A0A087XDE5_POEFO Loading...

Adenylate cyclase type 2

Catalyzes the formation of the signaling molecule cAMP in response to G-protein signaling. Down-stream signaling cascades mediate changes in gene expression patterns and lead to increased IL6 production. Functions in signaling cascades downstream of the muscarinic acetylcholine receptors.

AlphaFold DB , UniProt , Accession A0A087XDE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 925 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
1M42.5Very low43.7Very low189 Ų189119.9 Ų119.993%0.93162%0.62SS**  0-61.80-111.3-169.5-57.700113.9A3 E4 L5M1-A3 PolarHBondContact O-N 3.46Å; M1-E4 PolarHBondContact O-N 2.92Å; M1-L5 PolarHBondContact O-N 2.93Å
2A37.8Very low44.6Very low79 Ų79114.1 Ų114.165%0.65360%0.597SS**Hα-helixtrans-63.3-37.2-178.200000114.3L5 M6A2-L5 PolarHBondContact O-N 3.11Å; A2-M6 PolarHBondContact O-N 3.19Å
3A40.3Very low45.7Very low79 Ų79109.5 Ų109.565%0.65359%0.585SS**Hα-helixtrans-67.5-35.6174.500000113M1 C7M1-A3 PolarHBondContact O-N 3.46Å; A3-C7 WeakPolarHBondContact O-CB 3.33Å; A3-C7 PolarHBondContact O-N 3.42Å
4E39.3Very low46.8Very low112 Ų112105.9 Ų105.952%0.52357%0.572SS.*Hα-helixtrans-71.4-37.2174.9-70.1-169.8149.700111.9M1 C7 M8 R554M1-E4 PolarHBondContact O-N 2.92Å; E4-C7 PolarHBondContact O-N 2.84Å; E4-M8 WeakPolarHBondContact O-CB 3.5Å; E4-M8 PolarHBondContact O-N 3.2Å; E4-R554 IonicContact OE2-NH2 3.89Å
5L42.1Very low48.1Very low108 Ų108103 Ų10357%0.56556%0.559SS**Hα-helixtrans-67.4-38.1174.9-13099.9000111.7M1 A2 R9M1-L5 PolarHBondContact O-N 2.93Å; A2-L5 PolarHBondContact O-N 3.11Å; L5-R9 WeakPolarHBondContact O-CB 3.18Å; L5-R9 WeakPolarHBondContact O-CG 3.33Å; L5-R9 PolarHBondContact O-N 3.18Å
6M40.6Very low49.3Very low121 Ų121100.6 Ų100.660%0.59655%0.552SS**Hα-helixtrans-65.8-41.4171-91.9-161.4-156.600112.1A2 R9 R10A2-M6 PolarHBondContact O-N 3.19Å; M6-R9 PolarHBondContact O-N 3.25Å; M6-R10 WeakPolarHBondContact O-CB 3.3Å; M6-R10 VanDerWaalsContact O-CG 3.32Å; M6-R10 WeakPolarHBondContact O-CG 3.25Å; M6-R10 PolarHBondContact O-N 3.36Å
7C42.1Very low51Low74 Ų74100.2 Ų100.250%0.555%0.553SS.*Hα-helixtrans-63-47176.4-165.50000110.8A3 E4 R9 R10 V11A3-C7 WeakPolarHBondContact O-CB 3.33Å; A3-C7 PolarHBondContact O-N 3.42Å; E4-C7 PolarHBondContact O-N 2.84Å; C7-R9 PolarHBondContact O-N 3.36Å; C7-R10 PolarHBondContact O-N 3.04Å; C7-V11 VanDerWaalsContact O-CG2 3.27Å; C7-V11 WeakPolarHBondContact O-CG2 3.5Å; C7-V11 PolarHBondContact O-N 3.2Å
8M43.1Very low52.4Low92 Ų92100.8 Ų100.845%0.45355%0.545SS..Hα-helixtrans-61-42.4174.2-84.8-126-158.800113.1E4 V11 C12E4-M8 WeakPolarHBondContact O-CB 3.5Å; E4-M8 PolarHBondContact O-N 3.2Å; M8-V11 PolarHBondContact O-N 3.38Å; M8-C12 WeakPolarHBondContact O-CB 3.3Å; M8-C12 PolarHBondContact O-N 3.48Å; M8-C12 PolarHBondContact O-SG 3.39Å
9R47.7Very low53.8Low192 Ų19297.7 Ų97.773%0.72553%0.527SS*.Hα-helixtrans-64.3-40.7175-85-176173.8-177.8-1112L5 M6 C7 A13L5-R9 WeakPolarHBondContact O-CB 3.18Å; L5-R9 WeakPolarHBondContact O-CG 3.33Å; L5-R9 PolarHBondContact O-N 3.18Å; M6-R9 PolarHBondContact O-N 3.25Å; C7-R9 PolarHBondContact O-N 3.36Å; R9-A13 VanDerWaalsContact O-CB 3.22Å; R9-A13 WeakPolarHBondContact O-CB 3.47Å; R9-A13 PolarHBondContact O-N 3.41Å
10R50.7Low55.3Low188 Ų18898.1 Ų98.171%0.70953%0.528SS*.Hα-helixtrans-66.3-40.5176.3-77.8179.6179.8-1730.3112.3M6 C7 C14M6-R10 WeakPolarHBondContact O-CB 3.3Å; M6-R10 VanDerWaalsContact O-CG 3.32Å; M6-R10 WeakPolarHBondContact O-CG 3.25Å; M6-R10 PolarHBondContact O-N 3.36Å; C7-R10 PolarHBondContact O-N 3.04Å; R10-C14 VanDerWaalsContact O-CB 3.26Å; R10-C14 WeakPolarHBondContact O-CB 3.49Å; R10-C14 PolarHBondContact O-N 3.45Å
11V54.9Low56.8Low85 Ų8597.4 Ų97.452%0.51552%0.523SS..Hα-helixtrans-67-45.7176.3173.20000110.8C7 M8 A13 C14 V15C7-V11 VanDerWaalsContact O-CG2 3.27Å; C7-V11 WeakPolarHBondContact O-CG2 3.5Å; C7-V11 PolarHBondContact O-N 3.2Å; M8-V11 PolarHBondContact O-N 3.38Å; V11-A13 PolarHBondContact O-N 3.05Å; V11-C14 PolarHBondContact O-N 2.89Å; V11-V15 WeakPolarHBondContact O-CG2 3.5Å; V11-V15 PolarHBondContact O-N 3.15Å
12C53.6Low58.8Low50 Ų5088.4 Ų88.434%0.33848%0.479SS..Hα-helixtrans-63.7-41.2176.1-67.20000112.3M8 V15 C16M8-C12 WeakPolarHBondContact O-CB 3.3Å; M8-C12 PolarHBondContact O-N 3.48Å; M8-C12 PolarHBondContact O-SG 3.39Å; C12-V15 PolarHBondContact O-N 3.06Å; C12-C16 WeakPolarHBondContact O-CB 3.23Å; C12-C16 PolarHBondContact O-N 3.25Å; C12-C16 PolarHBondContact O-SG 2.68Å
13A59.2Low61.1Low54 Ų5487.2 Ų87.245%0.44646%0.462SS..Hα-helixtrans-62.7-41.2174.500000111.7R9 V11 C16 V17R9-A13 VanDerWaalsContact O-CB 3.22Å; R9-A13 WeakPolarHBondContact O-CB 3.47Å; R9-A13 PolarHBondContact O-N 3.41Å; V11-A13 PolarHBondContact O-N 3.05Å; A13-C16 PolarHBondContact O-N 3.42Å; A13-V17 WeakPolarHBondContact O-CB 3.35Å; A13-V17 WeakPolarHBondContact O-CG2 3.39Å; A13-V17 PolarHBondContact O-N 2.94Å
14C61.7Low63.5Low59 Ų5987.2 Ų87.240%0.39945%0.453SS..Hα-helixtrans-64-41.2177.2-171.40000112.5R10 V11 V17 R18R10-C14 VanDerWaalsContact O-CB 3.26Å; R10-C14 WeakPolarHBondContact O-CB 3.49Å; R10-C14 PolarHBondContact O-N 3.45Å; V11-C14 PolarHBondContact O-N 2.89Å; C14-V17 PolarHBondContact O-N 2.69Å; C14-R18 WeakPolarHBondContact O-CG 3.26Å; C14-R18 PolarHBondContact O-N 3Å
15V65.6Low65.9Low63 Ų6383.4 Ų83.438%0.38244%0.436SS..Hα-helixtrans-67-44.1176.4174.30000111.4V11 C12 V17 R18 Q19V11-V15 WeakPolarHBondContact O-CG2 3.5Å; V11-V15 PolarHBondContact O-N 3.15Å; C12-V15 PolarHBondContact O-N 3.06Å; V15-V17 PolarHBondContact O-N 2.67Å; V15-R18 PolarHBondContact O-N 2.92Å; V15-Q19 WeakPolarHBondContact O-CG 3.25Å; V15-Q19 PolarHBondContact O-N 3.02Å
16C68.2Low68.1Low65 Ų6579.4 Ų79.444%0.43942%0.415SS..Hα-helixtrans-62.4-42.4176.1-67.70000111.7C12 A13 R18 Q19 I20C12-C16 WeakPolarHBondContact O-CB 3.23Å; C12-C16 PolarHBondContact O-N 3.25Å; C12-C16 PolarHBondContact O-SG 2.68Å; A13-C16 PolarHBondContact O-N 3.42Å; C16-R18 VanDerWaalsContact C-N 3.35Å; C16-R18 PolarHBondContact O-N 3.17Å; C16-Q19 PolarHBondContact O-N 3.45Å; C16-I20 WeakPolarHBondContact O-CB 3.33Å; C16-I20 WeakPolarHBondContact O-CD1 3.49Å; C16-I20 VanDerWaalsContact O-CG1 3.23Å; C16-I20 WeakPolarHBondContact O-CG1 3.42Å; C16-I20 PolarHBondContact O-N 2.9Å
17V77.6Confident70.4Confident94 Ų9480.3 Ų80.357%0.5742%0.416SS*.Hα-helixtrans-61.6-42.1176.6168.60000111.2A13 C14 V15 L21A13-V17 WeakPolarHBondContact O-CB 3.35Å; A13-V17 WeakPolarHBondContact O-CG2 3.39Å; A13-V17 PolarHBondContact O-N 2.94Å; C14-V17 PolarHBondContact O-N 2.69Å; V15-V17 PolarHBondContact O-N 2.67Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.31Å; V17-L21 PolarHBondContact O-N 3.01Å
18R77.1Confident72.7Confident110 Ų11080.7 Ų80.742%0.41542%0.416SS..Hα-helixtrans-64.7-40.2176.5-73.5177.2-176.1-175.54.9112.9C14 V15 C16 L21 A22 L448C14-R18 WeakPolarHBondContact O-CG 3.26Å; C14-R18 PolarHBondContact O-N 3Å; V15-R18 PolarHBondContact O-N 2.92Å; C16-R18 VanDerWaalsContact C-N 3.35Å; C16-R18 PolarHBondContact O-N 3.17Å; R18-L21 PolarHBondContact O-N 3.07Å; R18-A22 WeakPolarHBondContact O-CB 3.15Å; R18-A22 PolarHBondContact O-N 3.45Å; R18-L448 WeakPolarHBondContact CD-O 3.49Å
19Q78.6Confident75Confident42 Ų4276.6 Ų76.620%0.19640%0.396CS..Hα-helixtrans-68.9-42.4177.1-75.2175.3-14.900112.9V15 C16 L21 A22 N23 Y568V15-Q19 WeakPolarHBondContact O-CG 3.25Å; V15-Q19 PolarHBondContact O-N 3.02Å; C16-Q19 PolarHBondContact O-N 3.45Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 2.82Å; Q19-A22 PolarHBondContact O-N 3.36Å; Q19-N23 PolarHBondContact O-N 3.07Å; Q19-N23 PolarHBondContact O-ND2 2.99Å; Q19-Y568 WeakPolarHBondContact CB-OH 3.25Å; Q19-Y568 HydrophobicContact CG-CE2 4.38Å; Q19-Y568 PolarHBondContact O-OH 2.95Å
20I83.8Confident76.8Confident106 Ų10669.1 Ų69.154%0.54438%0.38SS..Hα-helixtrans-60.7-45.5174.3-68.8165.7000109.5C16 A22 N23 V24C16-I20 WeakPolarHBondContact O-CB 3.33Å; C16-I20 WeakPolarHBondContact O-CD1 3.49Å; C16-I20 VanDerWaalsContact O-CG1 3.23Å; C16-I20 WeakPolarHBondContact O-CG1 3.42Å; C16-I20 PolarHBondContact O-N 2.9Å; I20-A22 PolarHBondContact O-N 3.41Å; I20-N23 PolarHBondContact O-N 3.12Å; I20-V24 HydrophobicContact CG2-CG2 4.49Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 3.41Å
21L86.2Confident78.7Confident83 Ų8365.9 Ų65.944%0.43538%0.376SS..Hα-helixtrans-61.1-43.7176.9-174.463.1000111.9V17 R18 Q19 V24 I25 L448V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.31Å; V17-L21 PolarHBondContact O-N 3.01Å; R18-L21 PolarHBondContact O-N 3.07Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 2.82Å; L21-V24 PolarHBondContact O-N 2.86Å; L21-I25 HydrophobicContact CD1-CD1 4.41Å; L21-I25 HydrophobicContact CG-CD1 4.02Å; L21-I25 WeakPolarHBondContact O-CD1 3.45Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.06Å; L21-L448 HydrophobicContact CB-CD1 4.33Å; L21-L448 HydrophobicContact CD2-CD1 3.73Å; L21-L448 HydrophobicContact CD2-CD2 3.9Å; L21-L448 HydrophobicContact CD2-CG 4.5Å; L21-L448 HydrophobicContact CG-CD1 3.8Å
22A84Confident80.4Confident0 Ų066.3 Ų66.30%038%0.375CS..Hα-helixtrans-63.4-41.5176.700000112.6R18 Q19 I20 I25 I26 V449 Y568R18-A22 WeakPolarHBondContact O-CB 3.15Å; R18-A22 PolarHBondContact O-N 3.45Å; Q19-A22 PolarHBondContact O-N 3.36Å; I20-A22 PolarHBondContact O-N 3.41Å; A22-I25 PolarHBondContact O-N 3.44Å; A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 2.97Å; A22-V449 HydrophobicContact CB-CG2 3.33Å; A22-Y568 HydrophobicContact CB-CD1 4.18Å; A22-Y568 HydrophobicContact CB-CE1 3.67Å
23N87.4Confident81.9Confident55 Ų5564.4 Ų64.429%0.29436%0.363SS..Hα-helixtrans-62.3-45.2174.2-72.7-20.3000111.5Q19 I20 I25 I26 F27 Y568Q19-N23 PolarHBondContact O-N 3.07Å; Q19-N23 PolarHBondContact O-ND2 2.99Å; I20-N23 PolarHBondContact O-N 3.12Å; N23-I25 VanDerWaalsContact C-N 3.27Å; N23-I25 PolarHBondContact O-N 3.18Å; N23-I26 PolarHBondContact O-N 3.38Å; N23-F27 HydrophobicContact CB-CD2 4.48Å; N23-F27 HydrophobicContact CB-CE2 4.33Å; N23-F27 WeakPolarHBondContact O-CD2 3.43Å; N23-F27 PolarHBondContact O-N 3.45Å; N23-Y568 VanDerWaalsContact CG-OH 3.31Å; N23-Y568 PolarHBondContact ND2-OH 3.23Å; N23-Y568 WeakPolarHBondContact OD1-CE1 3.39Å; N23-Y568 PolarHBondContact OD1-OH 3.21Å
