1Confident115 Ų11568.2 Ų68.262%0.61537%0.371SS*.THydrogen-bonded Turntrans-92.710.7-178-64.5-24.5000113.2A36A36-N40 VanDerWaalsContact O-CB 3.25Å; A36-N40 WeakPolarHBondContact O-CB 3.49Å; A36-N40 PolarHBondContact O-N 3.04Å; A36-N40 PolarHBondContact O-ND2 3.32Å
41R80.9Confident84.5Confident171 Ų17164.2 Ų64.265%0.64535%0.347SS*.SBendtrans-62.7130.6171.7-111.6-177.8178.2174.30.2108.7V37 Q39 V43V37-R41 PolarHBondContact O-N 3.3Å; Q39-R41 VanDerWaalsContact C-N 3.33Å; R41-V43 PolarHBondContact O-N 3.48Å; R41-V43 VanDerWaalsContact O-N 3.16Å
42P70.7Confident85Confident117 Ų11762.3 Ų62.376%0.7633%0.331SS*.PPolyproline II helixtrans-59.8123.8175.622.8-30.4000108.6P44P42-P44 WeakPolarHBondContact O-CD 3.01Å
43V67.2Low85.4Confident70 Ų7059.9 Ų59.942%0.42432%0.319SS..PPolyproline II helixtrans-73.9118176.1179.50000107.3R41 Q45 D455R41-V43 PolarHBondContact O-N 3.48Å; R41-V43 VanDerWaalsContact O-N 3.16Å; V43-Q45 PolarHBondContact O-N 3.09Å; V43-D455 HydrophobicContact CG1-CB 3.33Å; V43-D455 WeakPolarHBondContact CG1-O 3.42Å
44P69Low85.9Confident100 Ų10057.7 Ų57.765%0.64930%0.304SS*.PPolyproline II helixtrans-65.4126.9179.724.6-30.1000109.7P42 K46P42-P44 WeakPolarHBondContact O-CD 3.01Å; P44-K46 PolarHBondContact O-N 3.21Å
45Q72.1Confident86.4Confident101 Ų10154.5 Ų54.547%0.47229%0.285SS..PPolyproline II helixtrans-63.9125.5176.8-171.3166.612.200109.6V43 Y47 P68V43-Q45 PolarHBondContact O-N 3.09Å; Q45-Y47 HydrophobicContact CB-CE2 3.96Å; Q45-Y47 HydrophobicContact CG-CD2 4.49Å; Q45-Y47 HydrophobicContact CG-CE2 3.93Å; Q45-Y47 WeakPolarHBondContact O-CD2 3.45Å; Q45-Y47 PolarHBondContact OE1-OH 3.03Å; Q45-P68 VanDerWaalsContact NE2-CB 3.33Å; Q45-P68 VanDerWaalsContact NE2-CG 3.27Å
46K83.7Confident86.8Confident70 Ų7053.4 Ų53.430%0.30428%0.28SS..PPolyproline II helixtrans-77.7132.3173.9-71.1-179.6-171.8162.60109P44 P68 A69 D455P44-K46 PolarHBondContact O-N 3.21Å; K46-P68 CarbonylContact O-C 3.4Å; K46-A69 HydrophobicContact CB-CB 3.82Å; K46-A69 WeakPolarHBondContact O-CB 3.31Å; K46-A69 PolarHBondContact O-N 2.92Å; K46-D455 VanDerWaalsContact CE-CG 3.45Å; K46-D455 WeakPolarHBondContact CE-OD1 3.39Å; K46-D455 WeakPolarHBondContact CE-OD2 3.31Å; K46-D455 VanDerWaalsContact NZ-CG 3.29Å; K46-D455 IonicContact NZ-OD1 2.8Å; K46-D455 PolarHBondContact NZ-OD1 3.48Å; K46-D455 IonicContact NZ-OD2 3.64Å; K46-D455 PolarHBondContact NZ-OD2 2.98Å
47Y88.9Confident87.2Confident80 Ų8053.5 Ų53.531%0.31428%0.28SS..EExtended strand (participates in β ladder)trans-110.4143172.8-73.9-95.8000110.8Q45 E66 W67 P68 R120Q45-Y47 HydrophobicContact CB-CE2 3.96Å; Q45-Y47 HydrophobicContact CG-CD2 4.49Å; Q45-Y47 HydrophobicContact CG-CE2 3.93Å; Q45-Y47 WeakPolarHBondContact O-CD2 3.45Å; Q45-Y47 PolarHBondContact OE1-OH 3.03Å; Y47-E66 HydrophobicContact CD1-CB 4.49Å; Y47-E66 HydrophobicContact CD1-CG 4.28Å; Y47-W67 CarbonylContact C-O 3.28Å; Y47-W67 WeakPolarHBondContact CA-O 3.29Å; Y47-P68 HydrophobicContact CE1-CG 4.38Å; Y47-R120 PolarHBondContact O-NE 3.46Å; Y47-R120 VanDerWaalsContact O-NE 3.08Å; Y47-R120 PolarHBondContact O-NH2 3Å
48K92Very high87.4Confident24 Ų2451.8 Ų51.810%0.10427%0.271CS..EExtended strand (participates in β ladder)trans-104.9159.1164.3-69.4-166.6177.6-168.50109.4E66 W67 A69 I449 P450 E452K48-E66 VanDerWaalsContact O-CA 3.25Å; K48-E66 WeakPolarHBondContact O-CA 3.37Å; K48-W67 HydrophobicContact CB-CD2 4.12Å; K48-W67 HydrophobicContact CB-CH2 4.34Å; K48-W67 HydrophobicContact CB-CZ2 3.63Å; K48-W67 HydrophobicContact CD-CZ2 4.4Å; K48-W67 PolarHBondContact N-O 2.8Å; K48-W67 PolarHBondContact O-N 2.85Å; K48-A69 HydrophobicContact CG-CB 4.07Å; K48-I449 HydrophobicContact CD-CG2 3.95Å; K48-P450 PolarHBondContact NZ-O 3.48Å; K48-E452 VanDerWaalsContact CE-CD 3.46Å; K48-E452 WeakPolarHBondContact CE-OE1 3.43Å; K48-E452 IonicContact NZ-OE1 2.74Å; K48-E452 PolarHBondContact NZ-OE1 2.65Å
49Y94.9Very high87.9Confident18 Ų1850.9 Ų50.97%0.07127%0.265CS..EExtended strand (participates in β ladder)trans-127.5158.3-177.6-64-84.5000109.8Y65 E66 W67 K81 V116 P117 R120 P125Y49-Y65 CarbonylContact C-O 3.55Å; Y49-Y65 VanDerWaalsContact CA-O 3.24Å; Y49-Y65 WeakPolarHBondContact CA-O 3.31Å; Y49-E66 HydrophobicContact CD1-CB 3.7Å; Y49-E66 HydrophobicContact CE1-CB 3.51Å; Y49-E66 HydrophobicContact CE1-CG 4.43Å; Y49-E66 WeakPolarHBondContact CE1-OE2 3.29Å; Y49-E66 PolarHBondContact OH-OE2 2.8Å; Y49-E66 VanDerWaalsContact OH-OE2 3.08Å; Y49-W67 VanDerWaalsContact C-CH2 3.46Å; Y49-W67 VanDerWaalsContact C-CZ3 3.43Å; Y49-W67 VanDerWaalsContact O-CH2 3.22Å; Y49-W67 WeakPolarHBondContact O-CH2 3.41Å; Y49-K81 HydrophobicContact CD1-CD 4.31Å; Y49-K81 HydrophobicContact CE1-CD 3.77Å; Y49-K81 PolarHBondContact OH-NZ 3.09Å; Y49-V116 HydrophobicContact CD1-CG1 4.46Å; Y49-V116 HydrophobicContact CD1-CG2 4.44Å; Y49-V116 HydrophobicContact CD2-CG1 4.07Å; Y49-V116 HydrophobicContact CG-CG1 3.93Å; Y49-P117 HydrophobicContact CE2-CG 4.05Å; Y49-R120 HydrophobicContact CD2-CB 3.92Å; Y49-R120 HydrophobicContact CD2-CG 4.05Å; Y49-R120 HydrophobicContact CE2-CB 4.32Å; Y49-R120 HydrophobicContact CE2-CG 4.03Å; Y49-P125 WeakPolarHBondContact O-CD 3.49Å
50G96.5Very high88.5Confident0 Ų050 Ų500%026%0.26CS..EExtended strand (participates in β ladder)trans-152.9142.617000000110.5Y65G50-Y65 PolarHBondContact N-O 3.32Å; G50-Y65 PolarHBondContact O-N 3.47Å
51I98.1Very high89.3Confident0 Ų044.7 Ų44.70%023%0.233CC..EExtended strand (participates in β ladder)trans-117.5128.5-177.7-57.7167.5000108.9L53 L62 Y63 I64 A112 V116 T124 P125 L126 Y127 F161I51-L53 HydrophobicContact CG2-CD1 4.21Å; I51-L62 HydrophobicContact CG2-CD1 3.95Å; I51-L62 HydrophobicContact CG2-CD2 4.08Å; I51-L62 HydrophobicContact CG2-CG 3.83Å; I51-Y63 WeakPolarHBondContact CA-O 3.49Å; I51-I64 HydrophobicContact CG1-CG1 4.45Å; I51-A112 HydrophobicContact CD1-CB 4Å; I51-V116 HydrophobicContact CD1-CG2 4.36Å; I51-T124 HydrophobicContact CD1-CG2 3.91Å; I51-T124 HydrophobicContact CG1-CG2 3.88Å; I51-P125 PolarHBondContact N-O 3.48Å; I51-L126 HydrophobicContact CB-CD1 3.82Å; I51-L126 HydrophobicContact CG2-CD1 3.52Å; I51-Y127 PolarHBondContact O-N 3.08Å; I51-F161 HydrophobicContact CD1-CD1 3.74Å; I51-F161 HydrophobicContact CD1-CD2 3.74Å; I51-F161 HydrophobicContact CD1-CE1 3.64Å; I51-F161 HydrophobicContact CD1-CE2 3.64Å; I51-F161 HydrophobicContact CD1-CG 3.78Å; I51-F161 HydrophobicContact CD1-CZ 3.58Å
52V98.2Very high90.1Very high0 Ų036.6 Ų36.60%020%0.202CC..EExtended strand (participates in β ladder)trans-125.2125.8173.6-171.80000109.2Y63 Y65 Y127 W437 T438 Y441 M442V52-Y63 PolarHBondContact N-O 3.19Å; V52-Y63 PolarHBondContact O-N 2.99Å; V52-Y65 HydrophobicContact CB-CE2 4.47Å; V52-Y65 HydrophobicContact CG2-CD2 4.38Å; V52-Y65 HydrophobicContact CG2-CE2 4.23Å; V52-Y127 WeakPolarHBondContact CA-O 3.38Å; V52-W437 HydrophobicContact CG1-CH2 3.82Å; V52-W437 HydrophobicContact CG1-CZ3 3.98Å; V52-T438 HydrophobicContact CB-CG2 4.27Å; V52-T438 HydrophobicContact CG1-CG2 3.71Å; V52-Y441 HydrophobicContact CG1-CD1 4.2Å; V52-Y441 HydrophobicContact CG2-CD1 4.27Å; V52-M442 HydrophobicContact CG2-CB 4.33Å; V52-M442 HydrophobicContact CG2-CE 3.3Å
53L98.4Very high91.4Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-95117.1166.8-66.692.8000109.2I51 A55 A61 L62 L105 M109 L126 Y127 L128 G129 L156I51-L53 HydrophobicContact CG2-CD1 4.21Å; L53-A55 PolarHBondContact O-N 3.35Å; L53-A61 CarbonylContact C-O 3.41Å; L53-A61 WeakPolarHBondContact CA-O 3.37Å; L53-L62 HydrophobicContact CD1-CD1 4.3Å; L53-L62 HydrophobicContact CD2-CD1 4.27Å; L53-L62 HydrophobicContact CG-CB 4.22Å; L53-L62 HydrophobicContact CG-CD1 4.14Å; L53-L62 HydrophobicContact CG-CG 4.22Å; L53-L105 HydrophobicContact CD2-CB 4.42Å; L53-L105 HydrophobicContact CD2-CD1 4.12Å; L53-L105 HydrophobicContact CD2-CD2 3.99Å; L53-L105 HydrophobicContact CD2-CG 4.39Å; L53-M109 HydrophobicContact CD1-SD 4.05Å; L53-M109 HydrophobicContact CD2-SD 4.3Å; L53-L126 HydrophobicContact CD1-CD1 3.4Å; L53-L126 VanDerWaalsContact CD1-CD1 3.4Å; L53-Y127 WeakPolarHBondContact CD1-O 3.15Å; L53-Y127 PolarHBondContact N-O 3.31Å; L53-L128 HydrophobicContact CB-CB 4.1Å; L53-L128 HydrophobicContact CB-CD1 3.83Å; L53-L128 HydrophobicContact CB-CG 3.94Å; L53-L128 HydrophobicContact CD2-CD1 4.27Å; L53-L128 WeakPolarHBondContact O-CA 3.33Å; L53-G129 PolarHBondContact O-N 2.04Å; L53-L156 HydrophobicContact CD1-CD2 4.24Å; L53-L156 HydrophobicContact CD2-CD2 4.3Å
54D98Very high92.8Very high29 Ų2929.1 Ų29.116%0.15515%0.151CC..EExtended strand (participates in β ladder)trans-83.6102.6167.5-175.70.9000109.7G56 T60 A61 Y63 W437 T438D54-G56 VanDerWaalsContact C-N 3.35Å; D54-G56 PolarHBondContact O-N 2.93Å; D54-G56 PolarHBondContact OD1-N 3.13Å; D54-T60 CarbonylContact O-C 3.52Å; D54-T60 WeakPolarHBondContact O-CA 3.38Å; D54-T60 WeakPolarHBondContact O-CG2 3.42Å; D54-A61 PolarHBondContact N-O 3.27Å; D54-A61 PolarHBondContact O-N 3.09Å; D54-Y63 HydrophobicContact CB-CE2 4.17Å; D54-W437 HydrophobicContact CB-CZ2 3.88Å; D54-W437 WeakPolarHBondContact OD1-CZ2 3.44Å; D54-W437 PolarHBondContact OD1-NE1 2.88Å; D54-W437 PolarHBondContact OD2-NE1 3.25Å; D54-W437 VanDerWaalsContact OD2-NE1 3.14Å; D54-T438 HydrophobicContact CB-CG2 3.7Å
55A97.9Very high94.1Very high1 Ų124.4 Ų24.41%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-90.372.8175.300000111L53 T60 I91 L128 G129 A130 T131L53-A55 PolarHBondContact O-N 3.35Å; A55-T60 HydrophobicContact CB-CG2 4.46Å; A55-I91 HydrophobicContact CB-CD1 3.59Å; A55-I91 HydrophobicContact CB-CG1 3.91Å; A55-I91 HydrophobicContact CB-CG2 4.4Å; A55-L128 HydrophobicContact CB-CD1 4.29Å; A55-L128 HydrophobicContact CB-CD2 3.85Å; A55-L128 HydrophobicContact CB-CG 4.12Å; A55-G129 PolarHBondContact N-O 2.85Å; A55-A130 HydrophobicContact CB-CB 3.87Å; A55-A130 WeakPolarHBondContact O-CA 3.32Å; A55-T131 PolarHBondContact O-N 3.13Å
56G95.8Very high95Very high10 Ų1021.4 Ų21.410%0.10311%0.107CC..  trans-66.5166.6174.700000114.5D54 S58 H59 G90 T131D54-G56 VanDerWaalsContact C-N 3.35Å; D54-G56 PolarHBondContact O-N 2.93Å; D54-G56 PolarHBondContact OD1-N 3.13Å; G56-S58 VanDerWaalsContact C-N 3.33Å; G56-S58 PolarHBondContact O-N 2.87Å; G56-H59 CarbonylContact C-O 3.38Å; G56-H59 VanDerWaalsContact CA-O 3.28Å; G56-H59 WeakPolarHBondContact CA-O 3.44Å; G56-H59 PolarHBondContact N-O 2.86Å; G56-H59 VanDerWaalsContact N-O 3.1Å; G56-G90 WeakPolarHBondContact O-CA 3.43Å; G56-T131 WeakPolarHBondContact CA-OG1 3.49Å
57S94.1Very high95.3Very high27 Ų2718.1 Ų18.119%0.1899%0.092CC..SBendtrans-64.5-36.117959.80000113.6G203 A204S57-G203 WeakPolarHBondContact OG-CA 3.32Å; S57-A204 PolarHBondContact OG-N 2.79Å
58S90.6Very high95.2Very high47 Ų4715.4 Ų15.433%0.3299%0.085SC..SBendtrans-101.4-23.4-170-42.90000112.3G56 G90 D247G56-S58 VanDerWaalsContact C-N 3.33Å; G56-S58 PolarHBondContact O-N 2.87Å; S58-G90 PolarHBondContact O-N 3.36Å; S58-D247 PolarHBondContact OG-OD2 3.11Å
59H93.8Very high94.7Very high69 Ų6914.4 Ų14.432%0.3198%0.081SC..  trans-161.416717866.5-70.3000110.2G56G56-H59 CarbonylContact C-O 3.38Å; G56-H59 VanDerWaalsContact CA-O 3.28Å; G56-H59 WeakPolarHBondContact CA-O 3.44Å; G56-H59 PolarHBondContact N-O 2.86Å; G56-H59 VanDerWaalsContact N-O 3.1Å
60T97.3Very high93.8Very high0 Ų018 Ų180%010%0.098CC..EExtended strand (participates in β ladder)trans-110.4143.5167.2-60.60000109.5D54 A55 V86 L105D54-T60 CarbonylContact O-C 3.52Å; D54-T60 WeakPolarHBondContact O-CA 3.38Å; D54-T60 WeakPolarHBondContact O-CG2 3.42Å; A55-T60 HydrophobicContact CB-CG2 4.46Å; T60-V86 HydrophobicContact CG2-CB 4.44Å; T60-V86 HydrophobicContact CG2-CG2 3.89Å; T60-V86 VanDerWaalsContact O-CB 3.3Å; T60-V86 WeakPolarHBondContact O-CB 3.2Å; T60-V86 PolarHBondContact O-N 3.27Å; T60-L105 HydrophobicContact CG2-CD2 3.84Å
61A97.1Very high92.9Very high5 Ų519.6 Ų19.64%0.04111%0.105CC..EExtended strand (participates in β ladder)trans-132.2140.5173.200000110.1L53 D54 Y63 C84L53-A61 CarbonylContact C-O 3.41Å; L53-A61 WeakPolarHBondContact CA-O 3.37Å; D54-A61 PolarHBondContact N-O 3.27Å; D54-A61 PolarHBondContact O-N 3.09Å; A61-Y63 HydrophobicContact CB-CD2 4.46Å; A61-Y63 HydrophobicContact CB-CE2 3.62Å; A61-C84 CarbonylContact C-O 3.56Å; A61-C84 WeakPolarHBondContact CA-O 3.16Å
62L98Very high91.5Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-102134.5174-179.3152.5000108.7I51 L53 I64 S83 C84 C108 M109 A112I51-L62 HydrophobicContact CG2-CD1 3.95Å; I51-L62 HydrophobicContact CG2-CD2 4.08Å; I51-L62 HydrophobicContact CG2-CG 3.83Å; L53-L62 HydrophobicContact CD1-CD1 4.3Å; L53-L62 HydrophobicContact CD2-CD1 4.27Å; L53-L62 HydrophobicContact CG-CB 4.22Å; L53-L62 HydrophobicContact CG-CD1 4.14Å; L53-L62 HydrophobicContact CG-CG 4.22Å; L62-I64 HydrophobicContact CD2-CD1 4.12Å; L62-I64 HydrophobicContact CD2-CG1 3.55Å; L62-S83 CarbonylContact O-C 3.59Å; L62-S83 WeakPolarHBondContact O-CA 3.5Å; L62-C84 HydrophobicContact CB-CB 4.43Å; L62-C84 PolarHBondContact N-O 3.25Å; L62-C84 PolarHBondContact O-N 3.48Å; L62-C108 HydrophobicContact CB-CB 4.04Å; L62-C108 HydrophobicContact CD1-CB 4.13Å; L62-M109 HydrophobicContact CD1-CG 4.32Å; L62-M109 HydrophobicContact CD1-SD 3.39Å; L62-M109 WeakPolarHBondContact CD1-SD 3.48Å; L62-A112 HydrophobicContact CD1-CB 4.18Å; L62-A112 HydrophobicContact CD2-CB 4.17Å
63Y97.6Very high90.1Very high31 Ų3127.5 Ų27.512%0.12215%0.147CC..EExtended strand (participates in β ladder)trans-122133.2175.6-63.6-89000109.8I51 V52 D54 A61 D434 T438I51-Y63 WeakPolarHBondContact CA-O 3.49Å; V52-Y63 PolarHBondContact N-O 3.19Å; V52-Y63 PolarHBondContact O-N 2.99Å; D54-Y63 HydrophobicContact CB-CE2 4.17Å; A61-Y63 HydrophobicContact CB-CD2 4.46Å; A61-Y63 HydrophobicContact CB-CE2 3.62Å; Y63-D434 HydrophobicContact CE1-CB 3.96Å; Y63-D434 WeakPolarHBondContact CE1-OD2 3.34Å; Y63-T438 HydrophobicContact CD2-CG2 3.89Å; Y63-T438 HydrophobicContact CE2-CG2 4.18Å
64I97.3Very high88.8Confident0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-109.1122.4172.4-49.1-178.5000107I51 L62 K81 H82 A112 Q115 V116I51-I64 HydrophobicContact CG1-CG1 4.45Å; L62-I64 HydrophobicContact CD2-CD1 4.12Å; L62-I64 HydrophobicContact CD2-CG1 3.55Å; I64-K81 HydrophobicContact CG2-CB 4.43Å; I64-K81 HydrophobicContact CG2-CD 4.46Å; I64-K81 WeakPolarHBondContact O-CB 3.12Å; I64-K81 PolarHBondContact O-N 2.7Å; I64-H82 HydrophobicContact CB-CB 4.14Å; I64-H82 HydrophobicContact CD1-CB 3.97Å; I64-H82 HydrophobicContact CG1-CB 4.19Å; I64-H82 PolarHBondContact N-O 3.46Å; I64-H82 PolarHBondContact O-N 2.74Å; I64-A112 HydrophobicContact CD1-CB 3.81Å; I64-A112 HydrophobicContact CG1-CB 4.46Å; I64-Q115 HydrophobicContact CD1-CB 3.57Å; I64-Q115 HydrophobicContact CD1-CG 4.09Å; I64-V116 HydrophobicContact CD1-CG2 4.49Å; I64-V116 HydrophobicContact CG2-CG2 3.9Å
65Y95.1Very high87.8Confident0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-108.9147175.8-64.6-69.6000110.2Y49 G50 V52 V78 E79 Q80 T438 L439 M442Y49-Y65 CarbonylContact C-O 3.55Å; Y49-Y65 VanDerWaalsContact CA-O 3.24Å; Y49-Y65 WeakPolarHBondContact CA-O 3.31Å; G50-Y65 PolarHBondContact N-O 3.32Å; G50-Y65 PolarHBondContact O-N 3.47Å; V52-Y65 HydrophobicContact CB-CE2 4.47Å; V52-Y65 HydrophobicContact CG2-CD2 4.38Å; V52-Y65 HydrophobicContact CG2-CE2 4.23Å; Y65-V78 HydrophobicContact CD1-CG1 3.84Å; Y65-V78 HydrophobicContact CG-CG1 3.84Å; Y65-E79 CarbonylContact C-O 3.46Å; Y65-E79 VanDerWaalsContact CA-O 3.29Å; Y65-E79 WeakPolarHBondContact CA-O 3.31Å; Y65-Q80 HydrophobicContact CD1-CB 4.12Å; Y65-Q80 HydrophobicContact CE1-CB 3.88Å; Y65-Q80 HydrophobicContact CE1-CG 4.22Å; Y65-T438 WeakPolarHBondContact OH-CB 3.28Å; Y65-T438 PolarHBondContact OH-OG1 3.5Å; Y65-L439 HydrophobicContact CD1-CD1 3.73Å; Y65-L439 HydrophobicContact CE1-CB 3.95Å; Y65-L439 HydrophobicContact CE1-CD1 3.63Å; Y65-L439 HydrophobicContact CE1-CG 4.32Å; Y65-L439 HydrophobicContact CG-CD1 4.49Å; Y65-L439 PolarHBondContact OH-N 2.79Å; Y65-M442 HydrophobicContact CD2-CB 3.92Å; Y65-M442 HydrophobicContact CD2-CE 4.45Å; Y65-M442 HydrophobicContact CD2-CG 3.89Å; Y65-M442 HydrophobicContact CE2-CB 4.29Å; Y65-M442 HydrophobicContact CG-CB 4.48Å; Y65-M442 HydrophobicContact CG-CG 4.17Å
66E92.9Very high86.8Confident38 Ų3831.5 Ų31.518%0.17817%0.169CC..EExtended strand (participates in β ladder)trans-130150.7169.775.3-173.8158.100111.2Y47 K48 Y49 E79 K81Y47-E66 HydrophobicContact CD1-CB 4.49Å; Y47-E66 HydrophobicContact CD1-CG 4.28Å; K48-E66 VanDerWaalsContact O-CA 3.25Å; K48-E66 WeakPolarHBondContact O-CA 3.37Å; Y49-E66 HydrophobicContact CD1-CB 3.7Å; Y49-E66 HydrophobicContact CE1-CB 3.51Å; Y49-E66 HydrophobicContact CE1-CG 4.43Å; Y49-E66 WeakPolarHBondContact CE1-OE2 3.29Å; Y49-E66 PolarHBondContact OH-OE2 2.8Å; Y49-E66 VanDerWaalsContact OH-OE2 3.08Å; E66-E79 PolarHBondContact N-O 3.19Å; E66-E79 PolarHBondContact O-N 2.82Å; E66-K81 HydrophobicContact CG-CB 4.24Å; E66-K81 HydrophobicContact CG-CD 4.48Å; E66-K81 IonicContact OE1-NZ 2.66Å; E66-K81 WeakPolarHBondContact OE2-CD 3.37Å; E66-K81 IonicContact OE2-NZ 3.99Å; E66-K81 PolarHBondContact OE2-NZ 3.48Å
67W89.8Confident86.2Confident2 Ų236.8 Ų36.81%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-148.7153.2173.259.3104000110.4Y47 K48 Y49 A69 R77 V78 M442 T446 I449Y47-W67 CarbonylContact C-O 3.28Å; Y47-W67 WeakPolarHBondContact CA-O 3.29Å; K48-W67 HydrophobicContact CB-CD2 4.12Å; K48-W67 HydrophobicContact CB-CH2 4.34Å; K48-W67 HydrophobicContact CB-CZ2 3.63Å; K48-W67 HydrophobicContact CD-CZ2 4.4Å; K48-W67 PolarHBondContact N-O 2.8Å; K48-W67 PolarHBondContact O-N 2.85Å; Y49-W67 VanDerWaalsContact C-CH2 3.46Å; Y49-W67 VanDerWaalsContact C-CZ3 3.43Å; Y49-W67 VanDerWaalsContact O-CH2 3.22Å; Y49-W67 WeakPolarHBondContact O-CH2 3.41Å; W67-A69 PolarHBondContact O-N 2.7Å; W67-R77 WeakPolarHBondContact CA-O 3.26Å; W67-R77 WeakPolarHBondContact CB-O 3.3Å; W67-V78 HydrophobicContact CB-CG2 4.25Å; W67-V78 HydrophobicContact CD2-CG2 4.28Å; W67-V78 HydrophobicContact CE3-CG1 4.27Å; W67-V78 HydrophobicContact CE3-CG2 4.13Å; W67-V78 HydrophobicContact CG-CG2 4.34Å; W67-M442 HydrophobicContact CH2-SD 3.99Å; W67-M442 HydrophobicContact CZ3-CG 4.22Å; W67-M442 HydrophobicContact CZ3-SD 3.95Å; W67-T446 HydrophobicContact CD2-CG2 4.2Å; W67-T446 HydrophobicContact CE3-CG2 4.48Å; W67-T446 HydrophobicContact CH2-CG2 4.43Å; W67-T446 HydrophobicContact CZ2-CG2 4.15Å; W67-I449 HydrophobicContact CH2-CD1 4.05Å; W67-I449 HydrophobicContact CZ2-CD1 3.64Å
68P86.5Confident85.9Confident23 Ų2335.5 Ų35.515%0.14918%0.177CC..EExtended strand (participates in β ladder)trans-51.1139.3165.7-27.937.5000110.9Q45 K46 Y47 E70 R77Q45-P68 VanDerWaalsContact NE2-CB 3.33Å; Q45-P68 VanDerWaalsContact NE2-CG 3.27Å; K46-P68 CarbonylContact O-C 3.4Å; Y47-P68 HydrophobicContact CE1-CG 4.38Å; P68-E70 CarbonylContact C-O 3.58Å; P68-E70 PolarHBondContact O-N 2.76Å; P68-R77 WeakPolarHBondContact CD-O 3.11Å
69A80.1Confident85.8Confident3 Ų339.1 Ų39.13%0.02519%0.188CC..SBendtrans-65.7-21.1-179.800000112.7K46 K48 W67 E452K46-A69 HydrophobicContact CB-CB 3.82Å; K46-A69 WeakPolarHBondContact O-CB 3.31Å; K46-A69 PolarHBondContact O-N 2.92Å; K48-A69 HydrophobicContact CG-CB 4.07Å; W67-A69 PolarHBondContact O-N 2.7Å; A69-E452 HydrophobicContact CB-CB 3.84Å; A69-E452 HydrophobicContact CB-CG 4.29Å; A69-E452 PolarHBondContact O-N 2.93Å
70E77.7Confident85.8Confident94 Ų9437.4 Ų37.444%0.43918%0.18SC..SBendtrans-71.7155.2167.1-66169.2-135.900111.9P68 P454P68-E70 CarbonylContact C-O 3.58Å; P68-E70 PolarHBondContact O-N 2.76Å; E70-P454 WeakPolarHBondContact OE1-CB 3.32Å
71K76.4Confident85.6Confident32 Ų3240.7 Ų40.714%0.13920%0.195CC..  trans-136150.4-175.7-59.2-168.4-178.1-172.80112.6N74 T446 I449 A451K71-N74 VanDerWaalsContact CD-O 3.28Å; K71-N74 WeakPolarHBondContact CD-O 3.44Å; K71-T446 PolarHBondContact NZ-O 3.02Å; K71-I449 PolarHBondContact NZ-O 2.99Å; K71-A451 HydrophobicContact CB-CB 4.18Å; K71-A451 HydrophobicContact CD-CB 4.1Å; K71-A451 HydrophobicContact CG-CB 3.92Å
72D68.4Low85.5Confident44 Ų4442.7 Ų42.724%0.23520%0.203CC..BIsolated β-bridgetrans-95.9110.3170.7-69-16.7000108.4N74 T75 R77 K190 Y230D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 2.64Å; D72-T75 PolarHBondContact N-O 3.03Å; D72-T75 PolarHBondContact O-N 3.45Å; D72-R77 IonicContact OD1-CZ 3.21Å; D72-R77 IonicContact OD1-NE 3.47Å; D72-R77 IonicContact OD1-NH2 3.14Å; D72-R77 PolarHBondContact OD1-NH2 3.1Å; D72-R77 VanDerWaalsContact OD1-NH2 3.09Å; D72-R77 IonicContact OD2-CZ 2.75Å; D72-R77 IonicContact OD2-NE 3.56Å; D72-R77 PolarHBondContact OD2-NE 2.92Å; D72-R77 IonicContact OD2-NH2 2.8Å; D72-R77 PolarHBondContact OD2-NH2 3.14Å; D72-K190 IonicContact OD2-NZ 3.38Å; D72-K190 PolarHBondContact OD2-NZ 2.77Å; D72-Y230 HydrophobicContact CB-CD1 4.3Å; D72-Y230 HydrophobicContact CB-CE1 4.31Å
73N69.9Low85.4Confident122 Ų12245 Ų4565%0.65222%0.219SC*.THydrogen-bonded Turntrans51.145.9-179-67.6-15000113.5T75 Y230N73-T75 PolarHBondContact O-N 2.87Å; N73-Y230 PolarHBondContact ND2-O 3.11Å
74N71.4Confident85.3Confident113 Ų11344 Ų4460%0.60422%0.217SC*.THydrogen-bonded Turntrans68.6-3.6-175.1-56.7-37.6000116.2K71 D72 N447K71-N74 VanDerWaalsContact CD-O 3.28Å; K71-N74 WeakPolarHBondContact CD-O 3.44Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 PolarHBondContact O-N 2.64Å; N74-N447 WeakPolarHBondContact O-CA 3.34Å; N74-N447 PolarHBondContact O-OD1 3.22Å
75T76.6Confident85.3Confident2 Ų250.9 Ų50.91%0.01225%0.247CC..BIsolated β-bridgetrans-100130.3177.2-490000110.7D72 N73 Y230 L443 N447D72-T75 PolarHBondContact N-O 3.03Å; D72-T75 PolarHBondContact O-N 3.45Å; N73-T75 PolarHBondContact O-N 2.87Å; T75-Y230 VanDerWaalsContact CB-CE1 3.43Å; T75-Y230 HydrophobicContact CG2-CD1 4.21Å; T75-Y230 HydrophobicContact CG2-CD2 4.43Å; T75-Y230 HydrophobicContact CG2-CE1 3.58Å; T75-Y230 HydrophobicContact CG2-CE2 3.83Å; T75-Y230 WeakPolarHBondContact CG2-OH 3.27Å; T75-Y230 PolarHBondContact OG1-N 3.47Å; T75-L443 HydrophobicContact CG2-CD2 4.29Å; T75-N447 VanDerWaalsContact CA-OD1 3.24Å; T75-N447 WeakPolarHBondContact CA-OD1 3.29Å; T75-N447 WeakPolarHBondContact CB-OD1 3.28Å; T75-N447 PolarHBondContact OG1-OD1 3.12Å
76G77Confident85.4Confident0 Ų051 Ų510%025%0.248CC..  trans-71.6156177.400000112.5V78 Y230 T446G76-V78 PolarHBondContact O-N 3.24Å; G76-Y230 PolarHBondContact O-OH 2.64Å; G76-T446 PolarHBondContact N-OG1 3.39Å; G76-T446 VanDerWaalsContact N-OG1 3.08Å
77R83.6Confident85.4Confident120 Ų12055.9 Ų55.945%0.45327%0.268SS..  trans-92.983.3164-65-172-166.4167.814.4108.5W67 P68 D72 Y184W67-R77 WeakPolarHBondContact CA-O 3.26Å; W67-R77 WeakPolarHBondContact CB-O 3.3Å; P68-R77 WeakPolarHBondContact CD-O 3.11Å; D72-R77 IonicContact OD1-CZ 3.21Å; D72-R77 IonicContact OD1-NE 3.47Å; D72-R77 IonicContact OD1-NH2 3.14Å; D72-R77 PolarHBondContact OD1-NH2 3.1Å; D72-R77 VanDerWaalsContact OD1-NH2 3.09Å; D72-R77 IonicContact OD2-CZ 2.75Å; D72-R77 IonicContact OD2-NE 3.56Å; D72-R77 PolarHBondContact OD2-NE 2.92Å; D72-R77 IonicContact OD2-NH2 2.8Å; D72-R77 PolarHBondContact OD2-NH2 3.14Å; R77-Y184 WeakPolarHBondContact CA-OH 3.36Å
78V87.1Confident85.5Confident1 Ų158.4 Ų58.41%0.00630%0.295CS..  trans-78.6131.6-176-172.30000111Y65 W67 G76 Y184 L439 M442 L443 T446Y65-V78 HydrophobicContact CD1-CG1 3.84Å; Y65-V78 HydrophobicContact CG-CG1 3.84Å; W67-V78 HydrophobicContact CB-CG2 4.25Å; W67-V78 HydrophobicContact CD2-CG2 4.28Å; W67-V78 HydrophobicContact CE3-CG1 4.27Å; W67-V78 HydrophobicContact CE3-CG2 4.13Å; W67-V78 HydrophobicContact CG-CG2 4.34Å; G76-V78 PolarHBondContact O-N 3.24Å; V78-Y184 PolarHBondContact N-OH 3.22Å; V78-Y184 WeakPolarHBondContact O-CE1 3.34Å; V78-Y184 VanDerWaalsContact O-CZ 3.3Å; V78-Y184 PolarHBondContact O-OH 2.92Å; V78-L439 HydrophobicContact CB-CD1 3.8Å; V78-L439 HydrophobicContact CG1-CD1 3.42Å; V78-L439 VanDerWaalsContact CG1-CD1 3.42Å; V78-M442 HydrophobicContact CG1-CG 4.12Å; V78-L443 HydrophobicContact CB-CD2 3.84Å; V78-L443 HydrophobicContact CB-CG 4.24Å; V78-L443 HydrophobicContact CG2-CD2 3.53Å; V78-L443 HydrophobicContact CG2-CG 4.1Å; V78-T446 HydrophobicContact CG2-CG2 3.5Å
79E89.1Confident85.8Confident122 Ų12263.9 Ų63.957%0.5732%0.317SS*.EExtended strand (participates in β ladder)trans-126143.8175-66.2-179.2176.400109.5Y65 E66 K81Y65-E79 CarbonylContact C-O 3.46Å; Y65-E79 VanDerWaalsContact CA-O 3.29Å; Y65-E79 WeakPolarHBondContact CA-O 3.31Å; E66-E79 PolarHBondContact N-O 3.19Å; E66-E79 PolarHBondContact O-N 2.82Å; E79-K81 PolarHBondContact O-N 3.31Å
80Q92.4Very high86.5Confident33 Ų3363.8 Ų63.815%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-74.3119.1173.2-176.4172.7-47.700109.6Y65 S433 D434Y65-Q80 HydrophobicContact CD1-CB 4.12Å; Y65-Q80 HydrophobicContact CE1-CB 3.88Å; Y65-Q80 HydrophobicContact CE1-CG 4.22Å; Q80-S433 WeakPolarHBondContact CB-OG 3.49Å; Q80-S433 PolarHBondContact N-OG 2.87Å; Q80-D434 PolarHBondContact NE2-OD2 3.13Å
81K93.1Very high87.5Confident70 Ų7059.3 Ų59.330%0.30430%0.295SS..EExtended strand (participates in β ladder)trans-89.6-43.6177.7-178.2177.6-168.1129.70112.5Y49 I64 E66 E79Y49-K81 HydrophobicContact CD1-CD 4.31Å; Y49-K81 HydrophobicContact CE1-CD 3.77Å; Y49-K81 PolarHBondContact OH-NZ 3.09Å; I64-K81 HydrophobicContact CG2-CB 4.43Å; I64-K81 HydrophobicContact CG2-CD 4.46Å; I64-K81 WeakPolarHBondContact O-CB 3.12Å; I64-K81 PolarHBondContact O-N 2.7Å; E66-K81 HydrophobicContact CG-CB 4.24Å; E66-K81 HydrophobicContact CG-CD 4.48Å; E66-K81 IonicContact OE1-NZ 2.66Å; E66-K81 WeakPolarHBondContact OE2-CD 3.37Å; E66-K81 IonicContact OE2-NZ 3.99Å; E66-K81 PolarHBondContact OE2-NZ 3.48Å; E79-K81 PolarHBondContact O-N 3.31Å
82H94.8Very high88.5Confident46 Ų4659 Ų5921%0.21330%0.297CS..EExtended strand (participates in β ladder)trans-153.4152.9-175.3-171.664.3000110.4I64 E111 Q115I64-H82 HydrophobicContact CB-CB 4.14Å; I64-H82 HydrophobicContact CD1-CB 3.97Å; I64-H82 HydrophobicContact CG1-CB 4.19Å; I64-H82 PolarHBondContact N-O 3.46Å; I64-H82 PolarHBondContact O-N 2.74Å; H82-E111 IonicContact CE1-OE2 3.87Å; H82-E111 IonicContact NE2-OE2 2.64Å; H82-E111 PolarHBondContact NE2-OE2 3.12Å; H82-E111 VanDerWaalsContact NE2-OE2 3.08Å; H82-Q115 HydrophobicContact CB-CG 4.27Å
83S95.9Very high89.8Confident49 Ų4959.6 Ų59.634%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-136.8146.4167.6640000110.9L62L62-S83 CarbonylContact O-C 3.59Å; L62-S83 WeakPolarHBondContact O-CA 3.5Å
84C97.2Very high91.1Very high11 Ų1155.7 Ų55.77%0.07428%0.28CS..EExtended strand (participates in β ladder)trans-134.1123.3177177.90000110.1A61 L62 C108A61-C84 CarbonylContact C-O 3.56Å; A61-C84 WeakPolarHBondContact CA-O 3.16Å; L62-C84 HydrophobicContact CB-CB 4.43Å; L62-C84 PolarHBondContact N-O 3.25Å; L62-C84 PolarHBondContact O-N 3.48Å; C84-C108 VanDerWaalsContact C-SG 3.55Å; C84-C108 HydrophobicContact CB-CB 3.64Å; C84-C108 WeakPolarHBondContact CB-SG 3.17Å; C84-C108 PolarHBondContact O-SG 3.39Å; C84-C108 WeakPolarHBondContact SG-CA 3.37Å; C84-C108 WeakPolarHBondContact SG-CB 2.96Å; C84-C108 CovalentContact SG-SG 2.04Å; C84-C108 PolarHBondContact SG-SG 3.03Å
85K96.3Very high92.2Very high143 Ų14351.9 Ų51.962%0.62226%0.264SS*.EExtended strand (participates in β ladder)trans-86.6115.9175.5-177.1172.8-177.6169.10109.9K87K85-K87 PolarHBondContact O-N 2.97Å
86V96.9Very high93.2Very high4 Ų456.4 Ų56.42%0.02430%0.302CS..  trans-63.2133.9177.5175.80000109.8T60 S104 L105 C108T60-V86 HydrophobicContact CG2-CB 4.44Å; T60-V86 HydrophobicContact CG2-CG2 3.89Å; T60-V86 VanDerWaalsContact O-CB 3.3Å; T60-V86 WeakPolarHBondContact O-CB 3.2Å; T60-V86 PolarHBondContact O-N 3.27Å; V86-S104 WeakPolarHBondContact CG1-O 3.3Å; V86-L105 HydrophobicContact CG2-CD2 4.15Å; V86-C108 HydrophobicContact CG2-CB 4.22Å
87K93.7Very high94.1Very high140 Ų14061.4 Ų61.461%0.60933%0.325SS*.SBendtrans-69.5135.9175.6-68.1176.8-172.2150.30110.2K85 E107K85-K87 PolarHBondContact O-N 2.97Å; K87-E107 WeakPolarHBondContact CD-OE2 2.99Å; K87-E107 WeakPolarHBondContact CE-OE1 3.27Å; K87-E107 VanDerWaalsContact CE-OE2 3.31Å; K87-E107 WeakPolarHBondContact CE-OE2 3.37Å; K87-E107 IonicContact NZ-OE1 3.06Å; K87-E107 PolarHBondContact NZ-OE1 2.98Å; K87-E107 IonicContact NZ-OE2 2.86Å; K87-E107 PolarHBondContact NZ-OE2 3.49Å
88G91.5Very high94.8Very high55 Ų5557 Ų5757%0.56731%0.312SS*.SBendtrans105.3-155.8178.400000112.7
89K92.4Very high95.3Very high138 Ų13861.9 Ų61.960%0.634%0.335SS*.SBendtrans-97.6172-178.7-69.7-179.9-176.9177.40110.3S93K89-S93 WeakPolarHBondContact CB-OG 3.39Å
90G95.3Very high95.7Very high0 Ų060.2 Ų60.20%033%0.326CS..  trans-60.6157.4173.100000112.7G56 S58 S92 S93G56-G90 WeakPolarHBondContact O-CA 3.43Å; S58-G90 PolarHBondContact O-N 3.36Å; G90-S92 PolarHBondContact O-N 2.77Å; G90-S92 VanDerWaalsContact O-N 3.12Å; G90-S93 WeakPolarHBondContact O-CB 3.35Å; G90-S93 PolarHBondContact O-N 2.81Å; G90-S93 PolarHBondContact O-OG 3.42Å
91I98Very high95.9Very high1 Ų158.7 Ų58.71%0.00532%0.319CS..G310 helixtrans-59.2-29.1-171.463.9175.4000113.9A55 S93 Y94 A101 L128 A130 M134 V148 V152A55-I91 HydrophobicContact CB-CD1 3.59Å; A55-I91 HydrophobicContact CB-CG1 3.91Å; A55-I91 HydrophobicContact CB-CG2 4.4Å; I91-S93 PolarHBondContact O-N 3.49Å; I91-S93 VanDerWaalsContact O-N 3.16Å; I91-Y94 WeakPolarHBondContact O-CD2 3.42Å; I91-Y94 PolarHBondContact O-N 3.48Å; I91-Y94 VanDerWaalsContact O-N 3.11Å; I91-A101 HydrophobicContact CB-CB 4.25Å; I91-A101 HydrophobicContact CG2-CB 4.46Å; I91-L128 HydrophobicContact CD1-CD2 4.09Å; I91-A130 HydrophobicContact CD1-CB 4.14Å; I91-M134 HydrophobicContact CD1-CG 3.9Å; I91-M134 HydrophobicContact CD1-SD 4.15Å; I91-M134 HydrophobicContact CG1-CG 3.83Å; I91-M134 HydrophobicContact CG1-SD 3.83Å; I91-V148 HydrophobicContact CB-CG1 4.11Å; I91-V148 HydrophobicContact CD1-CG1 4.24Å; I91-V148 HydrophobicContact CG1-CG1 4.24Å; I91-V152 HydrophobicContact CD1-CG2 4.48Å; I91-V152 HydrophobicContact CG2-CG2 4.46Å
92S97Very high96.1Very high26 Ų2655.4 Ų55.418%0.18231%0.305CS..G310 helixtrans-63.7-21.1178.1640000113.3G90 Y94 A95 G133 M134G90-S92 PolarHBondContact O-N 2.77Å; G90-S92 VanDerWaalsContact O-N 3.12Å; S92-Y94 PolarHBondContact O-N 2.03Å; S92-A95 PolarHBondContact O-N 3.23Å; S92-G133 WeakPolarHBondContact CB-O 3.17Å; S92-M134 VanDerWaalsContact CA-SD 3.54Å; S92-M134 VanDerWaalsContact CB-SD 3.52Å
93S95.9Very high96.2Very high55 Ų5558.7 Ų58.739%0.38532%0.322SS..G310 helixtrans-71.7-11.3176.970.60000114.1K89 G90 I91K89-S93 WeakPolarHBondContact CB-OG 3.39Å; G90-S93 WeakPolarHBondContact O-CB 3.35Å; G90-S93 PolarHBondContact O-N 2.81Å; G90-S93 PolarHBondContact O-OG 3.42Å; I91-S93 PolarHBondContact O-N 3.49Å; I91-S93 VanDerWaalsContact O-N 3.16Å
94Y97.3Very high96.3Very high41 Ų4157.5 Ų57.516%0.16131%0.314CS..G310 helixtrans-97.719.1177.9-55.4-70.7000112.6I91 S92 A96 E97 P98 K100 A101I91-Y94 WeakPolarHBondContact O-CD2 3.42Å; I91-Y94 PolarHBondContact O-N 3.48Å; I91-Y94 VanDerWaalsContact O-N 3.11Å; S92-Y94 PolarHBondContact O-N 2.03Å; Y94-A96 PolarHBondContact O-N 3.33Å; Y94-A96 VanDerWaalsContact O-N 3.11Å; Y94-E97 CarbonylContact O-C 3.54Å; Y94-E97 WeakPolarHBondContact O-CA 3.2Å; Y94-E97 PolarHBondContact O-N 2.8Å; Y94-P98 WeakPolarHBondContact O-CA 3.42Å; Y94-P98 VanDerWaalsContact O-N 3.09Å; Y94-K100 HydrophobicContact CD1-CB 3.53Å; Y94-K100 HydrophobicContact CE1-CB 3.91Å; Y94-K100 HydrophobicContact CG-CB 4.13Å; Y94-A101 VanDerWaalsContact CD2-CA 3.49Å; Y94-A101 HydrophobicContact CD2-CB 3.78Å; Y94-A101 HydrophobicContact CG-CB 4.19Å
95A96.2Very high96.3Very high32 Ų3257 Ų5726%0.26431%0.31SS..THydrogen-bonded Turntrans-51.5-35.9178.500000113.7S92 L137 A144S92-A95 PolarHBondContact O-N 3.23Å; A95-L137 HydrophobicContact CB-CD1 3.64Å; A95-L137 HydrophobicContact CB-CD2 3.92Å; A95-L137 HydrophobicContact CB-CG 4.46Å; A95-A144 HydrophobicContact CB-CB 4.25Å
96A96Very high96.4Very high98 Ų9852 Ų5281%0.8129%0.292SS*.THydrogen-bonded Turntrans-81.3-19.417700000113.9Y94Y94-A96 PolarHBondContact O-N 3.33Å; Y94-A96 VanDerWaalsContact O-N 3.11Å
97E96.9Very high96.4Very high104 Ų10456.2 Ų56.249%0.48631%0.311SS..SBendtrans-139.166-178.1-61.3-175-85.300111Y94 E99 K100Y94-E97 CarbonylContact O-C 3.54Å; Y94-E97 WeakPolarHBondContact O-CA 3.2Å; Y94-E97 PolarHBondContact O-N 2.8Å; E97-E99 VanDerWaalsContact C-N 3.29Å; E97-E99 PolarHBondContact O-N 2.86Å; E97-E99 VanDerWaalsContact O-N 3.13Å; E97-K100 HydrophobicContact CB-CD 3.96Å; E97-K100 HydrophobicContact CB-CG 4.21Å; E97-K100 WeakPolarHBondContact O-CB 3.47Å; E97-K100 PolarHBondContact O-N 3.34Å; E97-K100 IonicContact OE1-NZ 2.7Å; E97-K100 PolarHBondContact OE1-NZ 2.03Å; E97-K100 WeakPolarHBondContact OE2-CE 3.28Å; E97-K100 IonicContact OE2-NZ 3.21Å; E97-K100 PolarHBondContact OE2-NZ 2.73Å
98P97.4Very high96.7Very high28 Ų2849.6 Ų49.618%0.18228%0.283CS..THydrogen-bonded Turntrans-56.7-35.2-166.5-29.537.5000115.2Y94 K100 A101 K147 V148 A151Y94-P98 WeakPolarHBondContact O-CA 3.42Å; Y94-P98 VanDerWaalsContact O-N 3.09Å; P98-K100 PolarHBondContact O-N 3.39Å; P98-K100 VanDerWaalsContact O-N 3.13Å; P98-A101 WeakPolarHBondContact O-CB 3.41Å; P98-A101 PolarHBondContact O-N 3.07Å; P98-K147 HydrophobicContact CB-CB 4.13Å; P98-K147 WeakPolarHBondContact CB-O 3.31Å; P98-K147 HydrophobicContact CG-CB 3.85Å; P98-V148 HydrophobicContact CB-CG2 4.19Å; P98-V148 HydrophobicContact CG-CG2 4.42Å; P98-A151 HydrophobicContact CB-CB 4.21Å; P98-A151 WeakPolarHBondContact O-CB 3.5Å
99E97.6Very high97Very high104 Ų10447 Ų4749%0.48626%0.256SS..Hα-helixtrans-56.4-30.3176.4-64.4-67.7146.400112.6E97 A101 G102 M103 K154E97-E99 VanDerWaalsContact C-N 3.29Å; E97-E99 PolarHBondContact O-N 2.86Å; E97-E99 VanDerWaalsContact O-N 3.13Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 3.38Å; E99-G102 PolarHBondContact O-N 2.86Å; E99-M103 HydrophobicContact CB-CE 4.15Å; E99-M103 WeakPolarHBondContact O-CE 3.41Å; E99-M103 WeakPolarHBondContact O-CG 3.19Å; E99-M103 PolarHBondContact O-N 3.19Å; E99-K154 IonicContact OE1-NZ 2.79Å; E99-K154 IonicContact OE2-NZ 2.66Å
100K97.9Very high97.2Very high87 Ų8748 Ų4838%0.37826%0.256SS..Hα-helixtrans-67.6-25.7175.2-68.2-176.2178.9171.70112.9Y94 E97 P98 M103 S104Y94-K100 HydrophobicContact CD1-CB 3.53Å; Y94-K100 HydrophobicContact CE1-CB 3.91Å; Y94-K100 HydrophobicContact CG-CB 4.13Å; E97-K100 HydrophobicContact CB-CD 3.96Å; E97-K100 HydrophobicContact CB-CG 4.21Å; E97-K100 WeakPolarHBondContact O-CB 3.47Å; E97-K100 PolarHBondContact O-N 3.34Å; E97-K100 IonicContact OE1-NZ 2.7Å; E97-K100 PolarHBondContact OE1-NZ 2.03Å; E97-K100 WeakPolarHBondContact OE2-CE 3.28Å; E97-K100 IonicContact OE2-NZ 3.21Å; E97-K100 PolarHBondContact OE2-NZ 2.73Å; P98-K100 PolarHBondContact O-N 3.39Å; P98-K100 VanDerWaalsContact O-N 3.13Å; K100-M103 HydrophobicContact CB-CE 4.35Å; K100-M103 HydrophobicContact CG-CE 3.79Å; K100-S104 WeakPolarHBondContact O-CB 3.14Å; K100-S104 PolarHBondContact O-N 3.34Å
101A97.6Very high97.4Very high0 Ų050.6 Ų50.60%027%0.268CS..Hα-helixtrans-61.6-53173.300000110.6I91 Y94 P98 E99 S104 V148 V152I91-A101 HydrophobicContact CB-CB 4.25Å; I91-A101 HydrophobicContact CG2-CB 4.46Å; Y94-A101 VanDerWaalsContact CD2-CA 3.49Å; Y94-A101 HydrophobicContact CD2-CB 3.78Å; Y94-A101 HydrophobicContact CG-CB 4.19Å; P98-A101 WeakPolarHBondContact O-CB 3.41Å; P98-A101 PolarHBondContact O-N 3.07Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 3.38Å; A101-S104 PolarHBondContact O-N 3.39Å; A101-S104 PolarHBondContact O-OG 3.37Å; A101-V148 HydrophobicContact CB-CG1 3.96Å; A101-V152 HydrophobicContact CB-CG2 3.98Å
102G96.3Very high97.4Very high2 Ų250.5 Ų50.52%0.02127%0.268CS..Hα-helixtrans-61.3-47.6176.800000112.4E99 S104 L105E99-G102 PolarHBondContact O-N 2.86Å; G102-S104 VanDerWaalsContact C-N 3.25Å; G102-S104 PolarHBondContact O-N 2.96Å; G102-L105 PolarHBondContact O-N 3.49Å; G102-L105 VanDerWaalsContact O-N 3.12Å
103M97Very high97.4Very high114 Ų11452.5 Ų52.556%0.56227%0.274SS*.Hα-helixtrans-58.1-36.7179.1-73.7-172.8-77.200112.9E99 K100 L105 T106E99-M103 HydrophobicContact CB-CE 4.15Å; E99-M103 WeakPolarHBondContact O-CE 3.41Å; E99-M103 WeakPolarHBondContact O-CG 3.19Å; E99-M103 PolarHBondContact O-N 3.19Å; K100-M103 HydrophobicContact CB-CE 4.35Å; K100-M103 HydrophobicContact CG-CE 3.79Å; M103-L105 PolarHBondContact O-N 2.93Å; M103-L105 VanDerWaalsContact O-N 3.16Å; M103-T106 WeakPolarHBondContact O-CB 3.39Å; M103-T106 PolarHBondContact O-N 3.37Å; M103-T106 VanDerWaalsContact O-N 3.16Å; M103-T106 PolarHBondContact O-OG1 3.27Å
104S97.9Very high97.4Very high24 Ų2456.6 Ų56.617%0.16829%0.289CS..Hα-helixtrans-58.9-28.4-179.676.20000113.2V86 K100 A101 G102 T106V86-S104 WeakPolarHBondContact CG1-O 3.3Å; K100-S104 WeakPolarHBondContact O-CB 3.14Å; K100-S104 PolarHBondContact O-N 3.34Å; A101-S104 PolarHBondContact O-N 3.39Å; A101-S104 PolarHBondContact O-OG 3.37Å; G102-S104 VanDerWaalsContact C-N 3.25Å; G102-S104 PolarHBondContact O-N 2.96Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 3.2Å
105L98.3Very high97.4Very high1 Ų158.3 Ų58.31%0.00530%0.298CS..THydrogen-bonded Turntrans-78.2-17.4-176.4-50.3-179.3000113.1L53 T60 V86 G102 M103 E107 C108 M109 L128 V152 L156L53-L105 HydrophobicContact CD2-CB 4.42Å; L53-L105 HydrophobicContact CD2-CD1 4.12Å; L53-L105 HydrophobicContact CD2-CD2 3.99Å; L53-L105 HydrophobicContact CD2-CG 4.39Å; T60-L105 HydrophobicContact CG2-CD2 3.84Å; V86-L105 HydrophobicContact CG2-CD2 4.15Å; G102-L105 PolarHBondContact O-N 3.49Å; G102-L105 VanDerWaalsContact O-N 3.12Å; M103-L105 PolarHBondContact O-N 2.93Å; M103-L105 VanDerWaalsContact O-N 3.16Å; L105-E107 VanDerWaalsContact C-N 3.34Å; L105-E107 PolarHBondContact O-N 3.37Å; L105-C108 PolarHBondContact O-N 3.31Å; L105-M109 HydrophobicContact CB-CG 4.33Å; L105-M109 WeakPolarHBondContact O-CB 3.44Å; L105-M109 WeakPolarHBondContact O-CG 3.31Å; L105-M109 PolarHBondContact O-N 2.89Å; L105-L128 HydrophobicContact CD1-CD1 4.04Å; L105-V152 HydrophobicContact CD1-CG1 4.03Å; L105-V152 HydrophobicContact CD1-CG2 4.27Å; L105-L156 HydrophobicContact CD1-CD1 4.47Å; L105-L156 HydrophobicContact CD1-CD2 3.96Å; L105-L156 HydrophobicContact CD1-CG 4.18Å
106T97.3Very high97.4Very high39 Ų3956.9 Ų56.924%0.23929%0.286CS..Hα-helixtrans-57.1-42.2-168.1-55.20000113.4M103 S104 M109 R110 F159M103-T106 WeakPolarHBondContact O-CB 3.39Å; M103-T106 PolarHBondContact O-N 3.37Å; M103-T106 VanDerWaalsContact O-N 3.16Å; M103-T106 PolarHBondContact O-OG1 3.27Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 3.2Å; T106-M109 PolarHBondContact O-N 3.45Å; T106-R110 WeakPolarHBondContact O-CG 3.47Å; T106-R110 PolarHBondContact O-N 3.4Å; T106-F159 HydrophobicContact CG2-CZ 4.31Å
107E97.8Very high97.4Very high91 Ų9155 Ų5543%0.42527%0.266SS..Hα-helixtrans-63.6-52.3-177.5-174173-179.200111.1K87 L105 M109 R110 E111K87-E107 WeakPolarHBondContact CD-OE2 2.99Å; K87-E107 WeakPolarHBondContact CE-OE1 3.27Å; K87-E107 VanDerWaalsContact CE-OE2 3.31Å; K87-E107 WeakPolarHBondContact CE-OE2 3.37Å; K87-E107 IonicContact NZ-OE1 3.06Å; K87-E107 PolarHBondContact NZ-OE1 2.98Å; K87-E107 IonicContact NZ-OE2 2.86Å; K87-E107 PolarHBondContact NZ-OE2 3.49Å; L105-E107 VanDerWaalsContact C-N 3.34Å; L105-E107 PolarHBondContact O-N 3.37Å; E107-M109 VanDerWaalsContact C-N 3.32Å; E107-M109 PolarHBondContact O-N 2.66Å; E107-R110 PolarHBondContact O-N 2.88Å; E107-E111 PolarHBondContact O-N 3.24Å; E107-E111 VanDerWaalsContact O-N 3.08Å