24V90.1Very high83.2Confident78 Ų7863.9 Ų63.947%0.47336%0.363SS..Hα-helixtrans-57-43175.3169.90000110.7I20 L21 T28I20-V24 HydrophobicContact CG2-CG2 4.49Å; I20-V24 VanDerWaalsContact O-CG2 3.29Å; I20-V24 WeakPolarHBondContact O-CG2 3.4Å; I20-V24 PolarHBondContact O-N 3.41Å; L21-V24 PolarHBondContact O-N 2.86Å; V24-T28 VanDerWaalsContact O-CB 3.23Å; V24-T28 WeakPolarHBondContact O-CB 3.29Å; V24-T28 PolarHBondContact O-N 3.41Å; V24-T28 PolarHBondContact O-OG1 3.31Å
25I89.9Confident84.5Confident33 Ų3363.9 Ų63.917%0.16937%0.367CS..Hα-helixtrans-66.2-43.3178.6-68160.1000111.7L21 A22 N23 T28 C29 C441 V444 V445 L448L21-I25 HydrophobicContact CD1-CD1 4.41Å; L21-I25 HydrophobicContact CG-CD1 4.02Å; L21-I25 WeakPolarHBondContact O-CD1 3.45Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.06Å; A22-I25 PolarHBondContact O-N 3.44Å; N23-I25 VanDerWaalsContact C-N 3.27Å; N23-I25 PolarHBondContact O-N 3.18Å; I25-T28 PolarHBondContact O-N 2.69Å; I25-C29 WeakPolarHBondContact O-CB 3.49Å; I25-C29 PolarHBondContact O-N 2.95Å; I25-C441 HydrophobicContact CG2-CB 4.3Å; I25-V444 HydrophobicContact CD1-CB 4.5Å; I25-V444 HydrophobicContact CD1-CG1 3.53Å; I25-V445 HydrophobicContact CB-CG2 4.28Å; I25-V445 HydrophobicContact CG2-CG2 3.84Å; I25-L448 HydrophobicContact CD1-CD1 3.49Å; I25-L448 VanDerWaalsContact CD1-CD1 3.49Å
26I88.1Confident85.5Confident24 Ų2463.4 Ų63.412%0.12336%0.359CS..Hα-helixtrans-61.9-48.7178-68.5165.3000110.8A22 N23 T28 C29 G30 V445 Y568 Y571 L575A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 2.97Å; N23-I26 PolarHBondContact O-N 3.38Å; I26-T28 VanDerWaalsContact C-N 3.35Å; I26-T28 PolarHBondContact O-N 2.68Å; I26-C29 PolarHBondContact O-N 3.05Å; I26-G30 PolarHBondContact O-N 3.12Å; I26-V445 HydrophobicContact CD1-CG1 4.02Å; I26-V445 HydrophobicContact CD1-CG2 4.24Å; I26-V445 HydrophobicContact CG1-CG1 4.32Å; I26-V445 HydrophobicContact CG1-CG2 3.66Å; I26-Y568 HydrophobicContact CD1-CD1 3.74Å; I26-Y568 HydrophobicContact CD1-CE1 4.06Å; I26-Y571 HydrophobicContact CD1-CD2 3.86Å; I26-Y571 HydrophobicContact CD1-CG 4.26Å; I26-L575 HydrophobicContact CG1-CD1 4.38Å
27F89.7Confident86.2Confident139 Ų13961.7 Ų61.761%0.6134%0.344SS*.Hα-helixtrans-63.7-41.6178.1-71.6-58.7000111.7N23 N31N23-F27 HydrophobicContact CB-CD2 4.48Å; N23-F27 HydrophobicContact CB-CE2 4.33Å; N23-F27 WeakPolarHBondContact O-CD2 3.43Å; N23-F27 PolarHBondContact O-N 3.45Å; F27-N31 WeakPolarHBondContact O-CB 3.29Å; F27-N31 PolarHBondContact O-N 2.94Å; F27-N31 PolarHBondContact O-ND2 2.98Å
28T90.6Very high86.5Confident82 Ų8264.9 Ų64.950%0.50335%0.351SS..Hα-helixtrans-64.4-42.8177.3-55.90000110.9V24 I25 I26 L32V24-T28 VanDerWaalsContact O-CB 3.23Å; V24-T28 WeakPolarHBondContact O-CB 3.29Å; V24-T28 PolarHBondContact O-N 3.41Å; V24-T28 PolarHBondContact O-OG1 3.31Å; I25-T28 PolarHBondContact O-N 2.69Å; I26-T28 VanDerWaalsContact C-N 3.35Å; I26-T28 PolarHBondContact O-N 2.68Å; T28-L32 WeakPolarHBondContact O-CB 3.11Å; T28-L32 PolarHBondContact O-N 3.17Å
29C89.9Confident86.9Confident6 Ų664.8 Ų64.84%0.04136%0.355CS..Hα-helixtrans-61-50.1177.5-177.30000111.8I25 I26 N31 L32 A33 C441I25-C29 WeakPolarHBondContact O-CB 3.49Å; I25-C29 PolarHBondContact O-N 2.95Å; I26-C29 PolarHBondContact O-N 3.05Å; C29-N31 PolarHBondContact O-N 3.35Å; C29-L32 PolarHBondContact O-N 3.08Å; C29-A33 VanDerWaalsContact O-CB 3.3Å; C29-A33 WeakPolarHBondContact O-CB 3.48Å; C29-A33 PolarHBondContact O-N 3.26Å; C29-C441 HydrophobicContact CB-CB 3.75Å; C29-C441 VanDerWaalsContact CB-SG 3.6Å; C29-C441 WeakPolarHBondContact SG-CB 3.28Å; C29-C441 PolarHBondContact SG-SG 2.95Å
30G87.1Confident87Confident36 Ų3663.5 Ų63.537%0.37135%0.349SS..Hα-helixtrans-61.1-44.6179.300000112.7I26 G34I26-G30 PolarHBondContact O-N 3.12Å; G30-G34 PolarHBondContact O-N 2.78Å
31N90.3Very high86.8Confident119 Ų11960.8 Ų60.864%0.63634%0.335SS*.Hα-helixtrans-65.4-42176.6-78.7-71000112.1F27 C29 G34 A35F27-N31 WeakPolarHBondContact O-CB 3.29Å; F27-N31 PolarHBondContact O-N 2.94Å; F27-N31 PolarHBondContact O-ND2 2.98Å; C29-N31 PolarHBondContact O-N 3.35Å; N31-G34 PolarHBondContact O-N 3.02Å; N31-A35 VanDerWaalsContact O-CB 3.24Å; N31-A35 WeakPolarHBondContact O-CB 3.47Å; N31-A35 PolarHBondContact O-N 2.93Å
32L89Confident86.6Confident95 Ų9559.6 Ų59.650%0.49733%0.329SS..Hα-helixtrans-66.6-44178.6-17367.1000111.4T28 C29 A35 Y36T28-L32 WeakPolarHBondContact O-CB 3.11Å; T28-L32 PolarHBondContact O-N 3.17Å; C29-L32 PolarHBondContact O-N 3.08Å; L32-A35 PolarHBondContact O-N 3.34Å; L32-Y36 WeakPolarHBondContact O-CB 3.4Å; L32-Y36 PolarHBondContact O-N 3.35Å
33A86.4Confident86.5Confident10 Ų1063.8 Ų63.88%0.08335%0.35CS..Hα-helixtrans-62.5-43.2176.100000111.6C29 Y36 H37 I438C29-A33 VanDerWaalsContact O-CB 3.3Å; C29-A33 WeakPolarHBondContact O-CB 3.48Å; C29-A33 PolarHBondContact O-N 3.26Å; A33-Y36 PolarHBondContact O-N 2.95Å; A33-H37 WeakPolarHBondContact O-CB 3.48Å; A33-H37 PolarHBondContact O-N 2.59Å; A33-I438 HydrophobicContact CB-CD1 4.21Å; A33-I438 HydrophobicContact CB-CG1 4.37Å
34G86.9Confident85.9Confident43 Ų4362.5 Ų62.544%0.44335%0.347SS..Hα-helixtrans-64.7-45.5175.300000113.1G30 N31 Y36 H37 K38G30-G34 PolarHBondContact O-N 2.78Å; N31-G34 PolarHBondContact O-N 3.02Å; G34-Y36 VanDerWaalsContact C-N 3.32Å; G34-Y36 PolarHBondContact O-N 2.98Å; G34-H37 PolarHBondContact O-N 3.22Å; G34-K38 WeakPolarHBondContact O-CB 3.28Å; G34-K38 PolarHBondContact O-N 3.09Å
35A88.4Confident85.2Confident59 Ų5964.3 Ų64.349%0.48835%0.354SS..Hα-helixtrans-61.9-41.2175.800000111.6N31 L32 K38 H39N31-A35 VanDerWaalsContact O-CB 3.24Å; N31-A35 WeakPolarHBondContact O-CB 3.47Å; N31-A35 PolarHBondContact O-N 2.93Å; L32-A35 PolarHBondContact O-N 3.34Å; A35-K38 PolarHBondContact O-N 3.45Å; A35-H39 WeakPolarHBondContact O-CB 3.41Å; A35-H39 PolarHBondContact O-N 2.87Å
36Y86.1Confident84.8Confident53 Ų5370 Ų7021%0.20837%0.373CS..Hα-helixtrans-65.2-45176.7-165.9-98.8000112L32 A33 G34 H39 L40 Y430 C434L32-Y36 WeakPolarHBondContact O-CB 3.4Å; L32-Y36 PolarHBondContact O-N 3.35Å; A33-Y36 PolarHBondContact O-N 2.95Å; G34-Y36 VanDerWaalsContact C-N 3.32Å; G34-Y36 PolarHBondContact O-N 2.98Å; Y36-H39 PolarHBondContact O-N 3.31Å; Y36-L40 HydrophobicContact CD1-CD1 3.58Å; Y36-L40 HydrophobicContact CD1-CG 4.22Å; Y36-L40 HydrophobicContact CE1-CD1 3.23Å; Y36-L40 HydrophobicContact CE1-CG 4.04Å; Y36-L40 WeakPolarHBondContact O-CG 3.33Å; Y36-L40 PolarHBondContact O-N 3.03Å; Y36-Y430 WeakPolarHBondContact CE1-O 3.43Å; Y36-Y430 WeakPolarHBondContact OH-CA 3.41Å; Y36-Y430 WeakPolarHBondContact OH-CB 3.21Å; Y36-Y430 PolarHBondContact OH-O 3.31Å; Y36-C434 HydrophobicContact CD1-CB 3.39Å; Y36-C434 HydrophobicContact CE1-CB 3.33Å; Y36-C434 HydrophobicContact CG-CB 4.27Å
37H82.4Confident84.3Confident29 Ų2973.7 Ų73.713%0.13439%0.39CS..Hα-helixtrans-60.5-46.4175.5-17287.7000111.6A33 G34 H39 L40 M41 S581 L584 N658A33-H37 WeakPolarHBondContact O-CB 3.48Å; A33-H37 PolarHBondContact O-N 2.59Å; G34-H37 PolarHBondContact O-N 3.22Å; H37-H39 PolarHBondContact O-N 3.12Å; H37-L40 PolarHBondContact O-N 3.4Å; H37-M41 WeakPolarHBondContact O-CB 3.22Å; H37-M41 WeakPolarHBondContact O-CG 3.15Å; H37-M41 PolarHBondContact O-N 3.24Å; H37-S581 PolarHBondContact CE1-O 3.33Å; H37-L584 WeakPolarHBondContact CE1-CD2 3.2Å; H37-N658 PolarHBondContact NE2-ND2 3.03Å
38K85Confident83.4Confident161 Ų16168.8 Ų68.870%0.737%0.371SS*.Hα-helixtrans-60.5-44.2175.3-177.7177.6179.8177.80111.8G34 A35 M41 D42G34-K38 WeakPolarHBondContact O-CB 3.28Å; G34-K38 PolarHBondContact O-N 3.09Å; A35-K38 PolarHBondContact O-N 3.45Å; K38-M41 PolarHBondContact O-N 3.36Å; K38-D42 WeakPolarHBondContact O-CB 3.5Å; K38-D42 PolarHBondContact O-N 3.02Å
39H85.1Confident82.6Confident108 Ų10871.8 Ų71.850%0.537%0.374SS..Hα-helixtrans-62.1-45.7178.6-178.863.1000111.6A35 Y36 H37 M41 D42 L43A35-H39 WeakPolarHBondContact O-CB 3.41Å; A35-H39 PolarHBondContact O-N 2.87Å; Y36-H39 PolarHBondContact O-N 3.31Å; H37-H39 PolarHBondContact O-N 3.12Å; H39-M41 VanDerWaalsContact C-N 3.34Å; H39-M41 PolarHBondContact O-N 3.06Å; H39-D42 PolarHBondContact O-N 2.97Å; H39-L43 WeakPolarHBondContact O-CB 3.46Å; H39-L43 PolarHBondContact O-N 3.19Å
40L81.3Confident82.1Confident15 Ų1577.3 Ų77.38%0.07940%0.4CS..Hα-helixtrans-65.1-36.4177.4-71.7178.1000112.8Y36 H37 A44 Y431 L584Y36-L40 HydrophobicContact CD1-CD1 3.58Å; Y36-L40 HydrophobicContact CD1-CG 4.22Å; Y36-L40 HydrophobicContact CE1-CD1 3.23Å; Y36-L40 HydrophobicContact CE1-CG 4.04Å; Y36-L40 WeakPolarHBondContact O-CG 3.33Å; Y36-L40 PolarHBondContact O-N 3.03Å; H37-L40 PolarHBondContact O-N 3.4Å; L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 2.96Å; L40-Y431 HydrophobicContact CB-CE1 4.42Å; L40-Y431 HydrophobicContact CD1-CD1 3.67Å; L40-Y431 HydrophobicContact CD1-CE1 3.59Å; L40-L584 HydrophobicContact CB-CD1 4.35Å
41M78.9Confident81.3Confident49 Ų4978.5 Ų78.524%0.24140%0.397CS..Hα-helixtrans-68.2-42.1174-72-74.27800113H37 K38 H39 L43 A44 L45 L584H37-M41 WeakPolarHBondContact O-CB 3.22Å; H37-M41 WeakPolarHBondContact O-CG 3.15Å; H37-M41 PolarHBondContact O-N 3.24Å; K38-M41 PolarHBondContact O-N 3.36Å; H39-M41 VanDerWaalsContact C-N 3.34Å; H39-M41 PolarHBondContact O-N 3.06Å; M41-L43 VanDerWaalsContact C-N 3.33Å; M41-L43 PolarHBondContact O-N 2.98Å; M41-A44 HydrophobicContact CE-CB 4.05Å; M41-A44 PolarHBondContact O-N 3.13Å; M41-L45 VanDerWaalsContact O-CB 3.31Å; M41-L45 WeakPolarHBondContact O-CB 3.39Å; M41-L45 PolarHBondContact O-N 3.45Å; M41-L584 HydrophobicContact CE-CB 4.14Å; M41-L584 HydrophobicContact CE-CD1 3.14Å; M41-L584 HydrophobicContact CE-CD2 3.64Å; M41-L584 HydrophobicContact CE-CG 3.77Å; M41-L584 HydrophobicContact CG-CD1 4.1Å; M41-L584 HydrophobicContact CG-CD2 4.19Å; M41-L584 HydrophobicContact SD-CD1 3.9Å; M41-L584 HydrophobicContact SD-CD2 3.44Å; M41-L584 WeakPolarHBondContact SD-CD2 3.32Å; M41-L584 HydrophobicContact SD-CG 4.22Å
42D81.9Confident80.5Confident58 Ų5874.4 Ų74.431%0.3138%0.377SS..Hα-helixtrans-63.6-40174.6-175.737000111.2K38 H39 L45 R46K38-D42 WeakPolarHBondContact O-CB 3.5Å; K38-D42 PolarHBondContact O-N 3.02Å; H39-D42 PolarHBondContact O-N 2.97Å; D42-L45 PolarHBondContact O-N 3.41Å; D42-R46 WeakPolarHBondContact O-CB 3.38Å; D42-R46 VanDerWaalsContact O-CG 3.28Å; D42-R46 WeakPolarHBondContact O-CG 3.46Å; D42-R46 PolarHBondContact O-N 2.85Å; D42-R46 IonicContact OD1-CZ 3.06Å; D42-R46 IonicContact OD1-NE 2.86Å; D42-R46 PolarHBondContact OD1-NE 3.24Å; D42-R46 IonicContact OD1-NH2 3.91Å; D42-R46 IonicContact OD2-CZ 2.76Å; D42-R46 IonicContact OD2-NE 3.7Å; D42-R46 PolarHBondContact OD2-NE 3.16Å; D42-R46 VanDerWaalsContact OD2-NE 3.08Å; D42-R46 IonicContact OD2-NH2 3.08Å; D42-R46 PolarHBondContact OD2-NH2 3.31Å
43L81.6Confident79.8Confident87 Ų8771 Ų7146%0.45536%0.361SS..Hα-helixtrans-63.9-44.2176.5-137.5156.6000111.5H39 M41 Q47H39-L43 WeakPolarHBondContact O-CB 3.46Å; H39-L43 PolarHBondContact O-N 3.19Å; M41-L43 VanDerWaalsContact C-N 3.33Å; M41-L43 PolarHBondContact O-N 2.98Å; L43-Q47 WeakPolarHBondContact O-CB 3.21Å; L43-Q47 PolarHBondContact O-N 3.06Å
44A74.4Confident79.4Confident28 Ų2875.3 Ų75.323%0.23138%0.382CS..Hα-helixtrans-62.5-43.8173.900000111.7L40 M41 Q47 T48L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 2.96Å; M41-A44 HydrophobicContact CE-CB 4.05Å; M41-A44 PolarHBondContact O-N 3.13Å; A44-Q47 PolarHBondContact O-N 3.44Å; A44-T48 WeakPolarHBondContact O-CB 3.48Å; A44-T48 PolarHBondContact O-N 3.44Å; A44-T48 PolarHBondContact O-OG1 2.76Å
45L75.9Confident78.6Confident116 Ų11674.9 Ų74.961%0.60737%0.372SS*.Hα-helixtrans-64.8-43.9179.6-174.669.2000112.2M41 D42 Q47 T48 Y49M41-L45 VanDerWaalsContact O-CB 3.31Å; M41-L45 WeakPolarHBondContact O-CB 3.39Å; M41-L45 PolarHBondContact O-N 3.45Å; D42-L45 PolarHBondContact O-N 3.41Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-T48 PolarHBondContact O-N 3Å; L45-Y49 WeakPolarHBondContact O-CB 3.48Å; L45-Y49 PolarHBondContact O-N 3.49Å
46R80.8Confident77.9Confident154 Ų15472.2 Ų72.258%0.58135%0.35SS*.Hα-helixtrans-63.3-41176.5-72.6177.5-167.1-160.46111.8D42 Y49 Q50D42-R46 WeakPolarHBondContact O-CB 3.38Å; D42-R46 VanDerWaalsContact O-CG 3.28Å; D42-R46 WeakPolarHBondContact O-CG 3.46Å; D42-R46 PolarHBondContact O-N 2.85Å; D42-R46 IonicContact OD1-CZ 3.06Å; D42-R46 IonicContact OD1-NE 2.86Å; D42-R46 PolarHBondContact OD1-NE 3.24Å; D42-R46 IonicContact OD1-NH2 3.91Å; D42-R46 IonicContact OD2-CZ 2.76Å; D42-R46 IonicContact OD2-NE 3.7Å; D42-R46 PolarHBondContact OD2-NE 3.16Å; D42-R46 VanDerWaalsContact OD2-NE 3.08Å; D42-R46 IonicContact OD2-NH2 3.08Å; D42-R46 PolarHBondContact OD2-NH2 3.31Å; R46-Y49 PolarHBondContact O-N 2.8Å; R46-Q50 WeakPolarHBondContact O-CG 3.27Å; R46-Q50 PolarHBondContact O-N 2.85Å
47Q78Confident77.5Confident100 Ų10075.3 Ų75.347%0.46736%0.364SS..Hα-helixtrans-63.4-49175.2-175.7173.4-1.100110.6L43 A44 L45 Y49 Q50 D51L43-Q47 WeakPolarHBondContact O-CB 3.21Å; L43-Q47 PolarHBondContact O-N 3.06Å; A44-Q47 PolarHBondContact O-N 3.44Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-Y49 VanDerWaalsContact C-N 3.28Å; Q47-Y49 PolarHBondContact O-N 2.74Å; Q47-Q50 PolarHBondContact O-N 3.46Å; Q47-D51 WeakPolarHBondContact O-CB 3.46Å; Q47-D51 VanDerWaalsContact O-CG 3.27Å; Q47-D51 PolarHBondContact O-N 3.25Å
48T70.5Confident77.3Confident36 Ų3676.5 Ų76.522%0.22138%0.376CS..Hα-helixtrans-54.9-42.9173.3-74.70000111.9A44 L45 D51 T52 D665A44-T48 WeakPolarHBondContact O-CB 3.48Å; A44-T48 PolarHBondContact O-N 3.44Å; A44-T48 PolarHBondContact O-OG1 2.76Å; L45-T48 PolarHBondContact O-N 3Å; T48-D51 PolarHBondContact O-N 3.2Å; T48-T52 WeakPolarHBondContact O-CB 3.43Å; T48-T52 PolarHBondContact O-N 2.93Å; T48-T52 PolarHBondContact O-OG1 3.01Å; T48-D665 WeakPolarHBondContact CB-OD1 3.26Å; T48-D665 HydrophobicContact CG2-CB 4.48Å; T48-D665 WeakPolarHBondContact CG2-OD1 3.17Å; T48-D665 PolarHBondContact OG1-OD1 2.75Å
49Y75.3Confident76.9Confident145 Ų14569.3 Ų69.357%0.56935%0.346SS*.Hα-helixtrans-63.8-47.1178.4176.8-97.9000112L45 R46 Q47 T52 C53L45-Y49 WeakPolarHBondContact O-CB 3.48Å; L45-Y49 PolarHBondContact O-N 3.49Å; R46-Y49 PolarHBondContact O-N 2.8Å; Q47-Y49 VanDerWaalsContact C-N 3.28Å; Q47-Y49 PolarHBondContact O-N 2.74Å; Y49-T52 PolarHBondContact O-N 3.24Å; Y49-C53 VanDerWaalsContact CZ-SG 3.58Å; Y49-C53 WeakPolarHBondContact O-CB 3.35Å; Y49-C53 PolarHBondContact O-N 2.81Å; Y49-C53 PolarHBondContact O-SG 3.47Å; Y49-C53 VanDerWaalsContact O-SG 3.33Å
50Q78.3Confident76.5Confident123 Ų12365.1 Ų65.158%0.57533%0.327SS*.Hα-helixtrans-62.9-45.2177.1-73.4178.9-7.800111.7R46 Q47 T52 C53 N54R46-Q50 WeakPolarHBondContact O-CG 3.27Å; R46-Q50 PolarHBondContact O-N 2.85Å; Q47-Q50 PolarHBondContact O-N 3.46Å; Q50-T52 VanDerWaalsContact C-N 3.34Å; Q50-T52 PolarHBondContact O-N 3.49Å; Q50-C53 PolarHBondContact O-N 3.4Å; Q50-N54 WeakPolarHBondContact O-CB 3.25Å; Q50-N54 VanDerWaalsContact O-CG 3.26Å; Q50-N54 PolarHBondContact O-N 2.78Å; Q50-N54 PolarHBondContact O-ND2 3.43Å
51D71.9Confident76.3Confident60 Ų6069.2 Ų69.232%0.32134%0.344SS..Hα-helixtrans-61.9-43.8177.3-70.6-15.3000110.2Q47 T48 N54 C55Q47-D51 WeakPolarHBondContact O-CB 3.46Å; Q47-D51 VanDerWaalsContact O-CG 3.27Å; Q47-D51 PolarHBondContact O-N 3.25Å; T48-D51 PolarHBondContact O-N 3.2Å; D51-N54 PolarHBondContact O-N 3.03Å; D51-C55 WeakPolarHBondContact O-CB 3.42Å; D51-C55 PolarHBondContact O-N 3.32Å; D51-C55 PolarHBondContact O-SG 3.45Å
52T71.9Confident76.2Confident34 Ų3468.2 Ų68.221%0.20934%0.339CS..Hα-helixtrans-62-46.9175.9-59.10000111.5T48 Y49 Q50 N54 C55 I56T48-T52 WeakPolarHBondContact O-CB 3.43Å; T48-T52 PolarHBondContact O-N 2.93Å; T48-T52 PolarHBondContact O-OG1 3.01Å; Y49-T52 PolarHBondContact O-N 3.24Å; Q50-T52 VanDerWaalsContact C-N 3.34Å; Q50-T52 PolarHBondContact O-N 3.49Å; T52-N54 VanDerWaalsContact C-N 3.32Å; T52-N54 PolarHBondContact O-N 2.84Å; T52-C55 CarbonylContact O-C 3.5Å; T52-C55 PolarHBondContact O-N 2.93Å; T52-I56 HydrophobicContact CG2-CD1 3.72Å; T52-I56 HydrophobicContact CG2-CG1 4.34Å; T52-I56 WeakPolarHBondContact O-CB 3.36Å; T52-I56 VanDerWaalsContact O-CG1 3.27Å; T52-I56 WeakPolarHBondContact O-CG1 3.21Å; T52-I56 PolarHBondContact O-N 3.15Å
53C75.7Confident75.9Confident22 Ų2269.6 Ų69.615%0.14934%0.344CS..Hα-helixtrans-59.4-42.8176-760000111.8Y49 Q50 I56 K57Y49-C53 VanDerWaalsContact CZ-SG 3.58Å; Y49-C53 WeakPolarHBondContact O-CB 3.35Å; Y49-C53 PolarHBondContact O-N 2.81Å; Y49-C53 PolarHBondContact O-SG 3.47Å; Y49-C53 VanDerWaalsContact O-SG 3.33Å; Q50-C53 PolarHBondContact O-N 3.4Å; C53-I56 PolarHBondContact O-N 3.34Å; C53-K57 WeakPolarHBondContact O-CB 3.22Å; C53-K57 PolarHBondContact O-N 3.38Å
54N77.4Confident75.5Confident101 Ų10169.4 Ų69.454%0.5434%0.34SS..Hα-helixtrans-66.6-42.9176-70.1-27.5000111.6Q50 D51 T52 I56 K57 S58Q50-N54 WeakPolarHBondContact O-CB 3.25Å; Q50-N54 VanDerWaalsContact O-CG 3.26Å; Q50-N54 PolarHBondContact O-N 2.78Å; Q50-N54 PolarHBondContact O-ND2 3.43Å; D51-N54 PolarHBondContact O-N 3.03Å; T52-N54 VanDerWaalsContact C-N 3.32Å; T52-N54 PolarHBondContact O-N 2.84Å; N54-I56 VanDerWaalsContact C-N 3.29Å; N54-I56 PolarHBondContact O-N 2.93Å; N54-K57 PolarHBondContact O-N 3.48Å; N54-S58 WeakPolarHBondContact O-CB 3.37Å; N54-S58 PolarHBondContact O-N 2.88Å
55C70.2Confident75.4Confident34 Ų3470.8 Ų70.823%0.2334%0.341CS..Hα-helixtrans-66.4-24.2176.3-75.50000113.5D51 T52 P59 F672D51-C55 WeakPolarHBondContact O-CB 3.42Å; D51-C55 PolarHBondContact O-N 3.32Å; D51-C55 PolarHBondContact O-SG 3.45Å; T52-C55 CarbonylContact O-C 3.5Å; T52-C55 PolarHBondContact O-N 2.93Å; C55-P59 WeakPolarHBondContact O-CD 3.44Å; C55-P59 WeakPolarHBondContact O-CG 3.46Å; C55-F672 HydrophobicContact CB-CB 3.96Å; C55-F672 HydrophobicContact CB-CD2 4.2Å; C55-F672 HydrophobicContact CB-CG 4.19Å
56I73.4Confident75.4Confident4 Ų467.8 Ų67.82%0.02132%0.324CS..Hα-helixtrans-86.2-41.6172.8-68.2168.2000110.5T52 C53 N54 S58 P59 I60 M385 T388 I389 I392 F672T52-I56 HydrophobicContact CG2-CD1 3.72Å; T52-I56 HydrophobicContact CG2-CG1 4.34Å; T52-I56 WeakPolarHBondContact O-CB 3.36Å; T52-I56 VanDerWaalsContact O-CG1 3.27Å; T52-I56 WeakPolarHBondContact O-CG1 3.21Å; T52-I56 PolarHBondContact O-N 3.15Å; C53-I56 PolarHBondContact O-N 3.34Å; N54-I56 VanDerWaalsContact C-N 3.29Å; N54-I56 PolarHBondContact O-N 2.93Å; I56-S58 PolarHBondContact O-N 2.74Å; I56-P59 WeakPolarHBondContact O-CD 3.47Å; I56-I60 HydrophobicContact CG2-CD1 3.79Å; I56-I60 WeakPolarHBondContact O-CD1 3.25Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.1Å; I56-I60 PolarHBondContact O-N 3.04Å; I56-M385 HydrophobicContact CG2-CB 4.27Å; I56-M385 HydrophobicContact CG2-CG 3.93Å; I56-T388 HydrophobicContact CD1-CG2 4.06Å; I56-T388 HydrophobicContact CG1-CG2 4.29Å; I56-I389 HydrophobicContact CD1-CG1 4Å; I56-I392 HydrophobicContact CD1-CD1 4.4Å; I56-F672 HydrophobicContact CD1-CZ 4.3Å; I56-F672 HydrophobicContact CG1-CE1 3.97Å; I56-F672 HydrophobicContact CG1-CE2 4.18Å; I56-F672 HydrophobicContact CG1-CZ 3.7Å
57K78.6Confident75Confident117 Ų11766.4 Ų66.451%0.50932%0.323SS..Hα-helixtrans-65.3-38.8-178.1-175.1178.4-178.6178.50112.5C53 N54 K61C53-K57 WeakPolarHBondContact O-CB 3.22Å; C53-K57 PolarHBondContact O-N 3.38Å; N54-K57 PolarHBondContact O-N 3.48Å; K57-K61 WeakPolarHBondContact O-CB 3.45Å; K57-K61 PolarHBondContact O-N 3.32Å; K57-K61 VanDerWaalsContact O-N 3.08Å
58S77.7Confident74.6Confident54 Ų5464.6 Ų64.638%0.37832%0.315SS..Hα-helixtrans-64.1-53-177.7-170.90000112.9N54 I56 I60 K61 L62N54-S58 WeakPolarHBondContact O-CB 3.37Å; N54-S58 PolarHBondContact O-N 2.88Å; I56-S58 PolarHBondContact O-N 2.74Å; S58-I60 VanDerWaalsContact C-N 3.34Å; S58-I60 PolarHBondContact O-N 3.34Å; S58-K61 PolarHBondContact O-N 3.07Å; S58-L62 WeakPolarHBondContact O-CB 3.33Å; S58-L62 WeakPolarHBondContact O-CG 3.38Å; S58-L62 PolarHBondContact O-N 3.49Å