108C98.4Very high97.4Very high2 Ų254.7 Ų54.71%0.01428%0.275CS..Hα-helixtrans-66.4-32.9178.4-70.80000112.9L62 C84 V86 L105 E111 A112L62-C108 HydrophobicContact CB-CB 4.04Å; L62-C108 HydrophobicContact CD1-CB 4.13Å; C84-C108 VanDerWaalsContact C-SG 3.55Å; C84-C108 HydrophobicContact CB-CB 3.64Å; C84-C108 WeakPolarHBondContact CB-SG 3.17Å; C84-C108 PolarHBondContact O-SG 3.39Å; C84-C108 WeakPolarHBondContact SG-CA 3.37Å; C84-C108 WeakPolarHBondContact SG-CB 2.96Å; C84-C108 CovalentContact SG-SG 2.04Å; C84-C108 PolarHBondContact SG-SG 3.03Å; V86-C108 HydrophobicContact CG2-CB 4.22Å; L105-C108 PolarHBondContact O-N 3.31Å; C108-E111 WeakPolarHBondContact O-CB 3.44Å; C108-E111 PolarHBondContact O-N 3.35Å; C108-A112 PolarHBondContact O-N 2.67Å
109M98.4Very high97.2Very high0 Ų065 Ų650%031%0.31CS..Hα-helixtrans-68.9-36.2176.4-72.5-57.8-57.200112.3L53 L62 L105 T106 E107 E111 A112 E113 L126 L156 F159 F161L53-M109 HydrophobicContact CD1-SD 4.05Å; L53-M109 HydrophobicContact CD2-SD 4.3Å; L62-M109 HydrophobicContact CD1-CG 4.32Å; L62-M109 HydrophobicContact CD1-SD 3.39Å; L62-M109 WeakPolarHBondContact CD1-SD 3.48Å; L105-M109 HydrophobicContact CB-CG 4.33Å; L105-M109 WeakPolarHBondContact O-CB 3.44Å; L105-M109 WeakPolarHBondContact O-CG 3.31Å; L105-M109 PolarHBondContact O-N 2.89Å; T106-M109 PolarHBondContact O-N 3.45Å; E107-M109 VanDerWaalsContact C-N 3.32Å; E107-M109 PolarHBondContact O-N 2.66Å; M109-E111 VanDerWaalsContact C-N 3.34Å; M109-A112 WeakPolarHBondContact O-CB 3.38Å; M109-A112 PolarHBondContact O-N 3.05Å; M109-E113 PolarHBondContact O-N 3.39Å; M109-E113 VanDerWaalsContact O-N 3.09Å; M109-L126 HydrophobicContact CE-CD1 3.85Å; M109-L126 HydrophobicContact CE-CD2 3.57Å; M109-L126 HydrophobicContact CE-CG 4.38Å; M109-L126 HydrophobicContact SD-CD1 4.08Å; M109-L156 HydrophobicContact CE-CD2 4.15Å; M109-L156 HydrophobicContact CG-CD2 3.91Å; M109-L156 HydrophobicContact SD-CD2 3.72Å; M109-F159 HydrophobicContact CB-CD1 3.64Å; M109-F159 HydrophobicContact CB-CD2 3.93Å; M109-F159 HydrophobicContact CB-CE1 3.31Å; M109-F159 HydrophobicContact CB-CE2 3.6Å; M109-F159 HydrophobicContact CB-CG 3.97Å; M109-F159 HydrophobicContact CB-CZ 3.3Å; M109-F159 HydrophobicContact CE-CB 3.87Å; M109-F159 HydrophobicContact CE-CD1 4.26Å; M109-F159 HydrophobicContact CE-CD2 4.03Å; M109-F159 HydrophobicContact CE-CG 3.78Å; M109-F159 HydrophobicContact CG-CD2 4.15Å; M109-F159 HydrophobicContact CG-CE1 4.47Å; M109-F159 HydrophobicContact CG-CE2 3.95Å; M109-F159 HydrophobicContact CG-CG 4.49Å; M109-F159 HydrophobicContact CG-CZ 4.15Å; M109-F161 HydrophobicContact CE-CD2 3.67Å; M109-F161 HydrophobicContact CE-CE2 3.96Å
110R97.9Very high97.1Very high158 Ų15862.2 Ų62.260%0.59630%0.295SS*.Hα-helixtrans-65.1-38.1170.5-74.3178.6-179.6169.21.6112.1T106 E107 A112 E113 M114 F159T106-R110 WeakPolarHBondContact O-CG 3.47Å; T106-R110 PolarHBondContact O-N 3.4Å; E107-R110 PolarHBondContact O-N 2.88Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 2.84Å; R110-E113 PolarHBondContact O-N 3.16Å; R110-M114 PolarHBondContact O-N 3.16Å; R110-F159 HydrophobicContact CG-CE1 4.17Å
111E97.6Very high97Very high55 Ų5559.1 Ų59.126%0.25728%0.282SS..Hα-helixtrans-59.4-42.9170.3-70.9-176.1-148.700111.4H82 E107 C108 M109 E113 M114 Q115H82-E111 IonicContact CE1-OE2 3.87Å; H82-E111 IonicContact NE2-OE2 2.64Å; H82-E111 PolarHBondContact NE2-OE2 3.12Å; H82-E111 VanDerWaalsContact NE2-OE2 3.08Å; E107-E111 PolarHBondContact O-N 3.24Å; E107-E111 VanDerWaalsContact O-N 3.08Å; C108-E111 WeakPolarHBondContact O-CB 3.44Å; C108-E111 PolarHBondContact O-N 3.35Å; M109-E111 VanDerWaalsContact C-N 3.34Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.11Å; E111-M114 HydrophobicContact CB-CE 4.39Å; E111-M114 HydrophobicContact CG-CE 4.11Å; E111-M114 WeakPolarHBondContact O-CB 3.34Å; E111-M114 PolarHBondContact O-N 3.5Å; E111-M114 VanDerWaalsContact O-N 3.08Å; E111-Q115 VanDerWaalsContact O-CG 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.09Å; E111-Q115 PolarHBondContact O-N 2.99Å
112A98.1Very high97Very high0 Ų067.5 Ų67.50%032%0.321CS..Hα-helixtrans-60.6-40.2177.900000113.1I51 L62 I64 C108 M109 R110 M114 Q115 V116 F161I51-A112 HydrophobicContact CD1-CB 4Å; L62-A112 HydrophobicContact CD1-CB 4.18Å; L62-A112 HydrophobicContact CD2-CB 4.17Å; I64-A112 HydrophobicContact CD1-CB 3.81Å; I64-A112 HydrophobicContact CG1-CB 4.46Å; C108-A112 PolarHBondContact O-N 2.67Å; M109-A112 WeakPolarHBondContact O-CB 3.38Å; M109-A112 PolarHBondContact O-N 3.05Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 2.84Å; A112-M114 PolarHBondContact O-N 2.86Å; A112-Q115 PolarHBondContact O-N 3.42Å; A112-V116 PolarHBondContact O-N 3.29Å; A112-F161 HydrophobicContact CB-CE2 3.96Å; A112-F161 HydrophobicContact CB-CZ 4.05Å
113E97.4Very high96.8Very high68 Ų6871.4 Ų71.432%0.31834%0.339SS..Hα-helixtrans-58.6-35.5174.4-71.6-175.5-178.200112.8M109 R110 E111 H121 F159 P160 F161M109-E113 PolarHBondContact O-N 3.39Å; M109-E113 VanDerWaalsContact O-N 3.09Å; R110-E113 PolarHBondContact O-N 3.16Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.11Å; E113-H121 PolarHBondContact O-CE1 2.78Å; E113-H121 PolarHBondContact O-NE2 3.16Å; E113-H121 VanDerWaalsContact O-NE2 3.13Å; E113-F159 HydrophobicContact CG-CD1 4.22Å; E113-F159 WeakPolarHBondContact OE1-CD1 2.99Å; E113-P160 HydrophobicContact CG-CG 3.96Å; E113-P160 WeakPolarHBondContact OE1-CD 3.17Å; E113-F161 HydrophobicContact CG-CE2 3.98Å; E113-F161 HydrophobicContact CG-CZ 4.16Å
114M96.8Very high96.8Very high141 Ų14166 Ų6670%0.69531%0.312SS*.Hα-helixtrans-75.9-33177.8-64-174-69.500112.6R110 E111 A112R110-M114 PolarHBondContact O-N 3.16Å; E111-M114 HydrophobicContact CB-CE 4.39Å; E111-M114 HydrophobicContact CG-CE 4.11Å; E111-M114 WeakPolarHBondContact O-CB 3.34Å; E111-M114 PolarHBondContact O-N 3.5Å; E111-M114 VanDerWaalsContact O-N 3.08Å; A112-M114 PolarHBondContact O-N 2.86Å
115Q97.1Very high96.7Very high76 Ų7665.3 Ų65.336%0.35531%0.308SS..Hα-helixtrans-83.5-29.8-176.3-65.2-59.9-25.100113.5I64 H82 E111 A112I64-Q115 HydrophobicContact CD1-CB 3.57Å; I64-Q115 HydrophobicContact CD1-CG 4.09Å; H82-Q115 HydrophobicContact CB-CG 4.27Å; E111-Q115 VanDerWaalsContact O-CG 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.09Å; E111-Q115 PolarHBondContact O-N 2.99Å; A112-Q115 PolarHBondContact O-N 3.42Å
116V96.9Very high96.7Very high3 Ų365.3 Ų65.32%0.01831%0.307CS..SBendtrans-92.5131.2177.6-177.10000109.7Y49 I51 I64 A112 S118 R120 H121 T124 F161Y49-V116 HydrophobicContact CD1-CG1 4.46Å; Y49-V116 HydrophobicContact CD1-CG2 4.44Å; Y49-V116 HydrophobicContact CD2-CG1 4.07Å; Y49-V116 HydrophobicContact CG-CG1 3.93Å; I51-V116 HydrophobicContact CD1-CG2 4.36Å; I64-V116 HydrophobicContact CD1-CG2 4.49Å; I64-V116 HydrophobicContact CG2-CG2 3.9Å; A112-V116 PolarHBondContact O-N 3.29Å; V116-S118 PolarHBondContact O-N 3.27Å; V116-R120 HydrophobicContact CG1-CB 4.17Å; V116-H121 PolarHBondContact O-CD2 3.12Å; V116-H121 PolarHBondContact O-NE2 3.18Å; V116-T124 HydrophobicContact CG1-CG2 4.48Å; V116-F161 HydrophobicContact CB-CE1 3.94Å; V116-F161 HydrophobicContact CB-CZ 4.37Å; V116-F161 HydrophobicContact CG1-CE1 4.15Å; V116-F161 HydrophobicContact CG2-CE1 4.08Å; V116-F161 HydrophobicContact CG2-CZ 4.36Å
117P95.7Very high96.8Very high58 Ų5864.6 Ų64.638%0.37730%0.301SS..  trans-58.5135.6177.1-24.433.9000112.6Y49 R119 R120 H121Y49-P117 HydrophobicContact CE2-CG 4.05Å; P117-R119 PolarHBondContact O-N 3.16Å; P117-R119 VanDerWaalsContact O-N 3.08Å; P117-R120 HydrophobicContact CB-CG 4.34Å; P117-R120 WeakPolarHBondContact O-CA 3.33Å; P117-R120 WeakPolarHBondContact O-CB 3.4Å; P117-R120 PolarHBondContact O-N 3.15Å; P117-H121 PolarHBondContact O-CD2 3.01Å; P117-H121 PolarHBondContact O-N 3.33Å
118S95.9Very high96.8Very high97 Ų9760.4 Ų60.468%0.67828%0.281SS*.G310 helixtrans-56.8-32.6-174.3-45.70000114.5V116 R120 H121V116-S118 PolarHBondContact O-N 3.27Å; S118-R120 PolarHBondContact O-N 3.46Å; S118-H121 PolarHBondContact O-N 3.25Å
119R94.3Very high96.8Very high246 Ų24660.4 Ų60.493%0.92828%0.281SS*.G310 helixtrans-66.2-18.4175.9-64.7-177-178174.40.6113.5P117P117-R119 PolarHBondContact O-N 3.16Å; P117-R119 VanDerWaalsContact O-N 3.08Å
120R94.6Very high96.7Very high45 Ų4560.4 Ų60.417%0.1728%0.281CS..G310 helixtrans-102-8-178.2-63.7-73.8-172.6-1744.3112.6Y47 Y49 V116 P117 S118 Q122 E123 T124Y47-R120 PolarHBondContact O-NE 3.46Å; Y47-R120 VanDerWaalsContact O-NE 3.08Å; Y47-R120 PolarHBondContact O-NH2 3Å; Y49-R120 HydrophobicContact CD2-CB 3.92Å; Y49-R120 HydrophobicContact CD2-CG 4.05Å; Y49-R120 HydrophobicContact CE2-CB 4.32Å; Y49-R120 HydrophobicContact CE2-CG 4.03Å; V116-R120 HydrophobicContact CG1-CB 4.17Å; P117-R120 HydrophobicContact CB-CG 4.34Å; P117-R120 WeakPolarHBondContact O-CA 3.33Å; P117-R120 WeakPolarHBondContact O-CB 3.4Å; P117-R120 PolarHBondContact O-N 3.15Å; S118-R120 PolarHBondContact O-N 3.46Å; R120-Q122 PolarHBondContact O-N 2.87Å; R120-E123 HydrophobicContact CB-CG 4.45Å; R120-E123 WeakPolarHBondContact CD-OE1 3.29Å; R120-E123 IonicContact CZ-OE1 3.94Å; R120-E123 IonicContact NE-OE1 2.85Å; R120-E123 IonicContact NH1-OE1 3.82Å; R120-E123 PolarHBondContact NH1-OE1 3.01Å; R120-E123 IonicContact NH1-OE2 2.76Å; R120-E123 PolarHBondContact NH1-OE2 2.86Å; R120-E123 WeakPolarHBondContact O-CG 3.17Å; R120-E123 PolarHBondContact O-N 3.03Å; R120-T124 WeakPolarHBondContact O-CB 3.5Å; R120-T124 PolarHBondContact O-N 3.34Å; R120-T124 PolarHBondContact O-OG1 3.36Å
121H96.8Very high96.7Very high21 Ų2153.2 Ų53.210%0.09726%0.255CS..G310 helixtrans-54.7-56.2-175.2-71.3178.1000112.3E113 V116 P117 S118 E123 T124 P160 F161E113-H121 PolarHBondContact O-CE1 2.78Å; E113-H121 PolarHBondContact O-NE2 3.16Å; E113-H121 VanDerWaalsContact O-NE2 3.13Å; V116-H121 PolarHBondContact O-CD2 3.12Å; V116-H121 PolarHBondContact O-NE2 3.18Å; P117-H121 PolarHBondContact O-CD2 3.01Å; P117-H121 PolarHBondContact O-N 3.33Å; S118-H121 PolarHBondContact O-N 3.25Å; H121-E123 PolarHBondContact O-N 3.27Å; H121-E123 VanDerWaalsContact O-N 3.11Å; H121-T124 WeakPolarHBondContact O-CB 3.46Å; H121-T124 PolarHBondContact O-N 3Å; H121-P160 CarbonylContact C-O 3.03Å; H121-P160 HydrophobicContact CB-CB 4.06Å; H121-P160 HydrophobicContact CB-CG 4.2Å; H121-P160 WeakPolarHBondContact CB-O 3.47Å; H121-F161 HydrophobicContact CB-CD1 4.33Å; H121-F161 HydrophobicContact CB-CE1 4.36Å; H121-F161 AromaticContact CD2-CE1 3.67Å; H121-F161 WeakPolarHBondContact O-CA 3.32Å
122Q96.1Very high96.7Very high176 Ų17650.7 Ų50.782%0.82224%0.243SC*.G310 helixtrans-63.4-22-174.7-67.7-176.5-9.600114.8R120 P160 S162R120-Q122 PolarHBondContact O-N 2.87Å; Q122-P160 PolarHBondContact N-O 2.78Å; Q122-S162 WeakPolarHBondContact O-CB 3.46Å
123E93.4Very high96.7Very high84 Ų8450.9 Ų50.939%0.39325%0.245SC..G310 helixtrans-99.3-10.2177.461168.2-131.500113.3R120 H121 P125R120-E123 HydrophobicContact CB-CG 4.45Å; R120-E123 WeakPolarHBondContact CD-OE1 3.29Å; R120-E123 IonicContact CZ-OE1 3.94Å; R120-E123 IonicContact NE-OE1 2.85Å; R120-E123 IonicContact NH1-OE1 3.82Å; R120-E123 PolarHBondContact NH1-OE1 3.01Å; R120-E123 IonicContact NH1-OE2 2.76Å; R120-E123 PolarHBondContact NH1-OE2 2.86Å; R120-E123 WeakPolarHBondContact O-CG 3.17Å; R120-E123 PolarHBondContact O-N 3.03Å; H121-E123 PolarHBondContact O-N 3.27Å; H121-E123 VanDerWaalsContact O-N 3.11Å; E123-P125 VanDerWaalsContact O-CD 3.26Å; E123-P125 WeakPolarHBondContact O-CD 3.42Å
124T96.2Very high96.7Very high1 Ų147.7 Ų47.71%0.00623%0.231CC..SBendtrans-77112.8179.3-63.30000108.4I51 V116 R120 H121 F161 S162I51-T124 HydrophobicContact CD1-CG2 3.91Å; I51-T124 HydrophobicContact CG1-CG2 3.88Å; V116-T124 HydrophobicContact CG1-CG2 4.48Å; R120-T124 WeakPolarHBondContact O-CB 3.5Å; R120-T124 PolarHBondContact O-N 3.34Å; R120-T124 PolarHBondContact O-OG1 3.36Å; H121-T124 WeakPolarHBondContact O-CB 3.46Å; H121-T124 PolarHBondContact O-N 3Å; T124-F161 HydrophobicContact CG2-CD1 4.01Å; T124-F161 HydrophobicContact CG2-CE1 4.39Å; T124-S162 WeakPolarHBondContact O-CB 3.43Å; T124-S162 PolarHBondContact O-N 3.26Å
125P97Very high96.8Very high10 Ų1042.5 Ų42.57%0.06520%0.203CC..EExtended strand (participates in β ladder)trans-73.9138.6-179.834.9-36.2000110.6Y49 I51 E123 Y127 S162 Q164 I449Y49-P125 WeakPolarHBondContact O-CD 3.49Å; I51-P125 PolarHBondContact N-O 3.48Å; E123-P125 VanDerWaalsContact O-CD 3.26Å; E123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-Y127 HydrophobicContact CB-CD2 4.37Å; P125-Y127 HydrophobicContact CB-CE2 3.55Å; P125-Y127 HydrophobicContact CG-CE2 4.01Å; P125-S162 CarbonylContact C-O 3.27Å; P125-S162 WeakPolarHBondContact CA-O 3.2Å; P125-Q164 HydrophobicContact CB-CG 3.72Å; P125-I449 HydrophobicContact CG-CD1 4.37Å
126L97.9Very high96.8Very high0 Ų039.3 Ų39.30%019%0.189CC..EExtended strand (participates in β ladder)trans-120.1118-177.2170.564.9000109.3I51 L53 M109 L156 F161 S162 Y163 Q164I51-L126 HydrophobicContact CB-CD1 3.82Å; I51-L126 HydrophobicContact CG2-CD1 3.52Å; L53-L126 HydrophobicContact CD1-CD1 3.4Å; L53-L126 VanDerWaalsContact CD1-CD1 3.4Å; M109-L126 HydrophobicContact CE-CD1 3.85Å; M109-L126 HydrophobicContact CE-CD2 3.57Å; M109-L126 HydrophobicContact CE-CG 4.38Å; M109-L126 HydrophobicContact SD-CD1 4.08Å; L126-L156 HydrophobicContact CD2-CB 4.08Å; L126-L156 HydrophobicContact CD2-CD2 4.24Å; L126-F161 HydrophobicContact CB-CB 3.89Å; L126-F161 HydrophobicContact CD2-CB 4.08Å; L126-F161 HydrophobicContact CD2-CD2 4.47Å; L126-S162 PolarHBondContact N-O 3.08Å; L126-Y163 HydrophobicContact CD2-CD2 4.46Å; L126-Q164 PolarHBondContact O-N 3.25Å
127Y97.8Very high96.9Very high25 Ų2539.8 Ų39.810%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-121.4148.9179.5-60.3-91.2000111.2I51 V52 L53 P125 Q164 Y441 M442 L445I51-Y127 PolarHBondContact O-N 3.08Å; V52-Y127 WeakPolarHBondContact CA-O 3.38Å; L53-Y127 WeakPolarHBondContact CD1-O 3.15Å; L53-Y127 PolarHBondContact N-O 3.31Å; P125-Y127 HydrophobicContact CB-CD2 4.37Å; P125-Y127 HydrophobicContact CB-CE2 3.55Å; P125-Y127 HydrophobicContact CG-CE2 4.01Å; Y127-Q164 HydrophobicContact CD1-CB 3.51Å; Y127-Q164 HydrophobicContact CD1-CG 4.41Å; Y127-Q164 HydrophobicContact CD2-CB 4.46Å; Y127-Q164 HydrophobicContact CE1-CB 3.09Å; Y127-Q164 HydrophobicContact CE1-CG 3.75Å; Y127-Q164 HydrophobicContact CE2-CB 4.14Å; Y127-Q164 HydrophobicContact CE2-CG 4.02Å; Y127-Q164 HydrophobicContact CG-CB 4.17Å; Y127-Q164 VanDerWaalsContact CZ-CB 3.44Å; Y127-Q164 VanDerWaalsContact CZ-CG 3.49Å; Y127-Q164 WeakPolarHBondContact OH-CG 3.31Å; Y127-Y441 HydrophobicContact CD1-CE1 4.01Å; Y127-Y441 HydrophobicContact CD2-CE1 4.43Å; Y127-Y441 AromaticContact CG-CE1 3.88Å; Y127-Y441 HydrophobicContact CG-CE1 3.88Å; Y127-M442 HydrophobicContact CD2-CE 4.29Å; Y127-M442 HydrophobicContact CE2-CE 4.49Å; Y127-L445 HydrophobicContact CD1-CD1 4.21Å; Y127-L445 HydrophobicContact CD2-CD1 3.82Å; Y127-L445 HydrophobicContact CE1-CD1 3.83Å; Y127-L445 HydrophobicContact CE1-CD2 4.37Å; Y127-L445 HydrophobicContact CE2-CD1 3.4Å; Y127-L445 VanDerWaalsContact CE2-CD1 3.4Å; Y127-L445 HydrophobicContact CG-CD1 4.21Å; Y127-L445 VanDerWaalsContact CZ-CD1 3.44Å
128L98.3Very high97Very high3 Ų339.6 Ų39.62%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-122.7124161.9-177145.6000109.9L53 A55 I91 L105 A130 F149 V152 L156 G165 A166 R167L53-L128 HydrophobicContact CB-CB 4.1Å; L53-L128 HydrophobicContact CB-CD1 3.83Å; L53-L128 HydrophobicContact CB-CG 3.94Å; L53-L128 HydrophobicContact CD2-CD1 4.27Å; L53-L128 WeakPolarHBondContact O-CA 3.33Å; A55-L128 HydrophobicContact CB-CD1 4.29Å; A55-L128 HydrophobicContact CB-CD2 3.85Å; A55-L128 HydrophobicContact CB-CG 4.12Å; I91-L128 HydrophobicContact CD1-CD2 4.09Å; L105-L128 HydrophobicContact CD1-CD1 4.04Å; L128-A130 HydrophobicContact CD2-CB 4.37Å; L128-F149 HydrophobicContact CD2-CE1 4.04Å; L128-V152 HydrophobicContact CD1-CG1 3.63Å; L128-V152 HydrophobicContact CD2-CG1 4.37Å; L128-V152 HydrophobicContact CG-CG1 4.45Å; L128-L156 HydrophobicContact CB-CD1 4Å; L128-L156 HydrophobicContact CD1-CD1 4.19Å; L128-G165 PolarHBondContact N-O 3.47Å; L128-G165 VanDerWaalsContact N-O 3.13Å; L128-A166 HydrophobicContact CB-CB 3.97Å; L128-A166 HydrophobicContact CD2-CB 4Å; L128-A166 VanDerWaalsContact O-CA 3.3Å; L128-A166 WeakPolarHBondContact O-CA 3.23Å; L128-R167 PolarHBondContact O-N 3.48Å
129G98.1Very high97Very high1 Ų140.2 Ų40.21%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-111.7121.5171.300000109.8L53 A55 L169 W437L53-G129 PolarHBondContact O-N 2.04Å; A55-G129 PolarHBondContact N-O 2.85Å; G129-L169 VanDerWaalsContact CA-CD1 3.43Å; G129-W437 WeakPolarHBondContact O-CZ2 3.33Å
130A97.9Very high97Very high0 Ų033.2 Ų33.20%016%0.159CC..EExtended strand (participates in β ladder)trans-100.1142.4173.700000111.2A55 I91 L128 M134 F149 R167 I168 L169A55-A130 HydrophobicContact CB-CB 3.87Å; A55-A130 WeakPolarHBondContact O-CA 3.32Å; I91-A130 HydrophobicContact CD1-CB 4.14Å; L128-A130 HydrophobicContact CD2-CB 4.37Å; A130-M134 HydrophobicContact CB-CB 3.69Å; A130-M134 HydrophobicContact CB-CG 3.45Å; A130-M134 VanDerWaalsContact CB-CG 3.45Å; A130-F149 HydrophobicContact CB-CE1 4.28Å; A130-F149 HydrophobicContact CB-CZ 3.84Å; A130-R167 PolarHBondContact N-O 2.99Å; A130-I168 CarbonylContact O-C 3.55Å; A130-I168 WeakPolarHBondContact O-CA 3.37Å; A130-L169 PolarHBondContact O-N 3.48Å
131T97.8Very high97.1Very high8 Ų834.7 Ų34.75%0.04917%0.17CC..  trans-107.8-143.4-173.660.50000111.7A55 G56 G133 M134 R135 E174 W437A55-T131 PolarHBondContact O-N 3.13Å; G56-T131 WeakPolarHBondContact CA-OG1 3.49Å; T131-G133 PolarHBondContact O-N 2.78Å; T131-G133 VanDerWaalsContact O-N 3.11Å; T131-M134 PolarHBondContact O-N 3.42Å; T131-R135 PolarHBondContact O-N 2.91Å; T131-R135 VanDerWaalsContact O-N 3.12Å; T131-E174 VanDerWaalsContact CB-OE2 3.28Å; T131-E174 WeakPolarHBondContact CB-OE2 3.37Å; T131-E174 HydrophobicContact CG2-CG 3.96Å; T131-E174 WeakPolarHBondContact CG2-OE2 3.32Å; T131-W437 HydrophobicContact CG2-CZ2 4.36Å
132A97.5Very high97.1Very high1 Ų141.9 Ų41.91%0.00820%0.197CC..Hα-helixtrans-57.2-28.2-172.400000115.3R135 L136 A204 S205 L242A132-R135 PolarHBondContact O-N 3.49Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 2.79Å; A132-A204 HydrophobicContact CB-CB 3.54Å; A132-S205 VanDerWaalsContact CB-OG 3.25Å; A132-S205 WeakPolarHBondContact CB-OG 3.4Å; A132-L242 HydrophobicContact CB-CD1 3.66Å
133G97.3Very high97.2Very high5 Ų539.1 Ų39.15%0.05218%0.184CC..Hα-helixtrans-60.8-46.1177.300000112.6S92 T131 L137S92-G133 WeakPolarHBondContact CB-O 3.17Å; T131-G133 PolarHBondContact O-N 2.78Å; T131-G133 VanDerWaalsContact O-N 3.11Å; G133-L137 PolarHBondContact O-N 3.44Å; G133-L137 VanDerWaalsContact O-N 3.12Å
134M98.3Very high97.4Very high1 Ų135.6 Ų35.61%0.00517%0.169CC..Hα-helixtrans-76.3-29.6175.2-71.6-58.5-71.200112.2I91 S92 A130 T131 L136 L137 N138 S145 V148 F149 I168I91-M134 HydrophobicContact CD1-CG 3.9Å; I91-M134 HydrophobicContact CD1-SD 4.15Å; I91-M134 HydrophobicContact CG1-CG 3.83Å; I91-M134 HydrophobicContact CG1-SD 3.83Å; S92-M134 VanDerWaalsContact CA-SD 3.54Å; S92-M134 VanDerWaalsContact CB-SD 3.52Å; A130-M134 HydrophobicContact CB-CB 3.69Å; A130-M134 HydrophobicContact CB-CG 3.45Å; A130-M134 VanDerWaalsContact CB-CG 3.45Å; T131-M134 PolarHBondContact O-N 3.42Å; M134-L136 VanDerWaalsContact C-N 3.31Å; M134-L136 PolarHBondContact O-N 3.1Å; M134-L137 HydrophobicContact CE-CD2 4.04Å; M134-L137 PolarHBondContact O-N 3.2Å; M134-L137 HydrophobicContact SD-CB 4.5Å; M134-L137 HydrophobicContact SD-CD2 3.85Å; M134-N138 WeakPolarHBondContact O-CB 3.37Å; M134-N138 PolarHBondContact O-N 3.08Å; M134-S145 WeakPolarHBondContact CE-OG 3.44Å; M134-V148 HydrophobicContact CE-CB 4.03Å; M134-V148 HydrophobicContact CE-CG1 3.83Å; M134-V148 HydrophobicContact SD-CG1 4.12Å; M134-F149 HydrophobicContact CB-CE2 4.49Å; M134-F149 HydrophobicContact CB-CZ 4.45Å; M134-F149 HydrophobicContact CE-CD2 3.71Å; M134-F149 HydrophobicContact CE-CE2 3.33Å; M134-F149 HydrophobicContact CE-CZ 3.96Å; M134-F149 HydrophobicContact CG-CE2 4.47Å; M134-F149 HydrophobicContact CG-CZ 4.29Å; M134-I168 HydrophobicContact CB-CD1 4.16Å; M134-I168 HydrophobicContact CB-CG1 4.04Å
135R98.5Very high97.5Very high31 Ų3135.6 Ų35.612%0.11717%0.169CC..Hα-helixtrans-57.9-45.1170-68.1-174.9-90.4153.4-3.5111.3T131 A132 N138 I139 I168 E174 S205 S240 L242T131-R135 PolarHBondContact O-N 2.91Å; T131-R135 VanDerWaalsContact O-N 3.12Å; A132-R135 PolarHBondContact O-N 3.49Å; R135-N138 PolarHBondContact O-N 2.88Å; R135-I139 WeakPolarHBondContact O-CD1 3.25Å; R135-I139 VanDerWaalsContact O-CG1 3.29Å; R135-I139 WeakPolarHBondContact O-CG1 3.35Å; R135-I139 PolarHBondContact O-N 3.13Å; R135-I139 VanDerWaalsContact O-N 3.12Å; R135-I168 HydrophobicContact CB-CG2 4.48Å; R135-I168 HydrophobicContact CG-CG2 3.4Å; R135-E174 IonicContact CZ-OE2 3.14Å; R135-E174 IonicContact NH2-OE2 3.09Å; R135-E174 PolarHBondContact NH2-OE2 3.1Å; R135-S205 PolarHBondContact NH2-OG 3.1Å; R135-S205 VanDerWaalsContact NH2-OG 3.08Å; R135-S240 PolarHBondContact NH1-OG 3.37Å; R135-S240 PolarHBondContact NH2-OG 3.13Å; R135-L242 HydrophobicContact CB-CD1 4.27Å
136L97.6Very high97.6Very high10 Ų1038.4 Ų38.45%0.05218%0.184CC..Hα-helixtrans-64.6-47.6176.3-69.6176.2000111.9A132 M134 N138 I139 E140 A204 L242 Q248 P287A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 2.79Å; M134-L136 VanDerWaalsContact C-N 3.31Å; M134-L136 PolarHBondContact O-N 3.1Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 3.1Å; L136-I139 PolarHBondContact O-N 3.16Å; L136-E140 WeakPolarHBondContact O-CB 3.33Å; L136-E140 PolarHBondContact O-N 2.99Å; L136-A204 HydrophobicContact CD1-CB 3.8Å; L136-L242 HydrophobicContact CD2-CD1 4.12Å; L136-L242 HydrophobicContact CD2-CD2 4.08Å; L136-L242 HydrophobicContact CD2-CG 4.04Å; L136-L242 HydrophobicContact CG-CD1 4.17Å; L136-Q248 HydrophobicContact CD1-CG 4.05Å; L136-P287 HydrophobicContact CD2-CB 4.34Å
137L97.4Very high97.6Very high12 Ų1242.7 Ų42.76%0.06320%0.202CC..Hα-helixtrans-59.9-41.1177.4179.160.7000111.7A95 G133 M134 I139 E140 N141 A144 V148A95-L137 HydrophobicContact CB-CD1 3.64Å; A95-L137 HydrophobicContact CB-CD2 3.92Å; A95-L137 HydrophobicContact CB-CG 4.46Å; G133-L137 PolarHBondContact O-N 3.44Å; G133-L137 VanDerWaalsContact O-N 3.12Å; M134-L137 HydrophobicContact CE-CD2 4.04Å; M134-L137 PolarHBondContact O-N 3.2Å; M134-L137 HydrophobicContact SD-CB 4.5Å; M134-L137 HydrophobicContact SD-CD2 3.85Å; L137-I139 VanDerWaalsContact C-N 3.32Å; L137-I139 PolarHBondContact O-N 3.37Å; L137-E140 PolarHBondContact O-N 3.21Å; L137-N141 CarbonylContact O-C 3.44Å; L137-N141 VanDerWaalsContact O-C 3.27Å; L137-N141 PolarHBondContact O-N 3.12Å; L137-N141 VanDerWaalsContact O-O 3.12Å; L137-A144 HydrophobicContact CD1-CB 4.22Å; L137-V148 HydrophobicContact CD2-CG2 4.32Å
138N97.6Very high97.6Very high55 Ų5541.5 Ų41.529%0.29420%0.198SC..Hα-helixtrans-65.9-33.4178.8-176.270000112.9M134 R135 L136 R142 I168M134-N138 WeakPolarHBondContact O-CB 3.37Å; M134-N138 PolarHBondContact O-N 3.08Å; R135-N138 PolarHBondContact O-N 2.88Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 3.1Å; N138-R142 PolarHBondContact O-N 2.83Å; N138-I168 HydrophobicContact CB-CD1 3.83Å
139I95.9Very high97.6Very high109 Ų10942.6 Ų42.656%0.55920%0.202SC*.Hα-helixtrans-68.7-42.3172.5-70163.4000110.6R135 L136 L137 L242 P287R135-I139 WeakPolarHBondContact O-CD1 3.25Å; R135-I139 VanDerWaalsContact O-CG1 3.29Å; R135-I139 WeakPolarHBondContact O-CG1 3.35Å; R135-I139 PolarHBondContact O-N 3.13Å; R135-I139 VanDerWaalsContact O-N 3.12Å; L136-I139 PolarHBondContact O-N 3.16Å; L137-I139 VanDerWaalsContact C-N 3.32Å; L137-I139 PolarHBondContact O-N 3.37Å; I139-L242 HydrophobicContact CD1-CD2 3.74Å; I139-P287 HydrophobicContact CG2-CB 4.34Å
140E94.7Very high97.6Very high99 Ų9948.7 Ų48.746%0.46323%0.23SC..Hα-helixtrans-72.5-49.8-177.2-173.8164.6-155.900112.9L136 L137 P287L136-E140 WeakPolarHBondContact O-CB 3.33Å; L136-E140 PolarHBondContact O-N 2.99Å; L137-E140 PolarHBondContact O-N 3.21Å; E140-P287 HydrophobicContact CB-CG 3.75Å; E140-P287 HydrophobicContact CG-CG 4.33Å
141N96.3Very high97.7Very high76 Ų7648.9 Ų48.941%0.40623%0.232SC..  trans-154.292.3-175.6-172.7-22.5000110L137 E143 A144 S145L137-N141 CarbonylContact O-C 3.44Å; L137-N141 VanDerWaalsContact O-C 3.27Å; L137-N141 PolarHBondContact O-N 3.12Å; L137-N141 VanDerWaalsContact O-O 3.12Å; N141-E143 VanDerWaalsContact C-N 3.31Å; N141-E143 PolarHBondContact O-N 2.65Å; N141-E143 PolarHBondContact OD1-N 3.42Å; N141-A144 HydrophobicContact CB-CB 3.98Å; N141-A144 PolarHBondContact O-N 3.46Å; N141-A144 PolarHBondContact OD1-N 2.91Å; N141-S145 PolarHBondContact O-N 3.44Å
142R97.3Very high97.7Very high172 Ų17248.5 Ų48.565%0.64923%0.23SC*.Hα-helixtrans-57.3-40.9177.9-178.1168.2-177.9172.41.8113.1N138 A144 S145 D146N138-R142 PolarHBondContact O-N 2.83Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-A144 PolarHBondContact O-N 3.14Å; R142-S145 WeakPolarHBondContact O-CB 3.21Å; R142-S145 PolarHBondContact O-N 3.47Å; R142-S145 VanDerWaalsContact O-N 3.17Å; R142-D146 VanDerWaalsContact O-CG 3.26Å; R142-D146 PolarHBondContact O-N 3.35Å
143E98.1Very high97.7Very high118 Ų11852.2 Ų52.255%0.55125%0.247SC*.Hα-helixtrans-63.3-40.7179.3-171.1-170.215700111.8N141 D146 K147N141-E143 VanDerWaalsContact C-N 3.31Å; N141-E143 PolarHBondContact O-N 2.65Å; N141-E143 PolarHBondContact OD1-N 3.42Å; E143-D146 PolarHBondContact O-N 2.78Å; E143-K147 WeakPolarHBondContact O-CG 3.33Å; E143-K147 PolarHBondContact O-N 3.28Å; E143-K147 VanDerWaalsContact OE1-CE 3.27Å; E143-K147 WeakPolarHBondContact OE1-CE 3.49Å; E143-K147 IonicContact OE1-NZ 3.42Å; E143-K147 PolarHBondContact OE1-NZ 3.16Å
144A97.9Very high97.8Very high11 Ų1158.5 Ų58.59%0.09127%0.273CS..Hα-helixtrans-66.8-38.4174.900000111.9A95 L137 N141 R142 V148A95-A144 HydrophobicContact CB-CB 4.25Å; L137-A144 HydrophobicContact CD1-CB 4.22Å; N141-A144 HydrophobicContact CB-CB 3.98Å; N141-A144 PolarHBondContact O-N 3.46Å; N141-A144 PolarHBondContact OD1-N 2.91Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-A144 PolarHBondContact O-N 3.14Å; A144-V148 WeakPolarHBondContact O-CG2 3.49Å; A144-V148 PolarHBondContact O-N 3.42Å; A144-V148 VanDerWaalsContact O-N 3.08Å
145S98.2Very high97.7Very high1 Ų159.6 Ų59.61%0.00728%0.282CS..Hα-helixtrans-58.9-47.9172.5177.60000111.5M134 N141 R142 V148 F149M134-S145 WeakPolarHBondContact CE-OG 3.44Å; N141-S145 PolarHBondContact O-N 3.44Å; R142-S145 WeakPolarHBondContact O-CB 3.21Å; R142-S145 PolarHBondContact O-N 3.47Å; R142-S145 VanDerWaalsContact O-N 3.17Å; S145-V148 PolarHBondContact O-N 3.06Å; S145-F149 WeakPolarHBondContact O-CD2 3.32Å; S145-F149 PolarHBondContact O-N 3.22Å; S145-F149 VanDerWaalsContact O-N 3.12Å
146D98.3Very high97.7Very high69 Ų6958.1 Ų58.137%0.36928%0.277SS..Hα-helixtrans-62.1-45.4-179.9-66.4-20000111R142 E143 V148 F149 E150R142-D146 VanDerWaalsContact O-CG 3.26Å; R142-D146 PolarHBondContact O-N 3.35Å; E143-D146 PolarHBondContact O-N 2.78Å; D146-V148 VanDerWaalsContact C-N 3.31Å; D146-V148 PolarHBondContact O-N 3.45Å; D146-F149 PolarHBondContact O-N 3.28Å; D146-E150 WeakPolarHBondContact O-CG 3.43Å; D146-E150 PolarHBondContact O-N 3.14Å
147K98.6Very high97.7Very high90 Ų9063 Ų6339%0.39130%0.299SS..Hα-helixtrans-60.6-36.1175.5-72.6175.8-175.71680113.6P98 E143 A151P98-K147 HydrophobicContact CB-CB 4.13Å; P98-K147 WeakPolarHBondContact CB-O 3.31Å; P98-K147 HydrophobicContact CG-CB 3.85Å; E143-K147 WeakPolarHBondContact O-CG 3.33Å; E143-K147 PolarHBondContact O-N 3.28Å; E143-K147 VanDerWaalsContact OE1-CE 3.27Å; E143-K147 WeakPolarHBondContact OE1-CE 3.49Å; E143-K147 IonicContact OE1-NZ 3.42Å; E143-K147 PolarHBondContact OE1-NZ 3.16Å; K147-A151 PolarHBondContact O-N 3.14Å; K147-A151 VanDerWaalsContact O-N 3.1Å
148V98.6Very high97.7Very high0 Ų065.6 Ų65.60%033%0.329CS..Hα-helixtrans-64.5-42.5174.31670000110.5I91 P98 A101 M134 L137 A144 S145 D146 A151 V152I91-V148 HydrophobicContact CB-CG1 4.11Å; I91-V148 HydrophobicContact CD1-CG1 4.24Å; I91-V148 HydrophobicContact CG1-CG1 4.24Å; P98-V148 HydrophobicContact CB-CG2 4.19Å; P98-V148 HydrophobicContact CG-CG2 4.42Å; A101-V148 HydrophobicContact CB-CG1 3.96Å; M134-V148 HydrophobicContact CE-CB 4.03Å; M134-V148 HydrophobicContact CE-CG1 3.83Å; M134-V148 HydrophobicContact SD-CG1 4.12Å; L137-V148 HydrophobicContact CD2-CG2 4.32Å; A144-V148 WeakPolarHBondContact O-CG2 3.49Å; A144-V148 PolarHBondContact O-N 3.42Å; A144-V148 VanDerWaalsContact O-N 3.08Å; S145-V148 PolarHBondContact O-N 3.06Å; D146-V148 VanDerWaalsContact C-N 3.31Å; D146-V148 PolarHBondContact O-N 3.45Å; V148-A151 PolarHBondContact O-N 3.35Å; V148-V152 WeakPolarHBondContact O-CB 3.03Å; V148-V152 VanDerWaalsContact O-CG2 3.29Å; V148-V152 WeakPolarHBondContact O-CG2 3.3Å; V148-V152 PolarHBondContact O-N 3.07Å
149F98.5Very high97.7Very high25 Ų2564.3 Ų64.311%0.1132%0.321CS..Hα-helixtrans-67.2-39.9176.2-81.5-66.7000112.9L128 A130 M134 S145 D146 A151 V152 E153 A166 I168L128-F149 HydrophobicContact CD2-CE1 4.04Å; A130-F149 HydrophobicContact CB-CE1 4.28Å; A130-F149 HydrophobicContact CB-CZ 3.84Å; M134-F149 HydrophobicContact CB-CE2 4.49Å; M134-F149 HydrophobicContact CB-CZ 4.45Å; M134-F149 HydrophobicContact CE-CD2 3.71Å; M134-F149 HydrophobicContact CE-CE2 3.33Å; M134-F149 HydrophobicContact CE-CZ 3.96Å; M134-F149 HydrophobicContact CG-CE2 4.47Å; M134-F149 HydrophobicContact CG-CZ 4.29Å; S145-F149 WeakPolarHBondContact O-CD2 3.32Å; S145-F149 PolarHBondContact O-N 3.22Å; S145-F149 VanDerWaalsContact O-N 3.12Å; D146-F149 PolarHBondContact O-N 3.28Å; F149-A151 VanDerWaalsContact C-N 3.34Å; F149-A151 PolarHBondContact O-N 3.42Å; F149-V152 PolarHBondContact O-N 3.3Å; F149-E153 VanDerWaalsContact O-CB 3.31Å; F149-E153 WeakPolarHBondContact O-CB 3.46Å; F149-E153 PolarHBondContact O-N 3.19Å; F149-A166 HydrophobicContact CD1-CB 3.71Å; F149-A166 HydrophobicContact CE1-CB 4.03Å; F149-I168 HydrophobicContact CE2-CD1 3.87Å; F149-I168 HydrophobicContact CE2-CG1 3.42Å; F149-I168 VanDerWaalsContact CE2-CG1 3.42Å; F149-I168 HydrophobicContact CZ-CD1 4.42Å; F149-I168 HydrophobicContact CZ-CG1 3.49Å; F149-I168 VanDerWaalsContact CZ-CG1 3.49Å
150E98.4Very high97.8Very high129 Ų12961.6 Ų61.660%0.60331%0.31SS*.Hα-helixtrans-57.6-45.8174.2-72.3174-178.400111.6D146 E153 K154D146-E150 WeakPolarHBondContact O-CG 3.43Å; D146-E150 PolarHBondContact O-N 3.14Å; E150-E153 PolarHBondContact O-N 3.33Å; E150-K154 WeakPolarHBondContact O-CB 3.26Å; E150-K154 PolarHBondContact O-N 3.46Å
151A98.4Very high98Very high4 Ų457.5 Ų57.53%0.03329%0.291CS..Hα-helixtrans-66.2-39.4178.100000112.7P98 K147 V148 F149 A155P98-A151 HydrophobicContact CB-CB 4.21Å; P98-A151 WeakPolarHBondContact O-CB 3.5Å; K147-A151 PolarHBondContact O-N 3.14Å; K147-A151 VanDerWaalsContact O-N 3.1Å; V148-A151 PolarHBondContact O-N 3.35Å; F149-A151 VanDerWaalsContact C-N 3.34Å; F149-A151 PolarHBondContact O-N 3.42Å; A151-A155 WeakPolarHBondContact O-CB 3.09Å; A151-A155 PolarHBondContact O-N 2.92Å; A151-A155 VanDerWaalsContact O-N 3.11Å
152V98.4Very high98Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-65.8-46.7175.81630000111.1I91 A101 L105 L128 V148 F149 A155 L156 A166I91-V152 HydrophobicContact CD1-CG2 4.48Å; I91-V152 HydrophobicContact CG2-CG2 4.46Å; A101-V152 HydrophobicContact CB-CG2 3.98Å; L105-V152 HydrophobicContact CD1-CG1 4.03Å; L105-V152 HydrophobicContact CD1-CG2 4.27Å; L128-V152 HydrophobicContact CD1-CG1 3.63Å; L128-V152 HydrophobicContact CD2-CG1 4.37Å; L128-V152 HydrophobicContact CG-CG1 4.45Å; V148-V152 WeakPolarHBondContact O-CB 3.03Å; V148-V152 VanDerWaalsContact O-CG2 3.29Å; V148-V152 WeakPolarHBondContact O-CG2 3.3Å; V148-V152 PolarHBondContact O-N 3.07Å; F149-V152 PolarHBondContact O-N 3.3Å; V152-A155 PolarHBondContact O-N 3.4Å; V152-L156 HydrophobicContact CG1-CD1 3.79Å; V152-L156 HydrophobicContact CG1-CG 4.3Å; V152-L156 WeakPolarHBondContact O-CB 3.37Å; V152-L156 WeakPolarHBondContact O-CG 3.49Å; V152-L156 PolarHBondContact O-N 3Å; V152-A166 HydrophobicContact CG1-CB 4.19Å
153E98.3Very high98Very high80 Ų8049.7 Ų49.737%0.37426%0.262SS..Hα-helixtrans-58-50.9177.7172164.2-170.700111F149 E150 A155 L156 Q157 Y163F149-E153 VanDerWaalsContact O-CB 3.31Å; F149-E153 WeakPolarHBondContact O-CB 3.46Å; F149-E153 PolarHBondContact O-N 3.19Å; E150-E153 PolarHBondContact O-N 3.33Å; E153-A155 VanDerWaalsContact C-N 3.27Å; E153-A155 PolarHBondContact O-N 2.7Å; E153-L156 PolarHBondContact O-N 3.05Å; E153-Q157 HydrophobicContact CG-CG 4.32Å; E153-Q157 WeakPolarHBondContact O-CB 3.31Å; E153-Q157 WeakPolarHBondContact O-CG 3.47Å; E153-Q157 PolarHBondContact O-N 3.39Å; E153-Q157 PolarHBondContact OE1-NE2 2.79Å; E153-Y163 HydrophobicContact CB-CE1 4.45Å; E153-Y163 WeakPolarHBondContact CB-OH 3.27Å; E153-Y163 HydrophobicContact CG-CE1 3.68Å
154K98Very high97.9Very high136 Ų13648.7 Ų48.759%0.59126%0.257SS*.Hα-helixtrans-56.7-40.6177.4179.8-177.8173.1-164.30112.3E99 E150E99-K154 IonicContact OE1-NZ 2.79Å; E99-K154 IonicContact OE2-NZ 2.66Å; E150-K154 WeakPolarHBondContact O-CB 3.26Å; E150-K154 PolarHBondContact O-N 3.46Å
155A97.7Very high97.8Very high25 Ų2549.2 Ų49.221%0.20726%0.264CS..Hα-helixtrans-68.7-45.7177.400000112A151 V152 E153 G158 F159A151-A155 WeakPolarHBondContact O-CB 3.09Å; A151-A155 PolarHBondContact O-N 2.92Å; A151-A155 VanDerWaalsContact O-N 3.11Å; V152-A155 PolarHBondContact O-N 3.4Å; E153-A155 VanDerWaalsContact C-N 3.27Å; E153-A155 PolarHBondContact O-N 2.7Å; A155-G158 PolarHBondContact O-N 3.29Å; A155-F159 VanDerWaalsContact O-CD2 3.24Å; A155-F159 WeakPolarHBondContact O-CD2 3.32Å; A155-F159 WeakPolarHBondContact O-CE2 3.49Å
156L98.1Very high97.7Very high0 Ų050.3 Ų50.30%027%0.273CS..Hα-helixtrans-69.6-34.5-177.2-68.6179.3000113L53 L105 M109 L126 L128 V152 E153 G158 F159 Y163L53-L156 HydrophobicContact CD1-CD2 4.24Å; L53-L156 HydrophobicContact CD2-CD2 4.3Å; L105-L156 HydrophobicContact CD1-CD1 4.47Å; L105-L156 HydrophobicContact CD1-CD2 3.96Å; L105-L156 HydrophobicContact CD1-CG 4.18Å; M109-L156 HydrophobicContact CE-CD2 4.15Å; M109-L156 HydrophobicContact CG-CD2 3.91Å; M109-L156 HydrophobicContact SD-CD2 3.72Å; L126-L156 HydrophobicContact CD2-CB 4.08Å; L126-L156 HydrophobicContact CD2-CD2 4.24Å; L128-L156 HydrophobicContact CB-CD1 4Å; L128-L156 HydrophobicContact CD1-CD1 4.19Å; V152-L156 HydrophobicContact CG1-CD1 3.79Å; V152-L156 HydrophobicContact CG1-CG 4.3Å; V152-L156 WeakPolarHBondContact O-CB 3.37Å; V152-L156 WeakPolarHBondContact O-CG 3.49Å; V152-L156 PolarHBondContact O-N 3Å; E153-L156 PolarHBondContact O-N 3.05Å; L156-G158 PolarHBondContact O-N 3.21Å; L156-F159 PolarHBondContact O-N 3.09Å; L156-Y163 HydrophobicContact CB-CD2 3.9Å; L156-Y163 HydrophobicContact CB-CE2 3.97Å; L156-Y163 HydrophobicContact CD1-CD2 4.37Å; L156-Y163 HydrophobicContact CD1-CE2 3.9Å
157Q97.4Very high97.6Very high111 Ų11150.8 Ų50.852%0.51927%0.27SS..THydrogen-bonded Turntrans-65.8-15.9173.8-74.3177.5-7.500113.5E153 F159 Y163E153-Q157 HydrophobicContact CG-CG 4.32Å; E153-Q157 WeakPolarHBondContact O-CB 3.31Å; E153-Q157 WeakPolarHBondContact O-CG 3.47Å; E153-Q157 PolarHBondContact O-N 3.39Å; E153-Q157 PolarHBondContact OE1-NE2 2.79Å; Q157-F159 PolarHBondContact O-N 3.05Å; Q157-Y163 HydrophobicContact CG-CD1 3.75Å; Q157-Y163 HydrophobicContact CG-CE1 4.25Å; Q157-Y163 HydrophobicContact CG-CG 4.05Å
158G96.9Very high97.6Very high67 Ų6748.7 Ų48.769%0.69126%0.263SS*.THydrogen-bonded Turntrans-74.2-10174.900000114.8A155 L156A155-G158 PolarHBondContact O-N 3.29Å; L156-G158 PolarHBondContact O-N 3.21Å
159F98Very high97.5Very high29 Ų2948.8 Ų48.813%0.12726%0.263CS..SBendtrans-100154.5-178.3-68.5-88.2000111.3T106 M109 R110 E113 A155 L156 Q157 F161T106-F159 HydrophobicContact CG2-CZ 4.31Å; M109-F159 HydrophobicContact CB-CD1 3.64Å; M109-F159 HydrophobicContact CB-CD2 3.93Å; M109-F159 HydrophobicContact CB-CE1 3.31Å; M109-F159 HydrophobicContact CB-CE2 3.6Å; M109-F159 HydrophobicContact CB-CG 3.97Å; M109-F159 HydrophobicContact CB-CZ 3.3Å; M109-F159 HydrophobicContact CE-CB 3.87Å; M109-F159 HydrophobicContact CE-CD1 4.26Å; M109-F159 HydrophobicContact CE-CD2 4.03Å; M109-F159 HydrophobicContact CE-CG 3.78Å; M109-F159 HydrophobicContact CG-CD2 4.15Å; M109-F159 HydrophobicContact CG-CE1 4.47Å; M109-F159 HydrophobicContact CG-CE2 3.95Å; M109-F159 HydrophobicContact CG-CG 4.49Å; M109-F159 HydrophobicContact CG-CZ 4.15Å; R110-F159 HydrophobicContact CG-CE1 4.17Å; E113-F159 HydrophobicContact CG-CD1 4.22Å; E113-F159 WeakPolarHBondContact OE1-CD1 2.99Å; A155-F159 VanDerWaalsContact O-CD2 3.24Å; A155-F159 WeakPolarHBondContact O-CD2 3.32Å; A155-F159 WeakPolarHBondContact O-CE2 3.49Å; L156-F159 PolarHBondContact O-N 3.09Å; Q157-F159 PolarHBondContact O-N 3.05Å; F159-F161 HydrophobicContact CB-CD2 4.03Å; F159-F161 PolarHBondContact O-N 3.09Å
160P97.8Very high97.4Very high51 Ų5149.7 Ų49.733%0.33127%0.272SS..SBendtrans-76.114.7-170.833.5-38.7000114.6E113 H121 Q122E113-P160 HydrophobicContact CG-CG 3.96Å; E113-P160 WeakPolarHBondContact OE1-CD 3.17Å; H121-P160 CarbonylContact C-O 3.03Å; H121-P160 HydrophobicContact CB-CB 4.06Å; H121-P160 HydrophobicContact CB-CG 4.2Å; H121-P160 WeakPolarHBondContact CB-O 3.47Å; Q122-P160 PolarHBondContact N-O 2.78Å
161F98.3Very high97.3Very high14 Ų1443.7 Ų43.76%0.06125%0.246CC..SBendtrans-92158.6-178.5-58.5-62.4000112I51 M109 A112 E113 V116 H121 T124 L126 F159 Y163I51-F161 HydrophobicContact CD1-CD1 3.74Å; I51-F161 HydrophobicContact CD1-CD2 3.74Å; I51-F161 HydrophobicContact CD1-CE1 3.64Å; I51-F161 HydrophobicContact CD1-CE2 3.64Å; I51-F161 HydrophobicContact CD1-CG 3.78Å; I51-F161 HydrophobicContact CD1-CZ 3.58Å; M109-F161 HydrophobicContact CE-CD2 3.67Å; M109-F161 HydrophobicContact CE-CE2 3.96Å; A112-F161 HydrophobicContact CB-CE2 3.96Å; A112-F161 HydrophobicContact CB-CZ 4.05Å; E113-F161 HydrophobicContact CG-CE2 3.98Å; E113-F161 HydrophobicContact CG-CZ 4.16Å; V116-F161 HydrophobicContact CB-CE1 3.94Å; V116-F161 HydrophobicContact CB-CZ 4.37Å; V116-F161 HydrophobicContact CG1-CE1 4.15Å; V116-F161 HydrophobicContact CG2-CE1 4.08Å; V116-F161 HydrophobicContact CG2-CZ 4.36Å; H121-F161 HydrophobicContact CB-CD1 4.33Å; H121-F161 HydrophobicContact CB-CE1 4.36Å; H121-F161 AromaticContact CD2-CE1 3.67Å; H121-F161 WeakPolarHBondContact O-CA 3.32Å; T124-F161 HydrophobicContact CG2-CD1 4.01Å; T124-F161 HydrophobicContact CG2-CE1 4.39Å; L126-F161 HydrophobicContact CB-CB 3.89Å; L126-F161 HydrophobicContact CD2-CB 4.08Å; L126-F161 HydrophobicContact CD2-CD2 4.47Å; F159-F161 HydrophobicContact CB-CD2 4.03Å; F159-F161 PolarHBondContact O-N 3.09Å; F161-Y163 PolarHBondContact O-N 2.9Å
162S96.9Very high97.1Very high39 Ų3946.3 Ų46.327%0.27326%0.257SS..EExtended strand (participates in β ladder)trans-7594.3174.8-171.40000109.8Q122 T124 P125 L126 Q164Q122-S162 WeakPolarHBondContact O-CB 3.46Å; T124-S162 WeakPolarHBondContact O-CB 3.43Å; T124-S162 PolarHBondContact O-N 3.26Å; P125-S162 CarbonylContact C-O 3.27Å; P125-S162 WeakPolarHBondContact CA-O 3.2Å; L126-S162 PolarHBondContact N-O 3.08Å; S162-Q164 WeakPolarHBondContact O-CG 3.42Å; S162-Q164 PolarHBondContact O-N 2.96Å; S162-Q164 PolarHBondContact OG-NE2 3.39Å
163Y97.3Very high96.9Very high44 Ų4448.9 Ų48.917%0.17327%0.269CS..EExtended strand (participates in β ladder)trans-66123.9176.7177.8-108.6000111.1L126 E153 L156 Q157 F161 A166L126-Y163 HydrophobicContact CD2-CD2 4.46Å; E153-Y163 HydrophobicContact CB-CE1 4.45Å; E153-Y163 WeakPolarHBondContact CB-OH 3.27Å; E153-Y163 HydrophobicContact CG-CE1 3.68Å; L156-Y163 HydrophobicContact CB-CD2 3.9Å; L156-Y163 HydrophobicContact CB-CE2 3.97Å; L156-Y163 HydrophobicContact CD1-CD2 4.37Å; L156-Y163 HydrophobicContact CD1-CE2 3.9Å; Q157-Y163 HydrophobicContact CG-CD1 3.75Å; Q157-Y163 HydrophobicContact CG-CE1 4.25Å; Q157-Y163 HydrophobicContact CG-CG 4.05Å; F161-Y163 PolarHBondContact O-N 2.9Å; Y163-A166 WeakPolarHBondContact OH-CB 3.36Å; Y163-A166 PolarHBondContact OH-N 3.5Å