59P77.1Confident74.6Confident11 Ų1164.1 Ų64.17%0.07131%0.31CS..Hα-helixtrans-54.9-45.3174.5-2124.8000113C55 I56 K61 L62 E63 C676 I679C55-P59 WeakPolarHBondContact O-CD 3.44Å; C55-P59 WeakPolarHBondContact O-CG 3.46Å; I56-P59 WeakPolarHBondContact O-CD 3.47Å; P59-K61 VanDerWaalsContact C-N 3.31Å; P59-K61 PolarHBondContact O-N 3.01Å; P59-L62 CarbonylContact O-C 3.53Å; P59-L62 PolarHBondContact O-N 2.99Å; P59-E63 WeakPolarHBondContact O-CB 3.37Å; P59-E63 PolarHBondContact O-N 3.41Å; P59-C676 VanDerWaalsContact CD-SG 3.57Å; P59-C676 VanDerWaalsContact CG-SG 3.53Å; P59-I679 HydrophobicContact CB-CD1 3.84Å
60I75.2Confident74.7Confident20 Ų2059.7 Ų59.710%0.10329%0.294CS..Hα-helixtrans-64-40.7-177.9-60167.8000110.7I56 S58 E63 F64 L381 R384I56-I60 HydrophobicContact CG2-CD1 3.79Å; I56-I60 WeakPolarHBondContact O-CD1 3.25Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.1Å; I56-I60 PolarHBondContact O-N 3.04Å; S58-I60 VanDerWaalsContact C-N 3.34Å; S58-I60 PolarHBondContact O-N 3.34Å; I60-E63 PolarHBondContact O-N 3.46Å; I60-F64 PolarHBondContact O-N 3.25Å; I60-F64 VanDerWaalsContact O-N 3.09Å; I60-L381 HydrophobicContact CB-CD1 4.06Å; I60-L381 HydrophobicContact CG2-CD1 3.69Å; I60-L381 HydrophobicContact CG2-CG 4.36Å; I60-R384 HydrophobicContact CD1-CB 4.14Å
61K77.4Confident74.5Confident101 Ų10159.7 Ų59.744%0.43929%0.289SS..Hα-helixtrans-63.7-48.6175.8-176-172.5168.6-159.80111.1K57 S58 P59 E63 F64 E65K57-K61 WeakPolarHBondContact O-CB 3.45Å; K57-K61 PolarHBondContact O-N 3.32Å; K57-K61 VanDerWaalsContact O-N 3.08Å; S58-K61 PolarHBondContact O-N 3.07Å; P59-K61 VanDerWaalsContact C-N 3.31Å; P59-K61 PolarHBondContact O-N 3.01Å; K61-E63 VanDerWaalsContact C-N 3.31Å; K61-E63 PolarHBondContact O-N 2.89Å; K61-F64 WeakPolarHBondContact O-CB 3.48Å; K61-F64 PolarHBondContact O-N 2.68Å; K61-E65 WeakPolarHBondContact CE-OE1 3.47Å; K61-E65 IonicContact NZ-OE1 3.15Å; K61-E65 PolarHBondContact O-N 2.86Å
62L76.4Confident74.5Confident27 Ų2757.3 Ų57.314%0.14128%0.277CS..Hα-helixtrans-64.4-35.5178.7-69.3171.1000111.8S58 P59 F64 E65 K66 I679 E683S58-L62 WeakPolarHBondContact O-CB 3.33Å; S58-L62 WeakPolarHBondContact O-CG 3.38Å; S58-L62 PolarHBondContact O-N 3.49Å; P59-L62 CarbonylContact O-C 3.53Å; P59-L62 PolarHBondContact O-N 2.99Å; L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 2.68Å; L62-E65 PolarHBondContact O-N 3.09Å; L62-K66 VanDerWaalsContact O-CB 3.26Å; L62-K66 WeakPolarHBondContact O-CB 3.49Å; L62-K66 PolarHBondContact O-N 3.29Å; L62-I679 HydrophobicContact CB-CB 4.34Å; L62-I679 HydrophobicContact CB-CG2 3.46Å; L62-I679 VanDerWaalsContact CB-CG2 3.46Å; L62-E683 WeakPolarHBondContact CD2-OE2 3.48Å
63E75.6Confident74.7Confident87 Ų8755.9 Ų55.941%0.40727%0.268SS..Hα-helixtrans-65.1-39.2176.4-170.9-172.8-176.200111P59 I60 K61 H67 R384P59-E63 WeakPolarHBondContact O-CB 3.37Å; P59-E63 PolarHBondContact O-N 3.41Å; I60-E63 PolarHBondContact O-N 3.46Å; K61-E63 VanDerWaalsContact C-N 3.31Å; K61-E63 PolarHBondContact O-N 2.89Å; E63-H67 WeakPolarHBondContact O-CB 3.44Å; E63-H67 PolarHBondContact O-N 3.08Å; E63-R384 IonicContact OE1-NH1 3.81Å; E63-R384 IonicContact OE2-NH1 3.67Å; E63-R384 PolarHBondContact OE2-NH1 3.44Å
64F74.5Confident74.9Confident84 Ų8459 Ų5937%0.36828%0.283SS..Hα-helixtrans-65.3-47.2173.5-177.1-92.2000111.8I60 K61 L62 K66 H67 Q68 F377I60-F64 PolarHBondContact O-N 3.25Å; I60-F64 VanDerWaalsContact O-N 3.09Å; K61-F64 WeakPolarHBondContact O-CB 3.48Å; K61-F64 PolarHBondContact O-N 2.68Å; L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 2.68Å; F64-K66 VanDerWaalsContact C-N 3.34Å; F64-K66 PolarHBondContact O-N 2.94Å; F64-H67 PolarHBondContact O-N 2.84Å; F64-Q68 HydrophobicContact CD1-CG 4.33Å; F64-Q68 VanDerWaalsContact CE1-CD 3.43Å; F64-Q68 HydrophobicContact CE1-CG 3.99Å; F64-Q68 HydrophobicContact CZ-CG 4.38Å; F64-Q68 WeakPolarHBondContact O-CG 3.41Å; F64-Q68 PolarHBondContact O-N 3.37Å; F64-F377 HydrophobicContact CB-CE2 3.83Å; F64-F377 HydrophobicContact CD1-CE2 4.16Å; F64-F377 AromaticContact CD2-CD2 3.74Å; F64-F377 HydrophobicContact CD2-CD2 3.74Å; F64-F377 AromaticContact CD2-CE2 3.79Å; F64-F377 HydrophobicContact CD2-CE2 3.79Å; F64-F377 AromaticContact CE2-CD2 3.94Å; F64-F377 HydrophobicContact CE2-CD2 3.94Å; F64-F377 HydrophobicContact CE2-CE2 4.39Å; F64-F377 HydrophobicContact CG-CD2 4.05Å; F64-F377 AromaticContact CG-CE2 3.65Å; F64-F377 HydrophobicContact CG-CE2 3.65Å; F64-F377 HydrophobicContact CZ-CD2 4.42Å
65E71.6Confident74.7Confident57 Ų5755.6 Ų55.627%0.26627%0.266SS..Hα-helixtrans-60.4-43176-71.9173170.900110.9K61 L62 H67 Q68 Q69K61-E65 WeakPolarHBondContact CE-OE1 3.47Å; K61-E65 IonicContact NZ-OE1 3.15Å; K61-E65 PolarHBondContact O-N 2.86Å; L62-E65 PolarHBondContact O-N 3.09Å; E65-H67 PolarHBondContact O-N 3.42Å; E65-Q68 WeakPolarHBondContact O-CB 3.48Å; E65-Q68 PolarHBondContact O-N 3.21Å; E65-Q69 WeakPolarHBondContact O-CG 3.26Å; E65-Q69 PolarHBondContact O-N 3.26Å
66K75.6Confident74.9Confident53 Ų5354.9 Ų54.923%0.2326%0.26CS..Hα-helixtrans-56.5-49.6171171.3-173.9164.5177.90111.4L62 F64 Q68 Q69 E70 I679 M682L62-K66 VanDerWaalsContact O-CB 3.26Å; L62-K66 WeakPolarHBondContact O-CB 3.49Å; L62-K66 PolarHBondContact O-N 3.29Å; F64-K66 VanDerWaalsContact C-N 3.34Å; F64-K66 PolarHBondContact O-N 2.94Å; K66-Q68 VanDerWaalsContact C-N 3.27Å; K66-Q68 PolarHBondContact O-N 3.47Å; K66-Q69 PolarHBondContact O-N 3.33Å; K66-E70 WeakPolarHBondContact CE-OE1 3.23Å; K66-E70 HydrophobicContact CG-CG 4.35Å; K66-E70 WeakPolarHBondContact O-CG 3.35Å; K66-E70 PolarHBondContact O-N 3.34Å; K66-I679 HydrophobicContact CB-CG2 4.41Å; K66-I679 HydrophobicContact CD-CG2 4.42Å; K66-M682 HydrophobicContact CD-CB 4.3Å; K66-M682 HydrophobicContact CD-CG 3.83Å; K66-M682 HydrophobicContact CG-CG 4.21Å
67H73.4Confident75.2Confident124 Ų12454.9 Ų54.957%0.57426%0.26SS*.Hα-helixtrans-62.9-35.7-178.6-166.372.2000112E63 F64 E65 R71E63-H67 WeakPolarHBondContact O-CB 3.44Å; E63-H67 PolarHBondContact O-N 3.08Å; F64-H67 PolarHBondContact O-N 2.84Å; E65-H67 PolarHBondContact O-N 3.42Å; H67-R71 WeakPolarHBondContact O-CB 3.35Å; H67-R71 PolarHBondContact O-N 3.38Å
68Q69Low75.4Confident62 Ų6249.9 Ų49.929%0.2924%0.239SC..Hα-helixtrans-62.9-48.6172.6-72.2-172.5-43.600111.8F64 E65 K66 E70 R71 L72 L339F64-Q68 HydrophobicContact CD1-CG 4.33Å; F64-Q68 VanDerWaalsContact CE1-CD 3.43Å; F64-Q68 HydrophobicContact CE1-CG 3.99Å; F64-Q68 HydrophobicContact CZ-CG 4.38Å; F64-Q68 WeakPolarHBondContact O-CG 3.41Å; F64-Q68 PolarHBondContact O-N 3.37Å; E65-Q68 WeakPolarHBondContact O-CB 3.48Å; E65-Q68 PolarHBondContact O-N 3.21Å; K66-Q68 VanDerWaalsContact C-N 3.27Å; K66-Q68 PolarHBondContact O-N 3.47Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.4Å; Q68-R71 PolarHBondContact O-N 3.04Å; Q68-L72 WeakPolarHBondContact O-CB 3.4Å; Q68-L72 PolarHBondContact O-N 3.13Å; Q68-L339 HydrophobicContact CB-CD2 3.87Å; Q68-L339 HydrophobicContact CG-CD2 4.34Å
69Q70.9Confident75.6Confident27 Ų2749.6 Ų49.613%0.12624%0.241CC..Hα-helixtrans-63.9-37.9177.4-68.7175.5-10.800112.6E65 K66 L72 L73 E683 N686E65-Q69 WeakPolarHBondContact O-CG 3.26Å; E65-Q69 PolarHBondContact O-N 3.26Å; K66-Q69 PolarHBondContact O-N 3.33Å; Q69-L72 WeakPolarHBondContact O-CB 3.37Å; Q69-L72 PolarHBondContact O-N 2.72Å; Q69-L73 WeakPolarHBondContact O-CB 3.26Å; Q69-L73 PolarHBondContact O-N 2.97Å; Q69-E683 VanDerWaalsContact NE2-CG 3.28Å; Q69-E683 PolarHBondContact OE1-O 2.84Å; Q69-N686 HydrophobicContact CB-CB 3.81Å; Q69-N686 VanDerWaalsContact OE1-CB 3.31Å
70E76Confident75.8Confident51 Ų5150.8 Ų50.824%0.23825%0.245CC..Hα-helixtrans-64.8-44.6175.3-73.7-168.2153.200111.8K66 Q68 L72 L73 L74 K86 N686K66-E70 WeakPolarHBondContact CE-OE1 3.23Å; K66-E70 HydrophobicContact CG-CG 4.35Å; K66-E70 WeakPolarHBondContact O-CG 3.35Å; K66-E70 PolarHBondContact O-N 3.34Å; Q68-E70 VanDerWaalsContact C-N 3.35Å; Q68-E70 PolarHBondContact O-N 3.4Å; E70-L72 PolarHBondContact O-N 3.47Å; E70-L73 PolarHBondContact O-N 3.26Å; E70-L74 WeakPolarHBondContact O-CB 3.33Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 3.12Å; E70-K86 IonicContact OE1-NZ 2.79Å; E70-K86 PolarHBondContact OE1-NZ 2.91Å; E70-N686 WeakPolarHBondContact CG-ND2 3.41Å
71R74.7Confident76.1Confident124 Ų12450 Ų5047%0.46824%0.241SC..Hα-helixtrans-60.8-38.4176.1-173176.6-177.7-169.6-0.2111.5H67 Q68 S75 N338H67-R71 WeakPolarHBondContact O-CB 3.35Å; H67-R71 PolarHBondContact O-N 3.38Å; Q68-R71 PolarHBondContact O-N 3.04Å; R71-S75 PolarHBondContact O-N 3.22Å; R71-N338 PolarHBondContact NH1-O 3.33Å
72L72.6Confident76.4Confident10 Ų1045.4 Ų45.45%0.05222%0.222CC..Hα-helixtrans-65.5-47.1176179.853.4000111.8Q68 Q69 E70 L74 S75 L76 F336 L339 L690 L703Q68-L72 WeakPolarHBondContact O-CB 3.4Å; Q68-L72 PolarHBondContact O-N 3.13Å; Q69-L72 WeakPolarHBondContact O-CB 3.37Å; Q69-L72 PolarHBondContact O-N 2.72Å; E70-L72 PolarHBondContact O-N 3.47Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 3.23Å; L72-S75 WeakPolarHBondContact O-CB 3.49Å; L72-S75 PolarHBondContact O-N 2.97Å; L72-S75 VanDerWaalsContact O-N 3.12Å; L72-S75 PolarHBondContact O-OG 3.4Å; L72-L76 PolarHBondContact O-N 3.39Å; L72-F336 HydrophobicContact CD1-CD1 3.3Å; L72-F336 HydrophobicContact CD1-CE1 3.19Å; L72-F336 HydrophobicContact CD1-CZ 4.45Å; L72-L339 HydrophobicContact CB-CD1 4.3Å; L72-L339 HydrophobicContact CD1-CD1 3.85Å; L72-L339 HydrophobicContact CD2-CD1 4.32Å; L72-L339 HydrophobicContact CG-CD1 4.41Å; L72-L690 HydrophobicContact CD1-CD1 4.36Å; L72-L690 HydrophobicContact CD2-CD1 3.6Å; L72-L690 HydrophobicContact CD2-CD2 3.39Å; L72-L690 HydrophobicContact CD2-CG 4.14Å; L72-L690 HydrophobicContact CG-CD1 3.62Å; L72-L690 HydrophobicContact CG-CD2 4.29Å; L72-L703 HydrophobicContact CD2-CD2 4.33Å
73L76.7Confident76.7Confident4 Ų452 Ų522%0.02125%0.245CC..Hα-helixtrans-58.7-45.2174.6179.466.5000111.9Q69 E70 S75 L76 L77 A82 L689Q69-L73 WeakPolarHBondContact O-CB 3.26Å; Q69-L73 PolarHBondContact O-N 2.97Å; E70-L73 PolarHBondContact O-N 3.26Å; L73-S75 PolarHBondContact O-N 3.42Å; L73-L76 PolarHBondContact O-N 3.08Å; L73-L77 HydrophobicContact CD1-CD1 4.23Å; L73-L77 PolarHBondContact O-N 3.17Å; L73-A82 HydrophobicContact CD2-CB 4.16Å; L73-A82 HydrophobicContact CG-CB 4.3Å; L73-L689 HydrophobicContact CD1-CB 3.89Å; L73-L689 HydrophobicContact CD1-CD1 4.25Å; L73-L689 HydrophobicContact CD2-CD1 3.72Å
74L78.7Confident77Confident88 Ų8851.3 Ų51.346%0.46125%0.247SC..Hα-helixtrans-69.1-18178.7-67.4178.1000113.6E70 L72 L76 L77 A79 A82E70-L74 WeakPolarHBondContact O-CB 3.33Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 3.12Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L74 PolarHBondContact O-N 3.23Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L77 CarbonylContact C-O 3.6Å; L74-L77 WeakPolarHBondContact CA-O 3.47Å; L74-A79 VanDerWaalsContact CD2-CA 3.45Å; L74-A79 HydrophobicContact CD2-CB 3.66Å; L74-A82 HydrophobicContact CD2-CB 4.1Å
75S74.1Confident77.3Confident28 Ų2847.3 Ų47.320%0.19623%0.229CC..Hα-helixtrans-75.6-23.8170.4840000112.1R71 L72 L73 Q848 K849R71-S75 PolarHBondContact O-N 3.22Å; L72-S75 WeakPolarHBondContact O-CB 3.49Å; L72-S75 PolarHBondContact O-N 2.97Å; L72-S75 VanDerWaalsContact O-N 3.12Å; L72-S75 PolarHBondContact O-OG 3.4Å; L73-S75 PolarHBondContact O-N 3.42Å; S75-Q848 WeakPolarHBondContact CB-O 3.18Å; S75-K849 WeakPolarHBondContact O-CA 3.44Å; S75-K849 WeakPolarHBondContact O-CB 3.37Å; S75-K849 VanDerWaalsContact O-CG 3.23Å; S75-K849 WeakPolarHBondContact O-CG 3.37Å
76L74.7Confident77.7Confident20 Ų2045.9 Ų45.911%0.10522%0.222CC..Hα-helixtrans-97.5-37.4-177.6-63.5165.8000111.9L72 L73 L74 L690 V693 P850L72-L76 PolarHBondContact O-N 3.39Å; L73-L76 PolarHBondContact O-N 3.08Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L76-L690 HydrophobicContact CD1-CD1 3.76Å; L76-V693 HydrophobicContact CB-CG1 4.21Å; L76-V693 HydrophobicContact CD1-CB 3.96Å; L76-V693 HydrophobicContact CD1-CG1 3.7Å; L76-V693 HydrophobicContact CD1-CG2 4.3Å; L76-V693 HydrophobicContact CD2-CG1 3.89Å; L76-V693 HydrophobicContact CG-CG1 4.12Å; L76-P850 HydrophobicContact CD2-CG 4.12Å; L76-P850 WeakPolarHBondContact CD2-O 3.46Å
77L79.4Confident78Confident3 Ų346.1 Ų46.12%0.01623%0.234CC..SBendtrans-127.5141.5-176.6-64.1175.2000111.3L73 L74 A82 M85 V224 W230L73-L77 HydrophobicContact CD1-CD1 4.23Å; L73-L77 PolarHBondContact O-N 3.17Å; L74-L77 CarbonylContact C-O 3.6Å; L74-L77 WeakPolarHBondContact CA-O 3.47Å; L77-A82 HydrophobicContact CB-CB 4.47Å; L77-M85 HydrophobicContact CD1-SD 3.91Å; L77-V224 HydrophobicContact CD2-CG2 3.84Å; L77-W230 HydrophobicContact CD1-CE3 4.49Å
78P81.9Confident78.2Confident12 Ų1241.6 Ų41.68%0.07821%0.213CC..  trans-55.7143.8171.1-25.835.5000112.5H80 I81 A82 Y232P78-H80 VanDerWaalsContact C-N 3.27Å; P78-H80 PolarHBondContact O-N 3.35Å; P78-H80 VanDerWaalsContact O-N 3.17Å; P78-I81 HydrophobicContact CB-CG1 4.44Å; P78-I81 PolarHBondContact O-N 3.42Å; P78-I81 VanDerWaalsContact O-N 3.09Å; P78-A82 PolarHBondContact O-N 3.09Å; P78-Y232 HydrophobicContact CG-CD1 3.9Å; P78-Y232 HydrophobicContact CG-CD2 3.68Å; P78-Y232 HydrophobicContact CG-CE1 3.98Å; P78-Y232 HydrophobicContact CG-CE2 3.79Å; P78-Y232 HydrophobicContact CG-CG 3.71Å
79A81.6Confident78.5Confident49 Ų4940.1 Ų40.141%0.40521%0.207SC..Hα-helixtrans-58.7-34.1-172.300000114.5L74 R83L74-A79 VanDerWaalsContact CD2-CA 3.45Å; L74-A79 HydrophobicContact CD2-CB 3.66Å; A79-R83 WeakPolarHBondContact O-CB 3.45Å; A79-R83 PolarHBondContact O-N 3.35Å
80H81.6Confident78.8Confident36 Ų3641 Ų4117%0.16721%0.212CC..Hα-helixtrans-67.8-43.9178.168.2-88.3000111.4P78 R83 V84 Q113P78-H80 VanDerWaalsContact C-N 3.27Å; P78-H80 PolarHBondContact O-N 3.35Å; P78-H80 VanDerWaalsContact O-N 3.17Å; H80-R83 PolarHBondContact O-N 2.74Å; H80-V84 WeakPolarHBondContact O-CG2 3.3Å; H80-V84 PolarHBondContact O-N 2.94Å; H80-Q113 PolarHBondContact NE2-OE1 3.11Å
81I82.5Confident78.8Confident4 Ų445.6 Ų45.62%0.02123%0.233CC..Hα-helixtrans-63.4-49.4176.1-58.6-58.7000110.5P78 R83 V84 M85 V224 Y232P78-I81 HydrophobicContact CB-CG1 4.44Å; P78-I81 PolarHBondContact O-N 3.42Å; P78-I81 VanDerWaalsContact O-N 3.09Å; I81-R83 PolarHBondContact O-N 3.25Å; I81-V84 PolarHBondContact O-N 3.11Å; I81-V84 VanDerWaalsContact O-N 3.16Å; I81-M85 HydrophobicContact CG2-CE 3.53Å; I81-M85 HydrophobicContact CG2-CG 4.24Å; I81-M85 HydrophobicContact CG2-SD 3.68Å; I81-M85 WeakPolarHBondContact O-CG 3.27Å; I81-M85 PolarHBondContact O-N 2.94Å; I81-V224 HydrophobicContact CG2-CG2 4.03Å; I81-Y232 HydrophobicContact CG1-CD2 4.39Å; I81-Y232 HydrophobicContact CG1-CE2 4.38Å
82A83Confident78.6Confident3 Ų347.2 Ų47.23%0.02524%0.239CC..Hα-helixtrans-57.5-37.9179.800000112.1L73 L74 L77 P78 K86L73-A82 HydrophobicContact CD2-CB 4.16Å; L73-A82 HydrophobicContact CG-CB 4.3Å; L74-A82 HydrophobicContact CD2-CB 4.1Å; L77-A82 HydrophobicContact CB-CB 4.47Å; P78-A82 PolarHBondContact O-N 3.09Å; A82-K86 WeakPolarHBondContact O-CB 3.34Å; A82-K86 VanDerWaalsContact O-CG 3.27Å; A82-K86 WeakPolarHBondContact O-CG 3.33Å; A82-K86 PolarHBondContact O-N 3.28Å
83R82.9Confident78.4Confident165 Ų16551.2 Ų51.262%0.62326%0.26SS*.Hα-helixtrans-65.9-46.7176.9-169.1-171.2-51.6123.73.4112.3A79 H80 I81 K86 A87A79-R83 WeakPolarHBondContact O-CB 3.45Å; A79-R83 PolarHBondContact O-N 3.35Å; H80-R83 PolarHBondContact O-N 2.74Å; I81-R83 PolarHBondContact O-N 3.25Å; R83-K86 PolarHBondContact O-N 3.04Å; R83-A87 PolarHBondContact O-N 3.3Å
84V82.5Confident77.9Confident74 Ų7458.6 Ų58.645%0.44829%0.294SS..Hα-helixtrans-62.6-46.5179178.50000110.3H80 I81 K86 A87 E88 Y111H80-V84 WeakPolarHBondContact O-CG2 3.3Å; H80-V84 PolarHBondContact O-N 2.94Å; I81-V84 PolarHBondContact O-N 3.11Å; I81-V84 VanDerWaalsContact O-N 3.16Å; V84-K86 PolarHBondContact O-N 2.84Å; V84-A87 PolarHBondContact O-N 2.88Å; V84-E88 PolarHBondContact O-N 2.87Å; V84-E88 VanDerWaalsContact O-N 3.12Å; V84-Y111 HydrophobicContact CG1-CD1 4.02Å; V84-Y111 HydrophobicContact CG1-CE1 3.96Å
85M80.5Confident76.9Confident0 Ų055.5 Ų55.50%028%0.284CS..Hα-helixtrans-59.8-45.2177.4-71.1174.3165.800112.5L77 I81 E88 I89 Y111 V224 W230L77-M85 HydrophobicContact CD1-SD 3.91Å; I81-M85 HydrophobicContact CG2-CE 3.53Å; I81-M85 HydrophobicContact CG2-CG 4.24Å; I81-M85 HydrophobicContact CG2-SD 3.68Å; I81-M85 WeakPolarHBondContact O-CG 3.27Å; I81-M85 PolarHBondContact O-N 2.94Å; M85-E88 PolarHBondContact O-N 3.14Å; M85-I89 WeakPolarHBondContact O-CG1 3.49Å; M85-I89 PolarHBondContact O-N 3.25Å; M85-Y111 HydrophobicContact CE-CD1 4.49Å; M85-Y111 HydrophobicContact CE-CD2 3.58Å; M85-Y111 HydrophobicContact CE-CE2 3.91Å; M85-Y111 HydrophobicContact CE-CG 3.88Å; M85-Y111 HydrophobicContact CG-CD1 4.09Å; M85-Y111 HydrophobicContact CG-CD2 4.44Å; M85-Y111 HydrophobicContact CG-CE1 3.77Å; M85-Y111 HydrophobicContact CG-CE2 4.16Å; M85-Y111 HydrophobicContact CG-CG 4.39Å; M85-V224 HydrophobicContact CE-CB 3.76Å; M85-V224 HydrophobicContact CE-CG1 3.92Å; M85-V224 HydrophobicContact CE-CG2 3.94Å; M85-W230 HydrophobicContact CB-CZ3 4.39Å; M85-W230 HydrophobicContact CE-CD2 4.09Å; M85-W230 HydrophobicContact CE-CE3 3.8Å; M85-W230 HydrophobicContact CE-CH2 4.45Å; M85-W230 HydrophobicContact CE-CZ3 3.98Å; M85-W230 HydrophobicContact CG-CZ3 4.16Å; M85-W230 HydrophobicContact SD-CD2 4.45Å; M85-W230 HydrophobicContact SD-CE3 3.57Å; M85-W230 VanDerWaalsContact SD-CE3 3.57Å; M85-W230 HydrophobicContact SD-CH2 4.26Å; M85-W230 HydrophobicContact SD-CZ3 3.45Å; M85-W230 WeakPolarHBondContact SD-CZ3 3.39Å
86K80.5Confident75.8Confident27 Ų2760.7 Ų60.712%0.11732%0.317CS..Hα-helixtrans-60.1-48.4177.2-80.3-177.5176.6-163.30112.1E70 A82 R83 V84 E88 I89 I90 L685 N686 L689E70-K86 IonicContact OE1-NZ 2.79Å; E70-K86 PolarHBondContact OE1-NZ 2.91Å; A82-K86 WeakPolarHBondContact O-CB 3.34Å; A82-K86 VanDerWaalsContact O-CG 3.27Å; A82-K86 WeakPolarHBondContact O-CG 3.33Å; A82-K86 PolarHBondContact O-N 3.28Å; R83-K86 PolarHBondContact O-N 3.04Å; V84-K86 PolarHBondContact O-N 2.84Å; K86-E88 PolarHBondContact O-N 3.19Å; K86-I89 PolarHBondContact O-N 3.13Å; K86-I90 WeakPolarHBondContact O-CB 3.23Å; K86-I90 WeakPolarHBondContact O-CD1 3.33Å; K86-I90 WeakPolarHBondContact O-CG1 3.39Å; K86-I90 PolarHBondContact O-N 3.06Å; K86-L685 HydrophobicContact CB-CD2 4.21Å; K86-L685 HydrophobicContact CG-CD2 4.02Å; K86-N686 WeakPolarHBondContact CE-OD1 3.38Å; K86-N686 PolarHBondContact NZ-OD1 2.98Å; K86-L689 HydrophobicContact CG-CD1 3.85Å
87A80.4Confident74.5Confident58 Ų5862.6 Ų62.648%0.47933%0.328SS..Hα-helixtrans-58.3-41.3-179.200000111.3R83 V84 Q91R83-A87 PolarHBondContact O-N 3.3Å; V84-A87 PolarHBondContact O-N 2.88Å; A87-Q91 WeakPolarHBondContact O-CB 3.27Å; A87-Q91 PolarHBondContact O-N 3.29Å
88E77.2Confident72.9Confident28 Ų2870.1 Ų70.113%0.13136%0.36CS..Hα-helixtrans-67.3-46.3178.4-172.1-175.813900113V84 M85 K86 I90 Q91 R92 N109 Y111V84-E88 PolarHBondContact O-N 2.87Å; V84-E88 VanDerWaalsContact O-N 3.12Å; M85-E88 PolarHBondContact O-N 3.14Å; K86-E88 PolarHBondContact O-N 3.19Å; E88-I90 VanDerWaalsContact C-N 3.3Å; E88-I90 PolarHBondContact O-N 2.95Å; E88-Q91 WeakPolarHBondContact O-CB 2.84Å; E88-Q91 PolarHBondContact O-N 3.16Å; E88-R92 WeakPolarHBondContact O-CG 3.22Å; E88-R92 PolarHBondContact O-N 3.26Å; E88-R92 IonicContact OE1-CZ 3.88Å; E88-R92 IonicContact OE1-NE 3.79Å; E88-R92 PolarHBondContact OE1-NE 2.87Å; E88-R92 IonicContact OE1-NH2 2.76Å; E88-R92 PolarHBondContact OE1-NH2 2.92Å; E88-N109 PolarHBondContact OE1-ND2 2.76Å; E88-N109 PolarHBondContact OE2-ND2 2.87Å; E88-Y111 PolarHBondContact OE1-OH 3.11Å; E88-Y111 PolarHBondContact OE2-OH 3.01Å
89I76.6Confident71.3Confident32 Ų3273.3 Ų73.316%0.16440%0.395CS..Hα-helixtrans-64.2-39.8178.8-61.8164.4000110.2M85 K86 Q91 R92 L93 L685 L689M85-I89 WeakPolarHBondContact O-CG1 3.49Å; M85-I89 PolarHBondContact O-N 3.25Å; K86-I89 PolarHBondContact O-N 3.13Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 3.35Å; I89-R92 PolarHBondContact O-N 2.81Å; I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.23Å; I89-L93 VanDerWaalsContact O-CG 3.31Å; I89-L93 WeakPolarHBondContact O-CG 3.41Å; I89-L93 PolarHBondContact O-N 2.79Å; I89-L685 HydrophobicContact CB-CD1 3.65Å; I89-L685 HydrophobicContact CD1-CD1 3.97Å; I89-L685 HydrophobicContact CG1-CD1 4.43Å; I89-L685 HydrophobicContact CG2-CD1 3.26Å; I89-L689 HydrophobicContact CD1-CD2 3.58Å; I89-L689 HydrophobicContact CD1-CG 4.27Å