164Q96.5Very high96.8Very high97 Ų9745.4 Ų45.445%0.45325%0.253SS..EExtended strand (participates in β ladder)trans-110.8-4.9-176.3-63.5-66.2-46.600113.2P125 L126 Y127 S162P125-Q164 HydrophobicContact CB-CG 3.72Å; L126-Q164 PolarHBondContact O-N 3.25Å; Y127-Q164 HydrophobicContact CD1-CB 3.51Å; Y127-Q164 HydrophobicContact CD1-CG 4.41Å; Y127-Q164 HydrophobicContact CD2-CB 4.46Å; Y127-Q164 HydrophobicContact CE1-CB 3.09Å; Y127-Q164 HydrophobicContact CE1-CG 3.75Å; Y127-Q164 HydrophobicContact CE2-CB 4.14Å; Y127-Q164 HydrophobicContact CE2-CG 4.02Å; Y127-Q164 HydrophobicContact CG-CB 4.17Å; Y127-Q164 VanDerWaalsContact CZ-CB 3.44Å; Y127-Q164 VanDerWaalsContact CZ-CG 3.49Å; Y127-Q164 WeakPolarHBondContact OH-CG 3.31Å; S162-Q164 WeakPolarHBondContact O-CG 3.42Å; S162-Q164 PolarHBondContact O-N 2.96Å; S162-Q164 PolarHBondContact OG-NE2 3.39Å
165G95.3Very high96.8Very high23 Ų2339 Ų3924%0.23723%0.226CC..EExtended strand (participates in β ladder)trans123.9159176.800000114.3L128L128-G165 PolarHBondContact N-O 3.47Å; L128-G165 VanDerWaalsContact N-O 3.13Å
166A96.8Very high96.7Very high24 Ų2437.9 Ų37.920%0.19822%0.216CC..EExtended strand (participates in β ladder)trans-118.6130.3171.200000108.4L128 F149 V152 Y163L128-A166 HydrophobicContact CB-CB 3.97Å; L128-A166 HydrophobicContact CD2-CB 4Å; L128-A166 VanDerWaalsContact O-CA 3.3Å; L128-A166 WeakPolarHBondContact O-CA 3.23Å; F149-A166 HydrophobicContact CD1-CB 3.71Å; F149-A166 HydrophobicContact CE1-CB 4.03Å; V152-A166 HydrophobicContact CG1-CB 4.19Å; Y163-A166 WeakPolarHBondContact OH-CB 3.36Å; Y163-A166 PolarHBondContact OH-N 3.5Å
167R96.6Very high96.5Very high78 Ų7838.2 Ų38.229%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-147.7161.5-177.970.3-178.9-173.2100.2-5.7112.8L128 A130 L169 E173 Y441L128-R167 PolarHBondContact O-N 3.48Å; A130-R167 PolarHBondContact N-O 2.99Å; R167-L169 HydrophobicContact CG-CD1 4.31Å; R167-E173 IonicContact CZ-OE1 3.08Å; R167-E173 VanDerWaalsContact NH1-CD 3.34Å; R167-E173 IonicContact NH1-OE1 2.74Å; R167-E173 PolarHBondContact NH1-OE1 3.01Å; R167-E173 IonicContact NH1-OE2 3.28Å; R167-E173 PolarHBondContact NH1-OE2 3.39Å; R167-E173 VanDerWaalsContact NH1-OE2 3.14Å; R167-E173 IonicContact NH2-OE1 3.88Å; R167-E173 PolarHBondContact NH2-OE1 3.22Å; R167-Y441 VanDerWaalsContact NH2-CE2 3.33Å
168I98Very high96.4Very high47 Ų4733 Ų3324%0.24119%0.193CC..EExtended strand (participates in β ladder)trans-83.2123.5167.5-52.6177.4000108.4A130 M134 R135 N138 F149A130-I168 CarbonylContact O-C 3.55Å; A130-I168 WeakPolarHBondContact O-CA 3.37Å; M134-I168 HydrophobicContact CB-CD1 4.16Å; M134-I168 HydrophobicContact CB-CG1 4.04Å; R135-I168 HydrophobicContact CB-CG2 4.48Å; R135-I168 HydrophobicContact CG-CG2 3.4Å; N138-I168 HydrophobicContact CB-CD1 3.83Å; F149-I168 HydrophobicContact CE2-CD1 3.87Å; F149-I168 HydrophobicContact CE2-CG1 3.42Å; F149-I168 VanDerWaalsContact CE2-CG1 3.42Å; F149-I168 HydrophobicContact CZ-CD1 4.42Å; F149-I168 HydrophobicContact CZ-CG1 3.49Å; F149-I168 VanDerWaalsContact CZ-CG1 3.49Å
169L96.7Very high96.4Very high1 Ų129.8 Ų29.81%0.00516%0.16CC..PPolyproline II helixtrans-74139.5170.6-88.368000109.8G129 A130 R167 E173 F177 W437G129-L169 VanDerWaalsContact CA-CD1 3.43Å; A130-L169 PolarHBondContact O-N 3.48Å; R167-L169 HydrophobicContact CG-CD1 4.31Å; L169-E173 HydrophobicContact CB-CB 4.49Å; L169-E173 HydrophobicContact CD2-CB 4.46Å; L169-E173 HydrophobicContact CG-CB 4.43Å; L169-F177 HydrophobicContact CD2-CD2 4.22Å; L169-W437 HydrophobicContact CD1-CH2 4.29Å; L169-W437 HydrophobicContact CD1-CZ3 4.39Å; L169-W437 HydrophobicContact CD2-CD2 3.91Å; L169-W437 HydrophobicContact CD2-CE3 3.53Å; L169-W437 HydrophobicContact CD2-CH2 4.11Å; L169-W437 HydrophobicContact CD2-CZ2 4.37Å; L169-W437 HydrophobicContact CD2-CZ3 3.67Å
170S96.4Very high96.2Very high44 Ų4428.5 Ų28.531%0.30816%0.155SC..PPolyproline II helixtrans-63.4155163.3670000109.8Q172 E173 E174S170-Q172 PolarHBondContact O-N 3.29Å; S170-E173 WeakPolarHBondContact CB-OE2 3.48Å; S170-E173 PolarHBondContact N-OE2 3.38Å; S170-E173 PolarHBondContact O-N 3.24Å; S170-E173 WeakPolarHBondContact OG-CB 3.25Å; S170-E173 WeakPolarHBondContact OG-CG 3.32Å; S170-E173 PolarHBondContact OG-N 3.11Å; S170-E173 PolarHBondContact OG-OE2 3.02Å; S170-E174 PolarHBondContact O-N 3.43Å; S170-E174 VanDerWaalsContact O-N 3.08Å
171G95.3Very high95.8Very high4 Ų426 Ų264%0.04114%0.139CC..Hα-helixtrans-64-32.9178.400000112.8G175G171-G175 PolarHBondContact O-N 3Å; G171-G175 VanDerWaalsContact O-N 3.12Å
172Q94Very high95.5Very high58 Ų5825.5 Ų25.527%0.27114%0.137SC..Hα-helixtrans-64.2-46.9175-7184.2-17.700111.3S170 G175 A176 S222 V225 T238S170-Q172 PolarHBondContact O-N 3.29Å; Q172-G175 PolarHBondContact O-N 2.89Å; Q172-A176 WeakPolarHBondContact O-CB 3.45Å; Q172-A176 PolarHBondContact O-N 3.24Å; Q172-S222 PolarHBondContact NE2-O 3.26Å; Q172-S222 VanDerWaalsContact NE2-O 3.08Å; Q172-V225 HydrophobicContact CB-CG2 3.98Å; Q172-T238 HydrophobicContact CB-CG2 3.79Å; Q172-T238 HydrophobicContact CG-CG2 3.92Å; Q172-T238 PolarHBondContact O-OG1 3.12Å
173E94.7Very high95.3Very high55 Ų5523.7 Ų23.726%0.25712%0.124SC..Hα-helixtrans-58.6-47.9175.2-77.7170.8110.600111.6R167 L169 S170 G175 A176 F177R167-E173 IonicContact CZ-OE1 3.08Å; R167-E173 VanDerWaalsContact NH1-CD 3.34Å; R167-E173 IonicContact NH1-OE1 2.74Å; R167-E173 PolarHBondContact NH1-OE1 3.01Å; R167-E173 IonicContact NH1-OE2 3.28Å; R167-E173 PolarHBondContact NH1-OE2 3.39Å; R167-E173 VanDerWaalsContact NH1-OE2 3.14Å; R167-E173 IonicContact NH2-OE1 3.88Å; R167-E173 PolarHBondContact NH2-OE1 3.22Å; L169-E173 HydrophobicContact CB-CB 4.49Å; L169-E173 HydrophobicContact CD2-CB 4.46Å; L169-E173 HydrophobicContact CG-CB 4.43Å; S170-E173 WeakPolarHBondContact CB-OE2 3.48Å; S170-E173 PolarHBondContact N-OE2 3.38Å; S170-E173 PolarHBondContact O-N 3.24Å; S170-E173 WeakPolarHBondContact OG-CB 3.25Å; S170-E173 WeakPolarHBondContact OG-CG 3.32Å; S170-E173 PolarHBondContact OG-N 3.11Å; S170-E173 PolarHBondContact OG-OE2 3.02Å; E173-G175 PolarHBondContact O-N 3.06Å; E173-A176 PolarHBondContact O-N 3.08Å; E173-F177 HydrophobicContact CB-CD2 4.07Å; E173-F177 HydrophobicContact CB-CE2 3.77Å; E173-F177 HydrophobicContact CG-CE2 4.09Å; E173-F177 WeakPolarHBondContact O-CB 3.47Å; E173-F177 WeakPolarHBondContact O-CD2 3.28Å; E173-F177 WeakPolarHBondContact O-CG 3.44Å; E173-F177 PolarHBondContact O-N 3.05Å
174E96.8Very high94.8Very high6 Ų622.8 Ų22.83%0.02812%0.12CC..Hα-helixtrans-57-50.8-179.9-171.6179.9155.900111.6T131 R135 S170 G178 Q207 W437T131-E174 VanDerWaalsContact CB-OE2 3.28Å; T131-E174 WeakPolarHBondContact CB-OE2 3.37Å; T131-E174 HydrophobicContact CG2-CG 3.96Å; T131-E174 WeakPolarHBondContact CG2-OE2 3.32Å; R135-E174 IonicContact CZ-OE2 3.14Å; R135-E174 IonicContact NH2-OE2 3.09Å; R135-E174 PolarHBondContact NH2-OE2 3.1Å; S170-E174 PolarHBondContact O-N 3.43Å; S170-E174 VanDerWaalsContact O-N 3.08Å; E174-G178 PolarHBondContact O-N 2.75Å; E174-G178 VanDerWaalsContact O-N 3.07Å; E174-Q207 PolarHBondContact OE1-NE2 3.46Å; E174-Q207 PolarHBondContact OE2-NE2 3.47Å; E174-W437 HydrophobicContact CG-CG 4.27Å; E174-W437 WeakPolarHBondContact O-CB 3.44Å
175G96.8Very high94.1Very high3 Ų318.5 Ų18.53%0.03110%0.101CC..Hα-helixtrans-65.5-42.5177.900000112.8G171 Q172 E173 G178 W179 S209G171-G175 PolarHBondContact O-N 3Å; G171-G175 VanDerWaalsContact O-N 3.12Å; Q172-G175 PolarHBondContact O-N 2.89Å; E173-G175 PolarHBondContact O-N 3.06Å; G175-G178 PolarHBondContact O-N 3.24Å; G175-W179 PolarHBondContact O-N 3.12Å; G175-S209 WeakPolarHBondContact CA-OG 3.3Å; G175-S209 PolarHBondContact O-OG 3.32Å
176A95.6Very high93.5Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-68.2-41.1-176.700000112.4Q172 E173 G178 W179 V180 V225 F227 L236 T238Q172-A176 WeakPolarHBondContact O-CB 3.45Å; Q172-A176 PolarHBondContact O-N 3.24Å; E173-A176 PolarHBondContact O-N 3.08Å; A176-G178 VanDerWaalsContact C-N 3.35Å; A176-W179 WeakPolarHBondContact O-CB 3.48Å; A176-W179 PolarHBondContact O-N 2.88Å; A176-V180 WeakPolarHBondContact O-CG2 3.47Å; A176-V180 PolarHBondContact O-N 3.17Å; A176-V225 HydrophobicContact CB-CB 4.33Å; A176-V225 HydrophobicContact CB-CG1 4.1Å; A176-F227 HydrophobicContact CB-CE2 3.67Å; A176-F227 HydrophobicContact CB-CZ 3.52Å; A176-L236 HydrophobicContact CB-CD2 4.4Å; A176-T238 HydrophobicContact CB-CG2 4.46Å
177F95.6Very high92.8Very high8 Ų823 Ų234%0.03512%0.116CC..Hα-helixtrans-67.8-34.3172.3-67-49000112.2L169 E173 W179 V180 T181 F227 W437 Y441 N444L169-F177 HydrophobicContact CD2-CD2 4.22Å; E173-F177 HydrophobicContact CB-CD2 4.07Å; E173-F177 HydrophobicContact CB-CE2 3.77Å; E173-F177 HydrophobicContact CG-CE2 4.09Å; E173-F177 WeakPolarHBondContact O-CB 3.47Å; E173-F177 WeakPolarHBondContact O-CD2 3.28Å; E173-F177 WeakPolarHBondContact O-CG 3.44Å; E173-F177 PolarHBondContact O-N 3.05Å; F177-W179 VanDerWaalsContact C-N 3.32Å; F177-W179 PolarHBondContact O-N 3.43Å; F177-V180 PolarHBondContact O-N 2.99Å; F177-T181 PolarHBondContact O-N 3.24Å; F177-T181 PolarHBondContact O-OG1 3.5Å; F177-F227 HydrophobicContact CD1-CE1 4.37Å; F177-F227 AromaticContact CE1-CE1 3.98Å; F177-F227 HydrophobicContact CE1-CE1 3.98Å; F177-W437 HydrophobicContact CB-CB 3.95Å; F177-W437 WeakPolarHBondContact CB-O 3.28Å; F177-Y441 AromaticContact CD2-CD2 3.96Å; F177-Y441 HydrophobicContact CD2-CD2 3.96Å; F177-Y441 HydrophobicContact CE1-CD2 4.31Å; F177-Y441 AromaticContact CE2-CD2 3.49Å; F177-Y441 HydrophobicContact CE2-CD2 3.49Å; F177-Y441 VanDerWaalsContact CE2-CD2 3.49Å; F177-Y441 HydrophobicContact CE2-CE2 4.22Å; F177-Y441 HydrophobicContact CE2-CG 4.45Å; F177-Y441 AromaticContact CZ-CD2 3.7Å; F177-Y441 HydrophobicContact CZ-CD2 3.7Å; F177-Y441 HydrophobicContact CZ-CE2 4.36Å; F177-N444 HydrophobicContact CD1-CB 4.5Å; F177-N444 HydrophobicContact CE1-CB 3.8Å
178G94.9Very high92.2Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-59-42.3169.900000112.5E174 G175 A176 T181 V182E174-G178 PolarHBondContact O-N 2.75Å; E174-G178 VanDerWaalsContact O-N 3.07Å; G175-G178 PolarHBondContact O-N 3.24Å; A176-G178 VanDerWaalsContact C-N 3.35Å; G178-T181 WeakPolarHBondContact O-CB 3.38Å; G178-T181 PolarHBondContact O-N 3.24Å; G178-V182 WeakPolarHBondContact O-CG2 3.38Å; G178-V182 PolarHBondContact O-N 3.21Å; G178-V182 VanDerWaalsContact O-N 3.11Å
179W95.8Very high91.5Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-62.2-40.9173.1177.695.4000112.9G175 A176 F177 T181 V182 N183 L189 T195 T196 A198 V211 Y234 L236G175-W179 PolarHBondContact O-N 3.12Å; A176-W179 WeakPolarHBondContact O-CB 3.48Å; A176-W179 PolarHBondContact O-N 2.88Å; F177-W179 VanDerWaalsContact C-N 3.32Å; F177-W179 PolarHBondContact O-N 3.43Å; W179-T181 VanDerWaalsContact C-N 3.32Å; W179-T181 PolarHBondContact O-N 3.36Å; W179-V182 PolarHBondContact O-N 2.91Å; W179-N183 PolarHBondContact NE1-ND2 3.18Å; W179-N183 PolarHBondContact O-N 3.48Å; W179-N183 VanDerWaalsContact O-N 3.15Å; W179-N183 PolarHBondContact O-ND2 2.83Å; W179-L189 HydrophobicContact CH2-CD2 3.62Å; W179-L189 HydrophobicContact CZ2-CD2 4.49Å; W179-L189 HydrophobicContact CZ3-CD2 3.78Å; W179-T195 HydrophobicContact CH2-CG2 3.99Å; W179-T195 VanDerWaalsContact CZ2-CB 3.48Å; W179-T195 HydrophobicContact CZ2-CG2 3.52Å; W179-T195 WeakPolarHBondContact CZ2-OG1 3.27Å; W179-T196 VanDerWaalsContact CD1-O 3.26Å; W179-T196 PolarHBondContact NE1-O 2.86Å; W179-A198 HydrophobicContact CB-CB 3.87Å; W179-V211 HydrophobicContact CH2-CG2 4.27Å; W179-V211 HydrophobicContact CZ2-CG2 3.53Å; W179-Y234 AromaticContact CH2-CD1 3.64Å; W179-Y234 HydrophobicContact CH2-CD1 3.64Å; W179-Y234 HydrophobicContact CH2-CD2 4.28Å; W179-Y234 HydrophobicContact CH2-CE1 4.13Å; W179-Y234 AromaticContact CH2-CG 3.72Å; W179-Y234 HydrophobicContact CH2-CG 3.72Å; W179-Y234 HydrophobicContact CZ2-CD1 4.26Å; W179-Y234 HydrophobicContact CZ3-CG 4.38Å; W179-L236 HydrophobicContact CB-CD2 3.88Å; W179-L236 HydrophobicContact CD2-CD2 3.4Å; W179-L236 HydrophobicContact CD2-CG 4.09Å; W179-L236 HydrophobicContact CE3-CD1 4.27Å; W179-L236 HydrophobicContact CE3-CD2 3.5Å; W179-L236 VanDerWaalsContact CE3-CD2 3.5Å; W179-L236 HydrophobicContact CE3-CG 4.22Å; W179-L236 HydrophobicContact CG-CD2 3.59Å; W179-L236 HydrophobicContact CH2-CD1 4.2Å; W179-L236 HydrophobicContact CZ2-CD1 4.48Å; W179-L236 HydrophobicContact CZ2-CG 4.42Å; W179-L236 HydrophobicContact CZ3-CD1 4.09Å; W179-L236 HydrophobicContact CZ3-CD2 4.18Å; W179-L236 HydrophobicContact CZ3-CG 4.47Å
180V93.4Very high90.7Very high2 Ų224.5 Ų24.51%0.01212%0.121CC..Hα-helixtrans-59.6-46.2175.8173.40000109.9A176 F177 V182 N183 Y184 L189 F227 L229 L443A176-V180 WeakPolarHBondContact O-CG2 3.47Å; A176-V180 PolarHBondContact O-N 3.17Å; F177-V180 PolarHBondContact O-N 2.99Å; V180-V182 PolarHBondContact O-N 3.37Å; V180-N183 PolarHBondContact O-N 3.43Å; V180-Y184 WeakPolarHBondContact O-CB 3.34Å; V180-Y184 PolarHBondContact O-N 3.22Å; V180-L189 HydrophobicContact CG1-CD1 4.01Å; V180-F227 HydrophobicContact CG2-CE2 4.43Å; V180-L229 HydrophobicContact CB-CD1 4.41Å; V180-L229 HydrophobicContact CG1-CD1 3.83Å; V180-L229 HydrophobicContact CG2-CD1 3.69Å; V180-L443 HydrophobicContact CG1-CB 4.45Å; V180-L443 HydrophobicContact CG1-CD1 4.03Å
181T91.4Very high89.9Confident0 Ų028.3 Ų28.30%013%0.134CC..Hα-helixtrans-57.2-50.5177.8-62.50000112.5F177 G178 W179 N183 Y184 L185 G436 L439 G440F177-T181 PolarHBondContact O-N 3.24Å; F177-T181 PolarHBondContact O-OG1 3.5Å; G178-T181 WeakPolarHBondContact O-CB 3.38Å; G178-T181 PolarHBondContact O-N 3.24Å; W179-T181 VanDerWaalsContact C-N 3.32Å; W179-T181 PolarHBondContact O-N 3.36Å; T181-N183 VanDerWaalsContact C-N 3.29Å; T181-N183 PolarHBondContact O-N 3.12Å; T181-Y184 PolarHBondContact O-N 2.97Å; T181-L185 HydrophobicContact CG2-CD1 3.68Å; T181-L185 HydrophobicContact CG2-CG 4.41Å; T181-L185 WeakPolarHBondContact O-CG 3.24Å; T181-L185 PolarHBondContact O-N 3.19Å; T181-G436 WeakPolarHBondContact CB-O 3.08Å; T181-G436 VanDerWaalsContact CG2-O 3.31Å; T181-G436 WeakPolarHBondContact CG2-O 3.25Å; T181-G436 PolarHBondContact OG1-O 3.28Å; T181-L439 HydrophobicContact CG2-CB 4.06Å; T181-L439 HydrophobicContact CG2-CD2 4.08Å; T181-G440 PolarHBondContact OG1-N 2.89Å
182V91.4Very high88.9Confident3 Ų330.2 Ų30.22%0.01815%0.154CC..Hα-helixtrans-58.8-42-178.6171.40000111.5G178 W179 V180 T196 A198 F347G178-V182 WeakPolarHBondContact O-CG2 3.38Å; G178-V182 PolarHBondContact O-N 3.21Å; G178-V182 VanDerWaalsContact O-N 3.11Å; W179-V182 PolarHBondContact O-N 2.91Å; V180-V182 PolarHBondContact O-N 3.37Å; V182-T196 HydrophobicContact CG1-CG2 3.85Å; V182-A198 HydrophobicContact CG2-CB 4.31Å; V182-F347 HydrophobicContact CG2-CD1 3.96Å; V182-F347 HydrophobicContact CG2-CE1 3.74Å
183N91.6Very high88.3Confident0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-83.5-28.8-177.1-72.6-77.2000113.8W179 V180 T181 R188 L189 T195 T196W179-N183 PolarHBondContact NE1-ND2 3.18Å; W179-N183 PolarHBondContact O-N 3.48Å; W179-N183 VanDerWaalsContact O-N 3.15Å; W179-N183 PolarHBondContact O-ND2 2.83Å; V180-N183 PolarHBondContact O-N 3.43Å; T181-N183 VanDerWaalsContact C-N 3.29Å; T181-N183 PolarHBondContact O-N 3.12Å; N183-R188 HydrophobicContact CB-CB 4.41Å; N183-R188 PolarHBondContact O-N 3.09Å; N183-L189 HydrophobicContact CB-CD1 4.15Å; N183-L189 HydrophobicContact CB-CD2 3.54Å; N183-L189 HydrophobicContact CB-CG 3.62Å; N183-T195 VanDerWaalsContact OD1-CA 3.22Å; N183-T195 WeakPolarHBondContact OD1-CA 3.33Å; N183-T195 WeakPolarHBondContact OD1-CB 3.44Å; N183-T196 PolarHBondContact ND2-O 3.45Å; N183-T196 PolarHBondContact OD1-N 3.42Å
184Y86.9Confident88Confident25 Ų2534.5 Ų34.510%0.09818%0.176CC..Hα-helixtrans-66.7-49.3174.7170.6-102.7000110.7R77 V78 V180 T181 D186 D187 Y230 L439 L443R77-Y184 WeakPolarHBondContact CA-OH 3.36Å; V78-Y184 PolarHBondContact N-OH 3.22Å; V78-Y184 WeakPolarHBondContact O-CE1 3.34Å; V78-Y184 VanDerWaalsContact O-CZ 3.3Å; V78-Y184 PolarHBondContact O-OH 2.92Å; V180-Y184 WeakPolarHBondContact O-CB 3.34Å; V180-Y184 PolarHBondContact O-N 3.22Å; T181-Y184 PolarHBondContact O-N 2.97Å; Y184-D186 PolarHBondContact O-N 3.4Å; Y184-D187 PolarHBondContact O-N 3.18Å; Y184-Y230 HydrophobicContact CD2-CE2 4.18Å; Y184-Y230 WeakPolarHBondContact CD2-OH 3.34Å; Y184-Y230 WeakPolarHBondContact CE2-OH 3.36Å; Y184-L439 HydrophobicContact CD1-CD2 3.65Å; Y184-L439 HydrophobicContact CD1-CG 4.23Å; Y184-L439 HydrophobicContact CE1-CD1 4.43Å; Y184-L439 HydrophobicContact CE1-CD2 3.96Å; Y184-L439 HydrophobicContact CE1-CG 4.49Å; Y184-L443 HydrophobicContact CD1-CD1 3.52Å; Y184-L443 HydrophobicContact CD2-CD1 3.65Å; Y184-L443 HydrophobicContact CD2-CD2 3.91Å; Y184-L443 HydrophobicContact CD2-CG 4.46Å; Y184-L443 HydrophobicContact CE1-CD1 4.06Å; Y184-L443 HydrophobicContact CE1-CD2 4.37Å; Y184-L443 HydrophobicContact CE2-CD1 4.2Å; Y184-L443 HydrophobicContact CE2-CD2 3.74Å; Y184-L443 HydrophobicContact CG-CD1 3.27Å; Y184-L443 HydrophobicContact CG-CD2 4.33Å; Y184-L443 HydrophobicContact CG-CG 4.43Å
185L82.4Confident87.8Confident8 Ų835.1 Ų35.14%0.04218%0.18CC..Hα-helixtrans-66.6-23.7-176.2-65.6171.2000112.6T181 I430 K431 L439T181-L185 HydrophobicContact CG2-CD1 3.68Å; T181-L185 HydrophobicContact CG2-CG 4.41Å; T181-L185 WeakPolarHBondContact O-CG 3.24Å; T181-L185 PolarHBondContact O-N 3.19Å; L185-I430 HydrophobicContact CB-CB 3.5Å; L185-I430 HydrophobicContact CB-CD1 4.06Å; L185-I430 HydrophobicContact CB-CG1 4.36Å; L185-I430 HydrophobicContact CB-CG2 3.44Å; L185-I430 VanDerWaalsContact CB-CG2 3.44Å; L185-I430 HydrophobicContact CD1-CB 3.76Å; L185-I430 HydrophobicContact CD1-CD1 4.3Å; L185-I430 HydrophobicContact CD1-CG1 4.32Å; L185-I430 HydrophobicContact CG-CB 4.21Å; L185-K431 VanDerWaalsContact O-CD 3.23Å; L185-K431 WeakPolarHBondContact O-CD 3.31Å; L185-K431 WeakPolarHBondContact O-CE 3.48Å; L185-K431 PolarHBondContact O-NZ 3.4Å; L185-L439 HydrophobicContact CD1-CD2 3.94Å; L185-L439 HydrophobicContact CD2-CD2 3.51Å; L185-L439 HydrophobicContact CG-CD2 3.71Å
186D82.1Confident87.7Confident69 Ų6935.6 Ų35.637%0.36918%0.182SC..THydrogen-bonded Turntrans-91.613.1173.3-156.636.7000113.6Y184 R188Y184-D186 PolarHBondContact O-N 3.4Å; D186-R188 HydrophobicContact CB-CG 4.16Å; D186-R188 PolarHBondContact O-N 3.11Å; D186-R188 IonicContact OD2-CZ 2.78Å; D186-R188 IonicContact OD2-NE 3.83Å; D186-R188 PolarHBondContact OD2-NE 3.38Å; D186-R188 IonicContact OD2-NH2 2.7Å; D186-R188 PolarHBondContact OD2-NH2 3.3Å
187D82.7Confident87.8Confident72 Ų7235.7 Ų35.739%0.38518%0.183SC..THydrogen-bonded Turntrans56.712.6-178.3-65.4-39.6000116.1Y184 L189 Q191 K431Y184-D187 PolarHBondContact O-N 3.18Å; D187-L189 PolarHBondContact O-N 3.19Å; D187-Q191 WeakPolarHBondContact O-CG 3.33Å; D187-Q191 PolarHBondContact O-N 2.04Å; D187-K431 IonicContact OD1-NZ 2.66Å; D187-K431 PolarHBondContact OD1-NZ 2.99Å; D187-K431 IonicContact OD2-NZ 3.65Å; D187-K431 PolarHBondContact OD2-NZ 2.9Å
188R84.8Confident87.9Confident60 Ų6035.4 Ų35.423%0.22618%0.183CC..Hα-helixtrans-68.8-37.8-175.1-67.3178.6178.5-77.2-20.4113N183 D186 K190 Q191 G192 L193 E194 T196N183-R188 HydrophobicContact CB-CB 4.41Å; N183-R188 PolarHBondContact O-N 3.09Å; D186-R188 HydrophobicContact CB-CG 4.16Å; D186-R188 PolarHBondContact O-N 3.11Å; D186-R188 IonicContact OD2-CZ 2.78Å; D186-R188 IonicContact OD2-NE 3.83Å; D186-R188 PolarHBondContact OD2-NE 3.38Å; D186-R188 IonicContact OD2-NH2 2.7Å; D186-R188 PolarHBondContact OD2-NH2 3.3Å; R188-K190 PolarHBondContact O-N 2.8Å; R188-Q191 PolarHBondContact O-N 3.31Å; R188-G192 PolarHBondContact O-N 3.08Å; R188-L193 HydrophobicContact CB-CB 4.29Å; R188-L193 HydrophobicContact CG-CB 4.39Å; R188-L193 HydrophobicContact CG-CD1 4.5Å; R188-L193 PolarHBondContact O-N 3.13Å; R188-L193 VanDerWaalsContact O-N 3.1Å; R188-E194 WeakPolarHBondContact CD-O 3.29Å; R188-E194 PolarHBondContact NH1-O 3.1Å; R188-T196 PolarHBondContact NE-OG1 2.99Å
189L83.3Confident88Confident1 Ų135.4 Ų35.41%0.00518%0.183CC..Hα-helixtrans-66-39.5-176.3-60.9-179.4000112.4W179 V180 N183 D187 T195 L229 Y230 N232 Y234W179-L189 HydrophobicContact CH2-CD2 3.62Å; W179-L189 HydrophobicContact CZ2-CD2 4.49Å; W179-L189 HydrophobicContact CZ3-CD2 3.78Å; V180-L189 HydrophobicContact CG1-CD1 4.01Å; N183-L189 HydrophobicContact CB-CD1 4.15Å; N183-L189 HydrophobicContact CB-CD2 3.54Å; N183-L189 HydrophobicContact CB-CG 3.62Å; D187-L189 PolarHBondContact O-N 3.19Å; L189-T195 HydrophobicContact CD2-CG2 4.39Å; L189-L229 HydrophobicContact CD1-CD1 3.92Å; L189-Y230 HydrophobicContact CB-CD2 3.92Å; L189-Y230 HydrophobicContact CB-CE2 4.15Å; L189-N232 PolarHBondContact O-ND2 2.95Å; L189-N232 VanDerWaalsContact O-ND2 3.1Å; L189-Y234 HydrophobicContact CD2-CE1 4.32Å; L189-Y234 HydrophobicContact CD2-CE2 4.01Å; L189-Y234 PolarHBondContact O-OH 3.03Å
190K79.1Confident88.2Confident96 Ų9635.8 Ų35.842%0.41719%0.185SC..Hα-helixtrans-70.9-37.2178.6179.3173174.6170.40111.9D72 R188 G192 Y230D72-K190 IonicContact OD2-NZ 3.38Å; D72-K190 PolarHBondContact OD2-NZ 2.77Å; R188-K190 PolarHBondContact O-N 2.8Å; K190-G192 VanDerWaalsContact C-N 3.33Å; K190-Y230 HydrophobicContact CB-CD1 4.47Å; K190-Y230 HydrophobicContact CB-CD2 4.33Å; K190-Y230 HydrophobicContact CB-CG 4.26Å
191Q79.6Confident88.4Confident124 Ų12435.8 Ų35.858%0.57919%0.185SC*.Hα-helixtrans-83.6-8.7-178-65.5-179.13400113.3D187 R188 L193D187-Q191 WeakPolarHBondContact O-CG 3.33Å; D187-Q191 PolarHBondContact O-N 2.04Å; R188-Q191 PolarHBondContact O-N 3.31Å; Q191-L193 VanDerWaalsContact C-N 3.26Å; Q191-L193 HydrophobicContact CB-CD1 4.03Å; Q191-L193 HydrophobicContact CB-CD2 4.43Å; Q191-L193 HydrophobicContact CB-CG 3.68Å; Q191-L193 PolarHBondContact O-N 2.94Å
192G75.1Confident88.7Confident44 Ų4436.9 Ų36.945%0.45420%0.196SC..THydrogen-bonded Turntrans65.729-175.800000113.1R188 K190R188-G192 PolarHBondContact O-N 3.08Å; K190-G192 VanDerWaalsContact C-N 3.33Å
193L80.5Confident88.9Confident78 Ų7837 Ų3741%0.40820%0.198SC..PPolyproline II helixtrans-78.4165.7-178.7-64.7178.2000112.1R188 Q191 T195R188-L193 HydrophobicContact CB-CB 4.29Å; R188-L193 HydrophobicContact CG-CB 4.39Å; R188-L193 HydrophobicContact CG-CD1 4.5Å; R188-L193 PolarHBondContact O-N 3.13Å; R188-L193 VanDerWaalsContact O-N 3.1Å; Q191-L193 VanDerWaalsContact C-N 3.26Å; Q191-L193 HydrophobicContact CB-CD1 4.03Å; Q191-L193 HydrophobicContact CB-CD2 4.43Å; Q191-L193 HydrophobicContact CB-CG 3.68Å; Q191-L193 PolarHBondContact O-N 2.94Å; L193-T195 PolarHBondContact O-N 3.24Å
194E88.3Confident89.2Confident125 Ų12537.1 Ų37.158%0.58420%0.199SC*.PPolyproline II helixtrans-53.4132.5165.2-170-175.6176.500109.9R188R188-E194 WeakPolarHBondContact CD-O 3.29Å; R188-E194 PolarHBondContact NH1-O 3.1Å
195T93Very high89.8Confident19 Ų1936 Ų3612%0.11720%0.195CC..PPolyproline II helixtrans-95.2154.8-170.958.20000111.8W179 N183 L189 L193 Y234W179-T195 HydrophobicContact CH2-CG2 3.99Å; W179-T195 VanDerWaalsContact CZ2-CB 3.48Å; W179-T195 HydrophobicContact CZ2-CG2 3.52Å; W179-T195 WeakPolarHBondContact CZ2-OG1 3.27Å; N183-T195 VanDerWaalsContact OD1-CA 3.22Å; N183-T195 WeakPolarHBondContact OD1-CA 3.33Å; N183-T195 WeakPolarHBondContact OD1-CB 3.44Å; L189-T195 HydrophobicContact CD2-CG2 4.39Å; L193-T195 PolarHBondContact O-N 3.24Å; T195-Y234 HydrophobicContact CG2-CD1 4.41Å; T195-Y234 HydrophobicContact CG2-CE1 3.91Å
196T94.7Very high90.5Very high13 Ų1335.6 Ų35.68%0.0819%0.193CC..PPolyproline II helixtrans-93.3131.5174.7-62.50000108.6W179 V182 N183 R188 S343W179-T196 VanDerWaalsContact CD1-O 3.26Å; W179-T196 PolarHBondContact NE1-O 2.86Å; V182-T196 HydrophobicContact CG1-CG2 3.85Å; N183-T196 PolarHBondContact ND2-O 3.45Å; N183-T196 PolarHBondContact OD1-N 3.42Å; R188-T196 PolarHBondContact NE-OG1 2.99Å; T196-S343 CarbonylContact C-O 3.49Å; T196-S343 WeakPolarHBondContact CA-O 3.49Å; T196-S343 WeakPolarHBondContact CG2-O 3.45Å
197G96.8Very high91.3Very high2 Ų232.4 Ų32.42%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-64.6158.1171.400000111.8S209 S343 F344 G345G197-S209 CarbonylContact C-O 3.11Å; G197-S209 VanDerWaalsContact CA-O 3.28Å; G197-S209 WeakPolarHBondContact CA-O 3.4Å; G197-S343 PolarHBondContact N-O 3.31Å; G197-F344 CarbonylContact O-C 3.56Å; G197-F344 WeakPolarHBondContact O-CA 3.39Å; G197-G345 PolarHBondContact O-N 2.85Å
198A97.7Very high92.1Very high3 Ų329 Ų293%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-117.8132.8179.100000110.3W179 V182 I208 S209 F347W179-A198 HydrophobicContact CB-CB 3.87Å; V182-A198 HydrophobicContact CG2-CB 4.31Å; A198-I208 WeakPolarHBondContact O-CA 3.33Å; A198-S209 PolarHBondContact N-O 2.97Å; A198-S209 PolarHBondContact O-N 3.21Å; A198-F347 HydrophobicContact CB-CE1 3.89Å; A198-F347 HydrophobicContact CB-CZ 4.45Å
199L98.4Very high92.7Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-121.4115.2172.2-57172.6000108Q207 I208 F344 G345 A346 F347 Y350 L410 Y414 F416L199-Q207 WeakPolarHBondContact CA-O 3.3Å; L199-I208 HydrophobicContact CD2-CB 3.84Å; L199-I208 HydrophobicContact CD2-CD1 3.79Å; L199-I208 HydrophobicContact CD2-CG1 3.61Å; L199-F344 HydrophobicContact CD1-CB 4.01Å; L199-F344 HydrophobicContact CD1-CD1 4.27Å; L199-F344 HydrophobicContact CD1-CG 4.42Å; L199-F344 HydrophobicContact CD2-CD1 3.99Å; L199-F344 HydrophobicContact CD2-CE1 4.45Å; L199-F344 HydrophobicContact CG-CB 4.27Å; L199-F344 HydrophobicContact CG-CD1 3.91Å; L199-F344 HydrophobicContact CG-CG 4.49Å; L199-G345 PolarHBondContact N-O 3.15Å; L199-A346 HydrophobicContact CB-CB 4.03Å; L199-A346 HydrophobicContact CD1-CB 4.25Å; L199-A346 WeakPolarHBondContact O-CA 3.46Å; L199-F347 PolarHBondContact O-N 2.84Å; L199-Y350 HydrophobicContact CB-CD2 4.11Å; L199-Y350 HydrophobicContact CB-CE2 3.71Å; L199-L410 HydrophobicContact CD1-CD2 3.75Å; L199-Y414 HydrophobicContact CD2-CD2 4.16Å; L199-Y414 HydrophobicContact CD2-CE2 4.07Å; L199-F416 HydrophobicContact CD1-CE2 4.03Å; L199-F416 HydrophobicContact CD1-CZ 4.03Å
200D98.3Very high93.3Very high8 Ų826.2 Ų26.24%0.04315%0.147CC..EExtended strand (participates in β ladder)trans-112.4134.7177.8-165.6-3.8000109.7T206 Q207 F347 S348D200-T206 CarbonylContact O-C 3.49Å; D200-T206 WeakPolarHBondContact O-CA 3.36Å; D200-T206 WeakPolarHBondContact O-CB 2.98Å; D200-T206 PolarHBondContact O-OG1 2.84Å; D200-Q207 HydrophobicContact CB-CB 4.18Å; D200-Q207 PolarHBondContact N-O 3.49Å; D200-Q207 PolarHBondContact O-N 3.38Å; D200-F347 HydrophobicContact CB-CD2 4.37Å; D200-F347 HydrophobicContact CB-CE2 3.58Å; D200-F347 HydrophobicContact CB-CZ 3.66Å; D200-F347 WeakPolarHBondContact OD2-CE2 2.97Å; D200-S348 WeakPolarHBondContact OD1-CB 3.17Å; D200-S348 PolarHBondContact OD1-OG 3.4Å
201L98.4Very high94Very high1 Ų123.9 Ų23.91%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-127.1104.7174.4179.762.1000109.6K246 S348 A349 Y350 Y405 I406L201-K246 HydrophobicContact CD2-CB 4.4Å; L201-S348 VanDerWaalsContact O-CB 3.31Å; L201-S348 WeakPolarHBondContact O-CB 3.08Å; L201-A349 HydrophobicContact CB-CB 4.24Å; L201-A349 HydrophobicContact CD2-CB 4.1Å; L201-A349 HydrophobicContact CG-CB 3.96Å; L201-A349 WeakPolarHBondContact O-CB 3.14Å; L201-A349 PolarHBondContact O-N 3.02Å; L201-Y350 HydrophobicContact CB-CD1 4.44Å; L201-Y350 HydrophobicContact CB-CD2 3.44Å; L201-Y350 VanDerWaalsContact CB-CD2 3.44Å; L201-Y350 HydrophobicContact CB-CE1 4.48Å; L201-Y350 HydrophobicContact CB-CE2 3.48Å; L201-Y350 VanDerWaalsContact CB-CE2 3.48Å; L201-Y350 HydrophobicContact CB-CG 3.94Å; L201-Y350 HydrophobicContact CD2-CD1 4.28Å; L201-Y350 HydrophobicContact CD2-CE1 4.31Å; L201-Y350 HydrophobicContact CD2-CG 4.46Å; L201-Y405 HydrophobicContact CD1-CE1 3.95Å; L201-Y405 HydrophobicContact CD2-CE1 4.47Å; L201-I406 HydrophobicContact CD2-CD1 3.91Å; L201-I406 HydrophobicContact CD2-CG1 3.57Å
202G97Very high94.5Very high23 Ų2318.7 Ų18.724%0.23712%0.117CC..  trans-91.5-172.5171.700000112.9S205 G245 K246G202-S205 WeakPolarHBondContact CA-O 3.13Å; G202-S205 PolarHBondContact N-O 3.49Å; G202-G245 CarbonylContact O-C 3.58Å; G202-G245 WeakPolarHBondContact O-CA 3.41Å; G202-K246 PolarHBondContact O-N 2.95Å
203G96.4Very high94.8Very high7 Ų723.6 Ų23.67%0.07213%0.129CC..SBendtrans-75.5-34.1174.500000113.2S57 G245 K246 D247 Q248S57-G203 WeakPolarHBondContact OG-CA 3.32Å; G203-G245 CarbonylContact O-C 3.56Å; G203-G245 WeakPolarHBondContact O-CA 3.39Å; G203-K246 PolarHBondContact O-N 2.96Å; G203-D247 WeakPolarHBondContact CA-OD2 3.45Å; G203-D247 WeakPolarHBondContact O-CA 3.37Å; G203-D247 VanDerWaalsContact O-CB 3.32Å; G203-D247 WeakPolarHBondContact O-CB 3.3Å; G203-D247 PolarHBondContact O-N 2.81Å; G203-Q248 PolarHBondContact O-N 2.8Å; G203-Q248 VanDerWaalsContact O-N 3.13Å
204A98.1Very high94.3Very high1 Ų128.1 Ų28.11%0.00815%0.148CC..SBendtrans-116.9-14-173.900000116.1S57 A132 L136 C243 G245 Q248S57-A204 PolarHBondContact OG-N 2.79Å; A132-A204 HydrophobicContact CB-CB 3.54Å; L136-A204 HydrophobicContact CD1-CB 3.8Å; A204-C243 VanDerWaalsContact O-CA 3.3Å; A204-C243 WeakPolarHBondContact O-CA 3.22Å; A204-C243 PolarHBondContact O-N 3.14Å; A204-G245 PolarHBondContact O-N 2.66Å; A204-Q248 HydrophobicContact CB-CG 3.91Å
205S98.6Very high93.5Very high2 Ų223.9 Ų23.91%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-145.3168.8169.959.20000111.5A132 R135 G202 Q207 F241 G245A132-S205 VanDerWaalsContact CB-OG 3.25Å; A132-S205 WeakPolarHBondContact CB-OG 3.4Å; R135-S205 PolarHBondContact NH2-OG 3.1Å; R135-S205 VanDerWaalsContact NH2-OG 3.08Å; G202-S205 WeakPolarHBondContact CA-O 3.13Å; G202-S205 PolarHBondContact N-O 3.49Å; S205-Q207 PolarHBondContact OG-NE2 3.01Å; S205-F241 VanDerWaalsContact CA-O 3.28Å; S205-F241 WeakPolarHBondContact CA-O 3.49Å; S205-F241 WeakPolarHBondContact CB-O 3.42Å; S205-G245 WeakPolarHBondContact O-CA 3.31Å
206T98.8Very high92.8Very high0 Ų027.8 Ų27.80%015%0.146CC..EExtended strand (participates in β ladder)trans-133.2149.3166.9-174.90000109.4D200 S240 F241 Y244 Y350 L409 Y414D200-T206 CarbonylContact O-C 3.49Å; D200-T206 WeakPolarHBondContact O-CA 3.36Å; D200-T206 WeakPolarHBondContact O-CB 2.98Å; D200-T206 PolarHBondContact O-OG1 2.84Å; T206-S240 WeakPolarHBondContact O-CA 3.01Å; T206-F241 HydrophobicContact CG2-CB 4.03Å; T206-F241 HydrophobicContact CG2-CD2 4.34Å; T206-F241 PolarHBondContact N-O 2.84Å; T206-F241 PolarHBondContact O-N 2.83Å; T206-Y244 WeakPolarHBondContact CB-O 3.36Å; T206-Y244 VanDerWaalsContact CG2-O 3.27Å; T206-Y244 WeakPolarHBondContact CG2-O 3.44Å; T206-Y350 PolarHBondContact OG1-OH 3.22Å; T206-L409 HydrophobicContact CG2-CD2 3.95Å; T206-Y414 WeakPolarHBondContact CG2-OH 3.47Å; T206-Y414 PolarHBondContact OG1-OH 3.22Å
207Q98.6Very high92.1Very high1 Ų130.1 Ų30.11%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-127.6145.5-174.3-65.678.4-1.800110.2E174 L199 D200 S205 H239 S240E174-Q207 PolarHBondContact OE1-NE2 3.46Å; E174-Q207 PolarHBondContact OE2-NE2 3.47Å; L199-Q207 WeakPolarHBondContact CA-O 3.3Å; D200-Q207 HydrophobicContact CB-CB 4.18Å; D200-Q207 PolarHBondContact N-O 3.49Å; D200-Q207 PolarHBondContact O-N 3.38Å; S205-Q207 PolarHBondContact OG-NE2 3.01Å; Q207-H239 VanDerWaalsContact CA-O 3.29Å; Q207-H239 WeakPolarHBondContact CA-O 3.48Å; Q207-S240 PolarHBondContact NE2-OG 3.46Å
208I98.4Very high91.4Very high0 Ų034.1 Ų34.10%019%0.186CC..EExtended strand (participates in β ladder)trans-130.1127.8169.1177.5166000108.2A198 L199 F210 Y237 T238 H239 F241 L340 F344 Y414A198-I208 WeakPolarHBondContact O-CA 3.33Å; L199-I208 HydrophobicContact CD2-CB 3.84Å; L199-I208 HydrophobicContact CD2-CD1 3.79Å; L199-I208 HydrophobicContact CD2-CG1 3.61Å; I208-F210 HydrophobicContact CD1-CD1 4.31Å; I208-F210 HydrophobicContact CD1-CE1 3.98Å; I208-F210 HydrophobicContact CG1-CD1 3.95Å; I208-F210 HydrophobicContact CG1-CE1 4Å; I208-Y237 HydrophobicContact CG2-CE1 4.09Å; I208-T238 WeakPolarHBondContact O-CA 3.36Å; I208-H239 HydrophobicContact CG2-CB 4.46Å; I208-H239 PolarHBondContact N-O 3.33Å; I208-H239 VanDerWaalsContact N-O 3.08Å; I208-H239 PolarHBondContact O-N 3.24Å; I208-F241 HydrophobicContact CG2-CE2 4.06Å; I208-L340 HydrophobicContact CD1-CD2 3.88Å; I208-F344 HydrophobicContact CD1-CE1 4.33Å; I208-F344 HydrophobicContact CG1-CE1 4.33Å; I208-Y414 HydrophobicContact CB-CE1 4.46Å; I208-Y414 HydrophobicContact CB-CE2 4.39Å; I208-Y414 HydrophobicContact CD1-CD1 4.3Å; I208-Y414 HydrophobicContact CD1-CD2 4.2Å; I208-Y414 HydrophobicContact CD1-CG 4.06Å; I208-Y414 HydrophobicContact CG2-CE1 4.03Å
209S97.7Very high90.9Very high0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-142.5129.6-178.2-52.10000111.1G175 G197 A198 Y237 T238G175-S209 WeakPolarHBondContact CA-OG 3.3Å; G175-S209 PolarHBondContact O-OG 3.32Å; G197-S209 CarbonylContact C-O 3.11Å; G197-S209 VanDerWaalsContact CA-O 3.28Å; G197-S209 WeakPolarHBondContact CA-O 3.4Å; A198-S209 PolarHBondContact N-O 2.97Å; A198-S209 PolarHBondContact O-N 3.21Å; S209-Y237 CarbonylContact C-O 3.51Å; S209-Y237 VanDerWaalsContact CA-O 3.22Å; S209-Y237 WeakPolarHBondContact CA-O 3.12Å; S209-T238 WeakPolarHBondContact OG-CB 3.1Å; S209-T238 PolarHBondContact OG-OG1 3.45Å
210F96.1Very high90.4Very high3 Ų336.8 Ų36.81%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-161.1164.9177.960.4-81.7000111.3I208 P212 L236 Y237 P338 P339 L340 F344I208-F210 HydrophobicContact CD1-CD1 4.31Å; I208-F210 HydrophobicContact CD1-CE1 3.98Å; I208-F210 HydrophobicContact CG1-CD1 3.95Å; I208-F210 HydrophobicContact CG1-CE1 4Å; F210-P212 HydrophobicContact CD2-CB 4.48Å; F210-P212 HydrophobicContact CE2-CB 4.16Å; F210-P212 WeakPolarHBondContact O-CD 3.45Å; F210-L236 WeakPolarHBondContact O-CA 3.08Å; F210-Y237 AromaticContact CD1-CD1 3.87Å; F210-Y237 HydrophobicContact CD1-CD1 3.87Å; F210-Y237 HydrophobicContact CD1-CE1 4.48Å; F210-Y237 AromaticContact CE1-CD1 3.42Å; F210-Y237 HydrophobicContact CE1-CD1 3.42Å; F210-Y237 VanDerWaalsContact CE1-CD1 3.42Å; F210-Y237 AromaticContact CE1-CE1 3.81Å; F210-Y237 HydrophobicContact CE1-CE1 3.81Å; F210-Y237 HydrophobicContact CE1-CG 4.45Å; F210-Y237 AromaticContact CZ-CD1 3.97Å; F210-Y237 HydrophobicContact CZ-CD1 3.97Å; F210-Y237 HydrophobicContact CZ-CE1 4.48Å; F210-Y237 PolarHBondContact N-O 2.81Å; F210-Y237 PolarHBondContact O-N 3.19Å; F210-P338 HydrophobicContact CE2-CB 4.49Å; F210-P338 HydrophobicContact CE2-CG 3.97Å; F210-P338 HydrophobicContact CZ-CB 4.38Å; F210-P338 HydrophobicContact CZ-CG 3.66Å; F210-P339 WeakPolarHBondContact CE2-O 3.41Å; F210-L340 HydrophobicContact CE1-CD2 4.09Å; F210-L340 HydrophobicContact CZ-CD2 4.13Å; F210-F344 HydrophobicContact CB-CE1 3.92Å; F210-F344 HydrophobicContact CB-CZ 4.03Å; F210-F344 AromaticContact CD1-CE1 3.71Å; F210-F344 HydrophobicContact CD1-CE1 3.71Å; F210-F344 AromaticContact CD1-CZ 3.84Å; F210-F344 HydrophobicContact CD1-CZ 3.84Å; F210-F344 HydrophobicContact CD2-CZ 4.3Å; F210-F344 HydrophobicContact CE1-CE1 4.42Å; F210-F344 HydrophobicContact CE1-CZ 4.32Å; F210-F344 AromaticContact CG-CE1 3.95Å; F210-F344 HydrophobicContact CG-CE1 3.95Å; F210-F344 AromaticContact CG-CZ 3.82Å; F210-F344 HydrophobicContact CG-CZ 3.82Å
211V93.7Very high90Very high48 Ų4840.3 Ų40.329%0.29122%0.221SC..  trans-93.9107.2173.3178.90000108.7W179 Y234 L236W179-V211 HydrophobicContact CH2-CG2 4.27Å; W179-V211 HydrophobicContact CZ2-CG2 3.53Å; V211-Y234 HydrophobicContact CG2-CD1 4.49Å; V211-L236 HydrophobicContact CG2-CD1 4.25Å; V211-L236 HydrophobicContact CG2-CG 4.09Å
212P90.5Very high89.6Confident14 Ų1444 Ų449%0.09125%0.247CC..  trans-75.4144.3174.829.4-37.1000112.7F210 Y215 P338F210-P212 HydrophobicContact CD2-CB 4.48Å; F210-P212 HydrophobicContact CE2-CB 4.16Å; F210-P212 WeakPolarHBondContact O-CD 3.45Å; P212-Y215 HydrophobicContact CB-CG 4.43Å; P212-Y215 HydrophobicContact CG-CD1 3.62Å; P212-Y215 HydrophobicContact CG-CD2 4.33Å; P212-Y215 HydrophobicContact CG-CG 3.49Å; P212-Y215 VanDerWaalsContact CG-CG 3.49Å; P212-P338 HydrophobicContact CB-CB 4.02Å; P212-P338 HydrophobicContact CB-CG 4.09Å; P212-P338 HydrophobicContact CG-CG 4.26Å
213H80.1Confident89.4Confident148 Ų14843.3 Ų43.369%0.68524%0.238SC*.SBendtrans-70.1-47.3172.3-104-110.2000113.5Q341H213-Q341 PolarHBondContact CD2-NE2 3.16Å; H213-Q341 PolarHBondContact CD2-OE1 3.36Å; H213-Q341 VanDerWaalsContact N-OE1 3.15Å; H213-Q341 PolarHBondContact NE2-NE2 3.1Å
214E70.9Confident89.1Confident173 Ų17344.3 Ų44.381%0.80824%0.244SC*.SBendtrans-111.189.5-179.1-69.3-178.4-178.800108
215Y71.3Confident88.8Confident36 Ų3645.9 Ų45.914%0.14125%0.253CS..  trans-125.3105.9180-177.8-145.6000111.5P212 I217 S220 F336P212-Y215 HydrophobicContact CB-CG 4.43Å; P212-Y215 HydrophobicContact CG-CD1 3.62Å; P212-Y215 HydrophobicContact CG-CD2 4.33Å; P212-Y215 HydrophobicContact CG-CG 3.49Å; P212-Y215 VanDerWaalsContact CG-CG 3.49Å; Y215-I217 HydrophobicContact CD1-CG1 3.54Å; Y215-I217 HydrophobicContact CE1-CB 4.32Å; Y215-I217 HydrophobicContact CE1-CG1 3.5Å; Y215-I217 HydrophobicContact CG-CG1 4.21Å; Y215-I217 PolarHBondContact O-N 3.21Å; Y215-I217 VanDerWaalsContact O-N 3.12Å; Y215-S220 PolarHBondContact OH-O 3.29Å; Y215-F336 HydrophobicContact CD2-CE1 4.07Å; Y215-F336 HydrophobicContact CD2-CZ 4.18Å; Y215-F336 AromaticContact CE2-CE1 3.48Å; Y215-F336 HydrophobicContact CE2-CE1 3.48Å; Y215-F336 VanDerWaalsContact CE2-CE1 3.48Å; Y215-F336 AromaticContact CE2-CZ 3.99Å; Y215-F336 HydrophobicContact CE2-CZ 3.99Å
216D78.9Confident88.3Confident100 Ų10049 Ų4954%0.53528%0.279SS..  trans-75.894162-170-5.8000108.9S218 E219D216-S218 PolarHBondContact O-N 2.78Å; D216-S218 VanDerWaalsContact O-N 3.1Å; D216-S218 WeakPolarHBondContact OD1-CB 3.19Å; D216-S218 PolarHBondContact OD1-N 3.48Å; D216-S218 PolarHBondContact OD1-OG 2.98Å; D216-S218 PolarHBondContact OD2-OG 3.36Å; D216-S218 VanDerWaalsContact OD2-OG 3.13Å; D216-E219 WeakPolarHBondContact O-CB 3.28Å; D216-E219 PolarHBondContact O-N 3.4Å; D216-E219 VanDerWaalsContact O-N 3.09Å
217I79.9Confident87.5Confident63 Ų6350.1 Ų50.132%0.32328%0.284SS..G310 helixtrans-54.1-28.8176-65167.5000110.8Y215 E219 S220 P221 N235Y215-I217 HydrophobicContact CD1-CG1 3.54Å; Y215-I217 HydrophobicContact CE1-CB 4.32Å; Y215-I217 HydrophobicContact CE1-CG1 3.5Å; Y215-I217 HydrophobicContact CG-CG1 4.21Å; Y215-I217 PolarHBondContact O-N 3.21Å; Y215-I217 VanDerWaalsContact O-N 3.12Å; I217-E219 PolarHBondContact O-N 2.82Å; I217-S220 CarbonylContact O-C 3.6Å; I217-S220 VanDerWaalsContact O-C 3.28Å; I217-S220 PolarHBondContact O-N 3.26Å; I217-P221 WeakPolarHBondContact O-CA 3.25Å; I217-P221 WeakPolarHBondContact O-CD 3.22Å; I217-P221 WeakPolarHBondContact O-CG 3.3Å; I217-P221 VanDerWaalsContact O-N 3.07Å; I217-N235 HydrophobicContact CD1-CB 4.43Å
218S81.8Confident86.8Confident86 Ų8657.3 Ų57.360%0.60131%0.311SS*.G310 helixtrans-65.3-23.8-177.979.80000113.2D216 P221D216-S218 PolarHBondContact O-N 2.78Å; D216-S218 VanDerWaalsContact O-N 3.1Å; D216-S218 WeakPolarHBondContact OD1-CB 3.19Å; D216-S218 PolarHBondContact OD1-N 3.48Å; D216-S218 PolarHBondContact OD1-OG 2.98Å; D216-S218 PolarHBondContact OD2-OG 3.36Å; D216-S218 VanDerWaalsContact OD2-OG 3.13Å; S218-P221 WeakPolarHBondContact O-CD 3.37Å
219E86.6Confident86Confident57 Ų5757.5 Ų57.527%0.26631%0.312SS..G310 helixtrans-70.3-38.9179.4-176.9161.6-142.700112.1D216 I217 Y327 S328 F336D216-E219 WeakPolarHBondContact O-CB 3.28Å; D216-E219 PolarHBondContact O-N 3.4Å; D216-E219 VanDerWaalsContact O-N 3.09Å; I217-E219 PolarHBondContact O-N 2.82Å; E219-Y327 HydrophobicContact CG-CD1 3.66Å; E219-Y327 HydrophobicContact CG-CG 4.37Å; E219-Y327 WeakPolarHBondContact O-CD1 3.47Å; E219-Y327 WeakPolarHBondContact O-CE1 3.15Å; E219-Y327 WeakPolarHBondContact OE1-CA 3.49Å; E219-Y327 WeakPolarHBondContact OE1-CB 3.39Å; E219-S328 VanDerWaalsContact CD-OG 3.29Å; E219-S328 VanDerWaalsContact OE1-CB 3.23Å; E219-S328 WeakPolarHBondContact OE1-CB 3.39Å; E219-S328 PolarHBondContact OE1-N 2.79Å; E219-S328 PolarHBondContact OE1-OG 3.24Å; E219-S328 VanDerWaalsContact OE1-OG 3.11Å; E219-S328 PolarHBondContact OE2-OG 2.8Å; E219-F336 HydrophobicContact CG-CD2 4.01Å; E219-F336 HydrophobicContact CG-CE2 4.02Å; E219-F336 WeakPolarHBondContact OE2-CE2 3.02Å
220S88.6Confident85.1Confident1 Ų158.3 Ų58.31%0.00732%0.315CS..  trans-146.182170.5-171.50000112.2Y215 I217 S222 N223Y215-S220 PolarHBondContact OH-O 3.29Å; I217-S220 CarbonylContact O-C 3.6Å; I217-S220 VanDerWaalsContact O-C 3.28Å; I217-S220 PolarHBondContact O-N 3.26Å; S220-S222 PolarHBondContact O-N 2.95Å; S220-N223 PolarHBondContact O-N 3.28Å; S220-N223 VanDerWaalsContact O-N 3.11Å; S220-N223 PolarHBondContact OG-OD1 2.95Å
221P88.8Confident84.3Confident83 Ų8359.9 Ų59.954%0.53933%0.332SS..G310 helixtrans-62.2-30.7-179.6-23.733.7000112.5I217 S218 N223 S224I217-P221 WeakPolarHBondContact O-CA 3.25Å; I217-P221 WeakPolarHBondContact O-CD 3.22Å; I217-P221 WeakPolarHBondContact O-CG 3.3Å; I217-P221 VanDerWaalsContact O-N 3.07Å; S218-P221 WeakPolarHBondContact O-CD 3.37Å; P221-N223 PolarHBondContact O-N 2.74Å; P221-S224 WeakPolarHBondContact O-CB 3.4Å; P221-S224 PolarHBondContact O-N 3.4Å
222S90.4Very high83.8Confident79 Ų7960.3 Ų60.355%0.55233%0.333SS*.G310 helixtrans-68.9-12.8179.172.40000114.6Q172 S220Q172-S222 PolarHBondContact NE2-O 3.26Å; Q172-S222 VanDerWaalsContact NE2-O 3.08Å; S220-S222 PolarHBondContact O-N 2.95Å
223N92.6Very high83.6Confident7 Ų764.7 Ų64.74%0.03736%0.356CS..G310 helixtrans-103.86.8173.4-62124.6000112.8S220 P221 Y237 T238 H239S220-N223 PolarHBondContact O-N 3.28Å; S220-N223 VanDerWaalsContact O-N 3.11Å; S220-N223 PolarHBondContact OG-OD1 2.95Å; P221-N223 PolarHBondContact O-N 2.74Å; N223-Y237 HydrophobicContact CB-CD2 3.82Å; N223-Y237 HydrophobicContact CB-CE2 3.74Å; N223-Y237 CarbonylContact O-C 3.56Å; N223-Y237 WeakPolarHBondContact O-CA 3.2Å; N223-T238 WeakPolarHBondContact CA-O 3.26Å; N223-T238 WeakPolarHBondContact CB-O 3.25Å; N223-T238 PolarHBondContact ND2-O 2.85Å; N223-T238 PolarHBondContact O-N 2.99Å; N223-H239 PolarHBondContact ND2-ND1 3.34Å
224S91.2Very high84Confident28 Ų2858.6 Ų58.620%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-98.7132.2175.5-170.20000110.8P221 L236P221-S224 WeakPolarHBondContact O-CB 3.4Å; P221-S224 PolarHBondContact O-N 3.4Å; S224-L236 CarbonylContact C-O 3.48Å; S224-L236 VanDerWaalsContact CA-O 3.3Å; S224-L236 WeakPolarHBondContact CA-O 3.31Å
225V91.7Very high84.9Confident34 Ų3454.1 Ų54.121%0.20631%0.308CS..EExtended strand (participates in β ladder)trans-129.7129.4169.2176.80000108.9Q172 A176 F227 L236 T238Q172-V225 HydrophobicContact CB-CG2 3.98Å; A176-V225 HydrophobicContact CB-CB 4.33Å; A176-V225 HydrophobicContact CB-CG1 4.1Å; V225-F227 HydrophobicContact CB-CE2 4.38Å; V225-F227 HydrophobicContact CG1-CD2 4.24Å; V225-F227 HydrophobicContact CG1-CE1 4.21Å; V225-F227 HydrophobicContact CG1-CE2 3.49Å; V225-F227 VanDerWaalsContact CG1-CE2 3.49Å; V225-F227 HydrophobicContact CG1-CZ 3.47Å; V225-F227 VanDerWaalsContact CG1-CZ 3.47Å; V225-L236 PolarHBondContact N-O 2.91Å; V225-L236 PolarHBondContact O-N 3.28Å; V225-T238 HydrophobicContact CB-CG2 4.04Å; V225-T238 HydrophobicContact CG2-CG2 3.42Å; V225-T238 VanDerWaalsContact CG2-CG2 3.42Å
226A88.6Confident85.9Confident68 Ų6852.4 Ų52.456%0.56230%0.302SS*.EExtended strand (participates in β ladder)trans-104.6136.8178.900000111.4Y234A226-Y234 CarbonylContact C-O 3.58Å; A226-Y234 VanDerWaalsContact CA-O 3.25Å; A226-Y234 WeakPolarHBondContact CA-O 3.27Å
227F82.1Confident86.7Confident23 Ų2347.7 Ų47.710%0.10128%0.276CS..EExtended strand (participates in β ladder)trans-127.6154.2170.2-59.6-82.6000111.4A176 F177 V180 V225 L229 D233 Y234 L236A176-F227 HydrophobicContact CB-CE2 3.67Å; A176-F227 HydrophobicContact CB-CZ 3.52Å; F177-F227 HydrophobicContact CD1-CE1 4.37Å; F177-F227 AromaticContact CE1-CE1 3.98Å; F177-F227 HydrophobicContact CE1-CE1 3.98Å; V180-F227 HydrophobicContact CG2-CE2 4.43Å; V225-F227 HydrophobicContact CB-CE2 4.38Å; V225-F227 HydrophobicContact CG1-CD2 4.24Å; V225-F227 HydrophobicContact CG1-CE1 4.21Å; V225-F227 HydrophobicContact CG1-CE2 3.49Å; V225-F227 VanDerWaalsContact CG1-CE2 3.49Å; V225-F227 HydrophobicContact CG1-CZ 3.47Å; V225-F227 VanDerWaalsContact CG1-CZ 3.47Å; F227-L229 HydrophobicContact CB-CD1 4.18Å; F227-L229 HydrophobicContact CB-CG 4.08Å; F227-D233 CarbonylContact O-C 3.18Å; F227-D233 WeakPolarHBondContact O-CA 3.44Å; F227-Y234 PolarHBondContact N-O 2.92Å; F227-Y234 PolarHBondContact O-N 3.21Å; F227-L236 HydrophobicContact CD2-CD1 3.68Å; F227-L236 HydrophobicContact CD2-CD2 4.38Å; F227-L236 HydrophobicContact CE2-CD1 4.06Å; F227-L236 HydrophobicContact CE2-CD2 3.99Å
228R82.8Confident87.5Confident153 Ų15344.7 Ų44.758%0.57726%0.261SS*.EExtended strand (participates in β ladder)trans-118.3109.8162.3-170.6175.9-171.4102.1-1.3109.4N232 D233R228-N232 CarbonylContact C-O 3.56Å; R228-N232 VanDerWaalsContact CA-O 3.28Å; R228-N232 WeakPolarHBondContact CA-O 3.38Å; R228-D233 WeakPolarHBondContact CB-OD1 3.4Å; R228-D233 WeakPolarHBondContact CD-OD1 3.46Å; R228-D233 VanDerWaalsContact CG-OD1 3.26Å; R228-D233 WeakPolarHBondContact CG-OD1 3.49Å; R228-D233 IonicContact CZ-OD1 3.88Å; R228-D233 IonicContact CZ-OD2 2.69Å; R228-D233 IonicContact NE-OD1 2.89Å; R228-D233 IonicContact NH1-OD1 3.96Å; R228-D233 PolarHBondContact NH1-OD1 3.43Å; R228-D233 IonicContact NH1-OD2 2.64Å; R228-D233 PolarHBondContact NH1-OD2 3.46Å
229L81.9Confident88.3Confident3 Ų341.8 Ų41.82%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-127.9130.3-176.2-63.2172.2000109.7V180 L189 F227 G231 N232 Y234V180-L229 HydrophobicContact CB-CD1 4.41Å; V180-L229 HydrophobicContact CG1-CD1 3.83Å; V180-L229 HydrophobicContact CG2-CD1 3.69Å; L189-L229 HydrophobicContact CD1-CD1 3.92Å; F227-L229 HydrophobicContact CB-CD1 4.18Å; F227-L229 HydrophobicContact CB-CG 4.08Å; L229-G231 PolarHBondContact O-N 2.91Å; L229-N232 PolarHBondContact N-O 2.82Å; L229-N232 PolarHBondContact O-N 3.07Å; L229-Y234 HydrophobicContact CB-CE2 4.31Å
230Y79.6Confident88.9Confident18 Ų1839.7 Ų39.77%0.07123%0.23CC..THydrogen-bonded Turntrans53.920-174.7-58.8-76.6000115.2D72 N73 T75 G76 Y184 L189 K190D72-Y230 HydrophobicContact CB-CD1 4.3Å; D72-Y230 HydrophobicContact CB-CE1 4.31Å; N73-Y230 PolarHBondContact ND2-O 3.11Å; T75-Y230 VanDerWaalsContact CB-CE1 3.43Å; T75-Y230 HydrophobicContact CG2-CD1 4.21Å; T75-Y230 HydrophobicContact CG2-CD2 4.43Å; T75-Y230 HydrophobicContact CG2-CE1 3.58Å; T75-Y230 HydrophobicContact CG2-CE2 3.83Å; T75-Y230 WeakPolarHBondContact CG2-OH 3.27Å; T75-Y230 PolarHBondContact OG1-N 3.47Å; G76-Y230 PolarHBondContact O-OH 2.64Å; Y184-Y230 HydrophobicContact CD2-CE2 4.18Å; Y184-Y230 WeakPolarHBondContact CD2-OH 3.34Å; Y184-Y230 WeakPolarHBondContact CE2-OH 3.36Å; L189-Y230 HydrophobicContact CB-CD2 3.92Å; L189-Y230 HydrophobicContact CB-CE2 4.15Å; K190-Y230 HydrophobicContact CB-CD1 4.47Å; K190-Y230 HydrophobicContact CB-CD2 4.33Å; K190-Y230 HydrophobicContact CB-CG 4.26Å
231G79.6Confident89.3Confident36 Ų3640 Ų4037%0.37123%0.231SC..THydrogen-bonded Turntrans92.5-3.5-176.200000115.1L229L229-G231 PolarHBondContact O-N 2.91Å
232N82.6Confident89.8Confident57 Ų5738.5 Ų38.531%0.30522%0.218SC..EExtended strand (participates in β ladder)trans-96.5137.5177.1-60.7-52.8000111.1L189 R228 L229 Y234L189-N232 PolarHBondContact O-ND2 2.95Å; L189-N232 VanDerWaalsContact O-ND2 3.1Å; R228-N232 CarbonylContact C-O 3.56Å; R228-N232 VanDerWaalsContact CA-O 3.28Å; R228-N232 WeakPolarHBondContact CA-O 3.38Å; L229-N232 PolarHBondContact N-O 2.82Å; L229-N232 PolarHBondContact O-N 3.07Å; N232-Y234 HydrophobicContact CB-CD2 4.41Å; N232-Y234 HydrophobicContact CB-CE2 3.58Å
233D86.3Confident90.2Very high106 Ų10635.8 Ų35.857%0.56720%0.199SC*.EExtended strand (participates in β ladder)trans-93132.1175.9-60.9-46.8000110.2F227 R228F227-D233 CarbonylContact O-C 3.18Å; F227-D233 WeakPolarHBondContact O-CA 3.44Å; R228-D233 WeakPolarHBondContact CB-OD1 3.4Å; R228-D233 WeakPolarHBondContact CD-OD1 3.46Å; R228-D233 VanDerWaalsContact CG-OD1 3.26Å; R228-D233 WeakPolarHBondContact CG-OD1 3.49Å; R228-D233 IonicContact CZ-OD1 3.88Å; R228-D233 IonicContact CZ-OD2 2.69Å; R228-D233 IonicContact NE-OD1 2.89Å; R228-D233 IonicContact NH1-OD1 3.96Å; R228-D233 PolarHBondContact NH1-OD1 3.43Å; R228-D233 IonicContact NH1-OD2 2.64Å; R228-D233 PolarHBondContact NH1-OD2 3.46Å
234Y87.7Confident90.5Very high19 Ų1936.3 Ų36.38%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-127.3125.7-179.9-62-82.7000110.2W179 L189 T195 V211 A226 F227 L229 N232W179-Y234 AromaticContact CH2-CD1 3.64Å; W179-Y234 HydrophobicContact CH2-CD1 3.64Å; W179-Y234 HydrophobicContact CH2-CD2 4.28Å; W179-Y234 HydrophobicContact CH2-CE1 4.13Å; W179-Y234 AromaticContact CH2-CG 3.72Å; W179-Y234 HydrophobicContact CH2-CG 3.72Å; W179-Y234 HydrophobicContact CZ2-CD1 4.26Å; W179-Y234 HydrophobicContact CZ3-CG 4.38Å; L189-Y234 HydrophobicContact CD2-CE1 4.32Å; L189-Y234 HydrophobicContact CD2-CE2 4.01Å; L189-Y234 PolarHBondContact O-OH 3.03Å; T195-Y234 HydrophobicContact CG2-CD1 4.41Å; T195-Y234 HydrophobicContact CG2-CE1 3.91Å; V211-Y234 HydrophobicContact CG2-CD1 4.49Å; A226-Y234 CarbonylContact C-O 3.58Å; A226-Y234 VanDerWaalsContact CA-O 3.25Å; A226-Y234 WeakPolarHBondContact CA-O 3.27Å; F227-Y234 PolarHBondContact N-O 2.92Å; F227-Y234 PolarHBondContact O-N 3.21Å; L229-Y234 HydrophobicContact CB-CE2 4.31Å; N232-Y234 HydrophobicContact CB-CD2 4.41Å; N232-Y234 HydrophobicContact CB-CE2 3.58Å
235N90.3Very high90.8Very high80 Ų8035 Ų3543%0.42819%0.191SC..EExtended strand (participates in β ladder)trans-107.7104.5173.4-65.3-41.4000108.9I217I217-N235 HydrophobicContact CD1-CB 4.43Å
236L93.1Very high91.1Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-95.1139.6-176.4-70.269.1000109.8A176 W179 F210 V211 S224 V225 F227A176-L236 HydrophobicContact CB-CD2 4.4Å; W179-L236 HydrophobicContact CB-CD2 3.88Å; W179-L236 HydrophobicContact CD2-CD2 3.4Å; W179-L236 HydrophobicContact CD2-CG 4.09Å; W179-L236 HydrophobicContact CE3-CD1 4.27Å; W179-L236 HydrophobicContact CE3-CD2 3.5Å; W179-L236 VanDerWaalsContact CE3-CD2 3.5Å; W179-L236 HydrophobicContact CE3-CG 4.22Å; W179-L236 HydrophobicContact CG-CD2 3.59Å; W179-L236 HydrophobicContact CH2-CD1 4.2Å; W179-L236 HydrophobicContact CZ2-CD1 4.48Å; W179-L236 HydrophobicContact CZ2-CG 4.42Å; W179-L236 HydrophobicContact CZ3-CD1 4.09Å; W179-L236 HydrophobicContact CZ3-CD2 4.18Å; W179-L236 HydrophobicContact CZ3-CG 4.47Å; F210-L236 WeakPolarHBondContact O-CA 3.08Å; V211-L236 HydrophobicContact CG2-CD1 4.25Å; V211-L236 HydrophobicContact CG2-CG 4.09Å; S224-L236 CarbonylContact C-O 3.48Å; S224-L236 VanDerWaalsContact CA-O 3.3Å; S224-L236 WeakPolarHBondContact CA-O 3.31Å; V225-L236 PolarHBondContact N-O 2.91Å; V225-L236 PolarHBondContact O-N 3.28Å; F227-L236 HydrophobicContact CD2-CD1 3.68Å; F227-L236 HydrophobicContact CD2-CD2 4.38Å; F227-L236 HydrophobicContact CE2-CD1 4.06Å; F227-L236 HydrophobicContact CE2-CD2 3.99Å
237Y95.5Very high91.5Very high0 Ų033.6 Ų33.60%017%0.171CC..EExtended strand (participates in β ladder)trans-76.7134.4150.4166.2-95.1000108.7I208 S209 F210 N223 H239 F336 Q337 P338I208-Y237 HydrophobicContact CG2-CE1 4.09Å; S209-Y237 CarbonylContact C-O 3.51Å; S209-Y237 VanDerWaalsContact CA-O 3.22Å; S209-Y237 WeakPolarHBondContact CA-O 3.12Å; F210-Y237 AromaticContact CD1-CD1 3.87Å; F210-Y237 HydrophobicContact CD1-CD1 3.87Å; F210-Y237 HydrophobicContact CD1-CE1 4.48Å; F210-Y237 AromaticContact CE1-CD1 3.42Å; F210-Y237 HydrophobicContact CE1-CD1 3.42Å; F210-Y237 VanDerWaalsContact CE1-CD1 3.42Å; F210-Y237 AromaticContact CE1-CE1 3.81Å; F210-Y237 HydrophobicContact CE1-CE1 3.81Å; F210-Y237 HydrophobicContact CE1-CG 4.45Å; F210-Y237 AromaticContact CZ-CD1 3.97Å; F210-Y237 HydrophobicContact CZ-CD1 3.97Å; F210-Y237 HydrophobicContact CZ-CE1 4.48Å; F210-Y237 PolarHBondContact N-O 2.81Å; F210-Y237 PolarHBondContact O-N 3.19Å; N223-Y237 HydrophobicContact CB-CD2 3.82Å; N223-Y237 HydrophobicContact CB-CE2 3.74Å; N223-Y237 CarbonylContact O-C 3.56Å; N223-Y237 WeakPolarHBondContact O-CA 3.2Å; Y237-H239 HydrophobicContact CE1-CB 4.49Å; Y237-H239 WeakPolarHBondContact OH-CB 3.48Å; Y237-F336 HydrophobicContact CD2-CD1 4.18Å; Y237-F336 HydrophobicContact CD2-CE1 4.16Å; Y237-F336 AromaticContact CE2-CD1 3.95Å; Y237-F336 HydrophobicContact CE2-CD1 3.95Å; Y237-F336 HydrophobicContact CE2-CE1 4.33Å; Y237-F336 WeakPolarHBondContact CE2-O 3.08Å; Y237-F336 PolarHBondContact OH-O 2.94Å; Y237-Q337 HydrophobicContact CE1-CG 4.01Å; Y237-P338 HydrophobicContact CD1-CG 4.01Å; Y237-P338 HydrophobicContact CD2-CG 3.88Å; Y237-P338 VanDerWaalsContact CG-CD 3.47Å; Y237-P338 HydrophobicContact CG-CG 3.59Å
238T96.8Very high92.2Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-146.7135.4173.9-175.60000111.4Q172 A176 I208 S209 N223 V225Q172-T238 HydrophobicContact CB-CG2 3.79Å; Q172-T238 HydrophobicContact CG-CG2 3.92Å; Q172-T238 PolarHBondContact O-OG1 3.12Å; A176-T238 HydrophobicContact CB-CG2 4.46Å; I208-T238 WeakPolarHBondContact O-CA 3.36Å; S209-T238 WeakPolarHBondContact OG-CB 3.1Å; S209-T238 PolarHBondContact OG-OG1 3.45Å; N223-T238 WeakPolarHBondContact CA-O 3.26Å; N223-T238 WeakPolarHBondContact CB-O 3.25Å; N223-T238 PolarHBondContact ND2-O 2.85Å; N223-T238 PolarHBondContact O-N 2.99Å; V225-T238 HydrophobicContact CB-CG2 4.04Å; V225-T238 HydrophobicContact CG2-CG2 3.42Å; V225-T238 VanDerWaalsContact CG2-CG2 3.42Å
239H97.8Very high92.9Very high25 Ų2526.5 Ų26.512%0.11615%0.145CC..EExtended strand (participates in β ladder)trans-140143.5172.7-164.884.6000111.3Q207 I208 N223 Y237 F241 I335Q207-H239 VanDerWaalsContact CA-O 3.29Å; Q207-H239 WeakPolarHBondContact CA-O 3.48Å; I208-H239 HydrophobicContact CG2-CB 4.46Å; I208-H239 PolarHBondContact N-O 3.33Å; I208-H239 VanDerWaalsContact N-O 3.08Å; I208-H239 PolarHBondContact O-N 3.24Å; N223-H239 PolarHBondContact ND2-ND1 3.34Å; Y237-H239 HydrophobicContact CE1-CB 4.49Å; Y237-H239 WeakPolarHBondContact OH-CB 3.48Å; H239-F241 HydrophobicContact CB-CE2 4.32Å; H239-F241 AromaticContact CD2-CD1 3.75Å; H239-F241 AromaticContact CD2-CD2 3.62Å; H239-F241 AromaticContact CD2-CE1 3.61Å; H239-F241 AromaticContact CD2-CE2 3.44Å; H239-F241 VanDerWaalsContact CD2-CE2 3.44Å; H239-F241 WeakPolarHBondContact CD2-CE2 3.41Å; H239-F241 AromaticContact CD2-CG 3.75Å; H239-F241 AromaticContact CD2-CZ 3.44Å; H239-F241 VanDerWaalsContact CD2-CZ 3.44Å; H239-F241 WeakPolarHBondContact CD2-CZ 3.36Å; H239-F241 AromaticContact NE2-CD1 3.87Å; H239-F241 AromaticContact NE2-CE1 3.86Å; H239-I335 WeakPolarHBondContact CE1-CG2 3.46Å; H239-I335 WeakPolarHBondContact ND1-CG2 3.48Å
240S98.4Very high93.7Very high14 Ų1427 Ų2710%0.09815%0.148CC..EExtended strand (participates in β ladder)trans-118.5115.9173.5171.80000109.6R135 T206 Q207 L242R135-S240 PolarHBondContact NH1-OG 3.37Å; R135-S240 PolarHBondContact NH2-OG 3.13Å; T206-S240 WeakPolarHBondContact O-CA 3.01Å; Q207-S240 PolarHBondContact NE2-OG 3.46Å; S240-L242 PolarHBondContact O-N 2.84Å
241F98.5Very high94.5Very high7 Ų728.3 Ų28.33%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-85.792.6173.5-61.4-89.2000109.2S205 T206 I208 H239 Y244 S331 F332 I335 Y414S205-F241 VanDerWaalsContact CA-O 3.28Å; S205-F241 WeakPolarHBondContact CA-O 3.49Å; S205-F241 WeakPolarHBondContact CB-O 3.42Å; T206-F241 HydrophobicContact CG2-CB 4.03Å; T206-F241 HydrophobicContact CG2-CD2 4.34Å; T206-F241 PolarHBondContact N-O 2.84Å; T206-F241 PolarHBondContact O-N 2.83Å; I208-F241 HydrophobicContact CG2-CE2 4.06Å; H239-F241 HydrophobicContact CB-CE2 4.32Å; H239-F241 AromaticContact CD2-CD1 3.75Å; H239-F241 AromaticContact CD2-CD2 3.62Å; H239-F241 AromaticContact CD2-CE1 3.61Å; H239-F241 AromaticContact CD2-CE2 3.44Å; H239-F241 VanDerWaalsContact CD2-CE2 3.44Å; H239-F241 WeakPolarHBondContact CD2-CE2 3.41Å; H239-F241 AromaticContact CD2-CG 3.75Å; H239-F241 AromaticContact CD2-CZ 3.44Å; H239-F241 VanDerWaalsContact CD2-CZ 3.44Å; H239-F241 WeakPolarHBondContact CD2-CZ 3.36Å; H239-F241 AromaticContact NE2-CD1 3.87Å; H239-F241 AromaticContact NE2-CE1 3.86Å; F241-Y244 HydrophobicContact CB-CD2 3.86Å; F241-Y244 HydrophobicContact CB-CG 3.94Å; F241-Y244 WeakPolarHBondContact O-CB 3.43Å; F241-Y244 PolarHBondContact O-N 2.94Å; F241-Y244 VanDerWaalsContact O-N 3.15Å; F241-S331 WeakPolarHBondContact CZ-OG 3.38Å; F241-F332 HydrophobicContact CB-CE2 4.47Å; F241-F332 HydrophobicContact CB-CZ 4.12Å; F241-F332 HydrophobicContact CD1-CD2 4.18Å; F241-F332 HydrophobicContact CD1-CE1 4.02Å; F241-F332 AromaticContact CD1-CE2 3.33Å; F241-F332 HydrophobicContact CD1-CE2 3.33Å; F241-F332 AromaticContact CD1-CZ 3.24Å; F241-F332 HydrophobicContact CD1-CZ 3.24Å; F241-F332 HydrophobicContact CD2-CE1 4.39Å; F241-F332 AromaticContact CD2-CZ 3.99Å; F241-F332 HydrophobicContact CD2-CZ 3.99Å; F241-F332 HydrophobicContact CE1-CD1 4.24Å; F241-F332 HydrophobicContact CE1-CD2 4.12Å; F241-F332 AromaticContact CE1-CE1 3.8Å; F241-F332 HydrophobicContact CE1-CE1 3.8Å; F241-F332 AromaticContact CE1-CE2 3.66Å; F241-F332 HydrophobicContact CE1-CE2 3.66Å; F241-F332 HydrophobicContact CE1-CG 4.4Å; F241-F332 AromaticContact CE1-CZ 3.49Å; F241-F332 HydrophobicContact CE1-CZ 3.49Å; F241-F332 VanDerWaalsContact CE1-CZ 3.49Å; F241-F332 HydrophobicContact CE2-CE1 4.23Å; F241-F332 HydrophobicContact CE2-CZ 4.23Å; F241-F332 HydrophobicContact CG-CE1 4.3Å; F241-F332 AromaticContact CG-CE2 3.99Å; F241-F332 HydrophobicContact CG-CE2 3.99Å; F241-F332 AromaticContact CG-CZ 3.51Å; F241-F332 HydrophobicContact CG-CZ 3.51Å; F241-F332 HydrophobicContact CZ-CD1 4.45Å; F241-F332 AromaticContact CZ-CE1 3.92Å; F241-F332 HydrophobicContact CZ-CE1 3.92Å; F241-F332 AromaticContact CZ-CZ 4Å; F241-F332 HydrophobicContact CZ-CZ 4Å; F241-I335 HydrophobicContact CD1-CG1 4.47Å; F241-I335 HydrophobicContact CE1-CB 3.88Å; F241-I335 HydrophobicContact CE1-CG1 3.78Å; F241-I335 HydrophobicContact CE1-CG2 4Å; F241-I335 HydrophobicContact CZ-CB 4.24Å; F241-I335 HydrophobicContact CZ-CG2 3.96Å; F241-Y414 HydrophobicContact CD2-CE1 4.09Å; F241-Y414 AromaticContact CE2-CE1 3.58Å; F241-Y414 HydrophobicContact CE2-CE1 3.58Å; F241-Y414 HydrophobicContact CZ-CE1 4.27Å
242L98.4Very high95.4Very high52 Ų5227 Ų2727%0.27214%0.137SC..EExtended strand (participates in β ladder)trans-61.5145171.8-17164.4000109.9A132 R135 L136 I139 S240 Y244A132-L242 HydrophobicContact CB-CD1 3.66Å; R135-L242 HydrophobicContact CB-CD1 4.27Å; L136-L242 HydrophobicContact CD2-CD1 4.12Å; L136-L242 HydrophobicContact CD2-CD2 4.08Å; L136-L242 HydrophobicContact CD2-CG 4.04Å; L136-L242 HydrophobicContact CG-CD1 4.17Å; I139-L242 HydrophobicContact CD1-CD2 3.74Å; S240-L242 PolarHBondContact O-N 2.84Å; L242-Y244 WeakPolarHBondContact O-CD2 3.4Å; L242-Y244 PolarHBondContact O-N 3.12Å
243C98.2Very high96.1Very high22 Ų2224.2 Ų24.215%0.14912%0.122CC..THydrogen-bonded Turntrans69.4-7.7-169.3-59.60000115.5A204 G245 Q248 V249 M252 C288A204-C243 VanDerWaalsContact O-CA 3.3Å; A204-C243 WeakPolarHBondContact O-CA 3.22Å; A204-C243 PolarHBondContact O-N 3.14Å; C243-G245 VanDerWaalsContact C-N 3.33Å; C243-Q248 VanDerWaalsContact O-CB 3.25Å; C243-Q248 WeakPolarHBondContact O-CB 3.29Å; C243-V249 WeakPolarHBondContact O-CG2 3.46Å; C243-M252 HydrophobicContact CB-SD 3.94Å; C243-C288 VanDerWaalsContact CA-SG 3.54Å; C243-C288 HydrophobicContact CB-CB 3.64Å; C243-C288 WeakPolarHBondContact CB-SG 3.04Å; C243-C288 WeakPolarHBondContact SG-CA 3.44Å; C243-C288 WeakPolarHBondContact SG-CB 3.44Å; C243-C288 CovalentContact SG-SG 2.04Å; C243-C288 PolarHBondContact SG-SG 2.87Å
244Y98.6Very high96.6Very high18 Ų1819.4 Ų19.47%0.07110%0.097CC..  trans-95.222.1176.2-71.8-95.2000113.3T206 F241 L242 V249 L319 F320 F332 N333 Y405T206-Y244 WeakPolarHBondContact CB-O 3.36Å; T206-Y244 VanDerWaalsContact CG2-O 3.27Å; T206-Y244 WeakPolarHBondContact CG2-O 3.44Å; F241-Y244 HydrophobicContact CB-CD2 3.86Å; F241-Y244 HydrophobicContact CB-CG 3.94Å; F241-Y244 WeakPolarHBondContact O-CB 3.43Å; F241-Y244 PolarHBondContact O-N 2.94Å; F241-Y244 VanDerWaalsContact O-N 3.15Å; L242-Y244 WeakPolarHBondContact O-CD2 3.4Å; L242-Y244 PolarHBondContact O-N 3.12Å; Y244-V249 HydrophobicContact CD1-CG2 4.11Å; Y244-V249 HydrophobicContact CG-CG2 4.39Å; Y244-L319 PolarHBondContact OH-O 3.11Å; Y244-F320 HydrophobicContact CD1-CD1 4.21Å; Y244-F320 AromaticContact CD1-CE1 3.73Å; Y244-F320 HydrophobicContact CD1-CE1 3.73Å; Y244-F320 AromaticContact CE1-CD1 3.6Å; Y244-F320 HydrophobicContact CE1-CD1 3.6Å; Y244-F320 AromaticContact CE1-CE1 3.58Å; Y244-F320 HydrophobicContact CE1-CE1 3.58Å; Y244-F332 AromaticContact CD1-CE2 3.67Å; Y244-F332 HydrophobicContact CD1-CE2 3.67Å; Y244-F332 AromaticContact CD1-CZ 3.91Å; Y244-F332 HydrophobicContact CD1-CZ 3.91Å; Y244-F332 HydrophobicContact CD2-CE2 4.01Å; Y244-F332 HydrophobicContact CE1-CD2 4.17Å; Y244-F332 AromaticContact CE1-CE2 3.5Å; Y244-F332 HydrophobicContact CE1-CE2 3.5Å; Y244-F332 HydrophobicContact CE1-CZ 4.18Å; Y244-F332 AromaticContact CE2-CE2 3.87Å; Y244-F332 HydrophobicContact CE2-CE2 3.87Å; Y244-F332 AromaticContact CG-CE2 3.93Å; Y244-F332 HydrophobicContact CG-CE2 3.93Å; Y244-F332 HydrophobicContact CG-CZ 4.12Å; Y244-F332 AromaticContact CZ-CE2 3.62Å; Y244-N333 WeakPolarHBondContact CE2-ND2 3.34Å; Y244-N333 VanDerWaalsContact CZ-ND2 3.34Å; Y244-N333 PolarHBondContact OH-ND2 2.69Å; Y244-Y405 PolarHBondContact O-OH 2.84Å
245G98.4Very high97Very high0 Ų018.5 Ų18.50%09%0.093CC..SBendtrans-79.8155.2164.400000110.7G202 G203 A204 S205 C243 D247 Q248 V249G202-G245 CarbonylContact O-C 3.58Å; G202-G245 WeakPolarHBondContact O-CA 3.41Å; G203-G245 CarbonylContact O-C 3.56Å; G203-G245 WeakPolarHBondContact O-CA 3.39Å; A204-G245 PolarHBondContact O-N 2.66Å; S205-G245 WeakPolarHBondContact O-CA 3.31Å; C243-G245 VanDerWaalsContact C-N 3.33Å; G245-D247 PolarHBondContact O-N 3.08Å; G245-D247 VanDerWaalsContact O-N 3.1Å; G245-Q248 PolarHBondContact O-N 3.4Å; G245-Q248 VanDerWaalsContact O-N 3.1Å; G245-V249 WeakPolarHBondContact O-CG2 3.42Å; G245-V249 PolarHBondContact O-N 2.97Å
246K97.6Very high97.2Very high30 Ų3017.6 Ų17.613%0.139%0.086CC..Hα-helixtrans-57.8-34.2-169.271.8169.9-168.3690114.2L201 G202 G203 L250 A349 E398L201-K246 HydrophobicContact CD2-CB 4.4Å; G202-K246 PolarHBondContact O-N 2.95Å; G203-K246 PolarHBondContact O-N 2.96Å; K246-L250 WeakPolarHBondContact O-CB 3.42Å; K246-L250 PolarHBondContact O-N 3.44Å; K246-L250 VanDerWaalsContact O-N 3.12Å; K246-A349 HydrophobicContact CD-CB 3.84Å; K246-E398 IonicContact NZ-OE2 3.33Å; K246-E398 PolarHBondContact NZ-OE2 3.23Å
247D96.6Very high97.2Very high42 Ų4219.8 Ų19.823%0.22510%0.096CC..Hα-helixtrans-74.3-41.8-177.9-59.1-24.8000110S58 G203 G245 R251S58-D247 PolarHBondContact OG-OD2 3.11Å; G203-D247 WeakPolarHBondContact CA-OD2 3.45Å; G203-D247 WeakPolarHBondContact O-CA 3.37Å; G203-D247 VanDerWaalsContact O-CB 3.32Å; G203-D247 WeakPolarHBondContact O-CB 3.3Å; G203-D247 PolarHBondContact O-N 2.81Å; G245-D247 PolarHBondContact O-N 3.08Å; G245-D247 VanDerWaalsContact O-N 3.1Å; D247-R251 WeakPolarHBondContact O-CB 3.2Å; D247-R251 PolarHBondContact O-N 3.33Å; D247-R251 VanDerWaalsContact O-N 3.13Å
248Q97.9Very high97.2Very high27 Ų2719.8 Ų19.813%0.12610%0.096CC..Hα-helixtrans-73.8-34.8178.4-64.8-63.3-22.800112.2L136 G203 A204 C243 G245 R251 M252 S286L136-Q248 HydrophobicContact CD1-CG 4.05Å; G203-Q248 PolarHBondContact O-N 2.8Å; G203-Q248 VanDerWaalsContact O-N 3.13Å; A204-Q248 HydrophobicContact CB-CG 3.91Å; C243-Q248 VanDerWaalsContact O-CB 3.25Å; C243-Q248 WeakPolarHBondContact O-CB 3.29Å; G245-Q248 PolarHBondContact O-N 3.4Å; G245-Q248 VanDerWaalsContact O-N 3.1Å; Q248-R251 CarbonylContact O-C 3.53Å; Q248-R251 WeakPolarHBondContact O-CA 3.43Å; Q248-R251 VanDerWaalsContact O-CB 3.26Å; Q248-R251 WeakPolarHBondContact O-CB 3.44Å; Q248-R251 PolarHBondContact O-N 3.14Å; Q248-M252 VanDerWaalsContact O-CG 3.27Å; Q248-M252 WeakPolarHBondContact O-CG 3.47Å; Q248-M252 PolarHBondContact O-N 3.2Å; Q248-S286 PolarHBondContact OE1-OG 2.65Å
249V98Very high96.9Very high0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-68-41.1175.5173.80000111.1C243 Y244 G245 R251 M252 A253 L319 F401 Y405C243-V249 WeakPolarHBondContact O-CG2 3.46Å; Y244-V249 HydrophobicContact CD1-CG2 4.11Å; Y244-V249 HydrophobicContact CG-CG2 4.39Å; G245-V249 WeakPolarHBondContact O-CG2 3.42Å; G245-V249 PolarHBondContact O-N 2.97Å; V249-R251 PolarHBondContact O-N 3.22Å; V249-M252 PolarHBondContact O-N 3.31Å; V249-M252 VanDerWaalsContact O-N 3.16Å; V249-A253 WeakPolarHBondContact O-CB 3.41Å; V249-A253 PolarHBondContact O-N 2.86Å; V249-L319 HydrophobicContact CG1-CD1 3.59Å; V249-F401 HydrophobicContact CB-CZ 4.4Å; V249-F401 HydrophobicContact CG1-CE1 4.19Å; V249-F401 HydrophobicContact CG1-CZ 3.7Å; V249-Y405 HydrophobicContact CB-CD2 4.34Å; V249-Y405 HydrophobicContact CB-CE1 4.33Å; V249-Y405 HydrophobicContact CB-CE2 4.07Å; V249-Y405 HydrophobicContact CG1-CD1 4.42Å; V249-Y405 HydrophobicContact CG1-CD2 3.42Å; V249-Y405 VanDerWaalsContact CG1-CD2 3.42Å; V249-Y405 HydrophobicContact CG1-CE1 4.4Å; V249-Y405 HydrophobicContact CG1-CE2 3.4Å; V249-Y405 VanDerWaalsContact CG1-CE2 3.4Å; V249-Y405 HydrophobicContact CG1-CG 3.97Å; V249-Y405 HydrophobicContact CG2-CE1 4.17Å; V249-Y405 HydrophobicContact CG2-CE2 3.87Å
250L97.9Very high96.6Very high13 Ų1328.9 Ų28.97%0.06815%0.145CC..Hα-helixtrans-56.8-45.1171.1175.757.5000110.7K246 M252 A253 L254 F270 E398 F401K246-L250 WeakPolarHBondContact O-CB 3.42Å; K246-L250 PolarHBondContact O-N 3.44Å; K246-L250 VanDerWaalsContact O-N 3.12Å; L250-M252 VanDerWaalsContact C-N 3.34Å; L250-M252 PolarHBondContact O-N 2.82Å; L250-A253 PolarHBondContact O-N 2.84Å; L250-L254 HydrophobicContact CD1-CD1 4.17Å; L250-L254 HydrophobicContact CD1-CG 4.14Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 VanDerWaalsContact O-CG 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.39Å; L250-L254 PolarHBondContact O-N 3.07Å; L250-F270 HydrophobicContact CD1-CE2 3.83Å; L250-F270 HydrophobicContact CD1-CZ 3.8Å; L250-F270 HydrophobicContact CD2-CZ 4.32Å; L250-E398 HydrophobicContact CD2-CG 3.81Å; L250-F401 HydrophobicContact CB-CD1 3.79Å; L250-F401 HydrophobicContact CB-CE1 3.48Å; L250-F401 VanDerWaalsContact CB-CE1 3.48Å; L250-F401 HydrophobicContact CB-CZ 3.98Å; L250-F401 HydrophobicContact CD1-CB 4.33Å; L250-F401 HydrophobicContact CD1-CD1 3.82Å; L250-F401 HydrophobicContact CD1-CD2 3.84Å; L250-F401 HydrophobicContact CD1-CE1 4.11Å; L250-F401 HydrophobicContact CD1-CE2 4.12Å; L250-F401 HydrophobicContact CD1-CG 3.7Å; L250-F401 HydrophobicContact CD1-CZ 4.26Å; L250-F401 HydrophobicContact CG-CD1 4.27Å; L250-F401 HydrophobicContact CG-CE1 4.35Å
251R96.9Very high96.4Very high46 Ų4628.8 Ų28.817%0.17415%0.146CC..Hα-helixtrans-60.4-42.9176.6-157.9178.4-177.91562.9112.2D247 Q248 V249 A255 A282 L283 D285 V289D247-R251 WeakPolarHBondContact O-CB 3.2Å; D247-R251 PolarHBondContact O-N 3.33Å; D247-R251 VanDerWaalsContact O-N 3.13Å; Q248-R251 CarbonylContact O-C 3.53Å; Q248-R251 WeakPolarHBondContact O-CA 3.43Å; Q248-R251 VanDerWaalsContact O-CB 3.26Å; Q248-R251 WeakPolarHBondContact O-CB 3.44Å; Q248-R251 PolarHBondContact O-N 3.14Å; V249-R251 PolarHBondContact O-N 3.22Å; R251-A255 WeakPolarHBondContact O-CB 3.49Å; R251-A255 PolarHBondContact O-N 2.66Å; R251-A282 PolarHBondContact NH2-O 3.45Å; R251-L283 HydrophobicContact CG-CD1 3.81Å; R251-L283 WeakPolarHBondContact CG-O 3.32Å; R251-L283 PolarHBondContact NE-O 2.86Å; R251-L283 VanDerWaalsContact NH2-C 3.27Å; R251-L283 PolarHBondContact NH2-O 2.89Å; R251-D285 VanDerWaalsContact CZ-C 3.46Å; R251-D285 PolarHBondContact NH1-O 3.08Å; R251-D285 PolarHBondContact NH2-O 3.42Å; R251-V289 HydrophobicContact CG-CG1 4.48Å; R251-V289 HydrophobicContact CG-CG2 4.1Å
252M97.8Very high96.3Very high8 Ų830 Ų304%0.03915%0.154CC..Hα-helixtrans-64.6-40.8175.9-72170.762.800112.4C243 Q248 V249 L250 A255 H256 C288 V289 L319C243-M252 HydrophobicContact CB-SD 3.94Å; Q248-M252 VanDerWaalsContact O-CG 3.27Å; Q248-M252 WeakPolarHBondContact O-CG 3.47Å; Q248-M252 PolarHBondContact O-N 3.2Å; V249-M252 PolarHBondContact O-N 3.31Å; V249-M252 VanDerWaalsContact O-N 3.16Å; L250-M252 VanDerWaalsContact C-N 3.34Å; L250-M252 PolarHBondContact O-N 2.82Å; M252-A255 PolarHBondContact O-N 3.28Å; M252-H256 VanDerWaalsContact O-CB 3.31Å; M252-H256 WeakPolarHBondContact O-CB 3.35Å; M252-H256 PolarHBondContact O-N 2.74Å; M252-C288 HydrophobicContact CG-CB 4.38Å; M252-C288 HydrophobicContact SD-CB 4.5Å; M252-V289 HydrophobicContact CB-CG1 4.23Å; M252-V289 HydrophobicContact CG-CG1 3.69Å; M252-L319 HydrophobicContact CB-CD1 4.42Å; M252-L319 HydrophobicContact CB-CD2 4.2Å
253A97.5Very high96.2Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-62.6-48.3176.600000111.4V249 L250 H256 Q257 V315 L319 F401V249-A253 WeakPolarHBondContact O-CB 3.41Å; V249-A253 PolarHBondContact O-N 2.86Å; L250-A253 PolarHBondContact O-N 2.84Å; A253-H256 PolarHBondContact O-N 3.31Å; A253-Q257 WeakPolarHBondContact O-CG 3.42Å; A253-Q257 PolarHBondContact O-N 2.85Å; A253-Q257 VanDerWaalsContact O-N 3.14Å; A253-Q257 PolarHBondContact O-NE2 2.98Å; A253-V315 HydrophobicContact CB-CG1 4.16Å; A253-L319 HydrophobicContact CB-CD1 4.03Å; A253-F401 HydrophobicContact CB-CE2 3.62Å; A253-F401 HydrophobicContact CB-CZ 4.04Å
254L96.9Very high96.1Very high5 Ų535 Ų353%0.02619%0.187CC..Hα-helixtrans-61.5-49.4175.6-66.8175.9000110.4L250 H256 Q257 T258 M265 D267 F270 L283L250-L254 HydrophobicContact CD1-CD1 4.17Å; L250-L254 HydrophobicContact CD1-CG 4.14Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 VanDerWaalsContact O-CG 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.39Å; L250-L254 PolarHBondContact O-N 3.07Å; L254-H256 PolarHBondContact O-N 2.88Å; L254-Q257 PolarHBondContact O-N 2.97Å; L254-Q257 VanDerWaalsContact O-N 3.1Å; L254-T258 WeakPolarHBondContact O-CG2 3.49Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 3.39Å; L254-M265 HydrophobicContact CD2-CE 3.46Å; L254-M265 VanDerWaalsContact CD2-CE 3.46Å; L254-M265 HydrophobicContact CD2-SD 4.47Å; L254-D267 VanDerWaalsContact CD2-OD2 3.31Å; L254-D267 WeakPolarHBondContact CD2-OD2 3.4Å; L254-F270 HydrophobicContact CD2-CE2 4.43Å; L254-L283 HydrophobicContact CB-CD1 3.72Å; L254-L283 HydrophobicContact CB-CD2 4.1Å; L254-L283 HydrophobicContact CD1-CD1 4.12Å
255A96Very high96Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-61.8-29.6178.900000113.3R251 M252 R259 Y284 V289R251-A255 WeakPolarHBondContact O-CB 3.49Å; R251-A255 PolarHBondContact O-N 2.66Å; M252-A255 PolarHBondContact O-N 3.28Å; A255-R259 WeakPolarHBondContact O-CG 3.43Å; A255-R259 PolarHBondContact O-N 2.81Å; A255-Y284 WeakPolarHBondContact CA-OH 3.46Å; A255-Y284 HydrophobicContact CB-CD1 4.42Å; A255-Y284 HydrophobicContact CB-CE1 3.67Å; A255-Y284 PolarHBondContact O-OH 3.04Å; A255-V289 HydrophobicContact CB-CB 3.92Å; A255-V289 HydrophobicContact CB-CG1 3.67Å
256H93.8Very high95.9Very high61 Ų6138 Ų3828%0.28221%0.209SC..Hα-helixtrans-69.1-43.5174-175.185000111.6M252 A253 L254 R259 L319M252-H256 VanDerWaalsContact O-CB 3.31Å; M252-H256 WeakPolarHBondContact O-CB 3.35Å; M252-H256 PolarHBondContact O-N 2.74Å; A253-H256 PolarHBondContact O-N 3.31Å; L254-H256 PolarHBondContact O-N 2.88Å; H256-R259 VanDerWaalsContact ND1-CZ 3.27Å; H256-R259 PolarHBondContact ND1-NH2 3.39Å; H256-R259 WeakPolarHBondContact O-CG 3.25Å; H256-L319 HydrophobicContact CB-CD2 4.41Å
257Q93.6Very high95.9Very high46 Ų4636.7 Ų36.722%0.21520%0.203CC..Hα-helixtrans-74.2-25.1179.2-67.2177.591.200112.9A253 L254 M265 D267 V315A253-Q257 WeakPolarHBondContact O-CG 3.42Å; A253-Q257 PolarHBondContact O-N 2.85Å; A253-Q257 VanDerWaalsContact O-N 3.14Å; A253-Q257 PolarHBondContact O-NE2 2.98Å; L254-Q257 PolarHBondContact O-N 2.97Å; L254-Q257 VanDerWaalsContact O-N 3.1Å; Q257-M265 HydrophobicContact CB-CG 4.25Å; Q257-M265 HydrophobicContact CB-SD 3.52Å; Q257-M265 VanDerWaalsContact CB-SD 3.52Å; Q257-D267 PolarHBondContact NE2-OD2 3Å; Q257-V315 HydrophobicContact CG-CG1 4.39Å
258T94.8Very high96Very high0 Ų035.2 Ų35.20%020%0.196CC..THydrogen-bonded Turntrans-98.811.5-178.861.40000115.2L254 S260 G261 P262 M265 L283 Y284 P294 F301L254-T258 WeakPolarHBondContact O-CG2 3.49Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 3.39Å; T258-S260 PolarHBondContact O-N 2.78Å; T258-S260 VanDerWaalsContact O-N 3.13Å; T258-G261 PolarHBondContact O-N 3.19Å; T258-P262 HydrophobicContact CG2-CG 4.46Å; T258-M265 HydrophobicContact CG2-CG 4.33Å; T258-M265 HydrophobicContact CG2-SD 3.38Å; T258-M265 WeakPolarHBondContact CG2-SD 3.28Å; T258-L283 HydrophobicContact CG2-CD2 4.4Å; T258-Y284 PolarHBondContact OG1-OH 2.8Å; T258-P294 WeakPolarHBondContact O-CG 3.45Å; T258-F301 HydrophobicContact CG2-CD2 4.27Å; T258-F301 HydrophobicContact CG2-CE1 4.25Å; T258-F301 HydrophobicContact CG2-CE2 3.81Å; T258-F301 HydrophobicContact CG2-CZ 3.79Å
259R91.3Very high96Very high115 Ų11534 Ų3443%0.43419%0.19SC..THydrogen-bonded Turntrans-57.8-28.1-176.4-71.3-177.5-179.5174.6-0.4114.4A255 H256 G261 P294A255-R259 WeakPolarHBondContact O-CG 3.43Å; A255-R259 PolarHBondContact O-N 2.81Å; H256-R259 VanDerWaalsContact ND1-CZ 3.27Å; H256-R259 PolarHBondContact ND1-NH2 3.39Å; H256-R259 WeakPolarHBondContact O-CG 3.25Å; R259-G261 VanDerWaalsContact C-N 3.3Å; R259-P294 WeakPolarHBondContact O-CB 3.35Å; R259-P294 WeakPolarHBondContact O-CG 3.46Å
260S92.4Very high96Very high101 Ų10134 Ų3471%0.70619%0.191SC*.THydrogen-bonded Turntrans-84.61.5178.352.90000114.1T258T258-S260 PolarHBondContact O-N 2.78Å; T258-S260 VanDerWaalsContact O-N 3.13Å
261G94.1Very high96.1Very high11 Ų1133.4 Ų33.411%0.11319%0.187CC..  trans67.638.5-176.900000115.5T258 R259 Y280 P298T258-G261 PolarHBondContact O-N 3.19Å; R259-G261 VanDerWaalsContact C-N 3.3Å; G261-Y280 VanDerWaalsContact CA-OH 3.32Å; G261-Y280 WeakPolarHBondContact CA-OH 3.29Å; G261-P298 WeakPolarHBondContact O-CD 3.44Å
262P95.8Very high96.1Very high32 Ų3233 Ų3321%0.20819%0.191CC..  trans-65.5147.7-176.630.6-38.5000113.1T258 T264 Y280 F301T258-P262 HydrophobicContact CG2-CG 4.46Å; P262-T264 VanDerWaalsContact C-N 3.34Å; P262-Y280 WeakPolarHBondContact CD-OH 3.44Å; P262-Y280 PolarHBondContact O-OH 3.33Å; P262-Y280 VanDerWaalsContact O-OH 3.05Å; P262-F301 VanDerWaalsContact O-CB 3.28Å; P262-F301 WeakPolarHBondContact O-CB 3.37Å
263V96Very high96.1Very high99 Ų9935.8 Ų35.860%0.622%0.222SC*.SBendtrans-72.5-30.1172.5-178.50000111.7P298 F301 T302V263-P298 HydrophobicContact CG2-CG 4.38Å; V263-F301 CarbonylContact O-C 3.51Å; V263-F301 VanDerWaalsContact O-CA 3.28Å; V263-F301 WeakPolarHBondContact O-CA 3.34Å; V263-F301 WeakPolarHBondContact O-CB 3.36Å; V263-T302 PolarHBondContact O-N 2.91Å
264T96.1Very high96.1Very high82 Ų8236.8 Ų36.850%0.50323%0.226SC..EExtended strand (participates in β ladder)trans-134.4136.5178.9-56.80000109.9P262 T302P262-T264 VanDerWaalsContact C-N 3.34Å; T264-T302 CarbonylContact C-O 3.54Å; T264-T302 WeakPolarHBondContact CA-O 3.38Å
265M95.9Very high96.2Very high9 Ų940 Ų404%0.04425%0.248CC..EExtended strand (participates in β ladder)trans-127.7125.7178.3-170.9-165.174.400110.2L254 Q257 T258 D267 F301 T302 H303 T304L254-M265 HydrophobicContact CD2-CE 3.46Å; L254-M265 VanDerWaalsContact CD2-CE 3.46Å; L254-M265 HydrophobicContact CD2-SD 4.47Å; Q257-M265 HydrophobicContact CB-CG 4.25Å; Q257-M265 HydrophobicContact CB-SD 3.52Å; Q257-M265 VanDerWaalsContact CB-SD 3.52Å; T258-M265 HydrophobicContact CG2-CG 4.33Å; T258-M265 HydrophobicContact CG2-SD 3.38Å; T258-M265 WeakPolarHBondContact CG2-SD 3.28Å; M265-D267 HydrophobicContact CE-CB 3.86Å; M265-F301 HydrophobicContact CB-CD2 4.07Å; M265-F301 HydrophobicContact CB-CE2 4.21Å; M265-F301 HydrophobicContact CE-CE2 4.2Å; M265-F301 HydrophobicContact SD-CE2 4.3Å; M265-T302 PolarHBondContact N-O 3.33Å; M265-H303 WeakPolarHBondContact CE-CD2 3.44Å; M265-T304 PolarHBondContact O-N 2.94Å; M265-T304 PolarHBondContact O-OG1 2.67Å
266S97.1Very high96.2Very high72 Ų7242.2 Ų42.250%0.50326%0.262SS..EExtended strand (participates in β ladder)trans-94.9120.9172.3-59.60000110.3T304S266-T304 CarbonylContact C-O 3.51Å; S266-T304 WeakPolarHBondContact CA-O 3.31Å
267D97.8Very high96.4Very high1 Ų144 Ų441%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-115.3118.4-173.8-164.9-32.2000111.2L254 Q257 M265 C269 F270 H303 T304 G305 V306L254-D267 VanDerWaalsContact CD2-OD2 3.31Å; L254-D267 WeakPolarHBondContact CD2-OD2 3.4Å; Q257-D267 PolarHBondContact NE2-OD2 3Å; M265-D267 HydrophobicContact CE-CB 3.86Å; D267-C269 PolarHBondContact O-N 3.21Å; D267-C269 WeakPolarHBondContact OD1-CA 3.46Å; D267-C269 WeakPolarHBondContact OD1-CB 3.39Å; D267-C269 PolarHBondContact OD1-N 3.01Å; D267-F270 HydrophobicContact CB-CD2 4Å; D267-F270 PolarHBondContact O-N 2.93Å; D267-H303 WeakPolarHBondContact CB-NE2 3.46Å; D267-H303 IonicContact OD2-NE2 3.2Å; D267-H303 PolarHBondContact OD2-NE2 3.4Å; D267-T304 PolarHBondContact N-O 3.07Å; D267-G305 WeakPolarHBondContact O-CA 3.13Å; D267-V306 PolarHBondContact O-N 2.66Å
268P98.2Very high96.5Very high12 Ų1244.9 Ų44.98%0.07828%0.279CS..THydrogen-bonded Turntrans-67.8-16.8177.130-36000113.8F270 V306 N308 R311 C312 V315P268-F270 VanDerWaalsContact C-N 3.33Å; P268-V306 HydrophobicContact CB-CG2 4.13Å; P268-N308 HydrophobicContact CB-CB 4.19Å; P268-N308 PolarHBondContact O-N 3.5Å; P268-R311 HydrophobicContact CB-CB 3.58Å; P268-R311 HydrophobicContact CG-CB 3.94Å; P268-C312 HydrophobicContact CB-CB 4.34Å; P268-C312 HydrophobicContact CG-CB 4.42Å; P268-V315 HydrophobicContact CG-CG2 3.97Å
269C98.3Very high96.6Very high0 Ų047.1 Ų47.10%029%0.291CS..THydrogen-bonded Turntrans-85.6-1.5-178.4-61.30000114.6D267 C312 C400 F401D267-C269 PolarHBondContact O-N 3.21Å; D267-C269 WeakPolarHBondContact OD1-CA 3.46Å; D267-C269 WeakPolarHBondContact OD1-CB 3.39Å; D267-C269 PolarHBondContact OD1-N 3.01Å; C269-C312 WeakPolarHBondContact CA-SG 3.28Å; C269-C312 HydrophobicContact CB-CB 3.91Å; C269-C312 WeakPolarHBondContact CB-SG 3.49Å; C269-C312 WeakPolarHBondContact SG-CA 3.45Å; C269-C312 WeakPolarHBondContact SG-CB 3.44Å; C269-C312 CovalentContact SG-SG 2.03Å; C269-C312 PolarHBondContact SG-SG 3.35Å; C269-C400 WeakPolarHBondContact O-CB 3.5Å; C269-C400 PolarHBondContact O-SG 3.46Å; C269-F401 HydrophobicContact CB-CB 3.99Å; C269-F401 HydrophobicContact CB-CD2 3.73Å; C269-F401 HydrophobicContact CB-CG 4.37Å; C269-F401 PolarHBondContact O-N 3.47Å