90I76.1Confident69.4Low46 Ų4680 Ų8024%0.23641%0.41CS..Hα-helixtrans-59.2-44.5174.5-69.3166.5000110.3K86 E88 R92 L93 Q94 M682 L685K86-I90 WeakPolarHBondContact O-CB 3.23Å; K86-I90 WeakPolarHBondContact O-CD1 3.33Å; K86-I90 WeakPolarHBondContact O-CG1 3.39Å; K86-I90 PolarHBondContact O-N 3.06Å; E88-I90 VanDerWaalsContact C-N 3.3Å; E88-I90 PolarHBondContact O-N 2.95Å; I90-R92 VanDerWaalsContact C-N 3.33Å; I90-R92 PolarHBondContact O-N 3.49Å; I90-L93 PolarHBondContact O-N 3.26Å; I90-Q94 HydrophobicContact CG2-CG 4.24Å; I90-Q94 WeakPolarHBondContact O-CB 3.33Å; I90-Q94 WeakPolarHBondContact O-CG 3.36Å; I90-Q94 PolarHBondContact O-N 3.34Å; I90-M682 HydrophobicContact CD1-CE 4.1Å; I90-L685 HydrophobicContact CD1-CD2 3.88Å; I90-L685 HydrophobicContact CG1-CD2 3.68Å
91Q76.9Confident67.6Low147 Ų14785 Ų8569%0.68744%0.443SS*.Hα-helixtrans-60.9-40.8176.3-171.7178.53.700112A87 E88 I89 Q94 G95A87-Q91 WeakPolarHBondContact O-CB 3.27Å; A87-Q91 PolarHBondContact O-N 3.29Å; E88-Q91 WeakPolarHBondContact O-CB 2.84Å; E88-Q91 PolarHBondContact O-N 3.16Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 PolarHBondContact O-N 3.35Å; Q91-Q94 PolarHBondContact O-N 3.4Å; Q91-G95 PolarHBondContact O-N 3.21Å
92R70.8Confident65.8Low158 Ų15890.3 Ų90.360%0.59647%0.468SS*.Hα-helixtrans-65.8-36.2174.8-68.3-179.5-173.4-166.60.5112.9E88 I89 I90E88-R92 WeakPolarHBondContact O-CG 3.22Å; E88-R92 PolarHBondContact O-N 3.26Å; E88-R92 IonicContact OE1-CZ 3.88Å; E88-R92 IonicContact OE1-NE 3.79Å; E88-R92 PolarHBondContact OE1-NE 2.87Å; E88-R92 IonicContact OE1-NH2 2.76Å; E88-R92 PolarHBondContact OE1-NH2 2.92Å; I89-R92 PolarHBondContact O-N 2.81Å; I90-R92 VanDerWaalsContact C-N 3.33Å; I90-R92 PolarHBondContact O-N 3.49Å
93L68.6Low63.9Low93 Ų9395.1 Ų95.149%0.48750%0.501SS..Hα-helixtrans-75.4-30.4178.4-70.2172.4000112.9I89 I90 F98I89-L93 HydrophobicContact CG2-CD1 3.94Å; I89-L93 HydrophobicContact CG2-CG 4.23Å; I89-L93 VanDerWaalsContact O-CG 3.31Å; I89-L93 WeakPolarHBondContact O-CG 3.41Å; I89-L93 PolarHBondContact O-N 2.79Å; I90-L93 PolarHBondContact O-N 3.26Å; L93-F98 HydrophobicContact CD2-CE2 4.5Å; L93-F98 WeakPolarHBondContact O-CD2 3.01Å
94Q65.8Low61.9Low159 Ų15992.4 Ų92.474%0.74350%0.503SS*.Hα-helixtrans-95.8-11.4-177.8-67.4-179.1-7.500114I90 Q91I90-Q94 HydrophobicContact CG2-CG 4.24Å; I90-Q94 WeakPolarHBondContact O-CB 3.33Å; I90-Q94 WeakPolarHBondContact O-CG 3.36Å; I90-Q94 PolarHBondContact O-N 3.34Å; Q91-Q94 PolarHBondContact O-N 3.4Å
95G57Low60.3Low24 Ų2493.9 Ų93.925%0.24751%0.509CS..SBendtrans-67.6153.4-177.600000113.9Q91 N97 F98Q91-G95 PolarHBondContact O-N 3.21Å; G95-N97 PolarHBondContact O-N 3.4Å; G95-F98 PolarHBondContact O-N 3.28Å
96P51.9Low59.2Low136 Ų136100.8 Ų100.888%0.88355%0.546SS*.THydrogen-bonded Turntrans-63-9.7178.525.6-33.6000114.1
97N46.7Very low58.7Low61 Ų61104.7 Ų104.733%0.32656%0.563SS.*THydrogen-bonded Turntrans-100.341.8177.7-75-30.2000112.2G95 G99 R100 E102G95-N97 PolarHBondContact O-N 3.4Å; N97-G99 PolarHBondContact O-N 3.1Å; N97-R100 HydrophobicContact CB-CB 4.19Å; N97-R100 PolarHBondContact O-N 3.09Å; N97-E102 HydrophobicContact CB-CG 4.41Å; N97-E102 PolarHBondContact ND2-OE1 3.49Å
98F46.7Very low58.6Low160 Ų160104.6 Ų104.670%0.70255%0.552SS**THydrogen-bonded Turntrans-55.2111175.5-166.1-95.9000110.4L93 G95L93-F98 HydrophobicContact CD2-CE2 4.5Å; L93-F98 WeakPolarHBondContact O-CD2 3.01Å; G95-F98 PolarHBondContact O-N 3.28Å
99G47.5Very low58.7Low79 Ų79106 Ų10681%0.81456%0.561SS**THydrogen-bonded Turntrans85.95.4-179.700000116.5N97N97-G99 PolarHBondContact O-N 3.1Å
100R42.2Very low59.1Low190 Ų190106.2 Ų106.272%0.71756%0.562SS**  trans-98.2117.8165.6-75-178.5175.3178-2.1108.9N97 E102N97-R100 HydrophobicContact CB-CB 4.19Å; N97-R100 PolarHBondContact O-N 3.09Å; R100-E102 PolarHBondContact O-N 3.23Å
101T43Very low59.6Low140 Ų140105.5 Ų105.586%0.85956%0.557SS**  trans-54.9103.7164.6-32.30000106.9S103T101-S103 VanDerWaalsContact C-N 3.27Å; T101-S103 PolarHBondContact O-N 3.12Å
102E44.5Very low60.1Low116 Ų11699.7 Ų99.754%0.54253%0.531SS..  trans-65.193.3174.1-80.2-172.2164.200108.1N97 R100 T104N97-E102 HydrophobicContact CB-CG 4.41Å; N97-E102 PolarHBondContact ND2-OE1 3.49Å; R100-E102 PolarHBondContact O-N 3.23Å; E102-T104 PolarHBondContact O-N 3.26Å; E102-T104 VanDerWaalsContact O-N 3.09Å
103S43.5Very low60.9Low104 Ų10496.1 Ų96.173%0.72752%0.521SS*.THydrogen-bonded Turntrans-74.621.8171.768.50000112.2T101T101-S103 VanDerWaalsContact C-N 3.27Å; T101-S103 PolarHBondContact O-N 3.12Å
104T41.6Very low61.9Low108 Ų10896.3 Ų96.366%0.66352%0.516SS*.THydrogen-bonded Turntrans-88.2-14.5-178.349.70000112.5E102E102-T104 PolarHBondContact O-N 3.26Å; E102-T104 VanDerWaalsContact O-N 3.09Å
105N48.7Very low63.1Low106 Ų10690 Ų9057%0.56749%0.486SS*.  trans-103.5115.1165.6-71-6.4000108.6F107N105-F107 PolarHBondContact O-N 2.96Å
106N58.1Low64.7Low145 Ų14591.7 Ų91.778%0.77549%0.491SS*.SBendtrans-65.5-3.1175.3-68-20.2000113.6
107F68.1Low66.6Low109 Ų10989 Ų8948%0.47847%0.47SS..SBendtrans-135.7145.4-175.8-65.3-78.8000110.5N105 R748 E752N105-F107 PolarHBondContact O-N 2.96Å; F107-R748 HydrophobicContact CD1-CG 4.38Å; F107-E752 WeakPolarHBondContact CA-OE1 3.33Å; F107-E752 HydrophobicContact CD1-CG 3.72Å; F107-E752 HydrophobicContact CE1-CG 4.29Å
108H80.1Confident69Low55 Ų5586.1 Ų86.126%0.25545%0.454SS..  trans-68.5147.2168.6-67.193.2000110.6L110 E752H108-L110 PolarHBondContact O-N 3.06Å; H108-E752 IonicContact CE1-OE2 3.69Å; H108-E752 IonicContact CG-OE2 2.72Å; H108-E752 PolarHBondContact N-OE1 3.19Å; H108-E752 PolarHBondContact N-OE2 3.37Å; H108-E752 IonicContact ND1-OE1 3.98Å; H108-E752 IonicContact ND1-OE2 3.98Å; H108-E752 PolarHBondContact ND1-OE2 3.47Å
109N79.5Confident71.4Confident59 Ų5978.5 Ų78.532%0.31642%0.421SS..  trans-66.8133.8-179.2-73-14000111.1E88 Y111E88-N109 PolarHBondContact OE1-ND2 2.76Å; E88-N109 PolarHBondContact OE2-ND2 2.87Å; N109-Y111 HydrophobicContact CB-CE2 4.46Å
110L83.6Confident73.8Confident36 Ų3674.7 Ų74.719%0.18838%0.382CS..  trans-108.8121.3-177.4-177.868.9000109.7H108 V112 I225 L744 R748 N751H108-L110 PolarHBondContact O-N 3.06Å; L110-V112 HydrophobicContact CD1-CG2 3.62Å; L110-V112 HydrophobicContact CD2-CB 4.39Å; L110-V112 HydrophobicContact CD2-CG2 4.26Å; L110-V112 HydrophobicContact CG-CB 4.14Å; L110-V112 HydrophobicContact CG-CG2 3.75Å; L110-I225 HydrophobicContact CD1-CG2 4.03Å; L110-L744 HydrophobicContact CD2-CD1 3.78Å; L110-L744 HydrophobicContact CD2-CG 4.47Å; L110-R748 HydrophobicContact CD2-CB 4.1Å; L110-N751 HydrophobicContact CD1-CB 3.75Å
111Y86.2Confident76.4Confident31 Ų3165.7 Ų65.712%0.12235%0.348CS..EExtended strand (participates in β ladder)trans-104.470-179-53.7-83.6000110.6V84 M85 E88 N109 G223 V224V84-Y111 HydrophobicContact CG1-CD1 4.02Å; V84-Y111 HydrophobicContact CG1-CE1 3.96Å; M85-Y111 HydrophobicContact CE-CD1 4.49Å; M85-Y111 HydrophobicContact CE-CD2 3.58Å; M85-Y111 HydrophobicContact CE-CE2 3.91Å; M85-Y111 HydrophobicContact CE-CG 3.88Å; M85-Y111 HydrophobicContact CG-CD1 4.09Å; M85-Y111 HydrophobicContact CG-CD2 4.44Å; M85-Y111 HydrophobicContact CG-CE1 3.77Å; M85-Y111 HydrophobicContact CG-CE2 4.16Å; M85-Y111 HydrophobicContact CG-CG 4.39Å; E88-Y111 PolarHBondContact OE1-OH 3.11Å; E88-Y111 PolarHBondContact OE2-OH 3.01Å; N109-Y111 HydrophobicContact CB-CE2 4.46Å; Y111-G223 CarbonylContact O-C 3.58Å; Y111-G223 WeakPolarHBondContact O-CA 3.46Å; Y111-V224 PolarHBondContact O-N 3.21Å
112V88.1Confident78.9Confident24 Ų2459.9 Ų59.915%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-123.9137.8-177175.70000111L110 L221 C222 W235 L744 L747L110-V112 HydrophobicContact CD1-CG2 3.62Å; L110-V112 HydrophobicContact CD2-CB 4.39Å; L110-V112 HydrophobicContact CD2-CG2 4.26Å; L110-V112 HydrophobicContact CG-CB 4.14Å; L110-V112 HydrophobicContact CG-CG2 3.75Å; V112-L221 HydrophobicContact CG1-CB 3.86Å; V112-L221 HydrophobicContact CG1-CD2 4.21Å; V112-C222 CarbonylContact C-O 3.46Å; V112-C222 WeakPolarHBondContact CA-O 3.5Å; V112-W235 HydrophobicContact CG2-CZ3 4.48Å; V112-L744 HydrophobicContact CB-CD1 4.05Å; V112-L744 HydrophobicContact CG1-CD1 3.95Å; V112-L747 HydrophobicContact CG1-CD1 4.11Å
113Q87.8Confident81.4Confident83 Ų8354.4 Ų54.439%0.38829%0.285SS..EExtended strand (participates in β ladder)trans-128.6145.2176.1-64.1-171.4-5.500110.5H80 C222H80-Q113 PolarHBondContact NE2-OE1 3.11Å; Q113-C222 PolarHBondContact N-O 2.81Å; Q113-C222 PolarHBondContact O-N 2.77Å; Q113-C222 PolarHBondContact O-SG 2.89Å; Q113-C222 VanDerWaalsContact O-SG 3.35Å
114R88.7Confident83.7Confident98 Ų9850.8 Ų50.837%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-95.4137.6178.1-171.9175.4174.9-148.96.7111.2L221 E742R114-L221 HydrophobicContact CB-CD2 3.69Å; R114-L221 HydrophobicContact CG-CD2 3.91Å; R114-E742 VanDerWaalsContact CZ-CD 3.44Å; R114-E742 IonicContact CZ-OE1 2.67Å; R114-E742 IonicContact CZ-OE2 3.11Å; R114-E742 IonicContact NE-OE2 3.96Å; R114-E742 IonicContact NH1-OE1 2.59Å; R114-E742 PolarHBondContact NH1-OE1 3.34Å; R114-E742 IonicContact NH1-OE2 3.26Å; R114-E742 PolarHBondContact NH1-OE2 3.27Å; R114-E742 IonicContact NH2-OE2 3.52Å; R114-E742 PolarHBondContact NH2-OE2 2.83Å
115H91.1Very high86.1Confident25 Ų2545.8 Ų45.812%0.11623%0.227CC..EExtended strand (participates in β ladder)trans-130139.2171.8-65.3-96.2000110.2V118 L176 P177 V220 C222H115-V118 HydrophobicContact CB-CG1 3.98Å; H115-L176 HydrophobicContact CB-CD2 3.53Å; H115-L176 VanDerWaalsContact CD2-CD2 3.48Å; H115-L176 WeakPolarHBondContact CD2-CD2 3.33Å; H115-P177 PolarHBondContact CE1-O 3.23Å; H115-P177 PolarHBondContact ND1-O 3.22Å; H115-V220 HydrophobicContact CB-CG2 4.19Å; H115-V220 PolarHBondContact N-O 3.49Å; H115-V220 PolarHBondContact O-N 2.95Å; H115-C222 PolarHBondContact CD2-SG 2.73Å
116T91.6Very high88Confident60 Ų6042.5 Ų42.537%0.36821%0.21SC..EExtended strand (participates in β ladder)trans-111.5158.3176.558.50000110.2N219T116-N219 VanDerWaalsContact CA-OD1 3.25Å; T116-N219 WeakPolarHBondContact CA-OD1 3.4Å; T116-N219 VanDerWaalsContact CB-OD1 3.25Å; T116-N219 WeakPolarHBondContact CB-OD1 3.29Å; T116-N219 WeakPolarHBondContact CG2-OD1 3.34Å