270F98.4Very high96.7Very high1 Ų141.9 Ų41.90%0.00427%0.271CS..SBendtrans-118.8147176.9-73.4-97.9000110.6L250 L254 D267 P268 Y274 H303 G305 V306 G307 A397L250-F270 HydrophobicContact CD1-CE2 3.83Å; L250-F270 HydrophobicContact CD1-CZ 3.8Å; L250-F270 HydrophobicContact CD2-CZ 4.32Å; L254-F270 HydrophobicContact CD2-CE2 4.43Å; D267-F270 HydrophobicContact CB-CD2 4Å; D267-F270 PolarHBondContact O-N 2.93Å; P268-F270 VanDerWaalsContact C-N 3.33Å; F270-Y274 HydrophobicContact CB-CD1 3.82Å; F270-Y274 HydrophobicContact CB-CE1 4.42Å; F270-Y274 HydrophobicContact CB-CG 4.3Å; F270-Y274 AromaticContact CD1-CD1 3.69Å; F270-Y274 HydrophobicContact CD1-CD1 3.69Å; F270-Y274 AromaticContact CD1-CE1 3.48Å; F270-Y274 HydrophobicContact CD1-CE1 3.48Å; F270-Y274 VanDerWaalsContact CD1-CE1 3.48Å; F270-Y274 HydrophobicContact CD1-CE2 4.43Å; F270-Y274 HydrophobicContact CD1-CG 4.24Å; F270-Y274 AromaticContact CD1-CZ 3.88Å; F270-Y274 AromaticContact CE1-CE1 3.99Å; F270-Y274 HydrophobicContact CE1-CE1 3.99Å; F270-Y274 AromaticContact CG-CD1 4Å; F270-Y274 HydrophobicContact CG-CD1 4Å; F270-Y274 HydrophobicContact CG-CE1 4.09Å; F270-H303 AromaticContact CD1-CE1 3.9Å; F270-H303 AromaticContact CD2-CE1 3.34Å; F270-H303 WeakPolarHBondContact CD2-CE1 3.42Å; F270-H303 AromaticContact CD2-NE2 3.42Å; F270-H303 WeakPolarHBondContact CD2-NE2 3.38Å; F270-H303 AromaticContact CE1-CE1 3.93Å; F270-H303 AromaticContact CE2-CE1 3.37Å; F270-H303 WeakPolarHBondContact CE2-CE1 3.32Å; F270-H303 AromaticContact CE2-NE2 3.78Å; F270-H303 AromaticContact CG-CE1 3.61Å; F270-H303 AromaticContact CG-NE2 3.86Å; F270-H303 AromaticContact CZ-CE1 3.68Å; F270-G305 CarbonylContact O-C 3.52Å; F270-G305 VanDerWaalsContact O-CA 3.27Å; F270-G305 WeakPolarHBondContact O-CA 3.45Å; F270-V306 PolarHBondContact O-N 3.46Å; F270-V306 VanDerWaalsContact O-N 3.16Å; F270-G307 VanDerWaalsContact O-CA 3.3Å; F270-G307 WeakPolarHBondContact O-CA 3.39Å; F270-G307 PolarHBondContact O-N 3.1Å; F270-A397 HydrophobicContact CD1-CB 4.37Å; F270-A397 VanDerWaalsContact CD1-O 3.32Å; F270-A397 WeakPolarHBondContact CD1-O 3.47Å; F270-A397 HydrophobicContact CE1-CB 4.26Å; F270-A397 VanDerWaalsContact CE1-O 3.31Å; F270-A397 WeakPolarHBondContact CE1-O 3.24Å
271H98.6Very high96.8Very high0 Ų041 Ų410%026%0.258CS..  trans-57.3147.8-175-65.8-80.7000113.3G273 Y274 G305 Y376 T379 W381H271-G273 PolarHBondContact O-N 3.32Å; H271-Y274 WeakPolarHBondContact O-CB 3.39Å; H271-Y274 PolarHBondContact O-N 2.84Å; H271-G305 CarbonylContact O-C 3.53Å; H271-G305 WeakPolarHBondContact O-CA 3.49Å; H271-Y376 AromaticContact CE1-CD1 3.67Å; H271-Y376 AromaticContact CE1-CE1 3.26Å; H271-Y376 WeakPolarHBondContact CE1-CE1 3.32Å; H271-Y376 AromaticContact CE1-CZ 3.61Å; H271-Y376 PolarHBondContact CE1-O 3.01Å; H271-Y376 PolarHBondContact ND1-O 2.83Å; H271-Y376 AromaticContact NE2-CE1 3.29Å; H271-Y376 VanDerWaalsContact NE2-CE1 3.29Å; H271-Y376 WeakPolarHBondContact NE2-CE1 3.45Å; H271-Y376 AromaticContact NE2-CZ 3.58Å; H271-Y376 PolarHBondContact NE2-OH 2.86Å; H271-T379 WeakPolarHBondContact CB-O 3.18Å; H271-T379 PolarHBondContact ND1-O 2.79Å; H271-W381 HydrophobicContact CB-CB 4.04Å; H271-W381 HydrophobicContact CB-CE3 4.14Å; H271-W381 AromaticContact CD2-CE3 3.82Å
272P98.6Very high96.7Very high37 Ų3743.5 Ų43.524%0.2428%0.278CS..THydrogen-bonded Turntrans-57.4132.2175.1-20.633.6000111.1Y274 G305 C377 T379 W381P272-Y274 VanDerWaalsContact C-N 3.27Å; P272-Y274 PolarHBondContact O-N 2.84Å; P272-G305 WeakPolarHBondContact CA-O 3.37Å; P272-C377 WeakPolarHBondContact CD-O 3.37Å; P272-T379 WeakPolarHBondContact CD-O 3.38Å; P272-W381 PolarHBondContact O-N 2.59Å
273G97.2Very high96.7Very high67 Ų6742.5 Ų42.569%0.69127%0.271SS*.THydrogen-bonded Turntrans81-0.7-178.100000114.8H271 S275 G305H271-G273 PolarHBondContact O-N 3.32Å; G273-S275 PolarHBondContact O-N 2.88Å; G273-G305 PolarHBondContact N-O 3.22Å
274Y98Very high96.7Very high21 Ų2138.1 Ų38.18%0.08224%0.244CC..  trans-64.9130.7164178.6-98.4000109.3F270 H271 P272 V276 H303 T304 G305 W381 A397F270-Y274 HydrophobicContact CB-CD1 3.82Å; F270-Y274 HydrophobicContact CB-CE1 4.42Å; F270-Y274 HydrophobicContact CB-CG 4.3Å; F270-Y274 AromaticContact CD1-CD1 3.69Å; F270-Y274 HydrophobicContact CD1-CD1 3.69Å; F270-Y274 AromaticContact CD1-CE1 3.48Å; F270-Y274 HydrophobicContact CD1-CE1 3.48Å; F270-Y274 VanDerWaalsContact CD1-CE1 3.48Å; F270-Y274 HydrophobicContact CD1-CE2 4.43Å; F270-Y274 HydrophobicContact CD1-CG 4.24Å; F270-Y274 AromaticContact CD1-CZ 3.88Å; F270-Y274 AromaticContact CE1-CE1 3.99Å; F270-Y274 HydrophobicContact CE1-CE1 3.99Å; F270-Y274 AromaticContact CG-CD1 4Å; F270-Y274 HydrophobicContact CG-CD1 4Å; F270-Y274 HydrophobicContact CG-CE1 4.09Å; H271-Y274 WeakPolarHBondContact O-CB 3.39Å; H271-Y274 PolarHBondContact O-N 2.84Å; P272-Y274 VanDerWaalsContact C-N 3.27Å; P272-Y274 PolarHBondContact O-N 2.84Å; Y274-V276 HydrophobicContact CE1-CG1 4.17Å; Y274-V276 HydrophobicContact CE1-CG2 3.67Å; Y274-V276 HydrophobicContact CE2-CG1 3.97Å; Y274-V276 WeakPolarHBondContact OH-CG1 3.35Å; Y274-V276 WeakPolarHBondContact OH-CG2 3.1Å; Y274-H303 AromaticContact CE1-CE1 3.75Å; Y274-H303 AromaticContact CE1-ND1 3.67Å; Y274-T304 CarbonylContact O-C 3.56Å; Y274-T304 VanDerWaalsContact O-CA 3.26Å; Y274-T304 WeakPolarHBondContact O-CA 3.39Å; Y274-G305 PolarHBondContact O-N 3.23Å; Y274-W381 AromaticContact CD2-CD2 3.92Å; Y274-W381 HydrophobicContact CD2-CD2 3.92Å; Y274-W381 AromaticContact CD2-CE2 3.73Å; Y274-W381 HydrophobicContact CD2-CE3 4.42Å; Y274-W381 HydrophobicContact CD2-CG 4.21Å; Y274-W381 HydrophobicContact CD2-CZ2 4.11Å; Y274-W381 AromaticContact CD2-NE1 3.87Å; Y274-W381 HydrophobicContact CE2-CZ2 4.29Å; Y274-A397 HydrophobicContact CD2-CB 4.19Å; Y274-A397 HydrophobicContact CE2-CB 3.55Å
275S97.4Very high96.5Very high72 Ų7239.4 Ų39.450%0.50325%0.247SC..EExtended strand (participates in β ladder)trans-149.3124.6177.2-171.50000110.8G273 H303G273-S275 PolarHBondContact O-N 2.88Å; S275-H303 WeakPolarHBondContact CA-O 3.44Å
276V97Very high96.3Very high47 Ų4739.2 Ų39.229%0.28525%0.247SC..EExtended strand (participates in β ladder)trans-143.8149.4176.4-62.50000111.1Y274 R278 H303Y274-V276 HydrophobicContact CE1-CG1 4.17Å; Y274-V276 HydrophobicContact CE1-CG2 3.67Å; Y274-V276 HydrophobicContact CE2-CG1 3.97Å; Y274-V276 WeakPolarHBondContact OH-CG1 3.35Å; Y274-V276 WeakPolarHBondContact OH-CG2 3.1Å; V276-R278 HydrophobicContact CG2-CG 4.12Å; V276-H303 HydrophobicContact CG2-CB 4.11Å; V276-H303 PolarHBondContact N-O 2.93Å; V276-H303 PolarHBondContact O-N 3.38Å
277T97.4Very high96.2Very high100 Ų10037.6 Ų37.661%0.61324%0.235SC*.EExtended strand (participates in β ladder)trans-84.4128168.9-54.30000109.7N300 F301T277-N300 HydrophobicContact CG2-CB 3.66Å; T277-F301 WeakPolarHBondContact CA-O 3.29Å
278R96.3Very high96.2Very high64 Ų6438.2 Ų38.224%0.24224%0.239CC..EExtended strand (participates in β ladder)trans-116.3147.8176-67-166-176.4-80.92.7110.8V276 N300 F301 H303V276-R278 HydrophobicContact CG2-CG 4.12Å; R278-N300 CarbonylContact O-C 3.51Å; R278-N300 WeakPolarHBondContact O-CA 3.22Å; R278-N300 WeakPolarHBondContact O-CB 3.14Å; R278-F301 HydrophobicContact CB-CD1 4.08Å; R278-F301 HydrophobicContact CB-CE1 3.52Å; R278-F301 HydrophobicContact CB-CE2 4.14Å; R278-F301 HydrophobicContact CB-CZ 3.56Å; R278-F301 HydrophobicContact CG-CZ 4.18Å; R278-F301 PolarHBondContact N-O 3Å; R278-F301 PolarHBondContact O-N 2.76Å; R278-H303 HydrophobicContact CG-CB 4.18Å; R278-H303 PolarHBondContact NE-ND1 3.44Å
279N96.1Very high96Very high47 Ų4737.7 Ų37.725%0.25124%0.236SC..EExtended strand (participates in β ladder)trans-95.6133.3177.7-178.3-90.6000111N281 A282 L283 L299 N300N279-N281 WeakPolarHBondContact OD1-CA 3.14Å; N279-N281 VanDerWaalsContact OD1-CB 3.29Å; N279-N281 WeakPolarHBondContact OD1-CB 3.32Å; N279-N281 PolarHBondContact OD1-N 2.91Å; N279-A282 HydrophobicContact CB-CB 4.04Å; N279-A282 PolarHBondContact O-N 3.11Å; N279-A282 PolarHBondContact OD1-N 3.16Å; N279-L283 WeakPolarHBondContact O-CB 3.16Å; N279-L283 PolarHBondContact O-N 3.03Å; N279-L299 WeakPolarHBondContact ND2-CD1 3.21Å; N279-L299 PolarHBondContact ND2-O 2.74Å; N279-N300 WeakPolarHBondContact CA-OD1 3.29Å; N279-N300 WeakPolarHBondContact CB-OD1 3.47Å; N279-N300 PolarHBondContact ND2-OD1 3.4Å
280Y94.9Very high95.7Very high4 Ų440.3 Ų40.32%0.01625%0.254CS..Hα-helixtrans-65.4-42.6179.5-91.4-83000112.5G261 P262 A282 L283 Y284 P294 A297 P298 L299 F301G261-Y280 VanDerWaalsContact CA-OH 3.32Å; G261-Y280 WeakPolarHBondContact CA-OH 3.29Å; P262-Y280 WeakPolarHBondContact CD-OH 3.44Å; P262-Y280 PolarHBondContact O-OH 3.33Å; P262-Y280 VanDerWaalsContact O-OH 3.05Å; Y280-A282 VanDerWaalsContact C-N 3.34Å; Y280-A282 PolarHBondContact O-N 3.32Å; Y280-L283 PolarHBondContact O-N 3.43Å; Y280-L283 VanDerWaalsContact O-N 3.13Å; Y280-Y284 AromaticContact CD1-CD2 3.99Å; Y280-Y284 HydrophobicContact CD1-CD2 3.99Å; Y280-Y284 AromaticContact CD1-CE2 3.59Å; Y280-Y284 HydrophobicContact CD1-CE2 3.59Å; Y280-Y284 AromaticContact CE1-CE2 3.97Å; Y280-Y284 HydrophobicContact CE1-CE2 3.97Å; Y280-Y284 VanDerWaalsContact O-CD2 3.29Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.28Å; Y280-Y284 PolarHBondContact O-N 3.02Å; Y280-P294 HydrophobicContact CD1-CG 4.4Å; Y280-P294 HydrophobicContact CE1-CG 3.99Å; Y280-A297 HydrophobicContact CD1-CB 4.11Å; Y280-A297 HydrophobicContact CD2-CB 4.08Å; Y280-A297 HydrophobicContact CE1-CB 4.13Å; Y280-A297 HydrophobicContact CE2-CB 4.05Å; Y280-A297 HydrophobicContact CG-CB 4.11Å; Y280-P298 HydrophobicContact CD2-CG 4.47Å; Y280-P298 WeakPolarHBondContact CD2-O 2.85Å; Y280-P298 HydrophobicContact CE2-CG 3.97Å; Y280-L299 PolarHBondContact N-O 2.91Å; Y280-F301 AromaticContact CD2-CD1 3.78Å; Y280-F301 HydrophobicContact CD2-CD1 3.78Å; Y280-F301 HydrophobicContact CE1-CD1 4.41Å; Y280-F301 HydrophobicContact CE2-CB 3.82Å; Y280-F301 AromaticContact CE2-CD1 3.46Å; Y280-F301 HydrophobicContact CE2-CD1 3.46Å; Y280-F301 VanDerWaalsContact CE2-CD1 3.46Å; Y280-F301 HydrophobicContact CE2-CE1 4.37Å; Y280-F301 AromaticContact CE2-CG 3.99Å; Y280-F301 HydrophobicContact CE2-CG 3.99Å; Y280-F301 HydrophobicContact CG-CD1 4.39Å; Y280-F301 AromaticContact CZ-CD1 3.78Å
281N93.3Very high95.3Very high82 Ų8249.2 Ų49.244%0.43930%0.295SS..Hα-helixtrans-61.2-47.4178.9-62.6-28000110.3N279 L283 Y284 D285 K293N279-N281 WeakPolarHBondContact OD1-CA 3.14Å; N279-N281 VanDerWaalsContact OD1-CB 3.29Å; N279-N281 WeakPolarHBondContact OD1-CB 3.32Å; N279-N281 PolarHBondContact OD1-N 2.91Å; N281-L283 VanDerWaalsContact C-N 3.26Å; N281-L283 PolarHBondContact O-N 3.13Å; N281-Y284 PolarHBondContact O-N 3.01Å; N281-Y284 VanDerWaalsContact O-N 3.09Å; N281-D285 WeakPolarHBondContact O-CB 3.25Å; N281-D285 PolarHBondContact O-N 2.95Å; N281-K293 WeakPolarHBondContact OD1-CE 3.41Å; N281-K293 PolarHBondContact OD1-NZ 3.08Å
282A93.4Very high94.7Very high64 Ų6453.7 Ų53.753%0.52931%0.313SS..Hα-helixtrans-65-25176.600000113.8R251 N279 Y280R251-A282 PolarHBondContact NH2-O 3.45Å; N279-A282 HydrophobicContact CB-CB 4.04Å; N279-A282 PolarHBondContact O-N 3.11Å; N279-A282 PolarHBondContact OD1-N 3.16Å; Y280-A282 VanDerWaalsContact C-N 3.34Å; Y280-A282 PolarHBondContact O-N 3.32Å
283L95.3Very high94.3Very high12 Ų1256.8 Ų56.86%0.06332%0.322CS..Hα-helixtrans-78.2-28.8173.3176.961.6000112.2R251 L254 T258 N279 Y280 N281 V289 F301R251-L283 HydrophobicContact CG-CD1 3.81Å; R251-L283 WeakPolarHBondContact CG-O 3.32Å; R251-L283 PolarHBondContact NE-O 2.86Å; R251-L283 VanDerWaalsContact NH2-C 3.27Å; R251-L283 PolarHBondContact NH2-O 2.89Å; L254-L283 HydrophobicContact CB-CD1 3.72Å; L254-L283 HydrophobicContact CB-CD2 4.1Å; L254-L283 HydrophobicContact CD1-CD1 4.12Å; T258-L283 HydrophobicContact CG2-CD2 4.4Å; N279-L283 WeakPolarHBondContact O-CB 3.16Å; N279-L283 PolarHBondContact O-N 3.03Å; Y280-L283 PolarHBondContact O-N 3.43Å; Y280-L283 VanDerWaalsContact O-N 3.13Å; N281-L283 VanDerWaalsContact C-N 3.26Å; N281-L283 PolarHBondContact O-N 3.13Å; L283-V289 WeakPolarHBondContact O-CG2 3.48Å; L283-F301 HydrophobicContact CD2-CE1 3.9Å; L283-F301 HydrophobicContact CD2-CZ 3.9Å
284Y95Very high93.9Very high7 Ų754.3 Ų54.33%0.02729%0.294CS..Hα-helixtrans-106.7-6.3-174.7-73.9-90.4000115A255 T258 Y280 N281 S286 V289 S290 R292 K293A255-Y284 WeakPolarHBondContact CA-OH 3.46Å; A255-Y284 HydrophobicContact CB-CD1 4.42Å; A255-Y284 HydrophobicContact CB-CE1 3.67Å; A255-Y284 PolarHBondContact O-OH 3.04Å; T258-Y284 PolarHBondContact OG1-OH 2.8Å; Y280-Y284 AromaticContact CD1-CD2 3.99Å; Y280-Y284 HydrophobicContact CD1-CD2 3.99Å; Y280-Y284 AromaticContact CD1-CE2 3.59Å; Y280-Y284 HydrophobicContact CD1-CE2 3.59Å; Y280-Y284 AromaticContact CE1-CE2 3.97Å; Y280-Y284 HydrophobicContact CE1-CE2 3.97Å; Y280-Y284 VanDerWaalsContact O-CD2 3.29Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.28Å; Y280-Y284 PolarHBondContact O-N 3.02Å; N281-Y284 PolarHBondContact O-N 3.01Å; N281-Y284 VanDerWaalsContact O-N 3.09Å; Y284-S286 PolarHBondContact O-N 2.9Å; Y284-V289 HydrophobicContact CD1-CB 4.29Å; Y284-V289 HydrophobicContact CD1-CG2 4.48Å; Y284-V289 VanDerWaalsContact CD1-O 3.28Å; Y284-V289 WeakPolarHBondContact CD1-O 3.42Å; Y284-S290 VanDerWaalsContact O-CA 3.25Å; Y284-S290 WeakPolarHBondContact O-CA 3.42Å; Y284-S290 WeakPolarHBondContact O-CB 3.34Å; Y284-R292 HydrophobicContact CE1-CB 4.01Å; Y284-R292 WeakPolarHBondContact CE1-O 3.46Å; Y284-K293 VanDerWaalsContact CD1-CA 3.43Å; Y284-K293 HydrophobicContact CD1-CB 3.76Å; Y284-K293 HydrophobicContact CD1-CG 4.29Å; Y284-K293 HydrophobicContact CD2-CG 4.27Å; Y284-K293 VanDerWaalsContact CE1-CA 3.49Å; Y284-K293 HydrophobicContact CE1-CB 4.32Å; Y284-K293 HydrophobicContact CG-CB 3.91Å; Y284-K293 HydrophobicContact CG-CG 3.96Å
285D91.6Very high93.4Very high108 Ų10863.6 Ų63.658%0.57834%0.335SS*.  trans-65.156.2168.2-174.835.5000114.8R251 N281R251-D285 VanDerWaalsContact CZ-C 3.46Å; R251-D285 PolarHBondContact NH1-O 3.08Å; R251-D285 PolarHBondContact NH2-O 3.42Å; N281-D285 WeakPolarHBondContact O-CB 3.25Å; N281-D285 PolarHBondContact O-N 2.95Å
286S93.4Very high93Very high5 Ų568.6 Ų68.64%0.03535%0.35CS..SBendtrans-159140172.1162.70000109.5Q248 Y284 C288 V289 S290Q248-S286 PolarHBondContact OE1-OG 2.65Å; Y284-S286 PolarHBondContact O-N 2.9Å; S286-C288 PolarHBondContact O-N 2.86Å; S286-C288 PolarHBondContact OG-N 2.96Å; S286-V289 PolarHBondContact O-N 2.85Å; S286-S290 WeakPolarHBondContact O-CB 3.42Å; S286-S290 PolarHBondContact O-N 3.28Å; S286-S290 PolarHBondContact O-OG 2.95Å
287P94.6Very high92.6Very high38 Ų3868.5 Ų68.525%0.24735%0.354CS..THydrogen-bonded Turntrans-54.1-25.1174.3-2836.2000114.3L136 I139 E140 V289L136-P287 HydrophobicContact CD2-CB 4.34Å; I139-P287 HydrophobicContact CG2-CB 4.34Å; E140-P287 HydrophobicContact CB-CG 3.75Å; E140-P287 HydrophobicContact CG-CG 4.33Å; P287-V289 PolarHBondContact O-N 3.08Å
288C96.6Very high92.4Very high14 Ų1466.1 Ų66.110%0.09534%0.341CS..THydrogen-bonded Turntrans-69.2-17.8-179.8-57.70000113.9C243 M252 S286C243-C288 VanDerWaalsContact CA-SG 3.54Å; C243-C288 HydrophobicContact CB-CB 3.64Å; C243-C288 WeakPolarHBondContact CB-SG 3.04Å; C243-C288 WeakPolarHBondContact SG-CA 3.44Å; C243-C288 WeakPolarHBondContact SG-CB 3.44Å; C243-C288 CovalentContact SG-SG 2.04Å; C243-C288 PolarHBondContact SG-SG 2.87Å; M252-C288 HydrophobicContact CG-CB 4.38Å; M252-C288 HydrophobicContact SD-CB 4.5Å; S286-C288 PolarHBondContact O-N 2.86Å; S286-C288 PolarHBondContact OG-N 2.96Å
289V95.7Very high92.3Very high1 Ų168.5 Ų68.51%0.00636%0.357CS..THydrogen-bonded Turntrans-141.4-14.6-172.5-67.90000114.5R251 M252 A255 L283 Y284 S286 P287 E291 R292R251-V289 HydrophobicContact CG-CG1 4.48Å; R251-V289 HydrophobicContact CG-CG2 4.1Å; M252-V289 HydrophobicContact CB-CG1 4.23Å; M252-V289 HydrophobicContact CG-CG1 3.69Å; A255-V289 HydrophobicContact CB-CB 3.92Å; A255-V289 HydrophobicContact CB-CG1 3.67Å; L283-V289 WeakPolarHBondContact O-CG2 3.48Å; Y284-V289 HydrophobicContact CD1-CB 4.29Å; Y284-V289 HydrophobicContact CD1-CG2 4.48Å; Y284-V289 VanDerWaalsContact CD1-O 3.28Å; Y284-V289 WeakPolarHBondContact CD1-O 3.42Å; S286-V289 PolarHBondContact O-N 2.85Å; P287-V289 PolarHBondContact O-N 3.08Å; V289-E291 VanDerWaalsContact C-N 3.29Å; V289-E291 PolarHBondContact O-N 3.46Å; V289-E291 VanDerWaalsContact O-N 3.16Å; V289-R292 WeakPolarHBondContact O-CA 3.34Å; V289-R292 WeakPolarHBondContact O-CB 3.44Å; V289-R292 PolarHBondContact O-N 3.12Å
290S92Very high92.3Very high55 Ų5569.3 Ų69.339%0.38536%0.362SS..G310 helixtrans-51.6-42.1-170.955.70000114Y284 S286 R292 K293Y284-S290 VanDerWaalsContact O-CA 3.25Å; Y284-S290 WeakPolarHBondContact O-CA 3.42Å; Y284-S290 WeakPolarHBondContact O-CB 3.34Å; S286-S290 WeakPolarHBondContact O-CB 3.42Å; S286-S290 PolarHBondContact O-N 3.28Å; S286-S290 PolarHBondContact O-OG 2.95Å; S290-R292 PolarHBondContact O-N 3.35Å; S290-R292 VanDerWaalsContact O-N 3.15Å; S290-K293 WeakPolarHBondContact O-CB 3.48Å; S290-K293 PolarHBondContact O-N 3.33Å
291E88.1Confident92.4Very high188 Ų18869.2 Ų69.288%0.87936%0.362SS*.G310 helixtrans-64.9-17.2178.7-60.3-176166.200114V289V289-E291 VanDerWaalsContact C-N 3.29Å; V289-E291 PolarHBondContact O-N 3.46Å; V289-E291 VanDerWaalsContact O-N 3.16Å
292R87.3Confident92.6Very high95 Ų9567.7 Ų67.736%0.35836%0.355SS..G310 helixtrans-95.26.4-177-55.8174.5179.9-178.21.1112.6Y284 V289 S290Y284-R292 HydrophobicContact CE1-CB 4.01Å; Y284-R292 WeakPolarHBondContact CE1-O 3.46Å; V289-R292 WeakPolarHBondContact O-CA 3.34Å; V289-R292 WeakPolarHBondContact O-CB 3.44Å; V289-R292 PolarHBondContact O-N 3.12Å; S290-R292 PolarHBondContact O-N 3.35Å; S290-R292 VanDerWaalsContact O-N 3.15Å
293K89.5Confident92.8Very high101 Ų10164.6 Ų64.644%0.43933%0.33SS..  trans-62.5129.7-178.3-169.7-178.7-178.6-178.10110.1N281 Y284 S290N281-K293 WeakPolarHBondContact OD1-CE 3.41Å; N281-K293 PolarHBondContact OD1-NZ 3.08Å; Y284-K293 VanDerWaalsContact CD1-CA 3.43Å; Y284-K293 HydrophobicContact CD1-CB 3.76Å; Y284-K293 HydrophobicContact CD1-CG 4.29Å; Y284-K293 HydrophobicContact CD2-CG 4.27Å; Y284-K293 VanDerWaalsContact CE1-CA 3.49Å; Y284-K293 HydrophobicContact CE1-CB 4.32Å; Y284-K293 HydrophobicContact CG-CB 3.91Å; Y284-K293 HydrophobicContact CG-CG 3.96Å; S290-K293 WeakPolarHBondContact O-CB 3.48Å; S290-K293 PolarHBondContact O-N 3.33Å
294P89.8Confident93Very high16 Ų1665.7 Ų65.710%0.10434%0.337CS..  trans-60.3140174.5-16.727.4000110.5T258 R259 Y280 E296 A297T258-P294 WeakPolarHBondContact O-CG 3.45Å; R259-P294 WeakPolarHBondContact O-CB 3.35Å; R259-P294 WeakPolarHBondContact O-CG 3.46Å; Y280-P294 HydrophobicContact CD1-CG 4.4Å; Y280-P294 HydrophobicContact CE1-CG 3.99Å; P294-E296 VanDerWaalsContact C-N 3.32Å; P294-A297 HydrophobicContact CB-CB 4.01Å; P294-A297 HydrophobicContact CG-CB 4.23Å
295K86.6Confident93.1Very high216 Ų21665.7 Ų65.794%0.93934%0.339SS*.SBendtrans-64.2-40.6177.5-68.9-175.2178.4-178.40111.7
296E88.6Confident93.4Very high177 Ų17763.8 Ų63.883%0.82733%0.331SS*.SBendtrans-123.6112.8177.4-66.7178-168.200107.8P294P294-E296 VanDerWaalsContact C-N 3.32Å
297A89.5Confident93.7Very high45 Ų4564 Ų6437%0.37234%0.335SS..  trans-146.5150.5174.700000109.1Y280 P294Y280-A297 HydrophobicContact CD1-CB 4.11Å; Y280-A297 HydrophobicContact CD2-CB 4.08Å; Y280-A297 HydrophobicContact CE1-CB 4.13Å; Y280-A297 HydrophobicContact CE2-CB 4.05Å; Y280-A297 HydrophobicContact CG-CB 4.11Å; P294-A297 HydrophobicContact CB-CB 4.01Å; P294-A297 HydrophobicContact CG-CB 4.23Å
298P92.7Very high93.8Very high50 Ų5065 Ų6533%0.32534%0.338SS..  trans-60.8164.116929.1-35.5000110.3G261 V263 Y280 N300G261-P298 WeakPolarHBondContact O-CD 3.44Å; V263-P298 HydrophobicContact CG2-CG 4.38Å; Y280-P298 HydrophobicContact CD2-CG 4.47Å; Y280-P298 WeakPolarHBondContact CD2-O 2.85Å; Y280-P298 HydrophobicContact CE2-CG 3.97Å; P298-N300 WeakPolarHBondContact CB-O 3.25Å; P298-N300 VanDerWaalsContact CG-O 3.31Å; P298-N300 WeakPolarHBondContact CG-O 3.24Å; P298-N300 PolarHBondContact O-N 3.33Å
299L94.2Very high93.9Very high113 Ų11364.5 Ų64.559%0.59233%0.334SS*.SBendtrans-58.3-39.6174.2-179.563.9000111.4N279 Y280N279-L299 WeakPolarHBondContact ND2-CD1 3.21Å; N279-L299 PolarHBondContact ND2-O 2.74Å; Y280-L299 PolarHBondContact N-O 2.91Å
300N96.9Very high94Very high65 Ų6570.3 Ų70.335%0.34836%0.359SS..EExtended strand (participates in β ladder)trans-134.6156.3-174.4-60-39.1000111.6T277 R278 N279 P298T277-N300 HydrophobicContact CG2-CB 3.66Å; R278-N300 CarbonylContact O-C 3.51Å; R278-N300 WeakPolarHBondContact O-CA 3.22Å; R278-N300 WeakPolarHBondContact O-CB 3.14Å; N279-N300 WeakPolarHBondContact CA-OD1 3.29Å; N279-N300 WeakPolarHBondContact CB-OD1 3.47Å; N279-N300 PolarHBondContact ND2-OD1 3.4Å; P298-N300 WeakPolarHBondContact CB-O 3.25Å; P298-N300 VanDerWaalsContact CG-O 3.31Å; P298-N300 WeakPolarHBondContact CG-O 3.24Å; P298-N300 PolarHBondContact O-N 3.33Å
301F96.8Very high94.3Very high2 Ų275.7 Ų75.71%0.00937%0.371CS..EExtended strand (participates in β ladder)trans-130.8154.9169.567-80000111.2T258 P262 V263 M265 T277 R278 Y280 L283 H303T258-F301 HydrophobicContact CG2-CD2 4.27Å; T258-F301 HydrophobicContact CG2-CE1 4.25Å; T258-F301 HydrophobicContact CG2-CE2 3.81Å; T258-F301 HydrophobicContact CG2-CZ 3.79Å; P262-F301 VanDerWaalsContact O-CB 3.28Å; P262-F301 WeakPolarHBondContact O-CB 3.37Å; V263-F301 CarbonylContact O-C 3.51Å; V263-F301 VanDerWaalsContact O-CA 3.28Å; V263-F301 WeakPolarHBondContact O-CA 3.34Å; V263-F301 WeakPolarHBondContact O-CB 3.36Å; M265-F301 HydrophobicContact CB-CD2 4.07Å; M265-F301 HydrophobicContact CB-CE2 4.21Å; M265-F301 HydrophobicContact CE-CE2 4.2Å; M265-F301 HydrophobicContact SD-CE2 4.3Å; T277-F301 WeakPolarHBondContact CA-O 3.29Å; R278-F301 HydrophobicContact CB-CD1 4.08Å; R278-F301 HydrophobicContact CB-CE1 3.52Å; R278-F301 HydrophobicContact CB-CE2 4.14Å; R278-F301 HydrophobicContact CB-CZ 3.56Å; R278-F301 HydrophobicContact CG-CZ 4.18Å; R278-F301 PolarHBondContact N-O 3Å; R278-F301 PolarHBondContact O-N 2.76Å; Y280-F301 AromaticContact CD2-CD1 3.78Å; Y280-F301 HydrophobicContact CD2-CD1 3.78Å; Y280-F301 HydrophobicContact CE1-CD1 4.41Å; Y280-F301 HydrophobicContact CE2-CB 3.82Å; Y280-F301 AromaticContact CE2-CD1 3.46Å; Y280-F301 HydrophobicContact CE2-CD1 3.46Å; Y280-F301 VanDerWaalsContact CE2-CD1 3.46Å; Y280-F301 HydrophobicContact CE2-CE1 4.37Å; Y280-F301 AromaticContact CE2-CG 3.99Å; Y280-F301 HydrophobicContact CE2-CG 3.99Å; Y280-F301 HydrophobicContact CG-CD1 4.39Å; Y280-F301 AromaticContact CZ-CD1 3.78Å; L283-F301 HydrophobicContact CD2-CE1 3.9Å; L283-F301 HydrophobicContact CD2-CZ 3.9Å; F301-H303 HydrophobicContact CD2-CB 4.27Å; F301-H303 HydrophobicContact CE2-CB 3.87Å
302T98.1Very high94.8Very high49 Ų4966.8 Ų66.830%0.30133%0.33SS..EExtended strand (participates in β ladder)trans-88.7119173.8-54.40000109.1V263 T264 M265 T304V263-T302 PolarHBondContact O-N 2.91Å; T264-T302 CarbonylContact C-O 3.54Å; T264-T302 WeakPolarHBondContact CA-O 3.38Å; M265-T302 PolarHBondContact N-O 3.33Å; T302-T304 HydrophobicContact CG2-CG2 4.04Å
303H97.6Very high95.4Very high0 Ų063 Ų630%032%0.316CS..EExtended strand (participates in β ladder)trans-102.5115.1179.1174-143.4000109.7M265 D267 F270 Y274 S275 V276 R278 F301M265-H303 WeakPolarHBondContact CE-CD2 3.44Å; D267-H303 WeakPolarHBondContact CB-NE2 3.46Å; D267-H303 IonicContact OD2-NE2 3.2Å; D267-H303 PolarHBondContact OD2-NE2 3.4Å; F270-H303 AromaticContact CD1-CE1 3.9Å; F270-H303 AromaticContact CD2-CE1 3.34Å; F270-H303 WeakPolarHBondContact CD2-CE1 3.42Å; F270-H303 AromaticContact CD2-NE2 3.42Å; F270-H303 WeakPolarHBondContact CD2-NE2 3.38Å; F270-H303 AromaticContact CE1-CE1 3.93Å; F270-H303 AromaticContact CE2-CE1 3.37Å; F270-H303 WeakPolarHBondContact CE2-CE1 3.32Å; F270-H303 AromaticContact CE2-NE2 3.78Å; F270-H303 AromaticContact CG-CE1 3.61Å; F270-H303 AromaticContact CG-NE2 3.86Å; F270-H303 AromaticContact CZ-CE1 3.68Å; Y274-H303 AromaticContact CE1-CE1 3.75Å; Y274-H303 AromaticContact CE1-ND1 3.67Å; S275-H303 WeakPolarHBondContact CA-O 3.44Å; V276-H303 HydrophobicContact CG2-CB 4.11Å; V276-H303 PolarHBondContact N-O 2.93Å; V276-H303 PolarHBondContact O-N 3.38Å; R278-H303 HydrophobicContact CG-CB 4.18Å; R278-H303 PolarHBondContact NE-ND1 3.44Å; F301-H303 HydrophobicContact CD2-CB 4.27Å; F301-H303 HydrophobicContact CE2-CB 3.87Å
304T98.1Very high95.8Very high34 Ų3463.5 Ų63.521%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-117133.7-177.158.20000111.7M265 S266 D267 Y274 T302M265-T304 PolarHBondContact O-N 2.94Å; M265-T304 PolarHBondContact O-OG1 2.67Å; S266-T304 CarbonylContact C-O 3.51Å; S266-T304 WeakPolarHBondContact CA-O 3.31Å; D267-T304 PolarHBondContact N-O 3.07Å; Y274-T304 CarbonylContact O-C 3.56Å; Y274-T304 VanDerWaalsContact O-CA 3.26Å; Y274-T304 WeakPolarHBondContact O-CA 3.39Å; T302-T304 HydrophobicContact CG2-CG2 4.04Å
305G98.2Very high96.1Very high7 Ų763.8 Ų63.87%0.07232%0.321CS..EExtended strand (participates in β ladder)trans-86.8140.417600000113D267 F270 H271 P272 G273 Y274D267-G305 WeakPolarHBondContact O-CA 3.13Å; F270-G305 CarbonylContact O-C 3.52Å; F270-G305 VanDerWaalsContact O-CA 3.27Å; F270-G305 WeakPolarHBondContact O-CA 3.45Å; H271-G305 CarbonylContact O-C 3.53Å; H271-G305 WeakPolarHBondContact O-CA 3.49Å; P272-G305 WeakPolarHBondContact CA-O 3.37Å; G273-G305 PolarHBondContact N-O 3.22Å; Y274-G305 PolarHBondContact O-N 3.23Å
306V97.9Very high96.7Very high68 Ų6853.5 Ų53.541%0.41228%0.277SS..  trans-118.2-9.6175.8-56.80000114D267 P268 F270D267-V306 PolarHBondContact O-N 2.66Å; P268-V306 HydrophobicContact CB-CG2 4.13Å; F270-V306 PolarHBondContact O-N 3.46Å; F270-V306 VanDerWaalsContact O-N 3.16Å
307G98.2Very high97.1Very high11 Ų1147.8 Ų47.811%0.11325%0.249CC..  trans62.470.7168.900000115.4F270 C377F270-G307 VanDerWaalsContact O-CA 3.3Å; F270-G307 WeakPolarHBondContact O-CA 3.39Å; F270-G307 PolarHBondContact O-N 3.1Å; G307-C377 WeakPolarHBondContact CA-O 3.44Å
308N98.4Very high97.4Very high59 Ų5949.2 Ų49.232%0.31625%0.253SS..  trans-139.6105.5176.4-171.9-64.7000111P268 F310 R311 C312P268-N308 HydrophobicContact CB-CB 4.19Å; P268-N308 PolarHBondContact O-N 3.5Å; N308-F310 PolarHBondContact O-N 3.08Å; N308-F310 PolarHBondContact OD1-N 3.49Å; N308-R311 HydrophobicContact CB-CB 4.17Å; N308-R311 HydrophobicContact CB-CG 4.42Å; N308-R311 PolarHBondContact O-N 3.21Å; N308-R311 WeakPolarHBondContact OD1-CG 3.41Å; N308-R311 PolarHBondContact OD1-N 2.74Å; N308-C312 WeakPolarHBondContact O-CB 3.26Å; N308-C312 PolarHBondContact O-N 3.5Å
309F98.3Very high97.6Very high2 Ų247.3 Ų47.31%0.00924%0.24CC..Hα-helixtrans-56.2-46.8-177.7167.1-98.1000113.5R311 C312 Q313 K370 L373 A374 C377 T404F309-R311 PolarHBondContact O-N 3.13Å; F309-C312 CarbonylContact O-C 3.58Å; F309-C312 WeakPolarHBondContact O-CB 3.35Å; F309-C312 PolarHBondContact O-N 2.6Å; F309-Q313 WeakPolarHBondContact O-CB 3.35Å; F309-Q313 PolarHBondContact O-N 3.11Å; F309-K370 HydrophobicContact CE1-CB 3.84Å; F309-K370 HydrophobicContact CE1-CG 4.07Å; F309-K370 HydrophobicContact CZ-CB 4.03Å; F309-K370 HydrophobicContact CZ-CG 3.92Å; F309-L373 HydrophobicContact CD2-CB 3.66Å; F309-L373 HydrophobicContact CD2-CD1 4.42Å; F309-L373 HydrophobicContact CE2-CB 3.76Å; F309-L373 HydrophobicContact CE2-CD1 3.75Å; F309-L373 HydrophobicContact CE2-CG 4.39Å; F309-L373 HydrophobicContact CG-CB 4.35Å; F309-L373 HydrophobicContact CZ-CD1 4.45Å; F309-A374 VanDerWaalsContact CB-CA 3.48Å; F309-A374 HydrophobicContact CB-CB 3.82Å; F309-A374 HydrophobicContact CD1-CB 4.21Å; F309-A374 HydrophobicContact CG-CB 4.21Å; F309-C377 HydrophobicContact CB-CB 4.3Å; F309-T404 HydrophobicContact CD2-CG2 4.01Å; F309-T404 WeakPolarHBondContact CD2-OG1 3.37Å; F309-T404 HydrophobicContact CE2-CG2 3.83Å
310F98.1Very high97.7Very high123 Ų12342.5 Ų42.554%0.53922%0.215SC..Hα-helixtrans-66.1-42.2-177-62.6-70.6000112N308 C312 Q313 E314N308-F310 PolarHBondContact O-N 3.08Å; N308-F310 PolarHBondContact OD1-N 3.49Å; F310-C312 VanDerWaalsContact C-N 3.33Å; F310-Q313 WeakPolarHBondContact O-CB 3.42Å; F310-Q313 PolarHBondContact O-N 2.86Å; F310-E314 PolarHBondContact O-N 2.94Å
311R98.4Very high97.7Very high169 Ų16942.7 Ų42.764%0.63822%0.216SC*.Hα-helixtrans-66.7-36.3173.5-69.4-177.2-179.3-177.50.7112P268 N308 F309 Q313 E314 V315P268-R311 HydrophobicContact CB-CB 3.58Å; P268-R311 HydrophobicContact CG-CB 3.94Å; N308-R311 HydrophobicContact CB-CB 4.17Å; N308-R311 HydrophobicContact CB-CG 4.42Å; N308-R311 PolarHBondContact O-N 3.21Å; N308-R311 WeakPolarHBondContact OD1-CG 3.41Å; N308-R311 PolarHBondContact OD1-N 2.74Å; F309-R311 PolarHBondContact O-N 3.13Å; R311-Q313 VanDerWaalsContact C-N 3.33Å; R311-E314 PolarHBondContact O-N 2.86Å; R311-V315 WeakPolarHBondContact O-CG2 3.23Å; R311-V315 PolarHBondContact O-N 3.33Å
312C98.6Very high97.6Very high0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-62.7-42.5173.6179.50000111.3P268 C269 N308 F309 F310 E314 V315 V316 T404P268-C312 HydrophobicContact CB-CB 4.34Å; P268-C312 HydrophobicContact CG-CB 4.42Å; C269-C312 WeakPolarHBondContact CA-SG 3.28Å; C269-C312 HydrophobicContact CB-CB 3.91Å; C269-C312 WeakPolarHBondContact CB-SG 3.49Å; C269-C312 WeakPolarHBondContact SG-CA 3.45Å; C269-C312 WeakPolarHBondContact SG-CB 3.44Å; C269-C312 CovalentContact SG-SG 2.03Å; C269-C312 PolarHBondContact SG-SG 3.35Å; N308-C312 WeakPolarHBondContact O-CB 3.26Å; N308-C312 PolarHBondContact O-N 3.5Å; F309-C312 CarbonylContact O-C 3.58Å; F309-C312 WeakPolarHBondContact O-CB 3.35Å; F309-C312 PolarHBondContact O-N 2.6Å; F310-C312 VanDerWaalsContact C-N 3.33Å; C312-E314 VanDerWaalsContact C-N 3.33Å; C312-E314 PolarHBondContact O-N 3.29Å; C312-V315 WeakPolarHBondContact O-CB 3.3Å; C312-V315 PolarHBondContact O-N 3.04Å; C312-V315 VanDerWaalsContact O-N 3.16Å; C312-V316 WeakPolarHBondContact O-CG2 3.37Å; C312-V316 PolarHBondContact O-N 2.94Å; C312-T404 HydrophobicContact CB-CG2 4.12Å
313Q98.1Very high97.4Very high16 Ų1651 Ų518%0.07526%0.259CS..Hα-helixtrans-60-43.8175.6176.3163.361.300111F309 F310 R311 V315 V316 K317 T404 T408F309-Q313 WeakPolarHBondContact O-CB 3.35Å; F309-Q313 PolarHBondContact O-N 3.11Å; F310-Q313 WeakPolarHBondContact O-CB 3.42Å; F310-Q313 PolarHBondContact O-N 2.86Å; R311-Q313 VanDerWaalsContact C-N 3.33Å; Q313-V315 VanDerWaalsContact C-N 3.34Å; Q313-V315 PolarHBondContact O-N 2.77Å; Q313-V316 PolarHBondContact O-N 3Å; Q313-V316 VanDerWaalsContact O-N 3.14Å; Q313-K317 HydrophobicContact CG-CD 4.04Å; Q313-K317 HydrophobicContact CG-CG 4.31Å; Q313-K317 VanDerWaalsContact O-CG 3.3Å; Q313-K317 WeakPolarHBondContact O-CG 3.35Å; Q313-K317 PolarHBondContact O-N 3.05Å; Q313-T404 HydrophobicContact CB-CG2 3.91Å; Q313-T408 HydrophobicContact CG-CG2 4.36Å; Q313-T408 PolarHBondContact NE2-OG1 3.12Å
314E97.9Very high97.1Very high112 Ų11254.2 Ų54.252%0.52328%0.281SS..Hα-helixtrans-59.8-42.2174.1-67.1-53.6121.700112.4F310 R311 C312 V316 K317 T318F310-E314 PolarHBondContact O-N 2.94Å; R311-E314 PolarHBondContact O-N 2.86Å; C312-E314 VanDerWaalsContact C-N 3.33Å; C312-E314 PolarHBondContact O-N 3.29Å; E314-V316 VanDerWaalsContact C-N 3.34Å; E314-V316 PolarHBondContact O-N 3.3Å; E314-K317 PolarHBondContact O-N 3.23Å; E314-T318 VanDerWaalsContact O-CG2 3.31Å; E314-T318 WeakPolarHBondContact O-CG2 3.28Å; E314-T318 PolarHBondContact O-N 3.37Å
315V97.8Very high96.9Very high22 Ų2255.4 Ų55.413%0.13329%0.29CS..Hα-helixtrans-58.3-47.2173.3171.50000110.7A253 Q257 P268 R311 C312 Q313 K317 T318A253-V315 HydrophobicContact CB-CG1 4.16Å; Q257-V315 HydrophobicContact CG-CG1 4.39Å; P268-V315 HydrophobicContact CG-CG2 3.97Å; R311-V315 WeakPolarHBondContact O-CG2 3.23Å; R311-V315 PolarHBondContact O-N 3.33Å; C312-V315 WeakPolarHBondContact O-CB 3.3Å; C312-V315 PolarHBondContact O-N 3.04Å; C312-V315 VanDerWaalsContact O-N 3.16Å; Q313-V315 VanDerWaalsContact C-N 3.34Å; Q313-V315 PolarHBondContact O-N 2.77Å; V315-K317 PolarHBondContact O-N 2.93Å; V315-T318 PolarHBondContact O-N 3.1Å; V315-T318 PolarHBondContact O-OG1 3.29Å
316V98.3Very high96.7Very high0 Ų064.8 Ų64.80%033%0.329CS..Hα-helixtrans-63.1-42178.7172.70000111.5C312 Q313 E314 T318 L319 F320 F401 T404 Y405 T408C312-V316 WeakPolarHBondContact O-CG2 3.37Å; C312-V316 PolarHBondContact O-N 2.94Å; Q313-V316 PolarHBondContact O-N 3Å; Q313-V316 VanDerWaalsContact O-N 3.14Å; E314-V316 VanDerWaalsContact C-N 3.34Å; E314-V316 PolarHBondContact O-N 3.3Å; V316-T318 PolarHBondContact O-N 2.81Å; V316-L319 VanDerWaalsContact O-CB 3.27Å; V316-L319 WeakPolarHBondContact O-CB 3.25Å; V316-L319 WeakPolarHBondContact O-CG 3.17Å; V316-L319 PolarHBondContact O-N 2.85Å; V316-F320 HydrophobicContact CG1-CE2 3.91Å; V316-F320 HydrophobicContact CG1-CZ 4.44Å; V316-F401 HydrophobicContact CG2-CE2 3.95Å; V316-F401 HydrophobicContact CG2-CZ 4.45Å; V316-T404 HydrophobicContact CG2-CG2 4.44Å; V316-Y405 HydrophobicContact CG1-CD2 3.77Å; V316-T408 HydrophobicContact CB-CG2 4.43Å; V316-T408 HydrophobicContact CG1-CG2 3.83Å
317K97.6Very high96.5Very high56 Ų5665.7 Ų65.724%0.24333%0.326CS..Hα-helixtrans-59.5-34.2-179.7-73.4179.279.2158.60112.2Q313 E314 V315 L319 F320 T408 E412Q313-K317 HydrophobicContact CG-CD 4.04Å; Q313-K317 HydrophobicContact CG-CG 4.31Å; Q313-K317 VanDerWaalsContact O-CG 3.3Å; Q313-K317 WeakPolarHBondContact O-CG 3.35Å; Q313-K317 PolarHBondContact O-N 3.05Å; E314-K317 PolarHBondContact O-N 3.23Å; V315-K317 PolarHBondContact O-N 2.93Å; K317-L319 PolarHBondContact O-N 3.33Å; K317-L319 VanDerWaalsContact O-N 3.1Å; K317-F320 PolarHBondContact O-N 2.74Å; K317-F320 VanDerWaalsContact O-N 3.14Å; K317-T408 HydrophobicContact CD-CG2 4.47Å; K317-T408 HydrophobicContact CG-CG2 3.59Å; K317-E412 HydrophobicContact CD-CG 4.4Å; K317-E412 WeakPolarHBondContact CE-OE1 3.41Å; K317-E412 IonicContact NZ-OE1 2.64Å; K317-E412 PolarHBondContact NZ-OE1 3.38Å; K317-E412 IonicContact NZ-OE2 2.76Å; K317-E412 PolarHBondContact NZ-OE2 3.23Å
318T96.1Very high96.2Very high75 Ų7569 Ų6946%0.4635%0.347SS..THydrogen-bonded Turntrans-63.9-14.7176.870.70000114.1E314 V315 V316 F320E314-T318 VanDerWaalsContact O-CG2 3.31Å; E314-T318 WeakPolarHBondContact O-CG2 3.28Å; E314-T318 PolarHBondContact O-N 3.37Å; V315-T318 PolarHBondContact O-N 3.1Å; V315-T318 PolarHBondContact O-OG1 3.29Å; V316-T318 PolarHBondContact O-N 2.81Å; T318-F320 VanDerWaalsContact C-N 3.34Å
319L96.4Very high95.9Very high11 Ų1171.9 Ų71.96%0.05835%0.353CS..THydrogen-bonded Turntrans-83.6-12.1178.7-54.3-179.8000113.1Y244 V249 M252 A253 H256 V316 K317Y244-L319 PolarHBondContact OH-O 3.11Å; V249-L319 HydrophobicContact CG1-CD1 3.59Å; M252-L319 HydrophobicContact CB-CD1 4.42Å; M252-L319 HydrophobicContact CB-CD2 4.2Å; A253-L319 HydrophobicContact CB-CD1 4.03Å; H256-L319 HydrophobicContact CB-CD2 4.41Å; V316-L319 VanDerWaalsContact O-CB 3.27Å; V316-L319 WeakPolarHBondContact O-CB 3.25Å; V316-L319 WeakPolarHBondContact O-CG 3.17Å; V316-L319 PolarHBondContact O-N 2.85Å; K317-L319 PolarHBondContact O-N 3.33Å; K317-L319 VanDerWaalsContact O-N 3.1Å
320F97.1Very high95.7Very high12 Ų1273.5 Ų73.55%0.05337%0.365CS..SBendtrans-102.6136.1176.8-56-64.3000109.9Y244 V316 K317 T318 F322 F332 Y405 T408 L409Y244-F320 HydrophobicContact CD1-CD1 4.21Å; Y244-F320 AromaticContact CD1-CE1 3.73Å; Y244-F320 HydrophobicContact CD1-CE1 3.73Å; Y244-F320 AromaticContact CE1-CD1 3.6Å; Y244-F320 HydrophobicContact CE1-CD1 3.6Å; Y244-F320 AromaticContact CE1-CE1 3.58Å; Y244-F320 HydrophobicContact CE1-CE1 3.58Å; V316-F320 HydrophobicContact CG1-CE2 3.91Å; V316-F320 HydrophobicContact CG1-CZ 4.44Å; K317-F320 PolarHBondContact O-N 2.74Å; K317-F320 VanDerWaalsContact O-N 3.14Å; T318-F320 VanDerWaalsContact C-N 3.34Å; F320-F322 HydrophobicContact CB-CD2 4.16Å; F320-F322 HydrophobicContact CB-CE1 4.15Å; F320-F322 HydrophobicContact CB-CE2 3.39Å; F320-F322 HydrophobicContact CB-CZ 3.38Å; F320-F322 HydrophobicContact CD2-CE2 4.37Å; F320-F322 HydrophobicContact CD2-CZ 4.12Å; F320-F322 HydrophobicContact CG-CE2 4.26Å; F320-F322 AromaticContact CG-CZ 3.94Å; F320-F322 HydrophobicContact CG-CZ 3.94Å; F320-F332 HydrophobicContact CB-CB 4.08Å; F320-F332 HydrophobicContact CB-CG 4.42Å; F320-F332 HydrophobicContact CD1-CB 4.24Å; F320-F332 AromaticContact CD1-CD1 3.99Å; F320-F332 HydrophobicContact CD1-CD1 3.99Å; F320-F332 AromaticContact CD1-CD2 3.55Å; F320-F332 HydrophobicContact CD1-CD2 3.55Å; F320-F332 HydrophobicContact CD1-CE1 4.18Å; F320-F332 AromaticContact CD1-CE2 3.77Å; F320-F332 HydrophobicContact CD1-CE2 3.77Å; F320-F332 AromaticContact CD1-CG 3.66Å; F320-F332 HydrophobicContact CD1-CG 3.66Å; F320-F332 HydrophobicContact CD1-CZ 4.07Å; F320-F332 HydrophobicContact CE1-CD1 4.28Å; F320-F332 HydrophobicContact CE1-CD2 4.24Å; F320-F332 HydrophobicContact CE1-CE1 4.06Å; F320-F332 HydrophobicContact CE1-CE2 4.03Å; F320-F332 HydrophobicContact CE1-CG 4.36Å; F320-F332 AromaticContact CE1-CZ 3.92Å; F320-F332 HydrophobicContact CE1-CZ 3.92Å; F320-F332 HydrophobicContact CG-CG 4.39Å; F320-Y405 HydrophobicContact CE1-CE2 4.39Å; F320-Y405 HydrophobicContact CZ-CD2 4.44Å; F320-Y405 AromaticContact CZ-CE2 3.81Å; F320-Y405 HydrophobicContact CZ-CE2 3.81Å; F320-T408 HydrophobicContact CE2-CG2 3.95Å; F320-L409 HydrophobicContact CE1-CD1 3.94Å; F320-L409 HydrophobicContact CZ-CB 4.26Å; F320-L409 HydrophobicContact CZ-CD1 4.05Å
321N96.2Very high95.7Very high69 Ų6968.2 Ų68.237%0.36934%0.343SS..  trans-102.1114.6171.4-175.8-4.7000110.6T323 N333N321-T323 PolarHBondContact OD1-N 3.33Å; N321-T323 PolarHBondContact OD1-OG1 3.16Å; N321-N333 WeakPolarHBondContact CB-OD1 3.24Å; N321-N333 PolarHBondContact N-OD1 3.07Å; N321-N333 WeakPolarHBondContact O-CA 3.37Å; N321-N333 PolarHBondContact O-N 3.08Å
322F95.1Very high95.6Very high95 Ų9560.2 Ų60.242%0.41731%0.313SS..  trans-105.51179.1-57.8-73.3000113.9F320 F332 E412F320-F322 HydrophobicContact CB-CD2 4.16Å; F320-F322 HydrophobicContact CB-CE1 4.15Å; F320-F322 HydrophobicContact CB-CE2 3.39Å; F320-F322 HydrophobicContact CB-CZ 3.38Å; F320-F322 HydrophobicContact CD2-CE2 4.37Å; F320-F322 HydrophobicContact CD2-CZ 4.12Å; F320-F322 HydrophobicContact CG-CE2 4.26Å; F320-F322 AromaticContact CG-CZ 3.94Å; F320-F322 HydrophobicContact CG-CZ 3.94Å; F322-F332 HydrophobicContact CD1-CB 4.04Å; F322-F332 HydrophobicContact CE1-CB 3.68Å; F322-F332 HydrophobicContact CZ-CB 4.34Å; F322-E412 VanDerWaalsContact CE1-O 3.29Å; F322-E412 WeakPolarHBondContact CE1-O 3.26Å; F322-E412 HydrophobicContact CZ-CB 4.2Å
323T93.4Very high95.6Very high131 Ų13163 Ų6380%0.80433%0.327SS*.SBendtrans-80.9-24.5-168.162.20000114.3N321N321-T323 PolarHBondContact OD1-N 3.33Å; N321-T323 PolarHBondContact OD1-OG1 3.16Å
324S91.5Very high95.5Very high66 Ų6663 Ų6346%0.46233%0.332SS..  trans-123.6125.6-176.4640000111.4G334S324-G334 WeakPolarHBondContact O-CA 3.44Å; S324-G334 PolarHBondContact O-N 3.38Å
325C94.4Very high95.4Very high59 Ų5959.7 Ų59.740%0.39932%0.318SS..  trans-137.4122.4168.8-174.90000109.2Y327 C330C325-Y327 PolarHBondContact SG-O 2.9Å; C325-C330 VanDerWaalsContact CA-SG 3.5Å; C325-C330 HydrophobicContact CB-CB 3.76Å; C325-C330 WeakPolarHBondContact CB-SG 3.45Å; C325-C330 WeakPolarHBondContact SG-CB 3.33Å; C325-C330 PolarHBondContact SG-N 2.75Å; C325-C330 CovalentContact SG-SG 2.03Å; C325-C330 PolarHBondContact SG-SG 2.77Å
326K93.3Very high95.2Very high205 Ų20558.9 Ų58.989%0.89131%0.312SS*.SBendtrans-90.3-8177.8-66.3-177.6178.9179.20113.1
327Y92.6Very high95.1Very high86 Ų8659.4 Ų59.434%0.33732%0.315SS..SBendtrans-104.2172.7-179.3-52.7-75.7000109.7E219 C325 R329 G334 F336E219-Y327 HydrophobicContact CG-CD1 3.66Å; E219-Y327 HydrophobicContact CG-CG 4.37Å; E219-Y327 WeakPolarHBondContact O-CD1 3.47Å; E219-Y327 WeakPolarHBondContact O-CE1 3.15Å; E219-Y327 WeakPolarHBondContact OE1-CA 3.49Å; E219-Y327 WeakPolarHBondContact OE1-CB 3.39Å; C325-Y327 PolarHBondContact SG-O 2.9Å; Y327-R329 PolarHBondContact O-N 3.14Å; Y327-R329 VanDerWaalsContact O-N 3.16Å; Y327-G334 WeakPolarHBondContact CE2-O 3.36Å; Y327-F336 HydrophobicContact CD1-CB 4.12Å; Y327-F336 HydrophobicContact CD2-CB 3.56Å; Y327-F336 HydrophobicContact CE1-CB 4.4Å; Y327-F336 HydrophobicContact CE2-CB 3.86Å; Y327-F336 HydrophobicContact CG-CB 3.68Å; Y327-F336 HydrophobicContact CG-CD2 4.13Å; Y327-F336 HydrophobicContact CG-CG 4.31Å
328S92.4Very high94.9Very high80 Ų8056.9 Ų56.956%0.55930%0.304SS*.SBendtrans-54.4-31.5174.1650000112.1E219E219-S328 VanDerWaalsContact CD-OG 3.29Å; E219-S328 VanDerWaalsContact OE1-CB 3.23Å; E219-S328 WeakPolarHBondContact OE1-CB 3.39Å; E219-S328 PolarHBondContact OE1-N 2.79Å; E219-S328 PolarHBondContact OE1-OG 3.24Å; E219-S328 VanDerWaalsContact OE1-OG 3.11Å; E219-S328 PolarHBondContact OE2-OG 2.8Å
329R91.9Very high94.8Very high120 Ų12056.1 Ų56.145%0.45330%0.3SS..  trans-161.4151.7177.357.8-174.279.7-159.64.7110.2Y327 F336 Q337 P339Y327-R329 PolarHBondContact O-N 3.14Å; Y327-R329 VanDerWaalsContact O-N 3.16Å; R329-F336 HydrophobicContact CG-CE2 4.28Å; R329-F336 WeakPolarHBondContact O-CA 3.42Å; R329-F336 WeakPolarHBondContact O-CD2 3.45Å; R329-Q337 WeakPolarHBondContact CD-O 3.38Å; R329-Q337 WeakPolarHBondContact CG-O 3.48Å; R329-Q337 PolarHBondContact O-N 3.23Å; R329-P339 VanDerWaalsContact NH1-CB 3.33Å; R329-P339 VanDerWaalsContact NH1-CD 3.33Å
330C95.4Very high94.6Very high37 Ų3757.4 Ų57.425%0.2531%0.307CS..BIsolated β-bridgetrans-132.4159.7176.3-66.50000110.2C325 G334 I335C325-C330 VanDerWaalsContact CA-SG 3.5Å; C325-C330 HydrophobicContact CB-CB 3.76Å; C325-C330 WeakPolarHBondContact CB-SG 3.45Å; C325-C330 WeakPolarHBondContact SG-CB 3.33Å; C325-C330 PolarHBondContact SG-N 2.75Å; C325-C330 CovalentContact SG-SG 2.03Å; C325-C330 PolarHBondContact SG-SG 2.77Å; C330-G334 VanDerWaalsContact SG-C 3.5Å; C330-I335 CarbonylContact C-O 3.53Å; C330-I335 WeakPolarHBondContact CA-O 3.37Å; C330-I335 WeakPolarHBondContact CB-O 3.36Å
331S96.6Very high94.1Very high11 Ų1160.2 Ų60.28%0.07732%0.32CS..SBendtrans-77-93.3161.148.50000108.9F241 I335 G413F241-S331 WeakPolarHBondContact CZ-OG 3.38Å; S331-I335 PolarHBondContact N-O 3.36Å; S331-I335 PolarHBondContact OG-O 3.47Å; S331-G413 CarbonylContact C-O 3.5Å; S331-G413 WeakPolarHBondContact CA-O 3.41Å; S331-G413 VanDerWaalsContact CB-O 3.26Å; S331-G413 WeakPolarHBondContact CB-O 3.39Å
332F97.8Very high93.9Very high1 Ų157.6 Ų57.60%0.00431%0.31CS..SBendtrans-137.3167.7172.459.6-88.5000110.6F241 Y244 F320 F322 G334 I335 L409 Y414F241-F332 HydrophobicContact CB-CE2 4.47Å; F241-F332 HydrophobicContact CB-CZ 4.12Å; F241-F332 HydrophobicContact CD1-CD2 4.18Å; F241-F332 HydrophobicContact CD1-CE1 4.02Å; F241-F332 AromaticContact CD1-CE2 3.33Å; F241-F332 HydrophobicContact CD1-CE2 3.33Å; F241-F332 AromaticContact CD1-CZ 3.24Å; F241-F332 HydrophobicContact CD1-CZ 3.24Å; F241-F332 HydrophobicContact CD2-CE1 4.39Å; F241-F332 AromaticContact CD2-CZ 3.99Å; F241-F332 HydrophobicContact CD2-CZ 3.99Å; F241-F332 HydrophobicContact CE1-CD1 4.24Å; F241-F332 HydrophobicContact CE1-CD2 4.12Å; F241-F332 AromaticContact CE1-CE1 3.8Å; F241-F332 HydrophobicContact CE1-CE1 3.8Å; F241-F332 AromaticContact CE1-CE2 3.66Å; F241-F332 HydrophobicContact CE1-CE2 3.66Å; F241-F332 HydrophobicContact CE1-CG 4.4Å; F241-F332 AromaticContact CE1-CZ 3.49Å; F241-F332 HydrophobicContact CE1-CZ 3.49Å; F241-F332 VanDerWaalsContact CE1-CZ 3.49Å; F241-F332 HydrophobicContact CE2-CE1 4.23Å; F241-F332 HydrophobicContact CE2-CZ 4.23Å; F241-F332 HydrophobicContact CG-CE1 4.3Å; F241-F332 AromaticContact CG-CE2 3.99Å; F241-F332 HydrophobicContact CG-CE2 3.99Å; F241-F332 AromaticContact CG-CZ 3.51Å; F241-F332 HydrophobicContact CG-CZ 3.51Å; F241-F332 HydrophobicContact CZ-CD1 4.45Å; F241-F332 AromaticContact CZ-CE1 3.92Å; F241-F332 HydrophobicContact CZ-CE1 3.92Å; F241-F332 AromaticContact CZ-CZ 4Å; F241-F332 HydrophobicContact CZ-CZ 4Å; Y244-F332 AromaticContact CD1-CE2 3.67Å; Y244-F332 HydrophobicContact CD1-CE2 3.67Å; Y244-F332 AromaticContact CD1-CZ 3.91Å; Y244-F332 HydrophobicContact CD1-CZ 3.91Å; Y244-F332 HydrophobicContact CD2-CE2 4.01Å; Y244-F332 HydrophobicContact CE1-CD2 4.17Å; Y244-F332 AromaticContact CE1-CE2 3.5Å; Y244-F332 HydrophobicContact CE1-CE2 3.5Å; Y244-F332 HydrophobicContact CE1-CZ 4.18Å; Y244-F332 AromaticContact CE2-CE2 3.87Å; Y244-F332 HydrophobicContact CE2-CE2 3.87Å; Y244-F332 AromaticContact CG-CE2 3.93Å; Y244-F332 HydrophobicContact CG-CE2 3.93Å; Y244-F332 HydrophobicContact CG-CZ 4.12Å; Y244-F332 AromaticContact CZ-CE2 3.62Å; F320-F332 HydrophobicContact CB-CB 4.08Å; F320-F332 HydrophobicContact CB-CG 4.42Å; F320-F332 HydrophobicContact CD1-CB 4.24Å; F320-F332 AromaticContact CD1-CD1 3.99Å; F320-F332 HydrophobicContact CD1-CD1 3.99Å; F320-F332 AromaticContact CD1-CD2 3.55Å; F320-F332 HydrophobicContact CD1-CD2 3.55Å; F320-F332 HydrophobicContact CD1-CE1 4.18Å; F320-F332 AromaticContact CD1-CE2 3.77Å; F320-F332 HydrophobicContact CD1-CE2 3.77Å; F320-F332 AromaticContact CD1-CG 3.66Å; F320-F332 HydrophobicContact CD1-CG 3.66Å; F320-F332 HydrophobicContact CD1-CZ 4.07Å; F320-F332 HydrophobicContact CE1-CD1 4.28Å; F320-F332 HydrophobicContact CE1-CD2 4.24Å; F320-F332 HydrophobicContact CE1-CE1 4.06Å; F320-F332 HydrophobicContact CE1-CE2 4.03Å; F320-F332 HydrophobicContact CE1-CG 4.36Å; F320-F332 AromaticContact CE1-CZ 3.92Å; F320-F332 HydrophobicContact CE1-CZ 3.92Å; F320-F332 HydrophobicContact CG-CG 4.39Å; F322-F332 HydrophobicContact CD1-CB 4.04Å; F322-F332 HydrophobicContact CE1-CB 3.68Å; F322-F332 HydrophobicContact CZ-CB 4.34Å; F332-G334 PolarHBondContact O-N 3.17Å; F332-I335 WeakPolarHBondContact O-CB 3.02Å; F332-I335 WeakPolarHBondContact O-CG1 3.4Å; F332-I335 PolarHBondContact O-N 3.19Å; F332-I335 VanDerWaalsContact O-N 3.13Å; F332-L409 HydrophobicContact CE1-CD1 3.63Å; F332-L409 HydrophobicContact CZ-CD1 4.01Å; F332-Y414 HydrophobicContact CE1-CD1 4.36Å; F332-Y414 AromaticContact CE1-CE1 3.93Å; F332-Y414 HydrophobicContact CE1-CE1 3.93Å
333N96.9Very high93.9Very high58 Ų5855.2 Ų55.231%0.3131%0.305SS..THydrogen-bonded Turntrans55.230.8-176.6-61.5-10.7000114.2Y244 N321 I335Y244-N333 WeakPolarHBondContact CE2-ND2 3.34Å; Y244-N333 VanDerWaalsContact CZ-ND2 3.34Å; Y244-N333 PolarHBondContact OH-ND2 2.69Å; N321-N333 WeakPolarHBondContact CB-OD1 3.24Å; N321-N333 PolarHBondContact N-OD1 3.07Å; N321-N333 WeakPolarHBondContact O-CA 3.37Å; N321-N333 PolarHBondContact O-N 3.08Å; N333-I335 HydrophobicContact CB-CG1 4.48Å; N333-I335 PolarHBondContact O-N 3.38Å
334G96Very high94Very high17 Ų1749 Ų4918%0.17527%0.267CS..THydrogen-bonded Turntrans67.120.7-178.900000114.4S324 Y327 C330 F332S324-G334 WeakPolarHBondContact O-CA 3.44Å; S324-G334 PolarHBondContact O-N 3.38Å; Y327-G334 WeakPolarHBondContact CE2-O 3.36Å; C330-G334 VanDerWaalsContact SG-C 3.5Å; F332-G334 PolarHBondContact O-N 3.17Å
335I96.1Very high94.3Very high42 Ų4245.9 Ų45.922%0.21525%0.245CC..  trans-87.3122.5177.9-59.5-52.4000110.3H239 F241 C330 S331 F332 N333 Q337H239-I335 WeakPolarHBondContact CE1-CG2 3.46Å; H239-I335 WeakPolarHBondContact ND1-CG2 3.48Å; F241-I335 HydrophobicContact CD1-CG1 4.47Å; F241-I335 HydrophobicContact CE1-CB 3.88Å; F241-I335 HydrophobicContact CE1-CG1 3.78Å; F241-I335 HydrophobicContact CE1-CG2 4Å; F241-I335 HydrophobicContact CZ-CB 4.24Å; F241-I335 HydrophobicContact CZ-CG2 3.96Å; C330-I335 CarbonylContact C-O 3.53Å; C330-I335 WeakPolarHBondContact CA-O 3.37Å; C330-I335 WeakPolarHBondContact CB-O 3.36Å; S331-I335 PolarHBondContact N-O 3.36Å; S331-I335 PolarHBondContact OG-O 3.47Å; F332-I335 WeakPolarHBondContact O-CB 3.02Å; F332-I335 WeakPolarHBondContact O-CG1 3.4Å; F332-I335 PolarHBondContact O-N 3.19Å; F332-I335 VanDerWaalsContact O-N 3.13Å; N333-I335 HydrophobicContact CB-CG1 4.48Å; N333-I335 PolarHBondContact O-N 3.38Å; I335-Q337 PolarHBondContact O-N 2.88Å
336F95.1Very high94.4Very high5 Ų543 Ų432%0.02223%0.226CC..BIsolated β-bridgetrans-52.1135173173.8-106.4000111.3Y215 E219 Y237 Y327 R329 P338Y215-F336 HydrophobicContact CD2-CE1 4.07Å; Y215-F336 HydrophobicContact CD2-CZ 4.18Å; Y215-F336 AromaticContact CE2-CE1 3.48Å; Y215-F336 HydrophobicContact CE2-CE1 3.48Å; Y215-F336 VanDerWaalsContact CE2-CE1 3.48Å; Y215-F336 AromaticContact CE2-CZ 3.99Å; Y215-F336 HydrophobicContact CE2-CZ 3.99Å; E219-F336 HydrophobicContact CG-CD2 4.01Å; E219-F336 HydrophobicContact CG-CE2 4.02Å; E219-F336 WeakPolarHBondContact OE2-CE2 3.02Å; Y237-F336 HydrophobicContact CD2-CD1 4.18Å; Y237-F336 HydrophobicContact CD2-CE1 4.16Å; Y237-F336 AromaticContact CE2-CD1 3.95Å; Y237-F336 HydrophobicContact CE2-CD1 3.95Å; Y237-F336 HydrophobicContact CE2-CE1 4.33Å; Y237-F336 WeakPolarHBondContact CE2-O 3.08Å; Y237-F336 PolarHBondContact OH-O 2.94Å; Y327-F336 HydrophobicContact CD1-CB 4.12Å; Y327-F336 HydrophobicContact CD2-CB 3.56Å; Y327-F336 HydrophobicContact CE1-CB 4.4Å; Y327-F336 HydrophobicContact CE2-CB 3.86Å; Y327-F336 HydrophobicContact CG-CB 3.68Å; Y327-F336 HydrophobicContact CG-CD2 4.13Å; Y327-F336 HydrophobicContact CG-CG 4.31Å; R329-F336 HydrophobicContact CG-CE2 4.28Å; R329-F336 WeakPolarHBondContact O-CA 3.42Å; R329-F336 WeakPolarHBondContact O-CD2 3.45Å; F336-P338 HydrophobicContact CE1-CB 4.4Å; F336-P338 HydrophobicContact CE1-CG 4.16Å; F336-P338 HydrophobicContact CZ-CB 4.14Å; F336-P338 HydrophobicContact CZ-CG 4.4Å
337Q95.2Very high94.5Very high12 Ų1233.3 Ų33.36%0.05618%0.184CC..  trans-145.2120.2170.1-173.6-174-83.900109.8Y237 R329 I335 Y414Y237-Q337 HydrophobicContact CE1-CG 4.01Å; R329-Q337 WeakPolarHBondContact CD-O 3.38Å; R329-Q337 WeakPolarHBondContact CG-O 3.48Å; R329-Q337 PolarHBondContact O-N 3.23Å; I335-Q337 PolarHBondContact O-N 2.88Å; Q337-Y414 PolarHBondContact NE2-O 3.02Å
338P94Very high94.6Very high2 Ų231 Ų311%0.01318%0.18CC..PPolyproline II helixtrans-63.9161.5176.221.7-22.8000111.3F210 P212 Y237 F336 L340F210-P338 HydrophobicContact CE2-CB 4.49Å; F210-P338 HydrophobicContact CE2-CG 3.97Å; F210-P338 HydrophobicContact CZ-CB 4.38Å; F210-P338 HydrophobicContact CZ-CG 3.66Å; P212-P338 HydrophobicContact CB-CB 4.02Å; P212-P338 HydrophobicContact CB-CG 4.09Å; P212-P338 HydrophobicContact CG-CG 4.26Å; Y237-P338 HydrophobicContact CD1-CG 4.01Å; Y237-P338 HydrophobicContact CD2-CG 3.88Å; Y237-P338 VanDerWaalsContact CG-CD 3.47Å; Y237-P338 HydrophobicContact CG-CG 3.59Å; F336-P338 HydrophobicContact CE1-CB 4.4Å; F336-P338 HydrophobicContact CE1-CG 4.16Å; F336-P338 HydrophobicContact CZ-CB 4.14Å; F336-P338 HydrophobicContact CZ-CG 4.4Å; P338-L340 PolarHBondContact O-N 3.08Å
339P93.1Very high94.8Very high59 Ų5927.8 Ų27.838%0.38316%0.158SC..PPolyproline II helixtrans-56.4136.2175.416.2-21000111.1F210 R329F210-P339 WeakPolarHBondContact CE2-O 3.41Å; R329-P339 VanDerWaalsContact NH1-CB 3.33Å; R329-P339 VanDerWaalsContact NH1-CD 3.33Å
340L93.3Very high95.2Very high39 Ų3922 Ų2220%0.20414%0.137CC..PPolyproline II helixtrans-63.8137178-60.1178.7000110.4I208 F210 P338 F344 Y414 F416I208-L340 HydrophobicContact CD1-CD2 3.88Å; F210-L340 HydrophobicContact CE1-CD2 4.09Å; F210-L340 HydrophobicContact CZ-CD2 4.13Å; P338-L340 PolarHBondContact O-N 3.08Å; L340-F344 HydrophobicContact CB-CE2 4.33Å; L340-F344 HydrophobicContact CB-CZ 4.46Å; L340-F344 HydrophobicContact CD2-CE2 4.45Å; L340-F344 HydrophobicContact CD2-CZ 3.89Å; L340-Y414 VanDerWaalsContact CD1-O 3.3Å; L340-Y414 WeakPolarHBondContact CD1-O 3.46Å; L340-F416 HydrophobicContact CD1-CD1 3.75Å; L340-F416 HydrophobicContact CD1-CD2 3.63Å; L340-F416 HydrophobicContact CD1-CE1 3.76Å; L340-F416 HydrophobicContact CD1-CE2 3.63Å; L340-F416 HydrophobicContact CD1-CG 3.69Å; L340-F416 HydrophobicContact CD1-CZ 3.69Å; L340-F416 HydrophobicContact CD2-CE2 4.39Å; L340-F416 HydrophobicContact CD2-CZ 4.33Å
341Q86.8Confident95.2Very high70 Ų7022.1 Ų22.133%0.32713%0.132SC..  trans-143.9152.1178.9-173.6170.715.200111.4H213 F344H213-Q341 PolarHBondContact CD2-NE2 3.16Å; H213-Q341 PolarHBondContact CD2-OE1 3.36Å; H213-Q341 VanDerWaalsContact N-OE1 3.15Å; H213-Q341 PolarHBondContact NE2-NE2 3.1Å; Q341-F344 VanDerWaalsContact O-CE2 3.23Å; Q341-F344 WeakPolarHBondContact O-CE2 3.43Å
342G90.9Very high95.2Very high15 Ų1527.1 Ų27.116%0.15515%0.152CC..SBendtrans74.7-163177.100000113.1K423G342-K423 WeakPolarHBondContact O-CD 3.39Å
343S94.6Very high95.2Very high44 Ų4427.3 Ų27.331%0.30815%0.154SC..  trans-91.9157.2172.3-59.70000110.5T196 G197 K423T196-S343 CarbonylContact C-O 3.49Å; T196-S343 WeakPolarHBondContact CA-O 3.49Å; T196-S343 WeakPolarHBondContact CG2-O 3.45Å; G197-S343 PolarHBondContact N-O 3.31Å; S343-K423 WeakPolarHBondContact CA-O 3.49Å
344F96.8Very high95.2Very high1 Ų124.5 Ų24.50%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-125.9135.3176.4-75.5-101.6000111.2G197 L199 I208 F210 L340 Q341 F416 K423 I424 K425G197-F344 CarbonylContact O-C 3.56Å; G197-F344 WeakPolarHBondContact O-CA 3.39Å; L199-F344 HydrophobicContact CD1-CB 4.01Å; L199-F344 HydrophobicContact CD1-CD1 4.27Å; L199-F344 HydrophobicContact CD1-CG 4.42Å; L199-F344 HydrophobicContact CD2-CD1 3.99Å; L199-F344 HydrophobicContact CD2-CE1 4.45Å; L199-F344 HydrophobicContact CG-CB 4.27Å; L199-F344 HydrophobicContact CG-CD1 3.91Å; L199-F344 HydrophobicContact CG-CG 4.49Å; I208-F344 HydrophobicContact CD1-CE1 4.33Å; I208-F344 HydrophobicContact CG1-CE1 4.33Å; F210-F344 HydrophobicContact CB-CE1 3.92Å; F210-F344 HydrophobicContact CB-CZ 4.03Å; F210-F344 AromaticContact CD1-CE1 3.71Å; F210-F344 HydrophobicContact CD1-CE1 3.71Å; F210-F344 AromaticContact CD1-CZ 3.84Å; F210-F344 HydrophobicContact CD1-CZ 3.84Å; F210-F344 HydrophobicContact CD2-CZ 4.3Å; F210-F344 HydrophobicContact CE1-CE1 4.42Å; F210-F344 HydrophobicContact CE1-CZ 4.32Å; F210-F344 AromaticContact CG-CE1 3.95Å; F210-F344 HydrophobicContact CG-CE1 3.95Å; F210-F344 AromaticContact CG-CZ 3.82Å; F210-F344 HydrophobicContact CG-CZ 3.82Å; L340-F344 HydrophobicContact CB-CE2 4.33Å; L340-F344 HydrophobicContact CB-CZ 4.46Å; L340-F344 HydrophobicContact CD2-CE2 4.45Å; L340-F344 HydrophobicContact CD2-CZ 3.89Å; Q341-F344 VanDerWaalsContact O-CE2 3.23Å; Q341-F344 WeakPolarHBondContact O-CE2 3.43Å; F344-F416 HydrophobicContact CB-CZ 4.26Å; F344-F416 HydrophobicContact CD1-CZ 4.06Å; F344-F416 AromaticContact CD2-CE1 3.7Å; F344-F416 HydrophobicContact CD2-CE1 3.7Å; F344-F416 AromaticContact CD2-CZ 3.66Å; F344-F416 HydrophobicContact CD2-CZ 3.66Å; F344-F416 HydrophobicContact CE1-CZ 4.32Å; F344-F416 HydrophobicContact CE2-CE1 4.09Å; F344-F416 AromaticContact CE2-CZ 3.95Å; F344-F416 HydrophobicContact CE2-CZ 3.95Å; F344-F416 HydrophobicContact CG-CE1 4.13Å; F344-F416 AromaticContact CG-CZ 3.72Å; F344-F416 HydrophobicContact CG-CZ 3.72Å; F344-F416 HydrophobicContact CZ-CZ 4.28Å; F344-K423 PolarHBondContact N-O 3.48Å; F344-I424 HydrophobicContact CB-CG1 4.46Å; F344-I424 CarbonylContact O-C 3.58Å; F344-I424 WeakPolarHBondContact O-CA 3.28Å; F344-K425 PolarHBondContact O-N 3.45Å
345G96.7Very high95.3Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-95.5117.9168.900000110.2G197 L199 K425G197-G345 PolarHBondContact O-N 2.85Å; L199-G345 PolarHBondContact N-O 3.15Å; G345-K425 CarbonylContact C-O 3.54Å; G345-K425 WeakPolarHBondContact CA-O 3.41Å
346A97.6Very high95.4Very high0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-106.4115.5178.400000110.6L199 Y350 I424 K425 F426 I427L199-A346 HydrophobicContact CB-CB 4.03Å; L199-A346 HydrophobicContact CD1-CB 4.25Å; L199-A346 WeakPolarHBondContact O-CA 3.46Å; A346-Y350 HydrophobicContact CB-CD2 4.11Å; A346-Y350 HydrophobicContact CB-CG 3.93Å; A346-I424 HydrophobicContact CB-CG2 3.77Å; A346-K425 PolarHBondContact N-O 3.47Å; A346-F426 HydrophobicContact CB-CD1 3.85Å; A346-F426 HydrophobicContact CB-CE1 4Å; A346-F426 CarbonylContact O-C 3.6Å; A346-F426 VanDerWaalsContact O-CA 3.32Å; A346-F426 WeakPolarHBondContact O-CA 3.32Å; A346-I427 PolarHBondContact O-N 3.49Å
347F95.9Very high95.5Very high1 Ų128.1 Ų28.10%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-126.6-170.8-172.755.9-89.8000112.1V182 A198 L199 D200 A349 Y350 I427 A435V182-F347 HydrophobicContact CG2-CD1 3.96Å; V182-F347 HydrophobicContact CG2-CE1 3.74Å; A198-F347 HydrophobicContact CB-CE1 3.89Å; A198-F347 HydrophobicContact CB-CZ 4.45Å; L199-F347 PolarHBondContact O-N 2.84Å; D200-F347 HydrophobicContact CB-CD2 4.37Å; D200-F347 HydrophobicContact CB-CE2 3.58Å; D200-F347 HydrophobicContact CB-CZ 3.66Å; D200-F347 WeakPolarHBondContact OD2-CE2 2.97Å; F347-A349 PolarHBondContact O-N 3.21Å; F347-Y350 WeakPolarHBondContact O-CB 3.49Å; F347-Y350 PolarHBondContact O-N 3.03Å; F347-I427 WeakPolarHBondContact CA-O 3.23Å; F347-I427 WeakPolarHBondContact CB-O 3.25Å; F347-A435 HydrophobicContact CB-CB 3.57Å; F347-A435 HydrophobicContact CD1-CB 4.34Å; F347-A435 HydrophobicContact CD2-CB 4.28Å; F347-A435 WeakPolarHBondContact CD2-O 3.44Å; F347-A435 HydrophobicContact CG-CB 3.83Å
348S94.7Very high95.5Very high36 Ų3633.8 Ų33.825%0.25218%0.183SC..EExtended strand (participates in β ladder)trans56.1-130.5-172.9-56.30000111.2D200 L201 Y350 Y351 F352D200-S348 WeakPolarHBondContact OD1-CB 3.17Å; D200-S348 PolarHBondContact OD1-OG 3.4Å; L201-S348 VanDerWaalsContact O-CB 3.31Å; L201-S348 WeakPolarHBondContact O-CB 3.08Å; S348-Y350 PolarHBondContact O-N 3.48Å; S348-Y351 PolarHBondContact O-N 2.79Å; S348-Y351 VanDerWaalsContact O-N 3.1Å; S348-F352 WeakPolarHBondContact O-CD2 3.49Å; S348-F352 PolarHBondContact O-N 3.18Å; S348-F352 VanDerWaalsContact O-N 3.16Å
349A96.7Very high95.7Very high13 Ų1333.8 Ų33.811%0.10718%0.183CC..Hα-helixtrans-67.2-19.3-176.400000113.8L201 K246 F347 Y351 V353L201-A349 HydrophobicContact CB-CB 4.24Å; L201-A349 HydrophobicContact CD2-CB 4.1Å; L201-A349 HydrophobicContact CG-CB 3.96Å; L201-A349 WeakPolarHBondContact O-CB 3.14Å; L201-A349 PolarHBondContact O-N 3.02Å; K246-A349 HydrophobicContact CD-CB 3.84Å; F347-A349 PolarHBondContact O-N 3.21Å; A349-Y351 VanDerWaalsContact C-N 3.34Å; A349-V353 VanDerWaalsContact O-CB 3.25Å; A349-V353 WeakPolarHBondContact O-CB 3.14Å; A349-V353 VanDerWaalsContact O-CG2 3.23Å; A349-V353 WeakPolarHBondContact O-CG2 3.34Å; A349-V353 PolarHBondContact O-N 3.26Å; A349-V353 VanDerWaalsContact O-N 3.07Å
350Y98.3Very high95.8Very high0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-56.8-52168.6-77.6-66.1000110.3L199 L201 T206 A346 F347 S348 M354 I406 L409 L410 F426L199-Y350 HydrophobicContact CB-CD2 4.11Å; L199-Y350 HydrophobicContact CB-CE2 3.71Å; L201-Y350 HydrophobicContact CB-CD1 4.44Å; L201-Y350 HydrophobicContact CB-CD2 3.44Å; L201-Y350 VanDerWaalsContact CB-CD2 3.44Å; L201-Y350 HydrophobicContact CB-CE1 4.48Å; L201-Y350 HydrophobicContact CB-CE2 3.48Å; L201-Y350 VanDerWaalsContact CB-CE2 3.48Å; L201-Y350 HydrophobicContact CB-CG 3.94Å; L201-Y350 HydrophobicContact CD2-CD1 4.28Å; L201-Y350 HydrophobicContact CD2-CE1 4.31Å; L201-Y350 HydrophobicContact CD2-CG 4.46Å; T206-Y350 PolarHBondContact OG1-OH 3.22Å; A346-Y350 HydrophobicContact CB-CD2 4.11Å; A346-Y350 HydrophobicContact CB-CG 3.93Å; F347-Y350 WeakPolarHBondContact O-CB 3.49Å; F347-Y350 PolarHBondContact O-N 3.03Å; S348-Y350 PolarHBondContact O-N 3.48Å; Y350-M354 VanDerWaalsContact O-CB 3.26Å; Y350-M354 WeakPolarHBondContact O-CB 3.04Å; Y350-M354 WeakPolarHBondContact O-CG 3.04Å; Y350-M354 PolarHBondContact O-N 3.16Å; Y350-M354 VanDerWaalsContact O-N 3.14Å; Y350-I406 HydrophobicContact CD1-CB 4.33Å; Y350-I406 HydrophobicContact CD1-CD1 4.18Å; Y350-I406 HydrophobicContact CD1-CG1 3.85Å; Y350-I406 HydrophobicContact CD1-CG2 3.66Å; Y350-I406 HydrophobicContact CE1-CB 4.38Å; Y350-I406 HydrophobicContact CE1-CG1 4.05Å; Y350-I406 HydrophobicContact CE1-CG2 3.88Å; Y350-L409 WeakPolarHBondContact OH-CD2 3.33Å; Y350-L410 HydrophobicContact CE1-CD1 4.34Å; Y350-L410 HydrophobicContact CE1-CD2 4.01Å; Y350-L410 HydrophobicContact CE1-CG 4.15Å; Y350-F426 HydrophobicContact CD1-CE1 4.41Å
351Y97.2Very high95.8Very high38 Ų3835 Ų3515%0.14919%0.188CC..Hα-helixtrans-64.7-53.4179.4173.1-95.1000111.6S348 A349 V353 M354 N355 T360 F426 I427 K428S348-Y351 PolarHBondContact O-N 2.79Å; S348-Y351 VanDerWaalsContact O-N 3.1Å; A349-Y351 VanDerWaalsContact C-N 3.34Å; Y351-V353 VanDerWaalsContact C-N 3.33Å; Y351-V353 PolarHBondContact O-N 3.03Å; Y351-M354 PolarHBondContact O-N 3.46Å; Y351-N355 HydrophobicContact CE1-CB 4.08Å; Y351-N355 HydrophobicContact CE2-CB 4.11Å; Y351-N355 WeakPolarHBondContact O-CB 3.38Å; Y351-N355 PolarHBondContact O-N 3.47Å; Y351-N355 PolarHBondContact OH-OD1 3.02Å; Y351-T360 HydrophobicContact CD2-CG2 4.26Å; Y351-T360 HydrophobicContact CE2-CG2 4.23Å; Y351-F426 HydrophobicContact CD2-CB 4.25Å; Y351-I427 WeakPolarHBondContact CB-O 3.38Å; Y351-K428 HydrophobicContact CD1-CB 3.68Å; Y351-K428 HydrophobicContact CD1-CD 4.5Å; Y351-K428 HydrophobicContact CD1-CG 3.78Å; Y351-K428 HydrophobicContact CD2-CB 4.06Å; Y351-K428 HydrophobicContact CE1-CB 3.4Å; Y351-K428 HydrophobicContact CE1-CD 3.63Å; Y351-K428 HydrophobicContact CE1-CG 3.39Å; Y351-K428 HydrophobicContact CE2-CB 3.79Å; Y351-K428 HydrophobicContact CG-CB 4.02Å; Y351-K428 VanDerWaalsContact CZ-CB 3.45Å
352F95.7Very high95.8Very high116 Ų11632.6 Ų32.651%0.50918%0.179SC..Hα-helixtrans-63.7-36.7-172.4-69.1-68.3000113.5S348 F356S348-F352 WeakPolarHBondContact O-CD2 3.49Å; S348-F352 PolarHBondContact O-N 3.18Å; S348-F352 VanDerWaalsContact O-N 3.16Å; F352-F356 WeakPolarHBondContact O-CB 3.14Å; F352-F356 PolarHBondContact O-N 2.84Å
353V97.9Very high95.7Very high5 Ų536.2 Ų36.23%0.0320%0.202CC..Hα-helixtrans-71.6-49.4177.1172.10000110.6A349 Y351 N355 F356 L357 Y399 I406A349-V353 VanDerWaalsContact O-CB 3.25Å; A349-V353 WeakPolarHBondContact O-CB 3.14Å; A349-V353 VanDerWaalsContact O-CG2 3.23Å; A349-V353 WeakPolarHBondContact O-CG2 3.34Å; A349-V353 PolarHBondContact O-N 3.26Å; A349-V353 VanDerWaalsContact O-N 3.07Å; Y351-V353 VanDerWaalsContact C-N 3.33Å; Y351-V353 PolarHBondContact O-N 3.03Å; V353-N355 VanDerWaalsContact C-N 3.3Å; V353-N355 PolarHBondContact O-N 3.31Å; V353-F356 PolarHBondContact O-N 2.9Å; V353-L357 HydrophobicContact CG1-CD1 3.84Å; V353-L357 WeakPolarHBondContact O-CG 3.47Å; V353-L357 PolarHBondContact O-N 2.94Å; V353-L357 VanDerWaalsContact O-N 3.14Å; V353-Y399 HydrophobicContact CB-CD1 4.47Å; V353-Y399 HydrophobicContact CG1-CD1 4.21Å; V353-Y399 HydrophobicContact CG2-CD1 4.3Å; V353-Y399 HydrophobicContact CG2-CE1 4.29Å; V353-I406 HydrophobicContact CB-CD1 3.58Å; V353-I406 HydrophobicContact CG1-CD1 3.63Å; V353-I406 HydrophobicContact CG2-CD1 4.12Å
354M97.8Very high95.6Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-67.7-33.8-178-61.7-59.9-79.400111.6Y350 Y351 L357 N358 L359 T360 V369 I406 F426Y350-M354 VanDerWaalsContact O-CB 3.26Å; Y350-M354 WeakPolarHBondContact O-CB 3.04Å; Y350-M354 WeakPolarHBondContact O-CG 3.04Å; Y350-M354 PolarHBondContact O-N 3.16Å; Y350-M354 VanDerWaalsContact O-N 3.14Å; Y351-M354 PolarHBondContact O-N 3.46Å; M354-L357 CarbonylContact O-C 3.51Å; M354-L357 PolarHBondContact O-N 2.9Å; M354-N358 PolarHBondContact O-N 3.18Å; M354-N358 VanDerWaalsContact O-N 3.09Å; M354-L359 HydrophobicContact CB-CB 4.42Å; M354-L359 HydrophobicContact CE-CB 3.47Å; M354-L359 VanDerWaalsContact CE-CB 3.47Å; M354-L359 HydrophobicContact CE-CD1 4.18Å; M354-L359 HydrophobicContact CE-CG 4.47Å; M354-L359 WeakPolarHBondContact CE-O 3.07Å; M354-L359 PolarHBondContact O-N 2.84Å; M354-L359 HydrophobicContact SD-CB 4.24Å; M354-L359 HydrophobicContact SD-CD1 4.48Å; M354-T360 HydrophobicContact CB-CG2 4.1Å; M354-V369 HydrophobicContact CE-CG1 4.37Å; M354-I406 HydrophobicContact CG-CD1 4.38Å; M354-I406 HydrophobicContact CG-CG2 4.2Å; M354-I406 HydrophobicContact SD-CB 4.48Å; M354-I406 HydrophobicContact SD-CD1 4.49Å; M354-I406 HydrophobicContact SD-CG2 3.86Å; M354-F426 HydrophobicContact CB-CD1 4.09Å; M354-F426 HydrophobicContact CB-CE1 4.19Å; M354-F426 HydrophobicContact CB-CG 4.36Å; M354-F426 HydrophobicContact CE-CE2 4.37Å; M354-F426 HydrophobicContact CE-CZ 3.97Å; M354-F426 HydrophobicContact CG-CD1 3.93Å; M354-F426 HydrophobicContact CG-CE1 3.56Å; M354-F426 HydrophobicContact CG-CZ 3.91Å
355N97.3Very high95.4Very high76 Ų7639.4 Ų39.441%0.40622%0.219SC..Hα-helixtrans-66.4-45175.7-176.381.6000111.8Y351 V353 L357 N358 T360Y351-N355 HydrophobicContact CE1-CB 4.08Å; Y351-N355 HydrophobicContact CE2-CB 4.11Å; Y351-N355 WeakPolarHBondContact O-CB 3.38Å; Y351-N355 PolarHBondContact O-N 3.47Å; Y351-N355 PolarHBondContact OH-OD1 3.02Å; V353-N355 VanDerWaalsContact C-N 3.3Å; V353-N355 PolarHBondContact O-N 3.31Å; N355-L357 PolarHBondContact O-N 3.47Å; N355-N358 PolarHBondContact O-N 2.78Å; N355-N358 VanDerWaalsContact O-N 3.09Å; N355-T360 HydrophobicContact CB-CG2 3.81Å
356F97.4Very high95.3Very high43 Ų4340 Ų4019%0.18922%0.222CC..Hα-helixtrans-58.3-40.3175.3174.6-92.5000111.8F352 V353 N358 Y376 H388 V391 L396 Y399F352-F356 WeakPolarHBondContact O-CB 3.14Å; F352-F356 PolarHBondContact O-N 2.84Å; V353-F356 PolarHBondContact O-N 2.9Å; F356-N358 PolarHBondContact O-N 2.87Å; F356-Y376 AromaticContact CE1-CE2 3.83Å; F356-Y376 HydrophobicContact CE1-CE2 3.83Å; F356-Y376 AromaticContact CE1-CZ 3.82Å; F356-Y376 WeakPolarHBondContact CE1-OH 2.8Å; F356-Y376 HydrophobicContact CZ-CE2 4.5Å; F356-H388 AromaticContact CE2-ND1 3.84Å; F356-H388 AromaticContact CZ-CD2 3.83Å; F356-H388 AromaticContact CZ-CE1 3.94Å; F356-H388 AromaticContact CZ-CG 3.93Å; F356-H388 AromaticContact CZ-NE2 3.83Å; F356-V391 HydrophobicContact CE2-CG2 4.09Å; F356-L396 HydrophobicContact CE1-CD1 4.29Å; F356-L396 HydrophobicContact CE2-CD1 4.21Å; F356-L396 HydrophobicContact CZ-CD1 3.51Å; F356-Y399 HydrophobicContact CB-CD1 4.21Å; F356-Y399 HydrophobicContact CB-CE1 3.69Å; F356-Y399 HydrophobicContact CB-CE2 4.34Å; F356-Y399 AromaticContact CD1-CD1 3.62Å; F356-Y399 HydrophobicContact CD1-CD1 3.62Å; F356-Y399 AromaticContact CD1-CD2 3.27Å; F356-Y399 HydrophobicContact CD1-CD2 3.27Å; F356-Y399 AromaticContact CD1-CE1 3.81Å; F356-Y399 HydrophobicContact CD1-CE1 3.81Å; F356-Y399 AromaticContact CD1-CE2 3.49Å; F356-Y399 HydrophobicContact CD1-CE2 3.49Å; F356-Y399 VanDerWaalsContact CD1-CE2 3.49Å; F356-Y399 AromaticContact CD1-CG 3.35Å; F356-Y399 HydrophobicContact CD1-CG 3.35Å; F356-Y399 AromaticContact CD1-CZ 3.75Å; F356-Y399 HydrophobicContact CD2-CD2 4.25Å; F356-Y399 AromaticContact CD2-CE2 3.66Å; F356-Y399 HydrophobicContact CD2-CE2 3.66Å; F356-Y399 AromaticContact CD2-CZ 3.81Å; F356-Y399 HydrophobicContact CE1-CD1 4.33Å; F356-Y399 AromaticContact CE1-CD2 3.18Å; F356-Y399 HydrophobicContact CE1-CD2 3.18Å; F356-Y399 AromaticContact CE1-CE2 3.62Å; F356-Y399 HydrophobicContact CE1-CE2 3.62Å; F356-Y399 AromaticContact CE1-CG 3.61Å; F356-Y399 HydrophobicContact CE1-CG 3.61Å; F356-Y399 HydrophobicContact CE2-CD2 4.18Å; F356-Y399 AromaticContact CE2-CE2 3.78Å; F356-Y399 HydrophobicContact CE2-CE2 3.78Å; F356-Y399 HydrophobicContact CG-CD1 4.05Å; F356-Y399 AromaticContact CG-CD2 3.84Å; F356-Y399 HydrophobicContact CG-CD2 3.84Å; F356-Y399 AromaticContact CG-CE1 3.73Å; F356-Y399 HydrophobicContact CG-CE1 3.73Å; F356-Y399 AromaticContact CG-CE2 3.52Å; F356-Y399 HydrophobicContact CG-CE2 3.52Å; F356-Y399 HydrophobicContact CG-CG 4.11Å; F356-Y399 AromaticContact CG-CZ 3.45Å; F356-Y399 VanDerWaalsContact CG-CZ 3.45Å; F356-Y399 AromaticContact CZ-CD2 3.67Å; F356-Y399 HydrophobicContact CZ-CD2 3.67Å; F356-Y399 AromaticContact CZ-CE2 3.77Å; F356-Y399 HydrophobicContact CZ-CE2 3.77Å
357L97.1Very high95.1Very high21 Ų2145 Ų4511%0.1125%0.246CC..THydrogen-bonded Turntrans-80.6-1.6180-64.9167.7000113.8V353 M354 N355 L359 L373 Y376V353-L357 HydrophobicContact CG1-CD1 3.84Å; V353-L357 WeakPolarHBondContact O-CG 3.47Å; V353-L357 PolarHBondContact O-N 2.94Å; V353-L357 VanDerWaalsContact O-N 3.14Å; M354-L357 CarbonylContact O-C 3.51Å; M354-L357 PolarHBondContact O-N 2.9Å; N355-L357 PolarHBondContact O-N 3.47Å; L357-L359 HydrophobicContact CB-CB 4.49Å; L357-L359 HydrophobicContact CB-CD1 3.71Å; L357-L359 HydrophobicContact CB-CG 3.9Å; L357-L359 HydrophobicContact CD1-CD1 4.26Å; L357-L359 WeakPolarHBondContact O-CG 3.43Å; L357-L373 HydrophobicContact CD1-CD2 3.68Å; L357-Y376 HydrophobicContact CD2-CD1 3.67Å; L357-Y376 HydrophobicContact CD2-CD2 3.83Å; L357-Y376 HydrophobicContact CD2-CE1 3.83Å; L357-Y376 HydrophobicContact CD2-CE2 3.96Å; L357-Y376 HydrophobicContact CD2-CG 3.7Å
358N96.9Very high95.1Very high130 Ų13047.9 Ų47.970%0.69526%0.263SS*.THydrogen-bonded Turntrans57.244.4-173.5-164.837.4000113.4M354 N355 F356M354-N358 PolarHBondContact O-N 3.18Å; M354-N358 VanDerWaalsContact O-N 3.09Å; N355-N358 PolarHBondContact O-N 2.78Å; N355-N358 VanDerWaalsContact O-N 3.09Å; F356-N358 PolarHBondContact O-N 2.87Å
359L96.4Very high95.2Very high3 Ų346.2 Ų46.22%0.01625%0.252CS..  trans-122.919.7-176.2-59.8174.4000113M354 L357 D361 V369 N372 L373M354-L359 HydrophobicContact CB-CB 4.42Å; M354-L359 HydrophobicContact CE-CB 3.47Å; M354-L359 VanDerWaalsContact CE-CB 3.47Å; M354-L359 HydrophobicContact CE-CD1 4.18Å; M354-L359 HydrophobicContact CE-CG 4.47Å; M354-L359 WeakPolarHBondContact CE-O 3.07Å; M354-L359 PolarHBondContact O-N 2.84Å; M354-L359 HydrophobicContact SD-CB 4.24Å; M354-L359 HydrophobicContact SD-CD1 4.48Å; L357-L359 HydrophobicContact CB-CB 4.49Å; L357-L359 HydrophobicContact CB-CD1 3.71Å; L357-L359 HydrophobicContact CB-CG 3.9Å; L357-L359 HydrophobicContact CD1-CD1 4.26Å; L357-L359 WeakPolarHBondContact O-CG 3.43Å; L359-D361 VanDerWaalsContact C-N 3.33Å; L359-V369 HydrophobicContact CD1-CG1 4.06Å; L359-V369 HydrophobicContact CD2-CG1 4.22Å; L359-N372 HydrophobicContact CD2-CB 3.94Å; L359-L373 HydrophobicContact CD1-CD1 4.29Å; L359-L373 HydrophobicContact CD1-CD2 3.83Å; L359-L373 HydrophobicContact CD1-CG 3.73Å
360T95.9Very high95.2Very high40 Ų4047.3 Ų47.325%0.24525%0.254CS..  trans-76.6-19.6177.848.20000113.7Y351 M354 N355 S362 F426Y351-T360 HydrophobicContact CD2-CG2 4.26Å; Y351-T360 HydrophobicContact CE2-CG2 4.23Å; M354-T360 HydrophobicContact CB-CG2 4.1Å; N355-T360 HydrophobicContact CB-CG2 3.81Å; T360-S362 PolarHBondContact O-N 2.03Å; T360-F426 HydrophobicContact CG2-CB 3.87Å; T360-F426 HydrophobicContact CG2-CG 4.41Å; T360-F426 WeakPolarHBondContact O-CD2 3.44Å
361D93.1Very high95.2Very high82 Ų8249.5 Ų49.544%0.43927%0.272SS..  trans-77.2102.5176.7-176.9-0.2000110.3L359 S363 I364L359-D361 VanDerWaalsContact C-N 3.33Å; D361-S363 PolarHBondContact O-N 3.3Å; D361-S363 VanDerWaalsContact OD1-CB 3.22Å; D361-S363 WeakPolarHBondContact OD1-CB 3.28Å; D361-S363 PolarHBondContact OD1-N 3.31Å; D361-S363 PolarHBondContact OD1-OG 3.3Å; D361-S363 PolarHBondContact OD2-OG 2.7Å; D361-S363 VanDerWaalsContact OD2-OG 3.11Å; D361-I364 HydrophobicContact CB-CD1 3.93Å; D361-I364 HydrophobicContact CB-CG1 4.09Å; D361-I364 WeakPolarHBondContact O-CB 3.11Å; D361-I364 WeakPolarHBondContact O-CG1 3.22Å; D361-I364 PolarHBondContact O-N 3.25Å
362S87.4Confident95.2Very high21 Ų2150.9 Ų50.915%0.14728%0.282CS..THydrogen-bonded Turntrans-77.4-2.2-179.957.80000114.2T360 S422 I424T360-S362 PolarHBondContact O-N 2.03Å; S362-S422 WeakPolarHBondContact O-CA 3.16Å; S362-S422 WeakPolarHBondContact O-CB 3.14Å; S362-S422 PolarHBondContact OG-O 2.8Å; S362-I424 WeakPolarHBondContact CB-O 3.25Å; S362-I424 PolarHBondContact OG-O 2.88Å
363S88.4Confident95.3Very high90 Ų9045.4 Ų45.463%0.62926%0.258SS*.THydrogen-bonded Turntrans-73.5-19.9167.777.30000112.3D361D361-S363 PolarHBondContact O-N 3.3Å; D361-S363 VanDerWaalsContact OD1-CB 3.22Å; D361-S363 WeakPolarHBondContact OD1-CB 3.28Å; D361-S363 PolarHBondContact OD1-N 3.31Å; D361-S363 PolarHBondContact OD1-OG 3.3Å; D361-S363 PolarHBondContact OD2-OG 2.7Å; D361-S363 VanDerWaalsContact OD2-OG 3.11Å
364I91.6Very high95.4Very high40 Ų4046.3 Ų46.321%0.20527%0.266CS..SBendtrans-65.7128.5175.2-60.9175.9000109.2D361 L366 T368 V369D361-I364 HydrophobicContact CB-CD1 3.93Å; D361-I364 HydrophobicContact CB-CG1 4.09Å; D361-I364 WeakPolarHBondContact O-CB 3.11Å; D361-I364 WeakPolarHBondContact O-CG1 3.22Å; D361-I364 PolarHBondContact O-N 3.25Å; I364-L366 PolarHBondContact O-N 3.43Å; I364-T368 HydrophobicContact CG2-CG2 3.69Å; I364-V369 HydrophobicContact CB-CG2 4.34Å; I364-V369 HydrophobicContact CG2-CG2 3.94Å
365P93.6Very high95.4Very high73 Ų7351.7 Ų51.747%0.47430%0.295SS..  trans-57.9139177.8-25.334.4000112.4E367 T368 V369P365-E367 PolarHBondContact O-N 2.8Å; P365-E367 VanDerWaalsContact O-N 3.07Å; P365-T368 WeakPolarHBondContact O-CA 3.37Å; P365-T368 VanDerWaalsContact O-CB 3.28Å; P365-T368 WeakPolarHBondContact O-CB 3.19Å; P365-T368 PolarHBondContact O-N 3.34Å; P365-V369 PolarHBondContact O-N 3.48Å; P365-V369 VanDerWaalsContact O-N 3.08Å
366L93.8Very high95.4Very high12 Ų1249.5 Ų49.56%0.06328%0.281CS..Hα-helixtrans-51.8-36.5-178.6179.260.8000113.7I364 T368 V369 K370 V407 T411 F421I364-L366 PolarHBondContact O-N 3.43Å; L366-T368 VanDerWaalsContact C-N 3.32Å; L366-T368 PolarHBondContact O-N 3.46Å; L366-V369 WeakPolarHBondContact O-CB 3.22Å; L366-V369 PolarHBondContact O-N 2.88Å; L366-K370 WeakPolarHBondContact O-CG 3.23Å; L366-K370 PolarHBondContact O-N 3.15Å; L366-V407 HydrophobicContact CD1-CG1 4.22Å; L366-T411 HydrophobicContact CD1-CG2 3.98Å; L366-T411 HydrophobicContact CD2-CG2 3.68Å; L366-T411 HydrophobicContact CG-CG2 4.46Å; L366-F421 HydrophobicContact CD1-CD1 4.37Å; L366-F421 HydrophobicContact CD1-CD2 3.99Å; L366-F421 HydrophobicContact CD1-CE1 4.32Å; L366-F421 HydrophobicContact CD1-CE2 3.94Å; L366-F421 HydrophobicContact CD1-CG 4.21Å; L366-F421 HydrophobicContact CD1-CZ 4.1Å
367E94.3Very high95.5Very high105 Ų10547.4 Ų47.449%0.49127%0.272SS..Hα-helixtrans-67.6-32.5176.7-63.7-53127.200112.7P365 K370 A371P365-E367 PolarHBondContact O-N 2.8Å; P365-E367 VanDerWaalsContact O-N 3.07Å; E367-K370 PolarHBondContact O-N 3.39Å; E367-K370 IonicContact OE1-NZ 3.68Å; E367-K370 PolarHBondContact OE1-NZ 2.75Å; E367-K370 IonicContact OE2-NZ 3.48Å; E367-A371 WeakPolarHBondContact O-CB 3.12Å; E367-A371 PolarHBondContact O-N 3.49Å
368T96.1Very high95.6Very high61 Ų6148.1 Ų48.137%0.37428%0.284SS..Hα-helixtrans-70.2-38.9172.3-53.90000111I364 P365 L366 K370 A371 N372I364-T368 HydrophobicContact CG2-CG2 3.69Å; P365-T368 WeakPolarHBondContact O-CA 3.37Å; P365-T368 VanDerWaalsContact O-CB 3.28Å; P365-T368 WeakPolarHBondContact O-CB 3.19Å; P365-T368 PolarHBondContact O-N 3.34Å; L366-T368 VanDerWaalsContact C-N 3.32Å; L366-T368 PolarHBondContact O-N 3.46Å; T368-K370 VanDerWaalsContact C-N 3.34Å; T368-K370 PolarHBondContact O-N 2.97Å; T368-A371 PolarHBondContact O-N 3.4Å; T368-N372 WeakPolarHBondContact O-CB 3.41Å; T368-N372 VanDerWaalsContact O-CG 3.3Å; T368-N372 PolarHBondContact O-N 3.22Å
369V96.1Very high95.6Very high1 Ų143.3 Ų43.31%0.00626%0.259CS..Hα-helixtrans-57.5-47.8172.4177.70000110.7M354 L359 I364 P365 L366 A371 N372 L373 V407 F421M354-V369 HydrophobicContact CE-CG1 4.37Å; L359-V369 HydrophobicContact CD1-CG1 4.06Å; L359-V369 HydrophobicContact CD2-CG1 4.22Å; I364-V369 HydrophobicContact CB-CG2 4.34Å; I364-V369 HydrophobicContact CG2-CG2 3.94Å; P365-V369 PolarHBondContact O-N 3.48Å; P365-V369 VanDerWaalsContact O-N 3.08Å; L366-V369 WeakPolarHBondContact O-CB 3.22Å; L366-V369 PolarHBondContact O-N 2.88Å; V369-A371 PolarHBondContact O-N 2.97Å; V369-N372 PolarHBondContact O-N 3.03Å; V369-L373 HydrophobicContact CG1-CD1 4.43Å; V369-L373 PolarHBondContact O-N 3.19Å; V369-V407 HydrophobicContact CG1-CG2 4.02Å; V369-F421 HydrophobicContact CG2-CE1 4.34Å
370K97.1Very high95.7Very high37 Ų3745.6 Ų45.616%0.16128%0.275CS..Hα-helixtrans-61.8-41.9176.1-68.6175.8-174.8166.20112.5F309 L366 E367 T368 L373 A374 V407F309-K370 HydrophobicContact CE1-CB 3.84Å; F309-K370 HydrophobicContact CE1-CG 4.07Å; F309-K370 HydrophobicContact CZ-CB 4.03Å; F309-K370 HydrophobicContact CZ-CG 3.92Å; L366-K370 WeakPolarHBondContact O-CG 3.23Å; L366-K370 PolarHBondContact O-N 3.15Å; E367-K370 PolarHBondContact O-N 3.39Å; E367-K370 IonicContact OE1-NZ 3.68Å; E367-K370 PolarHBondContact OE1-NZ 2.75Å; E367-K370 IonicContact OE2-NZ 3.48Å; T368-K370 VanDerWaalsContact C-N 3.34Å; T368-K370 PolarHBondContact O-N 2.97Å; K370-L373 PolarHBondContact O-N 2.76Å; K370-A374 WeakPolarHBondContact O-CB 3.42Å; K370-A374 PolarHBondContact O-N 3.37Å; K370-V407 HydrophobicContact CG-CG1 4.38Å
371A98.1Very high95.8Very high45 Ų4544.8 Ų44.837%0.37227%0.267SS..Hα-helixtrans-64.5-42.5177.500000112.4E367 T368 V369 L373 A374 N375E367-A371 WeakPolarHBondContact O-CB 3.12Å; E367-A371 PolarHBondContact O-N 3.49Å; T368-A371 PolarHBondContact O-N 3.4Å; V369-A371 PolarHBondContact O-N 2.97Å; A371-L373 VanDerWaalsContact C-N 3.35Å; A371-L373 PolarHBondContact O-N 3.22Å; A371-A374 WeakPolarHBondContact O-CB 3.42Å; A371-A374 PolarHBondContact O-N 2.64Å; A371-N375 PolarHBondContact O-N 3.45Å
372N98Very high96.1Very high68 Ų6845.6 Ų45.636%0.36427%0.271SS..Hα-helixtrans-62.9-41.8176-71.9-9.9000111.5L359 T368 V369 N375 Y376L359-N372 HydrophobicContact CD2-CB 3.94Å; T368-N372 WeakPolarHBondContact O-CB 3.41Å; T368-N372 VanDerWaalsContact O-CG 3.3Å; T368-N372 PolarHBondContact O-N 3.22Å; V369-N372 PolarHBondContact O-N 3.03Å; N372-N375 PolarHBondContact O-N 2.82Å; N372-Y376 PolarHBondContact O-N 2.9Å
373L97.8Very high96.6Very high0 Ų048.5 Ų48.50%028%0.283CS..Hα-helixtrans-62.5-41.5172.4-78.1172000112.4F309 L357 L359 V369 K370 A371 N375 Y376 C377 V407F309-L373 HydrophobicContact CD2-CB 3.66Å; F309-L373 HydrophobicContact CD2-CD1 4.42Å; F309-L373 HydrophobicContact CE2-CB 3.76Å; F309-L373 HydrophobicContact CE2-CD1 3.75Å; F309-L373 HydrophobicContact CE2-CG 4.39Å; F309-L373 HydrophobicContact CG-CB 4.35Å; F309-L373 HydrophobicContact CZ-CD1 4.45Å; L357-L373 HydrophobicContact CD1-CD2 3.68Å; L359-L373 HydrophobicContact CD1-CD1 4.29Å; L359-L373 HydrophobicContact CD1-CD2 3.83Å; L359-L373 HydrophobicContact CD1-CG 3.73Å; V369-L373 HydrophobicContact CG1-CD1 4.43Å; V369-L373 PolarHBondContact O-N 3.19Å; K370-L373 PolarHBondContact O-N 2.76Å; A371-L373 VanDerWaalsContact C-N 3.35Å; A371-L373 PolarHBondContact O-N 3.22Å; L373-N375 VanDerWaalsContact C-N 3.32Å; L373-N375 PolarHBondContact O-N 2.79Å; L373-Y376 PolarHBondContact O-N 3.01Å; L373-C377 VanDerWaalsContact O-CB 3.29Å; L373-C377 WeakPolarHBondContact O-CB 3.37Å; L373-C377 PolarHBondContact O-N 3.06Å; L373-C377 PolarHBondContact O-SG 3.06Å; L373-C377 VanDerWaalsContact O-SG 3.38Å; L373-V407 HydrophobicContact CD1-CB 4.31Å; L373-V407 HydrophobicContact CD1-CG2 3.57Å
374A98.6Very high97Very high24 Ų2444.3 Ų44.320%0.19825%0.253CS..Hα-helixtrans-59.6-43.417600000112.2F309 K370 A371 G378F309-A374 VanDerWaalsContact CB-CA 3.48Å; F309-A374 HydrophobicContact CB-CB 3.82Å; F309-A374 HydrophobicContact CD1-CB 4.21Å; F309-A374 HydrophobicContact CG-CB 4.21Å; K370-A374 WeakPolarHBondContact O-CB 3.42Å; K370-A374 PolarHBondContact O-N 3.37Å; A371-A374 WeakPolarHBondContact O-CB 3.42Å; A371-A374 PolarHBondContact O-N 2.64Å; A374-G378 PolarHBondContact O-N 3.49Å
375N98.4Very high97.3Very high113 Ų11346 Ų4660%0.60426%0.259SS*.Hα-helixtrans-64.3-46.8175.4-69.7-14.9000111.8A371 N372 L373 G378 T379A371-N375 PolarHBondContact O-N 3.45Å; N372-N375 PolarHBondContact O-N 2.82Å; L373-N375 VanDerWaalsContact C-N 3.32Å; L373-N375 PolarHBondContact O-N 2.79Å; N375-G378 PolarHBondContact O-N 2.59Å; N375-T379 PolarHBondContact O-N 3.12Å; N375-T379 PolarHBondContact O-OG1 3.17Å