117N91.4Very high89.2Confident80 Ų8037.4 Ų37.443%0.42819%0.192SC..EExtended strand (participates in β ladder)trans54.755.7-179.6-55-42.4000112.4H183 G218N117-H183 PolarHBondContact O-CD2 3.04Å; N117-H183 VanDerWaalsContact O-CG 3.29Å; N117-H183 PolarHBondContact O-ND1 3.34Å; N117-H183 PolarHBondContact O-NE2 3.44Å; N117-G218 PolarHBondContact N-O 3.39Å
118V96.4Very high89.9Confident0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-106.5158.4171.3-58.50000109.8H115 I120 V173 S174 L176 S217 G218 V220H115-V118 HydrophobicContact CB-CG1 3.98Å; V118-I120 HydrophobicContact CG2-CG1 4.3Å; V118-V173 HydrophobicContact CB-CG1 3.91Å; V118-V173 HydrophobicContact CG2-CG1 4.19Å; V118-S174 WeakPolarHBondContact CA-O 3.32Å; V118-S174 WeakPolarHBondContact CB-O 3.48Å; V118-L176 HydrophobicContact CG1-CD2 4.15Å; V118-L176 HydrophobicContact CG1-CG 4.25Å; V118-S217 CarbonylContact O-C 3.6Å; V118-S217 WeakPolarHBondContact O-CA 3.37Å; V118-G218 VanDerWaalsContact CG2-O 3.32Å; V118-G218 WeakPolarHBondContact CG2-O 3.46Å; V118-G218 PolarHBondContact N-O 3.43Å; V118-G218 PolarHBondContact O-N 2.78Å; V118-V220 HydrophobicContact CB-CG2 4.5Å; V118-V220 HydrophobicContact CG1-CG2 4.22Å; V118-V220 HydrophobicContact CG2-CB 4.2Å; V118-V220 HydrophobicContact CG2-CG1 3.61Å; V118-V220 HydrophobicContact CG2-CG2 3.61Å
119S97.4Very high89.8Confident0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-117.4132.7169.9-68.10000110.7V173 S174 H183 A184 C187 H216 S217S119-V173 CarbonylContact O-C 3.47Å; S119-V173 VanDerWaalsContact O-CA 3.26Å; S119-V173 WeakPolarHBondContact O-CA 3.43Å; S119-V173 WeakPolarHBondContact O-CG1 3.38Å; S119-S174 PolarHBondContact N-O 2.98Å; S119-S174 PolarHBondContact O-N 3.41Å; S119-H183 PolarHBondContact N-ND1 3.41Å; S119-H183 PolarHBondContact OG-ND1 3.02Å; S119-A184 WeakPolarHBondContact OG-CA 3.3Å; S119-A184 WeakPolarHBondContact OG-CB 3.4Å; S119-A184 PolarHBondContact OG-N 3.47Å; S119-C187 VanDerWaalsContact CB-SG 3.59Å; S119-C187 PolarHBondContact O-SG 2.85Å; S119-H216 WeakPolarHBondContact CA-O 2.84Å; S119-S217 PolarHBondContact OG-OG 2.92Å
120I97.4Very high89.8Confident0 Ų040.6 Ų40.60%020%0.203CC..EExtended strand (participates in β ladder)trans-112.9128.1-170.6-57.9158.1000107.2V118 Y122 Y171 V173 V215 H216 V220 D238 V239 A242V118-I120 HydrophobicContact CG2-CG1 4.3Å; I120-Y122 HydrophobicContact CG2-CD2 4.26Å; I120-Y122 HydrophobicContact CG2-CE2 4.04Å; I120-Y171 HydrophobicContact CG2-CE2 3.4Å; I120-Y171 VanDerWaalsContact CG2-CE2 3.4Å; I120-Y171 WeakPolarHBondContact CG2-OH 3.4Å; I120-V173 HydrophobicContact CG1-CG2 4.29Å; I120-V173 HydrophobicContact CG2-CG2 4.42Å; I120-V215 VanDerWaalsContact O-CA 3.29Å; I120-V215 WeakPolarHBondContact O-CA 3.34Å; I120-H216 PolarHBondContact N-O 2.92Å; I120-H216 PolarHBondContact O-N 3.23Å; I120-V220 HydrophobicContact CD1-CG1 3.7Å; I120-V220 HydrophobicContact CG1-CG1 4.23Å; I120-D238 HydrophobicContact CD1-CB 4.05Å; I120-V239 HydrophobicContact CD1-CB 4.49Å; I120-V239 HydrophobicContact CD1-CG2 3.82Å; I120-A242 HydrophobicContact CB-CB 3.89Å; I120-A242 HydrophobicContact CG2-CB 3.52Å
121L97.3Very high89.6Confident0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-125.1123.5-179.3179159000110.3A123 Y171 C172 C187 M190 M194 V213 G214 V215L121-A123 HydrophobicContact CD2-CB 3.75Å; L121-Y171 WeakPolarHBondContact O-CD2 3.44Å; L121-C172 PolarHBondContact N-O 3.21Å; L121-C172 PolarHBondContact O-N 2.8Å; L121-C187 WeakPolarHBondContact CD1-O 3.42Å; L121-M190 HydrophobicContact CD1-CB 4.47Å; L121-M190 HydrophobicContact CD1-CG 4.29Å; L121-M194 HydrophobicContact CD2-SD 4.21Å; L121-V213 HydrophobicContact CD1-CG1 3.89Å; L121-V213 HydrophobicContact CD2-CG1 4.14Å; L121-V213 HydrophobicContact CG-CG1 3.81Å; L121-G214 WeakPolarHBondContact CA-O 3.4Å; L121-V215 HydrophobicContact CB-CG2 4.2Å; L121-V215 HydrophobicContact CD1-CG2 3.95Å; L121-V215 HydrophobicContact CG-CG2 4.01Å
122Y96.8Very high89.2Confident19 Ų1939.1 Ų39.18%0.07520%0.2CC..EExtended strand (participates in β ladder)trans-106.6131.6167.3-81.6-90.5000108.9I120 L166 Y171 V213 G214 V239 A242 N243I120-Y122 HydrophobicContact CG2-CD2 4.26Å; I120-Y122 HydrophobicContact CG2-CE2 4.04Å; Y122-L166 HydrophobicContact CE1-CD1 4.48Å; Y122-Y171 AromaticContact CD1-CD2 3.73Å; Y122-Y171 HydrophobicContact CD1-CD2 3.73Å; Y122-Y171 HydrophobicContact CD1-CE2 4.43Å; Y122-Y171 HydrophobicContact CD1-CG 4.26Å; Y122-Y171 AromaticContact CD2-CD2 3.72Å; Y122-Y171 HydrophobicContact CD2-CD2 3.72Å; Y122-Y171 AromaticContact CD2-CE2 3.71Å; Y122-Y171 HydrophobicContact CD2-CE2 3.71Å; Y122-Y171 HydrophobicContact CE1-CD1 4.49Å; Y122-Y171 AromaticContact CE1-CD2 3.47Å; Y122-Y171 HydrophobicContact CE1-CD2 3.47Å; Y122-Y171 VanDerWaalsContact CE1-CD2 3.47Å; Y122-Y171 AromaticContact CE1-CE2 3.98Å; Y122-Y171 HydrophobicContact CE1-CE2 3.98Å; Y122-Y171 AromaticContact CE1-CG 3.79Å; Y122-Y171 HydrophobicContact CE1-CG 3.79Å; Y122-Y171 AromaticContact CE2-CD2 3.48Å; Y122-Y171 HydrophobicContact CE2-CD2 3.48Å; Y122-Y171 VanDerWaalsContact CE2-CD2 3.48Å; Y122-Y171 AromaticContact CE2-CE2 3.18Å; Y122-Y171 HydrophobicContact CE2-CE2 3.18Å; Y122-Y171 HydrophobicContact CE2-CG 4.47Å; Y122-Y171 AromaticContact CE2-CZ 3.98Å; Y122-Y171 AromaticContact CG-CD2 3.85Å; Y122-Y171 HydrophobicContact CG-CD2 3.85Å; Y122-Y171 HydrophobicContact CG-CE2 4.31Å; Y122-Y171 AromaticContact CZ-CD2 3.33Å; Y122-Y171 AromaticContact CZ-CE2 3.31Å; Y122-Y171 AromaticContact CZ-CG 3.91Å; Y122-Y171 AromaticContact CZ-CZ 3.87Å; Y122-V213 CarbonylContact O-C 3.59Å; Y122-V213 WeakPolarHBondContact O-CA 3.45Å; Y122-G214 PolarHBondContact N-O 2.88Å; Y122-G214 PolarHBondContact O-N 3.43Å; Y122-V239 HydrophobicContact CE2-CG1 4.18Å; Y122-V239 WeakPolarHBondContact OH-CG1 3.38Å; Y122-A242 HydrophobicContact CD2-CB 3.73Å; Y122-A242 HydrophobicContact CE2-CB 3.97Å; Y122-N243 HydrophobicContact CD2-CB 4.2Å; Y122-N243 HydrophobicContact CE1-CB 4.4Å; Y122-N243 HydrophobicContact CE2-CB 3.97Å; Y122-N243 HydrophobicContact CG-CB 4.49Å
123A95.3Very high88.5Confident0 Ų042.2 Ų42.20%022%0.224CC..EExtended strand (participates in β ladder)trans-135113.5178.500000111.6L121 C169 Y170 M194 M211 R212 V213L121-A123 HydrophobicContact CD2-CB 3.75Å; A123-C169 CarbonylContact O-C 3.02Å; A123-C169 WeakPolarHBondContact O-CA 3.35Å; A123-Y170 PolarHBondContact N-O 3.25Å; A123-Y170 PolarHBondContact O-N 2.89Å; A123-M194 HydrophobicContact CB-SD 4.1Å; A123-M211 HydrophobicContact CB-CE 3.49Å; A123-M211 VanDerWaalsContact CB-CE 3.49Å; A123-M211 HydrophobicContact CB-CG 4.46Å; A123-M211 HydrophobicContact CB-SD 4.26Å; A123-R212 CarbonylContact C-O 3.6Å; A123-R212 WeakPolarHBondContact CA-O 3.27Å; A123-V213 HydrophobicContact CB-CG2 4.01Å
124D93.5Very high88Confident29 Ų2941.7 Ų41.716%0.15522%0.223CC..EExtended strand (participates in β ladder)trans-107.1142.1-178.1-175.146.7000112V126 M211 R212 E246D124-V126 PolarHBondContact O-N 3.34Å; D124-M211 WeakPolarHBondContact O-CA 3.15Å; D124-M211 WeakPolarHBondContact O-CG 3.35Å; D124-R212 PolarHBondContact N-O 2.94Å; D124-R212 PolarHBondContact O-N 3.42Å; D124-E246 HydrophobicContact CB-CG 4.23Å; D124-E246 VanDerWaalsContact CB-OE1 3.25Å; D124-E246 WeakPolarHBondContact CB-OE1 3.48Å
125I91Very high87.3Confident3 Ų337.8 Ų37.82%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-91.3107.6179.4-54.6163.9000109.5G127 F128 L147 F148 N210 M211I125-G127 PolarHBondContact O-N 3.2Å; I125-F128 HydrophobicContact CB-CB 3.89Å; I125-F128 HydrophobicContact CD1-CD2 4.31Å; I125-F128 HydrophobicContact CG2-CB 3.83Å; I125-F128 HydrophobicContact CG2-CD2 4.41Å; I125-F128 WeakPolarHBondContact O-CB 3.39Å; I125-F128 PolarHBondContact O-N 3.3Å; I125-L147 HydrophobicContact CD1-CD2 3.45Å; I125-L147 VanDerWaalsContact CD1-CD2 3.45Å; I125-F148 HydrophobicContact CD1-CE1 4.29Å; I125-N210 CarbonylContact C-O 3.46Å; I125-M211 HydrophobicContact CG1-CE 4.26Å
126V88.5Confident86.6Confident36 Ų3638.9 Ų38.922%0.21822%0.221CC..EExtended strand (participates in β ladder)trans-70.4126177.2-172.90000110.1D124 N210 R212 P251D124-V126 PolarHBondContact O-N 3.34Å; V126-N210 HydrophobicContact CB-CB 4.24Å; V126-N210 PolarHBondContact N-O 2.82Å; V126-N210 PolarHBondContact O-N 3.46Å; V126-R212 HydrophobicContact CG2-CB 4.32Å; V126-R212 HydrophobicContact CG2-CG 3.79Å; V126-P251 HydrophobicContact CG2-CB 4.32Å; V126-P251 HydrophobicContact CG2-CG 4.22Å
127G83.4Confident85.8Confident38 Ų3837.7 Ų37.739%0.39222%0.215SC..THydrogen-bonded Turntrans92-2.6179.100000114.4I125 T129 R130 L131I125-G127 PolarHBondContact O-N 3.2Å; G127-T129 PolarHBondContact O-N 3.39Å; G127-R130 PolarHBondContact O-N 3.08Å; G127-L131 PolarHBondContact O-N 3.01Å
128F82.1Confident85Confident12 Ų1235 Ų355%0.05321%0.206CC..Hα-helixtrans-64.2-42.4-175-176.9-94.7000113.5I125 R130 L131 A132 L140 M143 L144 D168I125-F128 HydrophobicContact CB-CB 3.89Å; I125-F128 HydrophobicContact CD1-CD2 4.31Å; I125-F128 HydrophobicContact CG2-CB 3.83Å; I125-F128 HydrophobicContact CG2-CD2 4.41Å; I125-F128 WeakPolarHBondContact O-CB 3.39Å; I125-F128 PolarHBondContact O-N 3.3Å; F128-R130 PolarHBondContact O-N 3.18Å; F128-R130 VanDerWaalsContact O-N 3.16Å; F128-L131 CarbonylContact O-C 3.49Å; F128-L131 WeakPolarHBondContact O-CA 3.4Å; F128-L131 WeakPolarHBondContact O-CB 3.42Å; F128-L131 PolarHBondContact O-N 3.07Å; F128-A132 HydrophobicContact CD1-CB 4.18Å; F128-A132 HydrophobicContact CE1-CB 3.75Å; F128-A132 HydrophobicContact CZ-CB 4.14Å; F128-A132 WeakPolarHBondContact O-CB 3.37Å; F128-A132 PolarHBondContact O-N 3.33Å; F128-L140 HydrophobicContact CE1-CD1 4.38Å; F128-L140 HydrophobicContact CZ-CD1 3.73Å; F128-M143 HydrophobicContact CE2-CE 4.34Å; F128-M143 HydrophobicContact CE2-SD 3.69Å; F128-L144 HydrophobicContact CE1-CD2 4.17Å; F128-L144 HydrophobicContact CE2-CD2 3.56Å; F128-L144 HydrophobicContact CE2-CG 4.41Å; F128-L144 HydrophobicContact CZ-CD1 4.17Å; F128-L144 HydrophobicContact CZ-CD2 3.25Å; F128-L144 HydrophobicContact CZ-CG 3.86Å; F128-D168 HydrophobicContact CB-CB 3.97Å; F128-D168 HydrophobicContact CD1-CB 3.54Å; F128-D168 HydrophobicContact CE1-CB 4.27Å; F128-D168 HydrophobicContact CG-CB 3.86Å