376Y98.3Very high97.4Very high30 Ų3049.7 Ų49.712%0.11827%0.27CS..Hα-helixtrans-58.8-52.6177.3179.5-92.8000111.3H271 F356 L357 N372 L373 G378 T379 I384 L396 C400H271-Y376 AromaticContact CE1-CD1 3.67Å; H271-Y376 AromaticContact CE1-CE1 3.26Å; H271-Y376 WeakPolarHBondContact CE1-CE1 3.32Å; H271-Y376 AromaticContact CE1-CZ 3.61Å; H271-Y376 PolarHBondContact CE1-O 3.01Å; H271-Y376 PolarHBondContact ND1-O 2.83Å; H271-Y376 AromaticContact NE2-CE1 3.29Å; H271-Y376 VanDerWaalsContact NE2-CE1 3.29Å; H271-Y376 WeakPolarHBondContact NE2-CE1 3.45Å; H271-Y376 AromaticContact NE2-CZ 3.58Å; H271-Y376 PolarHBondContact NE2-OH 2.86Å; F356-Y376 AromaticContact CE1-CE2 3.83Å; F356-Y376 HydrophobicContact CE1-CE2 3.83Å; F356-Y376 AromaticContact CE1-CZ 3.82Å; F356-Y376 WeakPolarHBondContact CE1-OH 2.8Å; F356-Y376 HydrophobicContact CZ-CE2 4.5Å; L357-Y376 HydrophobicContact CD2-CD1 3.67Å; L357-Y376 HydrophobicContact CD2-CD2 3.83Å; L357-Y376 HydrophobicContact CD2-CE1 3.83Å; L357-Y376 HydrophobicContact CD2-CE2 3.96Å; L357-Y376 HydrophobicContact CD2-CG 3.7Å; N372-Y376 PolarHBondContact O-N 2.9Å; L373-Y376 PolarHBondContact O-N 3.01Å; Y376-G378 VanDerWaalsContact C-N 3.29Å; Y376-G378 PolarHBondContact O-N 2.7Å; Y376-T379 WeakPolarHBondContact O-CB 3.49Å; Y376-T379 PolarHBondContact O-N 3.49Å; Y376-T379 VanDerWaalsContact O-N 3.09Å; Y376-T379 PolarHBondContact O-OG1 2.92Å; Y376-I384 HydrophobicContact CD2-CD1 4.16Å; Y376-I384 HydrophobicContact CE2-CD1 3.75Å; Y376-L396 PolarHBondContact OH-O 3Å; Y376-C400 HydrophobicContact CD1-CB 4.16Å; Y376-C400 HydrophobicContact CE1-CB 4.07Å
377C98.5Very high97.5Very high0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-60-36.5179.4-75.90000113.3P272 G307 F309 L373 T379 C400P272-C377 WeakPolarHBondContact CD-O 3.37Å; G307-C377 WeakPolarHBondContact CA-O 3.44Å; F309-C377 HydrophobicContact CB-CB 4.3Å; L373-C377 VanDerWaalsContact O-CB 3.29Å; L373-C377 WeakPolarHBondContact O-CB 3.37Å; L373-C377 PolarHBondContact O-N 3.06Å; L373-C377 PolarHBondContact O-SG 3.06Å; L373-C377 VanDerWaalsContact O-SG 3.38Å; C377-T379 VanDerWaalsContact C-N 3.28Å; C377-T379 PolarHBondContact O-N 3.37Å; C377-C400 VanDerWaalsContact CA-SG 3.6Å; C377-C400 HydrophobicContact CB-CB 4.08Å; C377-C400 WeakPolarHBondContact CB-SG 3.48Å; C377-C400 VanDerWaalsContact SG-CA 3.57Å; C377-C400 WeakPolarHBondContact SG-CB 3.3Å; C377-C400 CovalentContact SG-SG 2.03Å; C377-C400 PolarHBondContact SG-SG 2.76Å
378G98.4Very high97.6Very high35 Ų3550.9 Ų50.936%0.36128%0.275SS..Hα-helixtrans-77.5-8.417800000114.7A374 N375 Y376A374-G378 PolarHBondContact O-N 3.49Å; N375-G378 PolarHBondContact O-N 2.59Å; Y376-G378 VanDerWaalsContact C-N 3.29Å; Y376-G378 PolarHBondContact O-N 2.7Å
379T98.5Very high97.6Very high29 Ų2953 Ų5318%0.17829%0.29CS..SBendtrans-74.5129.5-179.2-59.60000110.5H271 P272 N375 Y376 C377 Q383 I384H271-T379 WeakPolarHBondContact CB-O 3.18Å; H271-T379 PolarHBondContact ND1-O 2.79Å; P272-T379 WeakPolarHBondContact CD-O 3.38Å; N375-T379 PolarHBondContact O-N 3.12Å; N375-T379 PolarHBondContact O-OG1 3.17Å; Y376-T379 WeakPolarHBondContact O-CB 3.49Å; Y376-T379 PolarHBondContact O-N 3.49Å; Y376-T379 VanDerWaalsContact O-N 3.09Å; Y376-T379 PolarHBondContact O-OG1 2.92Å; C377-T379 VanDerWaalsContact C-N 3.28Å; C377-T379 PolarHBondContact O-N 3.37Å; T379-Q383 HydrophobicContact CG2-CB 4.09Å; T379-Q383 HydrophobicContact CG2-CG 3.98Å; T379-I384 HydrophobicContact CG2-CD1 3.68Å; T379-I384 HydrophobicContact CG2-CG1 3.84Å
380P98.5Very high97.5Very high52 Ų5259.5 Ų59.534%0.33832%0.32SS..  trans-55.4143.1179.7-2937.1000114.2N382 Q383 I384P380-N382 VanDerWaalsContact C-N 3.33Å; P380-N382 WeakPolarHBondContact CB-OD1 3.43Å; P380-N382 PolarHBondContact O-N 3.44Å; P380-Q383 WeakPolarHBondContact O-CB 3.44Å; P380-Q383 PolarHBondContact O-N 3.23Å; P380-I384 PolarHBondContact O-N 3.22Å; P380-I384 VanDerWaalsContact O-N 3.08Å
381W98.3Very high97.3Very high22 Ų2259.2 Ų59.28%0.08332%0.321CS..Hα-helixtrans-60.1-38.6-174178.9-126.8000113.7H271 P272 Y274 Q383 I384 K385 E393 L396 A397H271-W381 HydrophobicContact CB-CB 4.04Å; H271-W381 HydrophobicContact CB-CE3 4.14Å; H271-W381 AromaticContact CD2-CE3 3.82Å; P272-W381 PolarHBondContact O-N 2.59Å; Y274-W381 AromaticContact CD2-CD2 3.92Å; Y274-W381 HydrophobicContact CD2-CD2 3.92Å; Y274-W381 AromaticContact CD2-CE2 3.73Å; Y274-W381 HydrophobicContact CD2-CE3 4.42Å; Y274-W381 HydrophobicContact CD2-CG 4.21Å; Y274-W381 HydrophobicContact CD2-CZ2 4.11Å; Y274-W381 AromaticContact CD2-NE1 3.87Å; Y274-W381 HydrophobicContact CE2-CZ2 4.29Å; W381-Q383 VanDerWaalsContact C-N 3.3Å; W381-Q383 PolarHBondContact O-N 3.05Å; W381-I384 HydrophobicContact CE3-CB 4.17Å; W381-I384 HydrophobicContact CE3-CG2 4.01Å; W381-I384 HydrophobicContact CZ3-CB 4.44Å; W381-I384 HydrophobicContact CZ3-CG2 3.79Å; W381-I384 PolarHBondContact O-N 2.84Å; W381-K385 HydrophobicContact CD2-CD 4.45Å; W381-K385 HydrophobicContact CD2-CG 4.08Å; W381-K385 HydrophobicContact CE3-CG 4.44Å; W381-K385 HydrophobicContact CH2-CG 4.12Å; W381-K385 HydrophobicContact CZ2-CD 3.72Å; W381-K385 HydrophobicContact CZ2-CG 3.73Å; W381-K385 HydrophobicContact CZ3-CG 4.46Å; W381-K385 WeakPolarHBondContact O-CG 3.36Å; W381-K385 PolarHBondContact O-N 3.11Å; W381-E393 HydrophobicContact CZ2-CB 4.41Å; W381-L396 HydrophobicContact CH2-CB 4.04Å; W381-L396 HydrophobicContact CH2-CD2 4.14Å; W381-L396 HydrophobicContact CH2-CG 3.98Å; W381-L396 HydrophobicContact CZ3-CB 4.41Å; W381-L396 HydrophobicContact CZ3-CD2 4.31Å; W381-L396 HydrophobicContact CZ3-CG 3.96Å; W381-A397 HydrophobicContact CH2-CB 3.71Å; W381-A397 HydrophobicContact CZ2-CB 4.31Å; W381-A397 HydrophobicContact CZ3-CB 4.12Å
382N97.6Very high97.1Very high100 Ų10064.5 Ų64.554%0.53534%0.336SS..Hα-helixtrans-61.5-38.9176.362.3-26.7000112.2P380 Q386P380-N382 VanDerWaalsContact C-N 3.33Å; P380-N382 WeakPolarHBondContact CB-OD1 3.43Å; P380-N382 PolarHBondContact O-N 3.44Å; N382-Q386 VanDerWaalsContact O-CG 3.29Å; N382-Q386 WeakPolarHBondContact O-CG 3.11Å; N382-Q386 PolarHBondContact O-N 3.07Å; N382-Q386 VanDerWaalsContact O-N 3.12Å
383Q98.1Very high96.8Very high82 Ų8266.4 Ų66.438%0.38334%0.343SS..Hα-helixtrans-69.5-44.1177.8-177.3175.62.600111.1T379 P380 W381 K385 Q386 Q387T379-Q383 HydrophobicContact CG2-CB 4.09Å; T379-Q383 HydrophobicContact CG2-CG 3.98Å; P380-Q383 WeakPolarHBondContact O-CB 3.44Å; P380-Q383 PolarHBondContact O-N 3.23Å; W381-Q383 VanDerWaalsContact C-N 3.3Å; W381-Q383 PolarHBondContact O-N 3.05Å; Q383-K385 VanDerWaalsContact C-N 3.3Å; Q383-K385 PolarHBondContact O-N 3.23Å; Q383-Q386 PolarHBondContact O-N 2.63Å; Q383-Q386 VanDerWaalsContact O-N 3.11Å; Q383-Q387 HydrophobicContact CG-CG 4.43Å; Q383-Q387 WeakPolarHBondContact O-CG 3.49Å; Q383-Q387 PolarHBondContact O-N 2.64Å
384I97.5Very high96.3Very high1 Ų172.3 Ų72.31%0.00537%0.368CS..Hα-helixtrans-57.1-44.1175.3-69.1-64.2000111.3Y376 T379 P380 W381 Q386 Q387 H388 L396Y376-I384 HydrophobicContact CD2-CD1 4.16Å; Y376-I384 HydrophobicContact CE2-CD1 3.75Å; T379-I384 HydrophobicContact CG2-CD1 3.68Å; T379-I384 HydrophobicContact CG2-CG1 3.84Å; P380-I384 PolarHBondContact O-N 3.22Å; P380-I384 VanDerWaalsContact O-N 3.08Å; W381-I384 HydrophobicContact CE3-CB 4.17Å; W381-I384 HydrophobicContact CE3-CG2 4.01Å; W381-I384 HydrophobicContact CZ3-CB 4.44Å; W381-I384 HydrophobicContact CZ3-CG2 3.79Å; W381-I384 PolarHBondContact O-N 2.84Å; I384-Q386 VanDerWaalsContact C-N 3.34Å; I384-Q386 PolarHBondContact O-N 3.33Å; I384-Q387 PolarHBondContact O-N 3.19Å; I384-H388 PolarHBondContact O-CD2 3.23Å; I384-H388 PolarHBondContact O-N 3.04Å; I384-H388 VanDerWaalsContact O-N 3.13Å; I384-L396 HydrophobicContact CG2-CD1 3.69Å; I384-L396 HydrophobicContact CG2-CD2 3.81Å; I384-L396 HydrophobicContact CG2-CG 3.59Å
385K97.1Very high95.9Very high76 Ų7676.1 Ų76.133%0.3338%0.378SS..Hα-helixtrans-64-37176.2-70.9-159-64.6171.60113.6W381 Q383 H388 E393 L396W381-K385 HydrophobicContact CD2-CD 4.45Å; W381-K385 HydrophobicContact CD2-CG 4.08Å; W381-K385 HydrophobicContact CE3-CG 4.44Å; W381-K385 HydrophobicContact CH2-CG 4.12Å; W381-K385 HydrophobicContact CZ2-CD 3.72Å; W381-K385 HydrophobicContact CZ2-CG 3.73Å; W381-K385 HydrophobicContact CZ3-CG 4.46Å; W381-K385 WeakPolarHBondContact O-CG 3.36Å; W381-K385 PolarHBondContact O-N 3.11Å; Q383-K385 VanDerWaalsContact C-N 3.3Å; Q383-K385 PolarHBondContact O-N 3.23Å; K385-H388 CarbonylContact O-C 3.51Å; K385-E393 HydrophobicContact CD-CG 4.25Å; K385-E393 WeakPolarHBondContact CD-OE1 3.33Å; K385-E393 IonicContact NZ-OE1 3.45Å; K385-E393 PolarHBondContact NZ-OE1 2.85Å; K385-L396 HydrophobicContact CG-CD2 4.31Å
386Q96.8Very high95.8Very high150 Ų15070.8 Ų70.870%0.70135%0.35SS*.Hα-helixtrans-70.5-33.6177-73.9171.72.300112.3N382 Q383 I384N382-Q386 VanDerWaalsContact O-CG 3.29Å; N382-Q386 WeakPolarHBondContact O-CG 3.11Å; N382-Q386 PolarHBondContact O-N 3.07Å; N382-Q386 VanDerWaalsContact O-N 3.12Å; Q383-Q386 PolarHBondContact O-N 2.63Å; Q383-Q386 VanDerWaalsContact O-N 3.11Å; I384-Q386 VanDerWaalsContact C-N 3.34Å; I384-Q386 PolarHBondContact O-N 3.33Å
387Q96.4Very high95.7Very high97 Ų9769.5 Ų69.545%0.45335%0.346SS..Hα-helixtrans-75.1-25178.9-72.5172.1-1700113Q383 I384Q383-Q387 HydrophobicContact CG-CG 4.43Å; Q383-Q387 WeakPolarHBondContact O-CG 3.49Å; Q383-Q387 PolarHBondContact O-N 2.64Å; I384-Q387 PolarHBondContact O-N 3.19Å
388H95.8Very high95.6Very high45 Ų4570.6 Ų70.621%0.20835%0.351CS..  trans-133.657.7-175-58-68.5000113.1F356 I384 K385 E390 V391 L396F356-H388 AromaticContact CE2-ND1 3.84Å; F356-H388 AromaticContact CZ-CD2 3.83Å; F356-H388 AromaticContact CZ-CE1 3.94Å; F356-H388 AromaticContact CZ-CG 3.93Å; F356-H388 AromaticContact CZ-NE2 3.83Å; I384-H388 PolarHBondContact O-CD2 3.23Å; I384-H388 PolarHBondContact O-N 3.04Å; I384-H388 VanDerWaalsContact O-N 3.13Å; K385-H388 CarbonylContact O-C 3.51Å; H388-E390 PolarHBondContact O-N 3.08Å; H388-V391 HydrophobicContact CB-CB 4.3Å; H388-V391 HydrophobicContact CB-CG2 4.04Å; H388-V391 PolarHBondContact O-N 2.79Å; H388-L396 HydrophobicContact CB-CD1 3.82Å; H388-L396 HydrophobicContact CB-CD2 4.05Å
389P95.3Very high95.6Very high106 Ų10670.7 Ų70.769%0.68834%0.34SS*.THydrogen-bonded Turntrans-63.9-23.2-175.427.8-36.6000114.1
390E94.6Very high95.6Very high138 Ų13869.3 Ų69.365%0.64533%0.332SS*.THydrogen-bonded Turntrans-81-17.1-179.973.1-70.5167.600113.8H388H388-E390 PolarHBondContact O-N 3.08Å
391V93.6Very high95.6Very high30 Ų3066.8 Ų66.818%0.18232%0.316CS..SBendtrans-88.6127.5-177.1-175.60000109.8F356 H388 E393 L396 Y399F356-V391 HydrophobicContact CE2-CG2 4.09Å; H388-V391 HydrophobicContact CB-CB 4.3Å; H388-V391 HydrophobicContact CB-CG2 4.04Å; H388-V391 PolarHBondContact O-N 2.79Å; V391-E393 PolarHBondContact O-N 2.96Å; V391-L396 HydrophobicContact CB-CB 4.48Å; V391-L396 HydrophobicContact CB-CD1 4.46Å; V391-L396 HydrophobicContact CG1-CB 3.99Å; V391-L396 HydrophobicContact CG1-CD1 4.37Å; V391-Y399 HydrophobicContact CG1-CE2 4.23Å
392K92.3Very high95.6Very high156 Ų15665.9 Ų65.968%0.67831%0.313SS*.  trans-58128.4176.3-61.2179.4178.6178.90109.9K394 Y395 L396K392-K394 PolarHBondContact O-N 2.66Å; K392-Y395 HydrophobicContact CB-CD2 3.98Å; K392-Y395 HydrophobicContact CB-CE2 4.45Å; K392-Y395 HydrophobicContact CD-CE2 4.2Å; K392-Y395 PolarHBondContact O-N 2.69Å; K392-L396 PolarHBondContact O-N 3.15Å
393E92.8Very high95.7Very high108 Ų10861.1 Ų61.151%0.50529%0.287SS..Hα-helixtrans-51.3-35.1-173.7-67.7-164.416800113.6W381 K385 V391 Y395 L396 A397W381-E393 HydrophobicContact CZ2-CB 4.41Å; K385-E393 HydrophobicContact CD-CG 4.25Å; K385-E393 WeakPolarHBondContact CD-OE1 3.33Å; K385-E393 IonicContact NZ-OE1 3.45Å; K385-E393 PolarHBondContact NZ-OE1 2.85Å; V391-E393 PolarHBondContact O-N 2.96Å; E393-Y395 PolarHBondContact O-N 3.03Å; E393-L396 PolarHBondContact O-N 3.01Å; E393-A397 WeakPolarHBondContact O-CB 3Å; E393-A397 PolarHBondContact O-N 2.88Å
394K87.5Confident95.7Very high125 Ų12557.2 Ų57.254%0.54327%0.269SS..Hα-helixtrans-52.9-50.8175.5-177.4-169.1172-170.60112K392 E398K392-K394 PolarHBondContact O-N 2.66Å; K394-E398 VanDerWaalsContact O-CG 3.31Å; K394-E398 WeakPolarHBondContact O-CG 3.48Å
395Y89.9Confident95.8Very high103 Ų10357.2 Ų57.240%0.40427%0.269SS..Hα-helixtrans-73.5-40-179.1-61.4-64.8000110.7K392 E393 A397 E398 Y399K392-Y395 HydrophobicContact CB-CD2 3.98Å; K392-Y395 HydrophobicContact CB-CE2 4.45Å; K392-Y395 HydrophobicContact CD-CE2 4.2Å; K392-Y395 PolarHBondContact O-N 2.69Å; E393-Y395 PolarHBondContact O-N 3.03Å; Y395-A397 VanDerWaalsContact C-N 3.31Å; Y395-A397 PolarHBondContact O-N 2.72Å; Y395-E398 PolarHBondContact O-N 2.69Å; Y395-Y399 VanDerWaalsContact O-CD2 3.31Å; Y395-Y399 WeakPolarHBondContact O-CD2 3.28Å; Y395-Y399 PolarHBondContact O-N 3.16Å
396L96.1Very high95.9Very high2 Ų253.6 Ų53.61%0.0125%0.253CS..Hα-helixtrans-59.1-41.8-178.2-170.559.7000112.3F356 Y376 W381 I384 K385 H388 V391 K392 E393 E398 Y399F356-L396 HydrophobicContact CE1-CD1 4.29Å; F356-L396 HydrophobicContact CE2-CD1 4.21Å; F356-L396 HydrophobicContact CZ-CD1 3.51Å; Y376-L396 PolarHBondContact OH-O 3Å; W381-L396 HydrophobicContact CH2-CB 4.04Å; W381-L396 HydrophobicContact CH2-CD2 4.14Å; W381-L396 HydrophobicContact CH2-CG 3.98Å; W381-L396 HydrophobicContact CZ3-CB 4.41Å; W381-L396 HydrophobicContact CZ3-CD2 4.31Å; W381-L396 HydrophobicContact CZ3-CG 3.96Å; I384-L396 HydrophobicContact CG2-CD1 3.69Å; I384-L396 HydrophobicContact CG2-CD2 3.81Å; I384-L396 HydrophobicContact CG2-CG 3.59Å; K385-L396 HydrophobicContact CG-CD2 4.31Å; H388-L396 HydrophobicContact CB-CD1 3.82Å; H388-L396 HydrophobicContact CB-CD2 4.05Å; V391-L396 HydrophobicContact CB-CB 4.48Å; V391-L396 HydrophobicContact CB-CD1 4.46Å; V391-L396 HydrophobicContact CG1-CB 3.99Å; V391-L396 HydrophobicContact CG1-CD1 4.37Å; K392-L396 PolarHBondContact O-N 3.15Å; E393-L396 PolarHBondContact O-N 3.01Å; L396-E398 PolarHBondContact O-N 2.9Å; L396-Y399 HydrophobicContact CD1-CD2 4.28Å
397A96.4Very high95.9Very high3 Ų346.4 Ų46.43%0.02522%0.22CC..THydrogen-bonded Turntrans-67.2-21.8178.100000113.6F270 Y274 W381 E393 Y395F270-A397 HydrophobicContact CD1-CB 4.37Å; F270-A397 VanDerWaalsContact CD1-O 3.32Å; F270-A397 WeakPolarHBondContact CD1-O 3.47Å; F270-A397 HydrophobicContact CE1-CB 4.26Å; F270-A397 VanDerWaalsContact CE1-O 3.31Å; F270-A397 WeakPolarHBondContact CE1-O 3.24Å; Y274-A397 HydrophobicContact CD2-CB 4.19Å; Y274-A397 HydrophobicContact CE2-CB 3.55Å; W381-A397 HydrophobicContact CH2-CB 3.71Å; W381-A397 HydrophobicContact CZ2-CB 4.31Å; W381-A397 HydrophobicContact CZ3-CB 4.12Å; E393-A397 WeakPolarHBondContact O-CB 3Å; E393-A397 PolarHBondContact O-N 2.88Å; Y395-A397 VanDerWaalsContact C-N 3.31Å; Y395-A397 PolarHBondContact O-N 2.72Å
398E96.8Very high96Very high23 Ų2341.8 Ų41.811%0.10720%0.198CC..THydrogen-bonded Turntrans-94-10.5-173.4-69.2174.8-169.400113.5K246 L250 K394 Y395 L396 C400 F401 S402K246-E398 IonicContact NZ-OE2 3.33Å; K246-E398 PolarHBondContact NZ-OE2 3.23Å; L250-E398 HydrophobicContact CD2-CG 3.81Å; K394-E398 VanDerWaalsContact O-CG 3.31Å; K394-E398 WeakPolarHBondContact O-CG 3.48Å; Y395-E398 PolarHBondContact O-N 2.69Å; L396-E398 PolarHBondContact O-N 2.9Å; E398-C400 PolarHBondContact O-N 3.38Å; E398-F401 PolarHBondContact O-N 3.32Å; E398-S402 VanDerWaalsContact O-CB 3.27Å; E398-S402 WeakPolarHBondContact O-CB 3.34Å; E398-S402 PolarHBondContact O-N 2.85Å; E398-S402 PolarHBondContact O-OG 3.47Å
399Y98.4Very high96.2Very high36 Ų3639.7 Ų39.714%0.14119%0.188CC..Hα-helixtrans-68.2-34.6-173.6-76-61000114.1V353 F356 V391 Y395 L396 S402 G403V353-Y399 HydrophobicContact CB-CD1 4.47Å; V353-Y399 HydrophobicContact CG1-CD1 4.21Å; V353-Y399 HydrophobicContact CG2-CD1 4.3Å; V353-Y399 HydrophobicContact CG2-CE1 4.29Å; F356-Y399 HydrophobicContact CB-CD1 4.21Å; F356-Y399 HydrophobicContact CB-CE1 3.69Å; F356-Y399 HydrophobicContact CB-CE2 4.34Å; F356-Y399 AromaticContact CD1-CD1 3.62Å; F356-Y399 HydrophobicContact CD1-CD1 3.62Å; F356-Y399 AromaticContact CD1-CD2 3.27Å; F356-Y399 HydrophobicContact CD1-CD2 3.27Å; F356-Y399 AromaticContact CD1-CE1 3.81Å; F356-Y399 HydrophobicContact CD1-CE1 3.81Å; F356-Y399 AromaticContact CD1-CE2 3.49Å; F356-Y399 HydrophobicContact CD1-CE2 3.49Å; F356-Y399 VanDerWaalsContact CD1-CE2 3.49Å; F356-Y399 AromaticContact CD1-CG 3.35Å; F356-Y399 HydrophobicContact CD1-CG 3.35Å; F356-Y399 AromaticContact CD1-CZ 3.75Å; F356-Y399 HydrophobicContact CD2-CD2 4.25Å; F356-Y399 AromaticContact CD2-CE2 3.66Å; F356-Y399 HydrophobicContact CD2-CE2 3.66Å; F356-Y399 AromaticContact CD2-CZ 3.81Å; F356-Y399 HydrophobicContact CE1-CD1 4.33Å; F356-Y399 AromaticContact CE1-CD2 3.18Å; F356-Y399 HydrophobicContact CE1-CD2 3.18Å; F356-Y399 AromaticContact CE1-CE2 3.62Å; F356-Y399 HydrophobicContact CE1-CE2 3.62Å; F356-Y399 AromaticContact CE1-CG 3.61Å; F356-Y399 HydrophobicContact CE1-CG 3.61Å; F356-Y399 HydrophobicContact CE2-CD2 4.18Å; F356-Y399 AromaticContact CE2-CE2 3.78Å; F356-Y399 HydrophobicContact CE2-CE2 3.78Å; F356-Y399 HydrophobicContact CG-CD1 4.05Å; F356-Y399 AromaticContact CG-CD2 3.84Å; F356-Y399 HydrophobicContact CG-CD2 3.84Å; F356-Y399 AromaticContact CG-CE1 3.73Å; F356-Y399 HydrophobicContact CG-CE1 3.73Å; F356-Y399 AromaticContact CG-CE2 3.52Å; F356-Y399 HydrophobicContact CG-CE2 3.52Å; F356-Y399 HydrophobicContact CG-CG 4.11Å; F356-Y399 AromaticContact CG-CZ 3.45Å; F356-Y399 VanDerWaalsContact CG-CZ 3.45Å; F356-Y399 AromaticContact CZ-CD2 3.67Å; F356-Y399 HydrophobicContact CZ-CD2 3.67Å; F356-Y399 AromaticContact CZ-CE2 3.77Å; F356-Y399 HydrophobicContact CZ-CE2 3.77Å; V391-Y399 HydrophobicContact CG1-CE2 4.23Å; Y395-Y399 VanDerWaalsContact O-CD2 3.31Å; Y395-Y399 WeakPolarHBondContact O-CD2 3.28Å; Y395-Y399 PolarHBondContact O-N 3.16Å; L396-Y399 HydrophobicContact CD1-CD2 4.28Å; Y399-S402 PolarHBondContact O-N 3.5Å; Y399-G403 PolarHBondContact O-N 3.48Å
400C98.4Very high96.3Very high0 Ų034.6 Ų34.60%016%0.155CC..Hα-helixtrans-62.1-50.7175.1168.20000110.4C269 Y376 C377 E398 T404C269-C400 WeakPolarHBondContact O-CB 3.5Å; C269-C400 PolarHBondContact O-SG 3.46Å; Y376-C400 HydrophobicContact CD1-CB 4.16Å; Y376-C400 HydrophobicContact CE1-CB 4.07Å; C377-C400 VanDerWaalsContact CA-SG 3.6Å; C377-C400 HydrophobicContact CB-CB 4.08Å; C377-C400 WeakPolarHBondContact CB-SG 3.48Å; C377-C400 VanDerWaalsContact SG-CA 3.57Å; C377-C400 WeakPolarHBondContact SG-CB 3.3Å; C377-C400 CovalentContact SG-SG 2.03Å; C377-C400 PolarHBondContact SG-SG 2.76Å; E398-C400 PolarHBondContact O-N 3.38Å; C400-T404 WeakPolarHBondContact O-CB 3.33Å; C400-T404 PolarHBondContact O-N 3.16Å; C400-T404 VanDerWaalsContact O-N 3.07Å; C400-T404 PolarHBondContact O-OG1 3.09Å
401F98.7Very high96.4Very high0 Ų028.9 Ų28.90%013%0.13CC..Hα-helixtrans-58.4-50.8173.7178.1-92.6000111.9V249 L250 A253 C269 V316 E398 G403 T404 Y405V249-F401 HydrophobicContact CB-CZ 4.4Å; V249-F401 HydrophobicContact CG1-CE1 4.19Å; V249-F401 HydrophobicContact CG1-CZ 3.7Å; L250-F401 HydrophobicContact CB-CD1 3.79Å; L250-F401 HydrophobicContact CB-CE1 3.48Å; L250-F401 VanDerWaalsContact CB-CE1 3.48Å; L250-F401 HydrophobicContact CB-CZ 3.98Å; L250-F401 HydrophobicContact CD1-CB 4.33Å; L250-F401 HydrophobicContact CD1-CD1 3.82Å; L250-F401 HydrophobicContact CD1-CD2 3.84Å; L250-F401 HydrophobicContact CD1-CE1 4.11Å; L250-F401 HydrophobicContact CD1-CE2 4.12Å; L250-F401 HydrophobicContact CD1-CG 3.7Å; L250-F401 HydrophobicContact CD1-CZ 4.26Å; L250-F401 HydrophobicContact CG-CD1 4.27Å; L250-F401 HydrophobicContact CG-CE1 4.35Å; A253-F401 HydrophobicContact CB-CE2 3.62Å; A253-F401 HydrophobicContact CB-CZ 4.04Å; C269-F401 HydrophobicContact CB-CB 3.99Å; C269-F401 HydrophobicContact CB-CD2 3.73Å; C269-F401 HydrophobicContact CB-CG 4.37Å; C269-F401 PolarHBondContact O-N 3.47Å; V316-F401 HydrophobicContact CG2-CE2 3.95Å; V316-F401 HydrophobicContact CG2-CZ 4.45Å; E398-F401 PolarHBondContact O-N 3.32Å; F401-G403 PolarHBondContact O-N 2.7Å; F401-T404 PolarHBondContact O-N 2.74Å; F401-Y405 VanDerWaalsContact O-CB 3.32Å; F401-Y405 WeakPolarHBondContact O-CB 3.43Å; F401-Y405 PolarHBondContact O-N 3.5Å
402S98.6Very high96.5Very high3 Ų330.8 Ų30.82%0.02114%0.137CC..Hα-helixtrans-65.3-41.5-173.2-58.10000112.2E398 Y399 Y405 I406E398-S402 VanDerWaalsContact O-CB 3.27Å; E398-S402 WeakPolarHBondContact O-CB 3.34Å; E398-S402 PolarHBondContact O-N 2.85Å; E398-S402 PolarHBondContact O-OG 3.47Å; Y399-S402 PolarHBondContact O-N 3.5Å; S402-Y405 PolarHBondContact O-N 3.1Å; S402-I406 WeakPolarHBondContact O-CB 3.47Å; S402-I406 WeakPolarHBondContact O-CG1 3.42Å; S402-I406 PolarHBondContact O-N 3.03Å
403G98.5Very high96.8Very high0 Ų023.4 Ų23.40%011%0.105CC..Hα-helixtrans-65.5-43.5175.200000111.9Y399 F401 Y405 I406 V407Y399-G403 PolarHBondContact O-N 3.48Å; F401-G403 PolarHBondContact O-N 2.7Å; G403-Y405 VanDerWaalsContact C-N 3.32Å; G403-Y405 PolarHBondContact O-N 3.38Å; G403-I406 PolarHBondContact O-N 3.4Å; G403-V407 PolarHBondContact O-N 3.36Å
404T98.8Very high97Very high0 Ų018.3 Ų18.30%08%0.081CC..Hα-helixtrans-61.7-41.9174.7-54.30000111.6F309 C312 Q313 V316 C400 F401 T408F309-T404 HydrophobicContact CD2-CG2 4.01Å; F309-T404 WeakPolarHBondContact CD2-OG1 3.37Å; F309-T404 HydrophobicContact CE2-CG2 3.83Å; C312-T404 HydrophobicContact CB-CG2 4.12Å; Q313-T404 HydrophobicContact CB-CG2 3.91Å; V316-T404 HydrophobicContact CG2-CG2 4.44Å; C400-T404 WeakPolarHBondContact O-CB 3.33Å; C400-T404 PolarHBondContact O-N 3.16Å; C400-T404 VanDerWaalsContact O-N 3.07Å; C400-T404 PolarHBondContact O-OG1 3.09Å; F401-T404 PolarHBondContact O-N 2.74Å; T404-T408 VanDerWaalsContact O-CB 3.32Å; T404-T408 WeakPolarHBondContact O-CB 3.3Å; T404-T408 PolarHBondContact O-N 2.82Å; T404-T408 PolarHBondContact O-OG1 3.18Å
405Y98.8Very high97.4Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-62.6-48.9176.7173.8-117.3000112L201 Y244 V249 V316 F320 F401 S402 G403 V407 T408 L409L201-Y405 HydrophobicContact CD1-CE1 3.95Å; L201-Y405 HydrophobicContact CD2-CE1 4.47Å; Y244-Y405 PolarHBondContact O-OH 2.84Å; V249-Y405 HydrophobicContact CB-CD2 4.34Å; V249-Y405 HydrophobicContact CB-CE1 4.33Å; V249-Y405 HydrophobicContact CB-CE2 4.07Å; V249-Y405 HydrophobicContact CG1-CD1 4.42Å; V249-Y405 HydrophobicContact CG1-CD2 3.42Å; V249-Y405 VanDerWaalsContact CG1-CD2 3.42Å; V249-Y405 HydrophobicContact CG1-CE1 4.4Å; V249-Y405 HydrophobicContact CG1-CE2 3.4Å; V249-Y405 VanDerWaalsContact CG1-CE2 3.4Å; V249-Y405 HydrophobicContact CG1-CG 3.97Å; V249-Y405 HydrophobicContact CG2-CE1 4.17Å; V249-Y405 HydrophobicContact CG2-CE2 3.87Å; V316-Y405 HydrophobicContact CG1-CD2 3.77Å; F320-Y405 HydrophobicContact CE1-CE2 4.39Å; F320-Y405 HydrophobicContact CZ-CD2 4.44Å; F320-Y405 AromaticContact CZ-CE2 3.81Å; F320-Y405 HydrophobicContact CZ-CE2 3.81Å; F401-Y405 VanDerWaalsContact O-CB 3.32Å; F401-Y405 WeakPolarHBondContact O-CB 3.43Å; F401-Y405 PolarHBondContact O-N 3.5Å; S402-Y405 PolarHBondContact O-N 3.1Å; G403-Y405 VanDerWaalsContact C-N 3.32Å; G403-Y405 PolarHBondContact O-N 3.38Å; Y405-V407 PolarHBondContact O-N 2.96Å; Y405-T408 PolarHBondContact O-N 3.33Å; Y405-L409 HydrophobicContact CE1-CD2 4.19Å; Y405-L409 HydrophobicContact CE2-CB 4.22Å; Y405-L409 VanDerWaalsContact O-CB 3.28Å; Y405-L409 WeakPolarHBondContact O-CB 3.05Å; Y405-L409 PolarHBondContact O-N 3.09Å
406I98.8Very high97.7Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-57.4-51.6178.2-77165.5000110.9L201 Y350 V353 M354 S402 G403 T408 L409 L410L201-I406 HydrophobicContact CD2-CD1 3.91Å; L201-I406 HydrophobicContact CD2-CG1 3.57Å; Y350-I406 HydrophobicContact CD1-CB 4.33Å; Y350-I406 HydrophobicContact CD1-CD1 4.18Å; Y350-I406 HydrophobicContact CD1-CG1 3.85Å; Y350-I406 HydrophobicContact CD1-CG2 3.66Å; Y350-I406 HydrophobicContact CE1-CB 4.38Å; Y350-I406 HydrophobicContact CE1-CG1 4.05Å; Y350-I406 HydrophobicContact CE1-CG2 3.88Å; V353-I406 HydrophobicContact CB-CD1 3.58Å; V353-I406 HydrophobicContact CG1-CD1 3.63Å; V353-I406 HydrophobicContact CG2-CD1 4.12Å; M354-I406 HydrophobicContact CG-CD1 4.38Å; M354-I406 HydrophobicContact CG-CG2 4.2Å; M354-I406 HydrophobicContact SD-CB 4.48Å; M354-I406 HydrophobicContact SD-CD1 4.49Å; M354-I406 HydrophobicContact SD-CG2 3.86Å; S402-I406 WeakPolarHBondContact O-CB 3.47Å; S402-I406 WeakPolarHBondContact O-CG1 3.42Å; S402-I406 PolarHBondContact O-N 3.03Å; G403-I406 PolarHBondContact O-N 3.4Å; I406-T408 VanDerWaalsContact C-N 3.31Å; I406-T408 PolarHBondContact O-N 3.21Å; I406-L409 PolarHBondContact O-N 3.48Å; I406-L410 HydrophobicContact CG2-CD1 3.83Å; I406-L410 HydrophobicContact CG2-CG 4.49Å; I406-L410 WeakPolarHBondContact O-CB 3.44Å; I406-L410 VanDerWaalsContact O-CG 3.25Å; I406-L410 WeakPolarHBondContact O-CG 3.32Å; I406-L410 PolarHBondContact O-N 3.2Å
407V98.1Very high97.5Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-60.6-45-179.4170.70000110.5L366 V369 K370 L373 G403 Y405 L410 T411L366-V407 HydrophobicContact CD1-CG1 4.22Å; V369-V407 HydrophobicContact CG1-CG2 4.02Å; K370-V407 HydrophobicContact CG-CG1 4.38Å; L373-V407 HydrophobicContact CD1-CB 4.31Å; L373-V407 HydrophobicContact CD1-CG2 3.57Å; G403-V407 PolarHBondContact O-N 3.36Å; Y405-V407 PolarHBondContact O-N 2.96Å; V407-L410 PolarHBondContact O-N 3.28Å; V407-T411 HydrophobicContact CG1-CG2 4.37Å; V407-T411 WeakPolarHBondContact O-CG2 3.41Å; V407-T411 PolarHBondContact O-N 2.84Å; V407-T411 PolarHBondContact O-OG1 2.92Å
408T98.5Very high97.2Very high0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-66.8-41.6-179.4-51.90000112.1Q313 V316 K317 F320 T404 Y405 I406 E412 G413Q313-T408 HydrophobicContact CG-CG2 4.36Å; Q313-T408 PolarHBondContact NE2-OG1 3.12Å; V316-T408 HydrophobicContact CB-CG2 4.43Å; V316-T408 HydrophobicContact CG1-CG2 3.83Å; K317-T408 HydrophobicContact CD-CG2 4.47Å; K317-T408 HydrophobicContact CG-CG2 3.59Å; F320-T408 HydrophobicContact CE2-CG2 3.95Å; T404-T408 VanDerWaalsContact O-CB 3.32Å; T404-T408 WeakPolarHBondContact O-CB 3.3Å; T404-T408 PolarHBondContact O-N 2.82Å; T404-T408 PolarHBondContact O-OG1 3.18Å; Y405-T408 PolarHBondContact O-N 3.33Å; I406-T408 VanDerWaalsContact C-N 3.31Å; I406-T408 PolarHBondContact O-N 3.21Å; T408-E412 HydrophobicContact CG2-CB 4.26Å; T408-E412 HydrophobicContact CG2-CG 3.94Å; T408-E412 WeakPolarHBondContact O-CA 3.5Å; T408-E412 VanDerWaalsContact O-CB 3.25Å; T408-E412 WeakPolarHBondContact O-CB 3.15Å; T408-E412 PolarHBondContact O-N 3.25Å; T408-G413 PolarHBondContact O-N 2.66Å
409L98.8Very high96.8Very high0 Ų026.6 Ų26.60%013%0.13CC..Iπ-helixtrans-60.8-45.9175.9175.163.1000111.1T206 F320 F332 Y350 Y405 I406 G413 Y414T206-L409 HydrophobicContact CG2-CD2 3.95Å; F320-L409 HydrophobicContact CE1-CD1 3.94Å; F320-L409 HydrophobicContact CZ-CB 4.26Å; F320-L409 HydrophobicContact CZ-CD1 4.05Å; F332-L409 HydrophobicContact CE1-CD1 3.63Å; F332-L409 HydrophobicContact CZ-CD1 4.01Å; Y350-L409 WeakPolarHBondContact OH-CD2 3.33Å; Y405-L409 HydrophobicContact CE1-CD2 4.19Å; Y405-L409 HydrophobicContact CE2-CB 4.22Å; Y405-L409 VanDerWaalsContact O-CB 3.28Å; Y405-L409 WeakPolarHBondContact O-CB 3.05Å; Y405-L409 PolarHBondContact O-N 3.09Å; I406-L409 PolarHBondContact O-N 3.48Å; L409-G413 CarbonylContact O-C 3.51Å; L409-G413 WeakPolarHBondContact O-CA 3.33Å; L409-G413 PolarHBondContact O-N 3.02Å; L409-Y414 HydrophobicContact CD1-CD1 4.45Å; L409-Y414 HydrophobicContact CD1-CE1 3.98Å; L409-Y414 HydrophobicContact CD1-CE2 4.2Å; L409-Y414 HydrophobicContact CD2-CE2 4.1Å; L409-Y414 HydrophobicContact CG-CD2 4.32Å; L409-Y414 HydrophobicContact CG-CE2 3.9Å; L409-Y414 PolarHBondContact O-N 3.1Å
410L98.3Very high96.5Very high0 Ų026.3 Ų26.30%013%0.132CC..Iπ-helixtrans-64.8-48.8179.4-67.5172.6000111.2L199 Y350 I406 V407 Y414 N415 F416 F421 I424 F426L199-L410 HydrophobicContact CD1-CD2 3.75Å; Y350-L410 HydrophobicContact CE1-CD1 4.34Å; Y350-L410 HydrophobicContact CE1-CD2 4.01Å; Y350-L410 HydrophobicContact CE1-CG 4.15Å; I406-L410 HydrophobicContact CG2-CD1 3.83Å; I406-L410 HydrophobicContact CG2-CG 4.49Å; I406-L410 WeakPolarHBondContact O-CB 3.44Å; I406-L410 VanDerWaalsContact O-CG 3.25Å; I406-L410 WeakPolarHBondContact O-CG 3.32Å; I406-L410 PolarHBondContact O-N 3.2Å; V407-L410 PolarHBondContact O-N 3.28Å; L410-Y414 HydrophobicContact CD2-CD2 4.15Å; L410-N415 PolarHBondContact O-N 2.98Å; L410-F416 HydrophobicContact CB-CD2 4.33Å; L410-F416 HydrophobicContact CD2-CD2 4.12Å; L410-F416 HydrophobicContact CD2-CE2 4.19Å; L410-F416 WeakPolarHBondContact O-CB 3.27Å; L410-F416 WeakPolarHBondContact O-CD2 3.22Å; L410-F416 PolarHBondContact O-N 3.11Å; L410-F421 HydrophobicContact CD1-CE2 3.94Å; L410-I424 HydrophobicContact CD1-CD1 3.96Å; L410-I424 HydrophobicContact CD2-CD1 4.01Å; L410-I424 HydrophobicContact CG-CD1 4.42Å; L410-F426 HydrophobicContact CD1-CZ 4.39Å
411T96.8Very high96.3Very high17 Ų1726.5 Ų26.510%0.10413%0.133CC..Iπ-helixtrans-83.1-38.1-171.162.20000113.7L366 V407 N415 F416 F421L366-T411 HydrophobicContact CD1-CG2 3.98Å; L366-T411 HydrophobicContact CD2-CG2 3.68Å; L366-T411 HydrophobicContact CG-CG2 4.46Å; V407-T411 HydrophobicContact CG1-CG2 4.37Å; V407-T411 WeakPolarHBondContact O-CG2 3.41Å; V407-T411 PolarHBondContact O-N 2.84Å; V407-T411 PolarHBondContact O-OG1 2.92Å; T411-N415 WeakPolarHBondContact O-CA 3.49Å; T411-F416 WeakPolarHBondContact CA-O 3.38Å; T411-F421 HydrophobicContact CG2-CD2 4.48Å
412E96Very high96Very high71 Ų7129.7 Ų29.733%0.33216%0.155SC..Iπ-helixtrans-101.2-39.4-176.2-54.6-81.7179.100111.4K317 F322 T408K317-E412 HydrophobicContact CD-CG 4.4Å; K317-E412 WeakPolarHBondContact CE-OE1 3.41Å; K317-E412 IonicContact NZ-OE1 2.64Å; K317-E412 PolarHBondContact NZ-OE1 3.38Å; K317-E412 IonicContact NZ-OE2 2.76Å; K317-E412 PolarHBondContact NZ-OE2 3.23Å; F322-E412 VanDerWaalsContact CE1-O 3.29Å; F322-E412 WeakPolarHBondContact CE1-O 3.26Å; F322-E412 HydrophobicContact CZ-CB 4.2Å; T408-E412 HydrophobicContact CG2-CB 4.26Å; T408-E412 HydrophobicContact CG2-CG 3.94Å; T408-E412 WeakPolarHBondContact O-CA 3.5Å; T408-E412 VanDerWaalsContact O-CB 3.25Å; T408-E412 WeakPolarHBondContact O-CB 3.15Å; T408-E412 PolarHBondContact O-N 3.25Å
413G97.3Very high95.8Very high1 Ų134 Ų341%0.0117%0.174CC..Iπ-helixtrans-76.7-53-17800000113S331 T408 L409S331-G413 CarbonylContact C-O 3.5Å; S331-G413 WeakPolarHBondContact CA-O 3.41Å; S331-G413 VanDerWaalsContact CB-O 3.26Å; S331-G413 WeakPolarHBondContact CB-O 3.39Å; T408-G413 PolarHBondContact O-N 2.66Å; L409-G413 CarbonylContact O-C 3.51Å; L409-G413 WeakPolarHBondContact O-CA 3.33Å; L409-G413 PolarHBondContact O-N 3.02Å
414Y97.9Very high95.7Very high0 Ų034 Ų340%017%0.174CC..SBendtrans-94.3-9.8-179.1-60.5-26.3000113.8L199 T206 I208 F241 F332 Q337 L340 L409 L410 F416L199-Y414 HydrophobicContact CD2-CD2 4.16Å; L199-Y414 HydrophobicContact CD2-CE2 4.07Å; T206-Y414 WeakPolarHBondContact CG2-OH 3.47Å; T206-Y414 PolarHBondContact OG1-OH 3.22Å; I208-Y414 HydrophobicContact CB-CE1 4.46Å; I208-Y414 HydrophobicContact CB-CE2 4.39Å; I208-Y414 HydrophobicContact CD1-CD1 4.3Å; I208-Y414 HydrophobicContact CD1-CD2 4.2Å; I208-Y414 HydrophobicContact CD1-CG 4.06Å; I208-Y414 HydrophobicContact CG2-CE1 4.03Å; F241-Y414 HydrophobicContact CD2-CE1 4.09Å; F241-Y414 AromaticContact CE2-CE1 3.58Å; F241-Y414 HydrophobicContact CE2-CE1 3.58Å; F241-Y414 HydrophobicContact CZ-CE1 4.27Å; F332-Y414 HydrophobicContact CE1-CD1 4.36Å; F332-Y414 AromaticContact CE1-CE1 3.93Å; F332-Y414 HydrophobicContact CE1-CE1 3.93Å; Q337-Y414 PolarHBondContact NE2-O 3.02Å; L340-Y414 VanDerWaalsContact CD1-O 3.3Å; L340-Y414 WeakPolarHBondContact CD1-O 3.46Å; L409-Y414 HydrophobicContact CD1-CD1 4.45Å; L409-Y414 HydrophobicContact CD1-CE1 3.98Å; L409-Y414 HydrophobicContact CD1-CE2 4.2Å; L409-Y414 HydrophobicContact CD2-CE2 4.1Å; L409-Y414 HydrophobicContact CG-CD2 4.32Å; L409-Y414 HydrophobicContact CG-CE2 3.9Å; L409-Y414 PolarHBondContact O-N 3.1Å; L410-Y414 HydrophobicContact CD2-CD2 4.15Å; Y414-F416 HydrophobicContact CD2-CE2 4.33Å
415N96Very high95.5Very high112 Ų11239.6 Ų39.660%0.59920%0.198SC*.  trans6737.2177.9-161.139.5000114.1L410 T411 T417L410-N415 PolarHBondContact O-N 2.98Å; T411-N415 WeakPolarHBondContact O-CA 3.49Å; N415-T417 PolarHBondContact O-N 3.48Å
416F95.9Very high95.4Very high4 Ų440.6 Ų40.62%0.01820%0.202CC..  trans-69.4110.6164.3-75.8-88.5000109.6L199 L340 F344 L410 T411 Y414 I424L199-F416 HydrophobicContact CD1-CE2 4.03Å; L199-F416 HydrophobicContact CD1-CZ 4.03Å; L340-F416 HydrophobicContact CD1-CD1 3.75Å; L340-F416 HydrophobicContact CD1-CD2 3.63Å; L340-F416 HydrophobicContact CD1-CE1 3.76Å; L340-F416 HydrophobicContact CD1-CE2 3.63Å; L340-F416 HydrophobicContact CD1-CG 3.69Å; L340-F416 HydrophobicContact CD1-CZ 3.69Å; L340-F416 HydrophobicContact CD2-CE2 4.39Å; L340-F416 HydrophobicContact CD2-CZ 4.33Å; F344-F416 HydrophobicContact CB-CZ 4.26Å; F344-F416 HydrophobicContact CD1-CZ 4.06Å; F344-F416 AromaticContact CD2-CE1 3.7Å; F344-F416 HydrophobicContact CD2-CE1 3.7Å; F344-F416 AromaticContact CD2-CZ 3.66Å; F344-F416 HydrophobicContact CD2-CZ 3.66Å; F344-F416 HydrophobicContact CE1-CZ 4.32Å; F344-F416 HydrophobicContact CE2-CE1 4.09Å; F344-F416 AromaticContact CE2-CZ 3.95Å; F344-F416 HydrophobicContact CE2-CZ 3.95Å; F344-F416 HydrophobicContact CG-CE1 4.13Å; F344-F416 AromaticContact CG-CZ 3.72Å; F344-F416 HydrophobicContact CG-CZ 3.72Å; F344-F416 HydrophobicContact CZ-CZ 4.28Å; L410-F416 HydrophobicContact CB-CD2 4.33Å; L410-F416 HydrophobicContact CD2-CD2 4.12Å; L410-F416 HydrophobicContact CD2-CE2 4.19Å; L410-F416 WeakPolarHBondContact O-CB 3.27Å; L410-F416 WeakPolarHBondContact O-CD2 3.22Å; L410-F416 PolarHBondContact O-N 3.11Å; T411-F416 WeakPolarHBondContact CA-O 3.38Å; Y414-F416 HydrophobicContact CD2-CE2 4.33Å; F416-I424 HydrophobicContact CB-CD1 4.45Å; F416-I424 HydrophobicContact CD1-CD1 3.73Å; F416-I424 HydrophobicContact CD1-CG1 3.9Å; F416-I424 HydrophobicContact CD2-CD1 4.14Å; F416-I424 HydrophobicContact CE1-CD1 3.9Å; F416-I424 HydrophobicContact CE1-CG1 3.7Å; F416-I424 HydrophobicContact CE2-CD1 4.31Å; F416-I424 HydrophobicContact CG-CD1 3.85Å; F416-I424 HydrophobicContact CZ-CD1 4.2Å; F416-I424 HydrophobicContact CZ-CG1 4.17Å
417T93Very high95.1Very high55 Ų5541.7 Ų41.734%0.33721%0.208SC..  trans-74.3172.2175.974.70000111.8N415 E419 T420 F421N415-T417 PolarHBondContact O-N 3.48Å; T417-E419 VanDerWaalsContact CB-OE2 3.25Å; T417-E419 WeakPolarHBondContact CB-OE2 3.33Å; T417-E419 PolarHBondContact O-N 2.93Å; T417-E419 VanDerWaalsContact O-N 3.16Å; T417-E419 PolarHBondContact OG1-N 2.93Å; T417-E419 PolarHBondContact OG1-OE2 3.44Å; T417-T420 PolarHBondContact N-OG1 2.85Å; T417-T420 PolarHBondContact O-N 3.3Å; T417-T420 VanDerWaalsContact O-N 3.11Å; T417-T420 PolarHBondContact O-OG1 3.35Å; T417-T420 PolarHBondContact OG1-N 2.97Å; T417-T420 PolarHBondContact OG1-OG1 2.91Å; T417-T420 VanDerWaalsContact OG1-OG1 3.05Å; T417-F421 WeakPolarHBondContact O-CB 3.43Å; T417-F421 PolarHBondContact O-N 3.22Å
418K88.9Confident94.6Very high132 Ų13246 Ų4657%0.57423%0.227SC*.THydrogen-bonded Turntrans-54-34.6174-177-178.8177.1-176.70112.5
419E88.8Confident94Very high127 Ų12750 Ų5059%0.59325%0.246SC*.THydrogen-bonded Turntrans-81.8-28.2-178.3-56.468.6-144.400112.7T417 S422T417-E419 VanDerWaalsContact CB-OE2 3.25Å; T417-E419 WeakPolarHBondContact CB-OE2 3.33Å; T417-E419 PolarHBondContact O-N 2.93Å; T417-E419 VanDerWaalsContact O-N 3.16Å; T417-E419 PolarHBondContact OG1-N 2.93Å; T417-E419 PolarHBondContact OG1-OE2 3.44Å; E419-S422 PolarHBondContact O-OG 3.42Å
420T92.4Very high93Very high31 Ų3151.3 Ų51.319%0.1925%0.252CS..THydrogen-bonded Turntrans-98.3-18.9-176.950.90000113T417 S422 K423T417-T420 PolarHBondContact N-OG1 2.85Å; T417-T420 PolarHBondContact O-N 3.3Å; T417-T420 VanDerWaalsContact O-N 3.11Å; T417-T420 PolarHBondContact O-OG1 3.35Å; T417-T420 PolarHBondContact OG1-N 2.97Å; T417-T420 PolarHBondContact OG1-OG1 2.91Å; T417-T420 VanDerWaalsContact OG1-OG1 3.05Å; T420-S422 PolarHBondContact O-N 3.32Å; T420-K423 VanDerWaalsContact O-CB 3.28Å; T420-K423 WeakPolarHBondContact O-CB 3.39Å; T420-K423 PolarHBondContact O-N 3.49Å
421F93Very high91.9Very high4 Ų457.8 Ų57.82%0.01828%0.28CS..G310 helixtrans-57.7-36.6175.1-171.6-92.3000112.6L366 V369 L410 T411 T417 K423 I424L366-F421 HydrophobicContact CD1-CD1 4.37Å; L366-F421 HydrophobicContact CD1-CD2 3.99Å; L366-F421 HydrophobicContact CD1-CE1 4.32Å; L366-F421 HydrophobicContact CD1-CE2 3.94Å; L366-F421 HydrophobicContact CD1-CG 4.21Å; L366-F421 HydrophobicContact CD1-CZ 4.1Å; V369-F421 HydrophobicContact CG2-CE1 4.34Å; L410-F421 HydrophobicContact CD1-CE2 3.94Å; T411-F421 HydrophobicContact CG2-CD2 4.48Å; T417-F421 WeakPolarHBondContact O-CB 3.43Å; T417-F421 PolarHBondContact O-N 3.22Å; F421-K423 PolarHBondContact O-N 3.49Å; F421-K423 VanDerWaalsContact O-N 3.16Å; F421-I424 HydrophobicContact CD2-CD1 4.08Å; F421-I424 HydrophobicContact CE2-CD1 4.37Å; F421-I424 WeakPolarHBondContact O-CB 3.4Å; F421-I424 PolarHBondContact O-N 2.87Å; F421-I424 VanDerWaalsContact O-N 3.1Å
422S92.7Very high90.9Very high66 Ų6659.5 Ų59.546%0.46230%0.302SS..G310 helixtrans-66.7-13176.660.60000114.1S362 E419 T420 I424S362-S422 WeakPolarHBondContact O-CA 3.16Å; S362-S422 WeakPolarHBondContact O-CB 3.14Å; S362-S422 PolarHBondContact OG-O 2.8Å; E419-S422 PolarHBondContact O-OG 3.42Å; T420-S422 PolarHBondContact O-N 3.32Å; S422-I424 VanDerWaalsContact C-N 3.28Å
423K94.3Very high90.2Very high95 Ų9556.5 Ų56.541%0.41329%0.288SS..G310 helixtrans-84.1-4175.2-55.2-175.3179.3-179.70112.9G342 S343 F344 T420 F421G342-K423 WeakPolarHBondContact O-CD 3.39Å; S343-K423 WeakPolarHBondContact CA-O 3.49Å; F344-K423 PolarHBondContact N-O 3.48Å; T420-K423 VanDerWaalsContact O-CB 3.28Å; T420-K423 WeakPolarHBondContact O-CB 3.39Å; T420-K423 PolarHBondContact O-N 3.49Å; F421-K423 PolarHBondContact O-N 3.49Å; F421-K423 VanDerWaalsContact O-N 3.16Å
424I96.4Very high89.6Confident0 Ų058 Ų580%030%0.296CS..EExtended strand (participates in β ladder)trans-84.4131.6174.2-56.6170.9000108.7F344 A346 S362 L410 F416 F421 S422 F426F344-I424 HydrophobicContact CB-CG1 4.46Å; F344-I424 CarbonylContact O-C 3.58Å; F344-I424 WeakPolarHBondContact O-CA 3.28Å; A346-I424 HydrophobicContact CB-CG2 3.77Å; S362-I424 WeakPolarHBondContact CB-O 3.25Å; S362-I424 PolarHBondContact OG-O 2.88Å; L410-I424 HydrophobicContact CD1-CD1 3.96Å; L410-I424 HydrophobicContact CD2-CD1 4.01Å; L410-I424 HydrophobicContact CG-CD1 4.42Å; F416-I424 HydrophobicContact CB-CD1 4.45Å; F416-I424 HydrophobicContact CD1-CD1 3.73Å; F416-I424 HydrophobicContact CD1-CG1 3.9Å; F416-I424 HydrophobicContact CD2-CD1 4.14Å; F416-I424 HydrophobicContact CE1-CD1 3.9Å; F416-I424 HydrophobicContact CE1-CG1 3.7Å; F416-I424 HydrophobicContact CE2-CD1 4.31Å; F416-I424 HydrophobicContact CG-CD1 3.85Å; F416-I424 HydrophobicContact CZ-CD1 4.2Å; F416-I424 HydrophobicContact CZ-CG1 4.17Å; F421-I424 HydrophobicContact CD2-CD1 4.08Å; F421-I424 HydrophobicContact CE2-CD1 4.37Å; F421-I424 WeakPolarHBondContact O-CB 3.4Å; F421-I424 PolarHBondContact O-N 2.87Å; F421-I424 VanDerWaalsContact O-N 3.1Å; S422-I424 VanDerWaalsContact C-N 3.28Å; I424-F426 HydrophobicContact CG2-CE1 4.34Å; I424-F426 HydrophobicContact CG2-CE2 4.15Å; I424-F426 HydrophobicContact CG2-CZ 4.05Å
425K95.6Very high89.1Confident116 Ų11658.5 Ų58.550%0.50430%0.3SS..EExtended strand (participates in β ladder)trans-113.5123.3171-64.1-178.3-179.5178.80107.9F344 G345 A346 I427F344-K425 PolarHBondContact O-N 3.45Å; G345-K425 CarbonylContact C-O 3.54Å; G345-K425 WeakPolarHBondContact CA-O 3.41Å; A346-K425 PolarHBondContact N-O 3.47Å; K425-I427 HydrophobicContact CB-CG1 4.29Å
426F95.9Very high88.8Confident21 Ų2153.7 Ų53.79%0.09228%0.277CS..EExtended strand (participates in β ladder)trans-84119.3174.7-65.5-82.9000109.5A346 Y350 Y351 M354 T360 L410 I424A346-F426 HydrophobicContact CB-CD1 3.85Å; A346-F426 HydrophobicContact CB-CE1 4Å; A346-F426 CarbonylContact O-C 3.6Å; A346-F426 VanDerWaalsContact O-CA 3.32Å; A346-F426 WeakPolarHBondContact O-CA 3.32Å; Y350-F426 HydrophobicContact CD1-CE1 4.41Å; Y351-F426 HydrophobicContact CD2-CB 4.25Å; M354-F426 HydrophobicContact CB-CD1 4.09Å; M354-F426 HydrophobicContact CB-CE1 4.19Å; M354-F426 HydrophobicContact CB-CG 4.36Å; M354-F426 HydrophobicContact CE-CE2 4.37Å; M354-F426 HydrophobicContact CE-CZ 3.97Å; M354-F426 HydrophobicContact CG-CD1 3.93Å; M354-F426 HydrophobicContact CG-CE1 3.56Å; M354-F426 HydrophobicContact CG-CZ 3.91Å; T360-F426 HydrophobicContact CG2-CB 3.87Å; T360-F426 HydrophobicContact CG2-CG 4.41Å; T360-F426 WeakPolarHBondContact O-CD2 3.44Å; L410-F426 HydrophobicContact CD1-CZ 4.39Å; I424-F426 HydrophobicContact CG2-CE1 4.34Å; I424-F426 HydrophobicContact CG2-CE2 4.15Å; I424-F426 HydrophobicContact CG2-CZ 4.05Å
427I92.4Very high88.7Confident23 Ų2353.7 Ų53.712%0.11828%0.277CS..  trans-119.2124.4-166.5-57.3176.1000110A346 F347 Y351 K425 I430 A435A346-I427 PolarHBondContact O-N 3.49Å; F347-I427 WeakPolarHBondContact CA-O 3.23Å; F347-I427 WeakPolarHBondContact CB-O 3.25Å; Y351-I427 WeakPolarHBondContact CB-O 3.38Å; K425-I427 HydrophobicContact CB-CG1 4.29Å; I427-I430 HydrophobicContact CD1-CD1 4.04Å; I427-I430 HydrophobicContact CD1-CG1 4.5Å; I427-I430 HydrophobicContact CG2-CD1 3.9Å; I427-I430 HydrophobicContact CG2-CG1 3.38Å; I427-A435 HydrophobicContact CG2-CB 3.9Å
428K88Confident88.8Confident92 Ų9251.2 Ų51.240%0.426%0.262SS..SBendtrans-86.4-60.2166.9-165.1-173.8176.4-124.70110.8Y351 A435Y351-K428 HydrophobicContact CD1-CB 3.68Å; Y351-K428 HydrophobicContact CD1-CD 4.5Å; Y351-K428 HydrophobicContact CD1-CG 3.78Å; Y351-K428 HydrophobicContact CD2-CB 4.06Å; Y351-K428 HydrophobicContact CE1-CB 3.4Å; Y351-K428 HydrophobicContact CE1-CD 3.63Å; Y351-K428 HydrophobicContact CE1-CG 3.39Å; Y351-K428 HydrophobicContact CE2-CB 3.79Å; Y351-K428 HydrophobicContact CG-CB 4.02Å; Y351-K428 VanDerWaalsContact CZ-CB 3.45Å; K428-A435 PolarHBondContact O-N 3Å
429E85.6Confident88.9Confident84 Ų8444.9 Ų44.939%0.39323%0.234SC..EExtended strand (participates in β ladder)trans-139.1148.9-173.7-72.5162.1-142.700107.7S433E429-S433 CarbonylContact C-O 3.59Å; E429-S433 WeakPolarHBondContact CA-O 3.35Å; E429-S433 WeakPolarHBondContact CB-O 3.28Å
430I77Confident89Confident27 Ų2738.9 Ų38.914%0.13821%0.206CC..EExtended strand (participates in β ladder)trans-123.8122.1170.3-49.6172.5000106.4L185 I427 G432 S433L185-I430 HydrophobicContact CB-CB 3.5Å; L185-I430 HydrophobicContact CB-CD1 4.06Å; L185-I430 HydrophobicContact CB-CG1 4.36Å; L185-I430 HydrophobicContact CB-CG2 3.44Å; L185-I430 VanDerWaalsContact CB-CG2 3.44Å; L185-I430 HydrophobicContact CD1-CB 3.76Å; L185-I430 HydrophobicContact CD1-CD1 4.3Å; L185-I430 HydrophobicContact CD1-CG1 4.32Å; L185-I430 HydrophobicContact CG-CB 4.21Å; I427-I430 HydrophobicContact CD1-CD1 4.04Å; I427-I430 HydrophobicContact CD1-CG1 4.5Å; I427-I430 HydrophobicContact CG2-CD1 3.9Å; I427-I430 HydrophobicContact CG2-CG1 3.38Å; I430-G432 PolarHBondContact O-N 3.33Å; I430-S433 PolarHBondContact N-O 3.1Å; I430-S433 PolarHBondContact O-N 3.19Å; I430-S433 VanDerWaalsContact O-N 3.1Å
431K75.9Confident89Confident135 Ų13538.4 Ų38.459%0.58720%0.201SC*.THydrogen-bonded Turntrans50.441.1-176.2-61.6178.7-178158.60113.6L185 D187 S433L185-K431 VanDerWaalsContact O-CD 3.23Å; L185-K431 WeakPolarHBondContact O-CD 3.31Å; L185-K431 WeakPolarHBondContact O-CE 3.48Å; L185-K431 PolarHBondContact O-NZ 3.4Å; D187-K431 IonicContact OD1-NZ 2.66Å; D187-K431 PolarHBondContact OD1-NZ 2.99Å; D187-K431 IonicContact OD2-NZ 3.65Å; D187-K431 PolarHBondContact OD2-NZ 2.9Å; K431-S433 VanDerWaalsContact C-N 3.27Å; K431-S433 PolarHBondContact O-N 2.87Å
432G74.9Confident89Confident54 Ų5438.2 Ų38.256%0.55720%0.2SC*.THydrogen-bonded Turntrans766.1177.500000115.5I430I430-G432 PolarHBondContact O-N 3.33Å
433S82.1Confident88.6Confident7 Ų735.1 Ų35.15%0.04918%0.179CC..EExtended strand (participates in β ladder)trans-105.8139.6172-61.60000110.7Q80 E429 I430 K431Q80-S433 WeakPolarHBondContact CB-OG 3.49Å; Q80-S433 PolarHBondContact N-OG 2.87Å; E429-S433 CarbonylContact C-O 3.59Å; E429-S433 WeakPolarHBondContact CA-O 3.35Å; E429-S433 WeakPolarHBondContact CB-O 3.28Å; I430-S433 PolarHBondContact N-O 3.1Å; I430-S433 PolarHBondContact O-N 3.19Å; I430-S433 VanDerWaalsContact O-N 3.1Å; K431-S433 VanDerWaalsContact C-N 3.27Å; K431-S433 PolarHBondContact O-N 2.87Å
434D84.9Confident88.2Confident33 Ų3333 Ų3318%0.17617%0.172CC..EExtended strand (participates in β ladder)trans-65.1136178.8-72.5-62.1000110.8Y63 Q80 G436Y63-D434 HydrophobicContact CE1-CB 3.96Å; Y63-D434 WeakPolarHBondContact CE1-OD2 3.34Å; Q80-D434 PolarHBondContact NE2-OD2 3.13Å; D434-G436 PolarHBondContact O-N 2.92Å
435A86.9Confident87.6Confident11 Ų1133.7 Ų33.79%0.09118%0.176CC..  trans-77.1117.1172.200000109.8F347 I427 K428F347-A435 HydrophobicContact CB-CB 3.57Å; F347-A435 HydrophobicContact CD1-CB 4.34Å; F347-A435 HydrophobicContact CD2-CB 4.28Å; F347-A435 WeakPolarHBondContact CD2-O 3.44Å; F347-A435 HydrophobicContact CG-CB 3.83Å; I427-A435 HydrophobicContact CG2-CB 3.9Å; K428-A435 PolarHBondContact O-N 3Å
436G90.5Very high86.7Confident11 Ų1128.2 Ų28.211%0.11315%0.152CC..SBendtrans-178.3174.2-178.500000111.5T181 D434 T438T181-G436 WeakPolarHBondContact CB-O 3.08Å; T181-G436 VanDerWaalsContact CG2-O 3.31Å; T181-G436 WeakPolarHBondContact CG2-O 3.25Å; T181-G436 PolarHBondContact OG1-O 3.28Å; D434-G436 PolarHBondContact O-N 2.92Å; G436-T438 VanDerWaalsContact C-N 3.31Å; G436-T438 PolarHBondContact O-N 2.93Å
437W93.7Very high85.7Confident3 Ų329.6 Ų29.61%0.01116%0.16CC..Hα-helixtrans-73.3-20.5-175.166.8-95.5000113.8V52 D54 G129 T131 L169 E174 F177 L439 G440 Y441V52-W437 HydrophobicContact CG1-CH2 3.82Å; V52-W437 HydrophobicContact CG1-CZ3 3.98Å; D54-W437 HydrophobicContact CB-CZ2 3.88Å; D54-W437 WeakPolarHBondContact OD1-CZ2 3.44Å; D54-W437 PolarHBondContact OD1-NE1 2.88Å; D54-W437 PolarHBondContact OD2-NE1 3.25Å; D54-W437 VanDerWaalsContact OD2-NE1 3.14Å; G129-W437 WeakPolarHBondContact O-CZ2 3.33Å; T131-W437 HydrophobicContact CG2-CZ2 4.36Å; L169-W437 HydrophobicContact CD1-CH2 4.29Å; L169-W437 HydrophobicContact CD1-CZ3 4.39Å; L169-W437 HydrophobicContact CD2-CD2 3.91Å; L169-W437 HydrophobicContact CD2-CE3 3.53Å; L169-W437 HydrophobicContact CD2-CH2 4.11Å; L169-W437 HydrophobicContact CD2-CZ2 4.37Å; L169-W437 HydrophobicContact CD2-CZ3 3.67Å; E174-W437 HydrophobicContact CG-CG 4.27Å; E174-W437 WeakPolarHBondContact O-CB 3.44Å; F177-W437 HydrophobicContact CB-CB 3.95Å; F177-W437 WeakPolarHBondContact CB-O 3.28Å; W437-L439 PolarHBondContact O-N 2.92Å; W437-G440 PolarHBondContact O-N 3.13Å; W437-Y441 HydrophobicContact CE3-CG 4.28Å; W437-Y441 AromaticContact CZ3-CD1 3.95Å; W437-Y441 HydrophobicContact CZ3-CD1 3.95Å; W437-Y441 AromaticContact CZ3-CG 3.85Å; W437-Y441 HydrophobicContact CZ3-CG 3.85Å; W437-Y441 PolarHBondContact O-N 2.88Å
438T94.4Very high84.6Confident3 Ų335.6 Ų35.62%0.01819%0.19CC..Hα-helixtrans-63.2-38.9-171.448.80000114V52 D54 Y63 Y65 G436 Y441 M442V52-T438 HydrophobicContact CB-CG2 4.27Å; V52-T438 HydrophobicContact CG1-CG2 3.71Å; D54-T438 HydrophobicContact CB-CG2 3.7Å; Y63-T438 HydrophobicContact CD2-CG2 3.89Å; Y63-T438 HydrophobicContact CE2-CG2 4.18Å; Y65-T438 WeakPolarHBondContact OH-CB 3.28Å; Y65-T438 PolarHBondContact OH-OG1 3.5Å; G436-T438 VanDerWaalsContact C-N 3.31Å; G436-T438 PolarHBondContact O-N 2.93Å; T438-Y441 PolarHBondContact O-N 2.88Å; T438-M442 WeakPolarHBondContact O-CB 3.32Å; T438-M442 PolarHBondContact O-N 3.43Å
439L91.5Very high83.5Confident0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-68.2-45.7177.817762000111.2Y65 V78 T181 Y184 L185 W437 Y441 M442 L443Y65-L439 HydrophobicContact CD1-CD1 3.73Å; Y65-L439 HydrophobicContact CE1-CB 3.95Å; Y65-L439 HydrophobicContact CE1-CD1 3.63Å; Y65-L439 HydrophobicContact CE1-CG 4.32Å; Y65-L439 HydrophobicContact CG-CD1 4.49Å; Y65-L439 PolarHBondContact OH-N 2.79Å; V78-L439 HydrophobicContact CB-CD1 3.8Å; V78-L439 HydrophobicContact CG1-CD1 3.42Å; V78-L439 VanDerWaalsContact CG1-CD1 3.42Å; T181-L439 HydrophobicContact CG2-CB 4.06Å; T181-L439 HydrophobicContact CG2-CD2 4.08Å; Y184-L439 HydrophobicContact CD1-CD2 3.65Å; Y184-L439 HydrophobicContact CD1-CG 4.23Å; Y184-L439 HydrophobicContact CE1-CD1 4.43Å; Y184-L439 HydrophobicContact CE1-CD2 3.96Å; Y184-L439 HydrophobicContact CE1-CG 4.49Å; L185-L439 HydrophobicContact CD1-CD2 3.94Å; L185-L439 HydrophobicContact CD2-CD2 3.51Å; L185-L439 HydrophobicContact CG-CD2 3.71Å; W437-L439 PolarHBondContact O-N 2.92Å; L439-Y441 VanDerWaalsContact C-N 3.28Å; L439-Y441 PolarHBondContact O-N 2.8Å; L439-M442 PolarHBondContact O-N 2.97Å; L439-L443 HydrophobicContact CD1-CD1 4.28Å; L439-L443 HydrophobicContact CD1-CG 4.31Å; L439-L443 HydrophobicContact CG-CD1 3.96Å; L439-L443 HydrophobicContact CG-CG 4.47Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.35Å; L439-L443 PolarHBondContact O-N 3.45Å
440G91.6Very high82.6Confident0 Ų033.8 Ų33.80%019%0.192CC..Hα-helixtrans-60-38.5174.500000112.9T181 W437 L443 N444T181-G440 PolarHBondContact OG1-N 2.89Å; W437-G440 PolarHBondContact O-N 3.13Å; G440-L443 PolarHBondContact O-N 3.38Å; G440-N444 PolarHBondContact O-N 2.89Å
441Y92.4Very high82.3Confident21 Ų2135.1 Ų35.18%0.08221%0.207CC..Hα-helixtrans-62.1-48.9172.4-176.4-113.2000111.4V52 Y127 R167 F177 W437 T438 L439 L443 N444 L445V52-Y441 HydrophobicContact CG1-CD1 4.2Å; V52-Y441 HydrophobicContact CG2-CD1 4.27Å; Y127-Y441 HydrophobicContact CD1-CE1 4.01Å; Y127-Y441 HydrophobicContact CD2-CE1 4.43Å; Y127-Y441 AromaticContact CG-CE1 3.88Å; Y127-Y441 HydrophobicContact CG-CE1 3.88Å; R167-Y441 VanDerWaalsContact NH2-CE2 3.33Å; F177-Y441 AromaticContact CD2-CD2 3.96Å; F177-Y441 HydrophobicContact CD2-CD2 3.96Å; F177-Y441 HydrophobicContact CE1-CD2 4.31Å; F177-Y441 AromaticContact CE2-CD2 3.49Å; F177-Y441 HydrophobicContact CE2-CD2 3.49Å; F177-Y441 VanDerWaalsContact CE2-CD2 3.49Å; F177-Y441 HydrophobicContact CE2-CE2 4.22Å; F177-Y441 HydrophobicContact CE2-CG 4.45Å; F177-Y441 AromaticContact CZ-CD2 3.7Å; F177-Y441 HydrophobicContact CZ-CD2 3.7Å; F177-Y441 HydrophobicContact CZ-CE2 4.36Å; W437-Y441 HydrophobicContact CE3-CG 4.28Å; W437-Y441 AromaticContact CZ3-CD1 3.95Å; W437-Y441 HydrophobicContact CZ3-CD1 3.95Å; W437-Y441 AromaticContact CZ3-CG 3.85Å; W437-Y441 HydrophobicContact CZ3-CG 3.85Å; W437-Y441 PolarHBondContact O-N 2.88Å; T438-Y441 PolarHBondContact O-N 2.88Å; L439-Y441 VanDerWaalsContact C-N 3.28Å; L439-Y441 PolarHBondContact O-N 2.8Å; Y441-L443 PolarHBondContact O-N 2.59Å; Y441-N444 PolarHBondContact O-N 2.8Å; Y441-L445 HydrophobicContact CD1-CD1 3.77Å; Y441-L445 HydrophobicContact CE1-CD1 3.42Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.42Å; Y441-L445 HydrophobicContact CE1-CG 4.44Å; Y441-L445 HydrophobicContact CE2-CD1 4.27Å; Y441-L445 HydrophobicContact CG-CD1 4.38Å; Y441-L445 WeakPolarHBondContact O-CG 3.47Å; Y441-L445 PolarHBondContact O-N 3.27Å
442M91.3Very high82.2Confident0 Ų031.1 Ų31.10%019%0.19CC..Hα-helixtrans-62.3-41.7177.5-17554.661.500112.1V52 Y65 W67 V78 Y127 T438 L439 N444 L445 T446V52-M442 HydrophobicContact CG2-CB 4.33Å; V52-M442 HydrophobicContact CG2-CE 3.3Å; Y65-M442 HydrophobicContact CD2-CB 3.92Å; Y65-M442 HydrophobicContact CD2-CE 4.45Å; Y65-M442 HydrophobicContact CD2-CG 3.89Å; Y65-M442 HydrophobicContact CE2-CB 4.29Å; Y65-M442 HydrophobicContact CG-CB 4.48Å; Y65-M442 HydrophobicContact CG-CG 4.17Å; W67-M442 HydrophobicContact CH2-SD 3.99Å; W67-M442 HydrophobicContact CZ3-CG 4.22Å; W67-M442 HydrophobicContact CZ3-SD 3.95Å; V78-M442 HydrophobicContact CG1-CG 4.12Å; Y127-M442 HydrophobicContact CD2-CE 4.29Å; Y127-M442 HydrophobicContact CE2-CE 4.49Å; T438-M442 WeakPolarHBondContact O-CB 3.32Å; T438-M442 PolarHBondContact O-N 3.43Å; L439-M442 PolarHBondContact O-N 2.97Å; M442-N444 PolarHBondContact O-N 3.44Å; M442-L445 CarbonylContact O-C 3.6Å; M442-L445 WeakPolarHBondContact O-CB 3.19Å; M442-L445 PolarHBondContact O-N 3.37Å; M442-T446 VanDerWaalsContact O-CG2 3.24Å; M442-T446 WeakPolarHBondContact O-CG2 3.25Å; M442-T446 PolarHBondContact O-N 3.49Å
443L85.9Confident81.7Confident1 Ų132.4 Ų32.41%0.00520%0.195CC..Hα-helixtrans-59.4-47.5176.3-80.1162.7000112.1T75 V78 V180 Y184 L439 G440 Y441 L445 T446T75-L443 HydrophobicContact CG2-CD2 4.29Å; V78-L443 HydrophobicContact CB-CD2 3.84Å; V78-L443 HydrophobicContact CB-CG 4.24Å; V78-L443 HydrophobicContact CG2-CD2 3.53Å; V78-L443 HydrophobicContact CG2-CG 4.1Å; V180-L443 HydrophobicContact CG1-CB 4.45Å; V180-L443 HydrophobicContact CG1-CD1 4.03Å; Y184-L443 HydrophobicContact CD1-CD1 3.52Å; Y184-L443 HydrophobicContact CD2-CD1 3.65Å; Y184-L443 HydrophobicContact CD2-CD2 3.91Å; Y184-L443 HydrophobicContact CD2-CG 4.46Å; Y184-L443 HydrophobicContact CE1-CD1 4.06Å; Y184-L443 HydrophobicContact CE1-CD2 4.37Å; Y184-L443 HydrophobicContact CE2-CD1 4.2Å; Y184-L443 HydrophobicContact CE2-CD2 3.74Å; Y184-L443 HydrophobicContact CG-CD1 3.27Å; Y184-L443 HydrophobicContact CG-CD2 4.33Å; Y184-L443 HydrophobicContact CG-CG 4.43Å; L439-L443 HydrophobicContact CD1-CD1 4.28Å; L439-L443 HydrophobicContact CD1-CG 4.31Å; L439-L443 HydrophobicContact CG-CD1 3.96Å; L439-L443 HydrophobicContact CG-CG 4.47Å; L439-L443 WeakPolarHBondContact O-CB 3.44Å; L439-L443 WeakPolarHBondContact O-CG 3.35Å; L439-L443 PolarHBondContact O-N 3.45Å; G440-L443 PolarHBondContact O-N 3.38Å; Y441-L443 PolarHBondContact O-N 2.59Å; L443-L445 VanDerWaalsContact C-N 3.26Å; L443-L445 PolarHBondContact O-N 2.92Å; L443-T446 WeakPolarHBondContact O-CB 3.26Å; L443-T446 PolarHBondContact O-N 3.46Å; L443-T446 PolarHBondContact O-OG1 2.94Å
444N85.9Confident80.8Confident51 Ų5136 Ų3627%0.27322%0.219SC..Hα-helixtrans-59.4-41.2176.1-175.349.4000111.3F177 G440 Y441 M442 T446 N447F177-N444 HydrophobicContact CD1-CB 4.5Å; F177-N444 HydrophobicContact CE1-CB 3.8Å; G440-N444 PolarHBondContact O-N 2.89Å; Y441-N444 PolarHBondContact O-N 2.8Å; M442-N444 PolarHBondContact O-N 3.44Å; N444-T446 VanDerWaalsContact C-N 3.31Å; N444-T446 PolarHBondContact O-N 3.4Å; N444-N447 WeakPolarHBondContact O-CB 3.26Å; N444-N447 PolarHBondContact O-N 3.35Å
445L82.6Confident80Confident15 Ų1537.9 Ų37.98%0.07923%0.229CC..Hα-helixtrans-67.4-29.2175.1-68.1171.5000113Y127 Y441 M442 L443 N447 M448 I449Y127-L445 HydrophobicContact CD1-CD1 4.21Å; Y127-L445 HydrophobicContact CD2-CD1 3.82Å; Y127-L445 HydrophobicContact CE1-CD1 3.83Å; Y127-L445 HydrophobicContact CE1-CD2 4.37Å; Y127-L445 HydrophobicContact CE2-CD1 3.4Å; Y127-L445 VanDerWaalsContact CE2-CD1 3.4Å; Y127-L445 HydrophobicContact CG-CD1 4.21Å; Y127-L445 VanDerWaalsContact CZ-CD1 3.44Å; Y441-L445 HydrophobicContact CD1-CD1 3.77Å; Y441-L445 HydrophobicContact CE1-CD1 3.42Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.42Å; Y441-L445 HydrophobicContact CE1-CG 4.44Å; Y441-L445 HydrophobicContact CE2-CD1 4.27Å; Y441-L445 HydrophobicContact CG-CD1 4.38Å; Y441-L445 WeakPolarHBondContact O-CG 3.47Å; Y441-L445 PolarHBondContact O-N 3.27Å; M442-L445 CarbonylContact O-C 3.6Å; M442-L445 WeakPolarHBondContact O-CB 3.19Å; M442-L445 PolarHBondContact O-N 3.37Å; L443-L445 VanDerWaalsContact C-N 3.26Å; L443-L445 PolarHBondContact O-N 2.92Å; L445-N447 PolarHBondContact O-N 3.01Å; L445-M448 HydrophobicContact CD2-SD 4.05Å; L445-M448 WeakPolarHBondContact O-CA 3.31Å; L445-M448 WeakPolarHBondContact O-CB 3.49Å; L445-M448 PolarHBondContact O-N 3.41Å; L445-I449 PolarHBondContact O-N 3.35Å
446T77.7Confident79Confident0 Ų042.1 Ų42.10%026%0.258CS..Hα-helixtrans-60.4-30.4174.271.90000111.9W67 K71 G76 V78 M442 L443 N444 M448 I449W67-T446 HydrophobicContact CD2-CG2 4.2Å; W67-T446 HydrophobicContact CE3-CG2 4.48Å; W67-T446 HydrophobicContact CH2-CG2 4.43Å; W67-T446 HydrophobicContact CZ2-CG2 4.15Å; K71-T446 PolarHBondContact NZ-O 3.02Å; G76-T446 PolarHBondContact N-OG1 3.39Å; G76-T446 VanDerWaalsContact N-OG1 3.08Å; V78-T446 HydrophobicContact CG2-CG2 3.5Å; M442-T446 VanDerWaalsContact O-CG2 3.24Å; M442-T446 WeakPolarHBondContact O-CG2 3.25Å; M442-T446 PolarHBondContact O-N 3.49Å; L443-T446 WeakPolarHBondContact O-CB 3.26Å; L443-T446 PolarHBondContact O-N 3.46Å; L443-T446 PolarHBondContact O-OG1 2.94Å; N444-T446 VanDerWaalsContact C-N 3.31Å; N444-T446 PolarHBondContact O-N 3.4Å; T446-M448 PolarHBondContact O-N 3.01Å; T446-I449 PolarHBondContact O-N 3.45Å; T446-I449 VanDerWaalsContact O-N 3.12Å
447N74.1Confident78.3Confident51 Ų5144.1 Ų44.127%0.27327%0.269SS..THydrogen-bonded Turntrans-62.8-23.3174.5-70.3-11.6000112.9N74 T75 N444 L445N74-N447 WeakPolarHBondContact O-CA 3.34Å; N74-N447 PolarHBondContact O-OD1 3.22Å; T75-N447 VanDerWaalsContact CA-OD1 3.24Å; T75-N447 WeakPolarHBondContact CA-OD1 3.29Å; T75-N447 WeakPolarHBondContact CB-OD1 3.28Å; T75-N447 PolarHBondContact OG1-OD1 3.12Å; N444-N447 WeakPolarHBondContact O-CB 3.26Å; N444-N447 PolarHBondContact O-N 3.35Å; L445-N447 PolarHBondContact O-N 3.01Å
448M69.1Low77.5Confident149 Ų14948.6 Ų48.673%0.73430%0.298SS*.THydrogen-bonded Turntrans-88.3-16.7178.6-57.9179.96100113.1L445 T446L445-M448 HydrophobicContact CD2-SD 4.05Å; L445-M448 WeakPolarHBondContact O-CA 3.31Å; L445-M448 WeakPolarHBondContact O-CB 3.49Å; L445-M448 PolarHBondContact O-N 3.41Å; T446-M448 PolarHBondContact O-N 3.01Å
449I65.6Low76.9Confident37 Ų3750.7 Ų50.719%0.1931%0.309CS..SBendtrans-85132.8179.2-64.3170.8000108.1K48 W67 K71 P125 L445 T446 A451K48-I449 HydrophobicContact CD-CG2 3.95Å; W67-I449 HydrophobicContact CH2-CD1 4.05Å; W67-I449 HydrophobicContact CZ2-CD1 3.64Å; K71-I449 PolarHBondContact NZ-O 2.99Å; P125-I449 HydrophobicContact CG-CD1 4.37Å; L445-I449 PolarHBondContact O-N 3.35Å; T446-I449 PolarHBondContact O-N 3.45Å; T446-I449 VanDerWaalsContact O-N 3.12Å; I449-A451 PolarHBondContact O-N 2.9Å
450P66.4Low76.4Confident100 Ų10055.3 Ų55.365%0.64934%0.339SS*.PPolyproline II helixtrans-64.2138.6174.3-23.433.9000111.8K48K48-P450 PolarHBondContact NZ-O 3.48Å
451A70.7Confident76Confident55 Ų5562.5 Ų62.546%0.45537%0.372SS..PPolyproline II helixtrans-66.9140.1168.700000109.6K71 I449K71-A451 HydrophobicContact CB-CB 4.18Å; K71-A451 HydrophobicContact CD-CB 4.1Å; K71-A451 HydrophobicContact CG-CB 3.92Å; I449-A451 PolarHBondContact O-N 2.9Å
452E74.3Confident75.7Confident52 Ų5264.8 Ų64.824%0.24340%0.396CS..PPolyproline II helixtrans-92.3139.9168.7-71.1174.8-156.100109.2K48 A69K48-E452 VanDerWaalsContact CE-CD 3.46Å; K48-E452 WeakPolarHBondContact CE-OE1 3.43Å; K48-E452 IonicContact NZ-OE1 2.74Å; K48-E452 PolarHBondContact NZ-OE1 2.65Å; A69-E452 HydrophobicContact CB-CB 3.84Å; A69-E452 HydrophobicContact CB-CG 4.29Å; A69-E452 PolarHBondContact O-N 2.93Å
453A63.5Low75.4Confident80 Ų8065.9 Ų65.966%0.66141%0.407SS*.PPolyproline II helixtrans-64.8143.1172.400000109.8D455A453-D455 PolarHBondContact O-N 3.49Å
454P63.5Low75.5Confident83 Ų8368.3 Ų68.354%0.53942%0.416SS..PPolyproline II helixtrans-55.6141.6169.521.1-29.7000109.4E70 S456E70-P454 WeakPolarHBondContact OE1-CB 3.32Å; P454-S456 PolarHBondContact O-N 3.41Å
455D67.5Low75.5Confident73 Ų7368.8 Ų68.839%0.3942%0.421SS..PPolyproline II helixtrans-61124.8166.6-81-19.5000107.7V43 K46 A453V43-D455 HydrophobicContact CG1-CB 3.33Å; V43-D455 WeakPolarHBondContact CG1-O 3.42Å; K46-D455 VanDerWaalsContact CE-CG 3.45Å; K46-D455 WeakPolarHBondContact CE-OD1 3.39Å; K46-D455 WeakPolarHBondContact CE-OD2 3.31Å; K46-D455 VanDerWaalsContact NZ-CG 3.29Å; K46-D455 IonicContact NZ-OD1 2.8Å; K46-D455 PolarHBondContact NZ-OD1 3.48Å; K46-D455 IonicContact NZ-OD2 3.64Å; K46-D455 PolarHBondContact NZ-OD2 2.98Å; A453-D455 PolarHBondContact O-N 3.49Å
456S67.4Low75.8Confident99 Ų9971.2 Ų71.269%0.69244%0.439SS*.PPolyproline II helixtrans-89.3147.9177.849.70000110.1P454P454-S456 PolarHBondContact O-N 3.41Å
457P75.3Confident76.3Confident54 Ų5474 Ų7435%0.35145%0.454SS..PPolyproline II helixtrans-51.8149.5165-24.433.8000110.3Q39 L459Q39-P457 HydrophobicContact CG-CB 4.48Å; Q39-P457 VanDerWaalsContact NE2-CB 3.31Å; P457-L459 PolarHBondContact O-N 2.99Å
458P77.5Confident77Confident97 Ų9773.6 Ų73.663%0.6345%0.453SS*.SBendtrans-58.5-25.7-173.421.2-32.1000113.4
459L80.4Confident78Confident47 Ų4769.8 Ų69.825%0.24644%0.438CS..SBendtrans-115137.4175.8-64.4162.9000111.3V35 Q39 P457 I467V35-L459 HydrophobicContact CG1-CD1 4.05Å; Q39-L459 PolarHBondContact NE2-O 2.9Å; P457-L459 PolarHBondContact O-N 2.99Å; L459-I467 HydrophobicContact CD1-CD1 3.63Å; L459-I467 HydrophobicContact CD2-CD1 3.76Å; L459-I467 HydrophobicContact CG-CD1 4.35Å
460P82.4Confident79.2Confident97 Ų9772.5 Ų72.563%0.6346%0.456SS*.  trans-57.4152.9164.6-20.130.9000110.7A462 G463 Y464P460-A462 VanDerWaalsContact C-N 3.26Å; P460-A462 PolarHBondContact O-N 3.48Å; P460-A462 VanDerWaalsContact O-N 3.17Å; P460-G463 WeakPolarHBondContact O-CA 3.49Å; P460-G463 PolarHBondContact O-N 3.34Å; P460-Y464 PolarHBondContact O-N 2.97Å
461H82.8Confident80.3Confident151 Ų15169 Ų6970%0.69943%0.432SS*.Hα-helixtrans-51.3-45.1-179.2-175-82.4000112.6G463 Y464 V465H461-G463 VanDerWaalsContact C-N 3.35Å; H461-G463 PolarHBondContact O-N 2.94Å; H461-Y464 PolarHBondContact O-N 3.4Å; H461-V465 VanDerWaalsContact O-CG2 3.3Å; H461-V465 WeakPolarHBondContact O-CG2 3.33Å; H461-V465 PolarHBondContact O-N 2.87Å
462A85.6Confident81.2Confident69 Ų6968.6 Ų68.657%0.5743%0.428SS*.Hα-helixtrans-62.8-38.5176.200000112.9P460 S466P460-A462 VanDerWaalsContact C-N 3.26Å; P460-A462 PolarHBondContact O-N 3.48Å; P460-A462 VanDerWaalsContact O-N 3.17Å; A462-S466 VanDerWaalsContact O-CB 3.29Å; A462-S466 WeakPolarHBondContact O-CB 3.44Å; A462-S466 PolarHBondContact O-N 3.17Å; A462-S466 PolarHBondContact O-OG 2.94Å
463G85.8Confident82Confident23 Ų2371.2 Ų71.224%0.23744%0.443CS..Hα-helixtrans-67.4-44.1176.900000112.2P460 H461 S466 I467P460-G463 WeakPolarHBondContact O-CA 3.49Å; P460-G463 PolarHBondContact O-N 3.34Å; H461-G463 VanDerWaalsContact C-N 3.35Å; H461-G463 PolarHBondContact O-N 2.94Å; G463-S466 PolarHBondContact O-N 3.25Å; G463-I467 WeakPolarHBondContact O-CG1 3.23Å; G463-I467 PolarHBondContact O-N 2.87Å
464Y86.6Confident83.4Confident51 Ų5170.9 Ų70.920%0.243%0.43CS..Hα-helixtrans-59.8-50.7174.5173.5-110.2000111.8V35 Q39 P460 H461 S466 I467 V468V35-Y464 HydrophobicContact CG1-CD2 3.93Å; V35-Y464 HydrophobicContact CG1-CE2 4Å; Q39-Y464 HydrophobicContact CB-CD2 3.91Å; Q39-Y464 HydrophobicContact CB-CE2 3.86Å; Q39-Y464 HydrophobicContact CG-CD1 4.44Å; Q39-Y464 HydrophobicContact CG-CD2 3.54Å; Q39-Y464 HydrophobicContact CG-CE2 3.81Å; Q39-Y464 HydrophobicContact CG-CG 3.88Å; P460-Y464 PolarHBondContact O-N 2.97Å; H461-Y464 PolarHBondContact O-N 3.4Å; Y464-S466 VanDerWaalsContact C-N 3.3Å; Y464-S466 PolarHBondContact O-N 2.89Å; Y464-I467 PolarHBondContact O-N 2.68Å; Y464-V468 HydrophobicContact CD2-CG2 3.99Å; Y464-V468 HydrophobicContact CE1-CG2 4.28Å; Y464-V468 HydrophobicContact CE2-CG2 3.62Å; Y464-V468 HydrophobicContact CG-CG2 4.48Å; Y464-V468 WeakPolarHBondContact O-CB 3.48Å; Y464-V468 VanDerWaalsContact O-CG2 3.31Å; Y464-V468 WeakPolarHBondContact O-CG2 3.48Å; Y464-V468 PolarHBondContact O-N 3.45Å
465V87.3Confident84.6Confident61 Ų6169 Ų6937%0.3742%0.415SS..Hα-helixtrans-60.5-40.6177.7173.30000111.2H461 V468 T469H461-V465 VanDerWaalsContact O-CG2 3.3Å; H461-V465 WeakPolarHBondContact O-CG2 3.33Å; H461-V465 PolarHBondContact O-N 2.87Å; V465-V468 PolarHBondContact O-N 2.94Å; V465-T469 HydrophobicContact CG1-CG2 4.22Å; V465-T469 WeakPolarHBondContact O-CB 3.39Å; V465-T469 VanDerWaalsContact O-CG2 3.24Å; V465-T469 WeakPolarHBondContact O-CG2 3.35Å; V465-T469 PolarHBondContact O-N 2.87Å; V465-T469 PolarHBondContact O-OG1 3.27Å
466S87.6Confident85.7Confident66 Ų6671.4 Ų71.446%0.46242%0.422SS..Hα-helixtrans-64.4-44.6178.3-59.50000111.8A462 G463 Y464 T469 V470A462-S466 VanDerWaalsContact O-CB 3.29Å; A462-S466 WeakPolarHBondContact O-CB 3.44Å; A462-S466 PolarHBondContact O-N 3.17Å; A462-S466 PolarHBondContact O-OG 2.94Å; G463-S466 PolarHBondContact O-N 3.25Å; Y464-S466 VanDerWaalsContact C-N 3.3Å; Y464-S466 PolarHBondContact O-N 2.89Å; S466-T469 WeakPolarHBondContact CA-OG1 3.41Å; S466-T469 PolarHBondContact O-N 3Å; S466-T469 PolarHBondContact O-OG1 3.39Å; S466-V470 WeakPolarHBondContact O-CB 3.25Å; S466-V470 VanDerWaalsContact O-CG2 3.23Å; S466-V470 WeakPolarHBondContact O-CG2 3.35Å; S466-V470 PolarHBondContact O-N 2.89Å
467I88.3Confident86.7Confident60 Ų6071.2 Ų71.231%0.30841%0.413SS..Hα-helixtrans-65.4-45.6178.4-71.3165.8000110.8V35 L459 G463 Y464 T469 V470 I471V35-I467 HydrophobicContact CG1-CG2 4.35Å; V35-I467 HydrophobicContact CG2-CG2 4.46Å; L459-I467 HydrophobicContact CD1-CD1 3.63Å; L459-I467 HydrophobicContact CD2-CD1 3.76Å; L459-I467 HydrophobicContact CG-CD1 4.35Å; G463-I467 WeakPolarHBondContact O-CG1 3.23Å; G463-I467 PolarHBondContact O-N 2.87Å; Y464-I467 PolarHBondContact O-N 2.68Å; I467-T469 PolarHBondContact O-N 3.32Å; I467-V470 PolarHBondContact O-N 3.45Å; I467-I471 HydrophobicContact CG2-CD1 3.69Å; I467-I471 HydrophobicContact CG2-CG1 4.47Å; I467-I471 VanDerWaalsContact O-CG1 3.28Å; I467-I471 WeakPolarHBondContact O-CG1 3.42Å; I467-I471 PolarHBondContact O-N 3.31Å
468V89.6Confident87.4Confident42 Ų4269.6 Ų69.626%0.25540%0.401SS..Hα-helixtrans-62.7-43.3178.7172.50000111.3Y464 V465 I471 A472Y464-V468 HydrophobicContact CD2-CG2 3.99Å; Y464-V468 HydrophobicContact CE1-CG2 4.28Å; Y464-V468 HydrophobicContact CE2-CG2 3.62Å; Y464-V468 HydrophobicContact CG-CG2 4.48Å; Y464-V468 WeakPolarHBondContact O-CB 3.48Å; Y464-V468 VanDerWaalsContact O-CG2 3.31Å; Y464-V468 WeakPolarHBondContact O-CG2 3.48Å; Y464-V468 PolarHBondContact O-N 3.45Å; V465-V468 PolarHBondContact O-N 2.94Å; V468-I471 PolarHBondContact O-N 3.43Å; V468-A472 VanDerWaalsContact O-CB 3.23Å; V468-A472 WeakPolarHBondContact O-CB 3.29Å; V468-A472 PolarHBondContact O-N 2.89Å
469T89.1Confident87.8Confident68 Ų6870.8 Ų70.842%0.41740%0.396SS..Hα-helixtrans-66-42.4178.449.50000112.1V465 S466 I467 A472 L473V465-T469 HydrophobicContact CG1-CG2 4.22Å; V465-T469 WeakPolarHBondContact O-CB 3.39Å; V465-T469 VanDerWaalsContact O-CG2 3.24Å; V465-T469 WeakPolarHBondContact O-CG2 3.35Å; V465-T469 PolarHBondContact O-N 2.87Å; V465-T469 PolarHBondContact O-OG1 3.27Å; S466-T469 WeakPolarHBondContact CA-OG1 3.41Å; S466-T469 PolarHBondContact O-N 3Å; S466-T469 PolarHBondContact O-OG1 3.39Å; I467-T469 PolarHBondContact O-N 3.32Å; T469-A472 PolarHBondContact O-N 3.38Å; T469-L473 WeakPolarHBondContact O-CB 3.39Å; T469-L473 VanDerWaalsContact O-CG 3.26Å; T469-L473 WeakPolarHBondContact O-CG 3.3Å; T469-L473 PolarHBondContact O-N 2.88Å
470V91.7Very high88.1Confident94 Ų9471.8 Ų71.857%0.5740%0.401SS*.Hα-helixtrans-62.1-45.6175.91700000111.3S466 I467 L473 L474S466-V470 WeakPolarHBondContact O-CB 3.25Å; S466-V470 VanDerWaalsContact O-CG2 3.23Å; S466-V470 WeakPolarHBondContact O-CG2 3.35Å; S466-V470 PolarHBondContact O-N 2.89Å; I467-V470 PolarHBondContact O-N 3.45Å; V470-L473 PolarHBondContact O-N 3.46Å; V470-L474 WeakPolarHBondContact O-CB 3.25Å; V470-L474 PolarHBondContact O-N 3.17Å
471I89.9Confident88.2Confident27 Ų2770.3 Ų70.314%0.13839%0.388CS..Hα-helixtrans-67-39.9178.7-62.9168.3000110.9A28 L32 I467 V468 L474 L475A28-I471 HydrophobicContact CB-CG2 4.15Å; A28-I471 WeakPolarHBondContact O-CG2 3.23Å; L32-I471 HydrophobicContact CB-CG2 3.99Å; L32-I471 HydrophobicContact CD1-CB 4.39Å; L32-I471 HydrophobicContact CD1-CG2 3.92Å; I467-I471 HydrophobicContact CG2-CD1 3.69Å; I467-I471 HydrophobicContact CG2-CG1 4.47Å; I467-I471 VanDerWaalsContact O-CG1 3.28Å; I467-I471 WeakPolarHBondContact O-CG1 3.42Å; I467-I471 PolarHBondContact O-N 3.31Å; V468-I471 PolarHBondContact O-N 3.43Å; I471-L474 PolarHBondContact O-N 2.91Å; I471-L475 HydrophobicContact CG2-CD1 4.12Å; I471-L475 HydrophobicContact CG2-CG 4.39Å; I471-L475 WeakPolarHBondContact O-CB 3.26Å; I471-L475 WeakPolarHBondContact O-CG 3.4Å; I471-L475 PolarHBondContact O-N 3.41Å
472A88.9Confident88Confident47 Ų4765.5 Ų65.539%0.38837%0.371SS..Hα-helixtrans-63.5-42.8176.400000112.2V468 T469 L475 F476V468-A472 VanDerWaalsContact O-CB 3.23Å; V468-A472 WeakPolarHBondContact O-CB 3.29Å; V468-A472 PolarHBondContact O-N 2.89Å; T469-A472 PolarHBondContact O-N 3.38Å; A472-L475 PolarHBondContact O-N 3.38Å; A472-F476 WeakPolarHBondContact O-CB 3.36Å; A472-F476 PolarHBondContact O-N 3.37Å
473L91.9Very high87.8Confident107 Ų10765.6 Ų65.656%0.5636%0.362SS*.Hα-helixtrans-63.9-41.4174.6-73.4172.1000111.6T469 V470 F476 I477T469-L473 WeakPolarHBondContact O-CB 3.39Å; T469-L473 VanDerWaalsContact O-CG 3.26Å; T469-L473 WeakPolarHBondContact O-CG 3.3Å; T469-L473 PolarHBondContact O-N 2.88Å; V470-L473 PolarHBondContact O-N 3.46Å; L473-F476 WeakPolarHBondContact O-CB 3.38Å; L473-F476 PolarHBondContact O-N 2.76Å; L473-I477 VanDerWaalsContact O-CG1 3.25Å; L473-I477 WeakPolarHBondContact O-CG1 3.5Å; L473-I477 PolarHBondContact O-N 2.9Å
474L92Very high87.3Confident73 Ų7372.4 Ų72.438%0.38238%0.38SS..Hα-helixtrans-61.9-45.7175.5179.6131.1000111.4I24 A28 V470 I471 F476 I477 L478I24-L474 HydrophobicContact CG2-CD2 4.5Å; A28-L474 HydrophobicContact CB-CD2 3.65Å; V470-L474 WeakPolarHBondContact O-CB 3.25Å; V470-L474 PolarHBondContact O-N 3.17Å; I471-L474 PolarHBondContact O-N 2.91Å; L474-F476 VanDerWaalsContact C-N 3.32Å; L474-F476 PolarHBondContact O-N 3.38Å; L474-I477 PolarHBondContact O-N 3.13Å; L474-L478 HydrophobicContact CD2-CD1 3.57Å; L474-L478 HydrophobicContact CD2-CG 4.5Å; L474-L478 HydrophobicContact CG-CD1 4.11Å; L474-L478 WeakPolarHBondContact O-CB 3.48Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 3.19Å; L474-L478 PolarHBondContact O-N 2.86Å
475L90.1Very high86.4Confident42 Ų4274 Ų7422%0.2240%0.397CS..Hα-helixtrans-61.3-40174.6-72.7172.3000112A28 I29 L32 I471 A472 L478 F479A28-L475 HydrophobicContact CB-CD2 3.69Å; A28-L475 HydrophobicContact CB-CG 4.11Å; I29-L475 HydrophobicContact CG1-CD1 4.15Å; I29-L475 HydrophobicContact CG1-CD2 3.97Å; L32-L475 HydrophobicContact CD1-CD1 4.36Å; I471-L475 HydrophobicContact CG2-CD1 4.12Å; I471-L475 HydrophobicContact CG2-CG 4.39Å; I471-L475 WeakPolarHBondContact O-CB 3.26Å; I471-L475 WeakPolarHBondContact O-CG 3.4Å; I471-L475 PolarHBondContact O-N 3.41Å; A472-L475 PolarHBondContact O-N 3.38Å; L475-L478 PolarHBondContact O-N 3.26Å; L475-F479 VanDerWaalsContact O-CB 3.3Å; L475-F479 WeakPolarHBondContact O-CB 3.44Å; L475-F479 PolarHBondContact O-N 2.95Å
476F89.2Confident85.3Confident124 Ų12477.4 Ų77.454%0.54441%0.412SS..Hα-helixtrans-64.5-43.8176-177.7-107.4000112.3A472 L473 L474 F479 I480A472-F476 WeakPolarHBondContact O-CB 3.36Å; A472-F476 PolarHBondContact O-N 3.37Å; L473-F476 WeakPolarHBondContact O-CB 3.38Å; L473-F476 PolarHBondContact O-N 2.76Å; L474-F476 VanDerWaalsContact C-N 3.32Å; L474-F476 PolarHBondContact O-N 3.38Å; F476-F479 WeakPolarHBondContact O-CB 3.41Å; F476-F479 PolarHBondContact O-N 3.08Å; F476-I480 HydrophobicContact CD1-CD1 3.82Å; F476-I480 HydrophobicContact CE1-CD1 3.34Å; F476-I480 HydrophobicContact CE1-CG1 4.39Å; F476-I480 HydrophobicContact CE2-CD1 4.35Å; F476-I480 HydrophobicContact CZ-CD1 3.65Å; F476-I480 HydrophobicContact CZ-CG1 4.39Å; F476-I480 WeakPolarHBondContact O-CG1 3.23Å; F476-I480 PolarHBondContact O-N 3.31Å
477I89.9Confident84Confident95 Ų9583.2 Ų83.249%0.48742%0.424SS..Hα-helixtrans-63.4-45.9175.3-68.2164000110.4L473 L474 F479 I480 L481L473-I477 VanDerWaalsContact O-CG1 3.25Å; L473-I477 WeakPolarHBondContact O-CG1 3.5Å; L473-I477 PolarHBondContact O-N 2.9Å; L474-I477 PolarHBondContact O-N 3.13Å; I477-F479 VanDerWaalsContact C-N 3.28Å; I477-F479 PolarHBondContact O-N 2.87Å; I477-I480 PolarHBondContact O-N 2.86Å; I477-L481 HydrophobicContact CG2-CD1 3.89Å; I477-L481 HydrophobicContact CG2-CG 4.32Å; I477-L481 WeakPolarHBondContact O-CB 3.47Å; I477-L481 VanDerWaalsContact O-CG 3.28Å; I477-L481 WeakPolarHBondContact O-CG 3.24Å; I477-L481 PolarHBondContact O-N 3.16Å
478L88.8Confident82.5Confident21 Ų2185.6 Ų85.611%0.1144%0.443CS..Hα-helixtrans-61-38.4176.6-71.3170.7000111.7I21 I24 L474 L475 L481 S482I21-L478 HydrophobicContact CG1-CD2 4.44Å; I21-L478 HydrophobicContact CG2-CB 4.27Å; I21-L478 HydrophobicContact CG2-CD2 4.12Å; I24-L478 HydrophobicContact CB-CD1 4.33Å; I24-L478 HydrophobicContact CG2-CD1 3.72Å; I24-L478 HydrophobicContact CG2-CD2 4.4Å; L474-L478 HydrophobicContact CD2-CD1 3.57Å; L474-L478 HydrophobicContact CD2-CG 4.5Å; L474-L478 HydrophobicContact CG-CD1 4.11Å; L474-L478 WeakPolarHBondContact O-CB 3.48Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 3.19Å; L474-L478 PolarHBondContact O-N 2.86Å; L475-L478 PolarHBondContact O-N 3.26Å; L478-L481 PolarHBondContact O-N 3.07Å; L478-S482 WeakPolarHBondContact O-CB 3.42Å; L478-S482 PolarHBondContact O-N 3.1Å
479F86.3Confident80.9Confident121 Ų12193.4 Ų93.453%0.53147%0.474SS..Hα-helixtrans-63.1-48.9174.5-178.6-106.1000111.4L475 F476 I477 L481 S482 L483L475-F479 VanDerWaalsContact O-CB 3.3Å; L475-F479 WeakPolarHBondContact O-CB 3.44Å; L475-F479 PolarHBondContact O-N 2.95Å; F476-F479 WeakPolarHBondContact O-CB 3.41Å; F476-F479 PolarHBondContact O-N 3.08Å; I477-F479 VanDerWaalsContact C-N 3.28Å; I477-F479 PolarHBondContact O-N 2.87Å; F479-L481 VanDerWaalsContact C-N 3.32Å; F479-L481 PolarHBondContact O-N 2.86Å; F479-S482 WeakPolarHBondContact O-CB 3.39Å; F479-S482 PolarHBondContact O-N 3.27Å; F479-S482 VanDerWaalsContact O-N 3.13Å; F479-S482 PolarHBondContact O-OG 3.26Å; F479-L483 HydrophobicContact CD1-CD1 3.91Å; F479-L483 HydrophobicContact CE1-CD1 3.47Å; F479-L483 VanDerWaalsContact CE1-CD1 3.47Å; F479-L483 HydrophobicContact CE1-CG 4.39Å; F479-L483 HydrophobicContact CZ-CD1 3.81Å; F479-L483 HydrophobicContact CZ-CG 4.39Å; F479-L483 WeakPolarHBondContact O-CG 3.28Å; F479-L483 PolarHBondContact O-N 3.4Å; F479-L483 VanDerWaalsContact O-N 3.08Å
480I86.1Confident79.1Confident69 Ų6996.5 Ų96.535%0.35450%0.497SS..Hα-helixtrans-58.4-44.1174.5-68.8171.7000111.2F476 I477 S482 L483 R484F476-I480 HydrophobicContact CD1-CD1 3.82Å; F476-I480 HydrophobicContact CE1-CD1 3.34Å; F476-I480 HydrophobicContact CE1-CG1 4.39Å; F476-I480 HydrophobicContact CE2-CD1 4.35Å; F476-I480 HydrophobicContact CZ-CD1 3.65Å; F476-I480 HydrophobicContact CZ-CG1 4.39Å; F476-I480 WeakPolarHBondContact O-CG1 3.23Å; F476-I480 PolarHBondContact O-N 3.31Å; I477-I480 PolarHBondContact O-N 2.86Å; I480-S482 VanDerWaalsContact C-N 3.29Å; I480-S482 PolarHBondContact O-N 3.18Å; I480-L483 PolarHBondContact O-N 3.42Å; I480-L483 VanDerWaalsContact O-N 3.12Å; I480-R484 PolarHBondContact O-N 2.9Å; I480-R484 VanDerWaalsContact O-N 3.12Å
481L84.2Confident76.9Confident65 Ų6597.6 Ų97.634%0.3451%0.508SS..Hα-helixtrans-64.4-33.8178.2-71.3173.3000112.2I21 I477 L478 F479 L483 R484I21-L481 HydrophobicContact CD1-CB 4.21Å; I477-L481 HydrophobicContact CG2-CD1 3.89Å; I477-L481 HydrophobicContact CG2-CG 4.32Å; I477-L481 WeakPolarHBondContact O-CB 3.47Å; I477-L481 VanDerWaalsContact O-CG 3.28Å; I477-L481 WeakPolarHBondContact O-CG 3.24Å; I477-L481 PolarHBondContact O-N 3.16Å; L478-L481 PolarHBondContact O-N 3.07Å; F479-L481 VanDerWaalsContact C-N 3.32Å; F479-L481 PolarHBondContact O-N 2.86Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-R484 WeakPolarHBondContact O-CB 3.3Å; L481-R484 PolarHBondContact O-N 3.35Å
482S80.2Confident74.9Confident50 Ų50105.8 Ų105.835%0.3554%0.543SS..Hα-helixtrans-69.4-27.8174.180.20000113.1L478 F479 I480 P485L478-S482 WeakPolarHBondContact O-CB 3.42Å; L478-S482 PolarHBondContact O-N 3.1Å; F479-S482 WeakPolarHBondContact O-CB 3.39Å; F479-S482 PolarHBondContact O-N 3.27Å; F479-S482 VanDerWaalsContact O-N 3.13Å; F479-S482 PolarHBondContact O-OG 3.26Å; I480-S482 VanDerWaalsContact C-N 3.29Å; I480-S482 PolarHBondContact O-N 3.18Å; S482-P485 WeakPolarHBondContact O-CD 3.48Å
483L80.5Confident73.1Confident72 Ų72113 Ų11338%0.37757%0.566SS.*Hα-helixtrans-83.9-14.4176.1-66.4174.6000113.5F479 I480 L481 P485 I486F479-L483 HydrophobicContact CD1-CD1 3.91Å; F479-L483 HydrophobicContact CE1-CD1 3.47Å; F479-L483 VanDerWaalsContact CE1-CD1 3.47Å; F479-L483 HydrophobicContact CE1-CG 4.39Å; F479-L483 HydrophobicContact CZ-CD1 3.81Å; F479-L483 HydrophobicContact CZ-CG 4.39Å; F479-L483 WeakPolarHBondContact O-CG 3.28Å; F479-L483 PolarHBondContact O-N 3.4Å; F479-L483 VanDerWaalsContact O-N 3.08Å; I480-L483 PolarHBondContact O-N 3.42Å; I480-L483 VanDerWaalsContact O-N 3.12Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L483-P485 VanDerWaalsContact C-N 3.29Å; L483-P485 VanDerWaalsContact O-N 3.16Å; L483-I486 HydrophobicContact CD2-CD1 3.97Å; L483-I486 WeakPolarHBondContact O-CA 3.15Å; L483-I486 WeakPolarHBondContact O-CB 3.33Å; L483-I486 PolarHBondContact O-N 3.12Å
484R74.9Confident71.1Confident165 Ų165113.3 Ų113.362%0.62357%0.574SS**G310 helixtrans-51.3-33179.3-148.4178.5-169.3-178.83.5115.4I480 L481 I486 W487I480-R484 PolarHBondContact O-N 2.9Å; I480-R484 VanDerWaalsContact O-N 3.12Å; L481-R484 WeakPolarHBondContact O-CB 3.3Å; L481-R484 PolarHBondContact O-N 3.35Å; R484-I486 PolarHBondContact O-N 3.12Å; R484-W487 HydrophobicContact CG-CE3 4.36Å
485P67.3Low68.9Low85 Ų85119.1 Ų119.155%0.55260%0.599SS**G310 helixtrans-67.8-16.3173.2-17.931.7000114.6S482 L483S482-P485 WeakPolarHBondContact O-CD 3.48Å; L483-P485 VanDerWaalsContact C-N 3.29Å; L483-P485 VanDerWaalsContact O-N 3.16Å
486I64.2Low67Low132 Ų132124.6 Ų124.668%0.67763%0.627SS**G310 helixtrans-96.8-13.3-175.4-53.5170000111L483 R484L483-I486 HydrophobicContact CD2-CD1 3.97Å; L483-I486 WeakPolarHBondContact O-CA 3.15Å; L483-I486 WeakPolarHBondContact O-CB 3.33Å; L483-I486 PolarHBondContact O-N 3.12Å; R484-I486 PolarHBondContact O-N 3.12Å
487W60.6Low65Low189 Ų189128.6 Ų128.672%0.71666%0.661SS**SBendtrans-66.9128.4178.1-112.2-18000111.2R484 K489R484-W487 HydrophobicContact CG-CE3 4.36Å; W487-K489 PolarHBondContact O-N 3.25Å
488P57.1Low63.7Low110 Ų110130.3 Ų130.371%0.71467%0.669SS**  trans-64.4124.1177.324.6-30000109.6C490P488-C490 PolarHBondContact O-N 3.14Å
489K56.7Low62.4Low206 Ų206136 Ų13690%0.89670%0.699SS**  trans-64.4107.7170.4-74.6-178.5177.7177.60108.2W487 S491W487-K489 PolarHBondContact O-N 3.25Å; K489-S491 PolarHBondContact O-N 3.06Å; K489-S491 VanDerWaalsContact O-N 3.14Å
490C50.5Low61.1Low133 Ų133136.8 Ų136.890%0.89971%0.708SS**PPolyproline II helixtrans-57119.4166.2-85.40000108.9P488P488-C490 PolarHBondContact O-N 3.14Å
491S46.7Very low59.6Low116 Ų116140.8 Ų140.881%0.81173%0.729SS**PPolyproline II helixtrans-59.8141.4-172.8-170.10000112.5K489K489-S491 PolarHBondContact O-N 3.06Å; K489-S491 VanDerWaalsContact O-N 3.14Å
492K47.6Very low58.1Low199 Ų199145.6 Ų145.687%0.86575%0.753SS**PPolyproline II helixtrans-58.3141.8172.9-73.3176.5173.3-179.80110.4
493K50Low56.6Low200 Ų200151.9 Ų151.987%0.8778%0.78SS**PPolyproline II helixtrans-47.5136.8168.6-77.8179.3173-178.70111.2Q495K493-Q495 PolarHBondContact O-N 3.47Å
494P49.3Very low54.9Low113 Ų113157.6 Ų157.673%0.73481%0.809SS**PPolyproline II helixtrans-72.8125.2165.128.7-28.7000109.5
495Q46.2Very low53.4Low195 Ų195157.1 Ų157.191%0.91182%0.823SS**PPolyproline II helixtrans-66.6127.3155.9-86.5178-42.100107.6K493K493-Q495 PolarHBondContact O-N 3.47Å
496I51.6Low52.2Low156 Ų156163.1 Ų163.180%0.885%0.846SS**  trans-109.2126.1161.6-60.1177.4000105.8
497V46.2Very low51.1Low208 Ų208165.9 Ų165.9100%1.26186%0.861SS**  trans-69.90172.7172.40000110

Retrieved 497 of 497 residues in 1047.8 ms (Link to these results)

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