129T79.1Confident84.3Confident77 Ų7737.7 Ų37.747%0.47222%0.218SC..Hα-helixtrans-56.4-37.6-177.5-39.20000112.7G127 S133G127-T129 PolarHBondContact O-N 3.39Å; T129-S133 PolarHBondContact O-N 2.94Å
130R78.8Confident83.6Confident202 Ų20237.9 Ų37.976%0.76222%0.22SC*.Hα-helixtrans-71.6-36.7176.9-175.4-179.3174.7-175.7-0.2111.9G127 F128 S133G127-R130 PolarHBondContact O-N 3.08Å; F128-R130 PolarHBondContact O-N 3.18Å; F128-R130 VanDerWaalsContact O-N 3.16Å; R130-S133 PolarHBondContact O-OG 3.31Å
131L79.3Confident82.8Confident12 Ų1237.9 Ų37.96%0.06322%0.22CC..Hα-helixtrans-66.4-41.8174.3-175.968.8000111.1G127 F128 D134 C135 M143 V207 A319G127-L131 PolarHBondContact O-N 3.01Å; F128-L131 CarbonylContact O-C 3.49Å; F128-L131 WeakPolarHBondContact O-CA 3.4Å; F128-L131 WeakPolarHBondContact O-CB 3.42Å; F128-L131 PolarHBondContact O-N 3.07Å; L131-D134 CarbonylContact O-C 3.51Å; L131-D134 WeakPolarHBondContact O-CA 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.4Å; L131-D134 PolarHBondContact O-N 3.25Å; L131-C135 PolarHBondContact O-SG 2.88Å; L131-M143 HydrophobicContact CD2-CE 3.69Å; L131-M143 HydrophobicContact CD2-SD 3.91Å; L131-M143 HydrophobicContact CG-CE 3.98Å; L131-V207 HydrophobicContact CD1-CG1 4.04Å; L131-A319 HydrophobicContact CD1-CB 4.18Å
132A78.5Confident82.1Confident23 Ų2340 Ų4019%0.1923%0.23CC..Hα-helixtrans-68.3-34.5-177.300000113.1F128 D134 C135 L140F128-A132 HydrophobicContact CD1-CB 4.18Å; F128-A132 HydrophobicContact CE1-CB 3.75Å; F128-A132 HydrophobicContact CZ-CB 4.14Å; F128-A132 WeakPolarHBondContact O-CB 3.37Å; F128-A132 PolarHBondContact O-N 3.33Å; A132-D134 PolarHBondContact O-N 3.09Å; A132-D134 VanDerWaalsContact O-N 3.16Å; A132-C135 PolarHBondContact O-N 2.79Å; A132-C135 VanDerWaalsContact O-N 3.16Å; A132-L140 HydrophobicContact CB-CD1 3.79Å
133S74.3Confident81.5Confident90 Ų9039.1 Ų39.163%0.62923%0.226SC*.THydrogen-bonded Turntrans-61.3-21.3171.750.80000112.8T129 R130T129-S133 PolarHBondContact O-N 2.94Å; R130-S133 PolarHBondContact O-OG 3.31Å
134D75.4Confident80.9Confident72 Ų7239.1 Ų39.139%0.38523%0.226SC..THydrogen-bonded Turntrans-99.518.3179.3-80.9-31.7000114L131 A132 R318 S320L131-D134 CarbonylContact O-C 3.51Å; L131-D134 WeakPolarHBondContact O-CA 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.4Å; L131-D134 PolarHBondContact O-N 3.25Å; A132-D134 PolarHBondContact O-N 3.09Å; A132-D134 VanDerWaalsContact O-N 3.16Å; D134-R318 VanDerWaalsContact CA-CZ 3.46Å; D134-R318 WeakPolarHBondContact O-CD 3.45Å; D134-R318 PolarHBondContact O-NE 3.02Å; D134-R318 PolarHBondContact O-NH1 3.41Å; D134-R318 PolarHBondContact O-NH2 2.86Å; D134-R318 IonicContact OD1-CZ 3.45Å; D134-R318 IonicContact OD1-NE 2.73Å; D134-R318 IonicContact OD1-NH2 3Å; D134-R318 PolarHBondContact OD1-NH2 3.44Å; D134-S320 PolarHBondContact O-OG 3.49Å
135C74.4Confident80.5Confident16 Ų1637.8 Ų37.811%0.10822%0.219CC..SBendtrans-113.3145.4-179.4-64.80000111.3L131 A132 E139 L140 M143 S320L131-C135 PolarHBondContact O-SG 2.88Å; A132-C135 PolarHBondContact O-N 2.79Å; A132-C135 VanDerWaalsContact O-N 3.16Å; C135-E139 HydrophobicContact CB-CB 4.4Å; C135-L140 HydrophobicContact CB-CB 3.83Å; C135-L140 HydrophobicContact CB-CD1 4.34Å; C135-M143 VanDerWaalsContact SG-CE 3.5Å; C135-S320 WeakPolarHBondContact SG-CB 3.43Å
136S77.5Confident80.2Confident48 Ų4838 Ų3834%0.33622%0.22SC..  trans-69158.6160790000110.2G138 E139 L140S136-G138 VanDerWaalsContact C-N 3.33Å; S136-G138 PolarHBondContact O-N 2.82Å; S136-E139 PolarHBondContact N-OE2 2.91Å; S136-E139 PolarHBondContact O-N 2.82Å; S136-E139 WeakPolarHBondContact OG-CB 3.37Å; S136-E139 VanDerWaalsContact OG-CD 3.25Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 2.94Å; S136-E139 PolarHBondContact OG-OE2 2.8Å; S136-L140 WeakPolarHBondContact O-CB 3.3Å; S136-L140 PolarHBondContact O-N 3.45Å
137P73.6Confident80.1Confident35 Ų3536.4 Ų36.423%0.22721%0.21CC..Hα-helixtrans-53.3-46.2179-28.134.9000113.9V141 I841P137-V141 WeakPolarHBondContact O-CG2 3.43Å; P137-V141 PolarHBondContact O-N 3.39Å; P137-I841 HydrophobicContact CB-CB 4.48Å; P137-I841 HydrophobicContact CB-CD1 4.04Å; P137-I841 HydrophobicContact CB-CG1 3.84Å; P137-I841 HydrophobicContact CB-CG2 3.83Å; P137-I841 HydrophobicContact CG-CD1 4Å; P137-I841 HydrophobicContact CG-CG1 3.88Å
138G75.6Confident80.4Confident24 Ų2434.6 Ų34.625%0.24719%0.191CC..Hα-helixtrans-66.9-41.5177.600000112.7S136 L140 H142 H714S136-G138 VanDerWaalsContact C-N 3.33Å; S136-G138 PolarHBondContact O-N 2.82Å; G138-L140 PolarHBondContact O-N 3.49Å; G138-H142 VanDerWaalsContact O-CB 3.28Å; G138-H142 WeakPolarHBondContact O-CB 3.42Å; G138-H142 PolarHBondContact O-N 3.01Å; G138-H714 VanDerWaalsContact CA-CD2 3.49Å; G138-H714 WeakPolarHBondContact CA-CD2 3.13Å
139E81.4Confident80.5Confident55 Ų5534.6 Ų34.626%0.25720%0.195SC..Hα-helixtrans-62.3-42.5176.7-74.7167.1-178.400112.1C135 S136 H142 M143C135-E139 HydrophobicContact CB-CB 4.4Å; S136-E139 PolarHBondContact N-OE2 2.91Å; S136-E139 PolarHBondContact O-N 2.82Å; S136-E139 WeakPolarHBondContact OG-CB 3.37Å; S136-E139 VanDerWaalsContact OG-CD 3.25Å; S136-E139 WeakPolarHBondContact OG-CG 3.44Å; S136-E139 PolarHBondContact OG-N 2.94Å; S136-E139 PolarHBondContact OG-OE2 2.8Å; E139-H142 PolarHBondContact O-N 3.41Å; E139-M143 VanDerWaalsContact O-CB 3.27Å; E139-M143 WeakPolarHBondContact O-CB 3.48Å; E139-M143 PolarHBondContact O-N 2.96Å
140L82.4Confident81Confident5 Ų533.8 Ų33.83%0.02619%0.185CC..Hα-helixtrans-63.6-50.5-179.9-178.262.1000111F128 A132 C135 S136 G138 H142 M143 L144 I841 W855F128-L140 HydrophobicContact CE1-CD1 4.38Å; F128-L140 HydrophobicContact CZ-CD1 3.73Å; A132-L140 HydrophobicContact CB-CD1 3.79Å; C135-L140 HydrophobicContact CB-CB 3.83Å; C135-L140 HydrophobicContact CB-CD1 4.34Å; S136-L140 WeakPolarHBondContact O-CB 3.3Å; S136-L140 PolarHBondContact O-N 3.45Å; G138-L140 PolarHBondContact O-N 3.49Å; L140-H142 VanDerWaalsContact C-N 3.3Å; L140-H142 PolarHBondContact O-N 2.89Å; L140-M143 HydrophobicContact CD1-CE 4.24Å; L140-M143 PolarHBondContact O-N 3.1Å; L140-L144 HydrophobicContact CD1-CD1 4.21Å; L140-L144 HydrophobicContact CD1-CG 4.31Å; L140-L144 HydrophobicContact CG-CD1 4.15Å; L140-L144 WeakPolarHBondContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.49Å; L140-I841 HydrophobicContact CD2-CD1 3.9Å; L140-W855 HydrophobicContact CD2-CB 4.29Å
141V81.8Confident81.6Confident0 Ų024.2 Ų24.20%015%0.148CC..Hα-helixtrans-63.7-38.9179.9174.60000110.7P137 N145 L712 H714 I841 I845 W855P137-V141 WeakPolarHBondContact O-CG2 3.43Å; P137-V141 PolarHBondContact O-N 3.39Å; V141-N145 VanDerWaalsContact O-CB 3.25Å; V141-N145 WeakPolarHBondContact O-CB 3.39Å; V141-N145 PolarHBondContact O-N 3.35Å; V141-L712 HydrophobicContact CG1-CB 4.04Å; V141-L712 HydrophobicContact CG1-CD1 4.36Å; V141-H714 HydrophobicContact CB-CB 4.1Å; V141-H714 HydrophobicContact CG1-CB 4.28Å; V141-H714 HydrophobicContact CG2-CB 3.79Å; V141-I841 HydrophobicContact CG2-CG2 4.21Å; V141-I845 HydrophobicContact CG1-CG2 4.37Å; V141-W855 HydrophobicContact CG2-CZ3 4.42Å
142H81.9Confident82Confident45 Ų4524 Ų2421%0.20815%0.147CC..Hα-helixtrans-63.9-50.1175.9-164.892.8000112.2G138 E139 L140 L144 N145 E146 T324 E328 L712G138-H142 VanDerWaalsContact O-CB 3.28Å; G138-H142 WeakPolarHBondContact O-CB 3.42Å; G138-H142 PolarHBondContact O-N 3.01Å; E139-H142 PolarHBondContact O-N 3.41Å; L140-H142 VanDerWaalsContact C-N 3.3Å; L140-H142 PolarHBondContact O-N 2.89Å; H142-L144 VanDerWaalsContact C-N 3.34Å; H142-L144 PolarHBondContact O-N 3.01Å; H142-N145 PolarHBondContact O-N 2.96Å; H142-E146 PolarHBondContact O-N 2.8Å; H142-T324 HydrophobicContact CB-CG2 4.34Å; H142-E328 VanDerWaalsContact NE2-CG 3.28Å; H142-E328 WeakPolarHBondContact NE2-CG 3.36Å; H142-E328 IonicContact NE2-OE1 3.55Å; H142-L712 HydrophobicContact CB-CD1 4.2Å
143M83.3Confident82.5Confident0 Ų026.8 Ų26.80%016%0.156CC..Hα-helixtrans-58-46.2177.8-176.1-130.6-56.800111.6F128 L131 C135 E139 L140 E146 L147 M323 L327F128-M143 HydrophobicContact CE2-CE 4.34Å; F128-M143 HydrophobicContact CE2-SD 3.69Å; L131-M143 HydrophobicContact CD2-CE 3.69Å; L131-M143 HydrophobicContact CD2-SD 3.91Å; L131-M143 HydrophobicContact CG-CE 3.98Å; C135-M143 VanDerWaalsContact SG-CE 3.5Å; E139-M143 VanDerWaalsContact O-CB 3.27Å; E139-M143 WeakPolarHBondContact O-CB 3.48Å; E139-M143 PolarHBondContact O-N 2.96Å; L140-M143 HydrophobicContact CD1-CE 4.24Å; L140-M143 PolarHBondContact O-N 3.1Å; M143-E146 PolarHBondContact O-N 3.05Å; M143-L147 VanDerWaalsContact O-CB 3.3Å; M143-L147 WeakPolarHBondContact O-CB 3.37Å; M143-L147 PolarHBondContact O-N 2.97Å; M143-M323 HydrophobicContact CG-CG 3.94Å; M143-M323 HydrophobicContact SD-CG 4.39Å; M143-L327 HydrophobicContact CB-CD1 4.29Å; M143-L327 HydrophobicContact CG-CD1 3.5Å; M143-L327 VanDerWaalsContact CG-CD1 3.5Å
144L83.8Confident83.4Confident0 Ų022.9 Ų22.90%013%0.128CC..Hα-helixtrans-64.2-41.6177.1-75-179.8000112.1F128 L140 H142 L147 F148 I845 W855F128-L144 HydrophobicContact CE1-CD2 4.17Å; F128-L144 HydrophobicContact CE2-CD2 3.56Å; F128-L144 HydrophobicContact CE2-CG 4.41Å; F128-L144 HydrophobicContact CZ-CD1 4.17Å; F128-L144 HydrophobicContact CZ-CD2 3.25Å; F128-L144 HydrophobicContact CZ-CG 3.86Å; L140-L144 HydrophobicContact CD1-CD1 4.21Å; L140-L144 HydrophobicContact CD1-CG 4.31Å; L140-L144 HydrophobicContact CG-CD1 4.15Å; L140-L144 WeakPolarHBondContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.49Å; H142-L144 VanDerWaalsContact C-N 3.34Å; H142-L144 PolarHBondContact O-N 3.01Å; L144-L147 PolarHBondContact O-N 3.37Å; L144-F148 HydrophobicContact CB-CD2 4.16Å; L144-F148 HydrophobicContact CB-CE2 4.24Å; L144-F148 HydrophobicContact CD2-CD2 4.2Å; L144-F148 HydrophobicContact CD2-CE2 3.56Å; L144-F148 HydrophobicContact CD2-CZ 3.93Å; L144-F148 HydrophobicContact CG-CE2 4.34Å; L144-F148 VanDerWaalsContact O-CB 3.27Å; L144-F148 WeakPolarHBondContact O-CB 3.38Å; L144-F148 WeakPolarHBondContact O-CD2 3.35Å; L144-F148 WeakPolarHBondContact O-CG 3.29Å; L144-F148 PolarHBondContact O-N 2.85Å; L144-I845 HydrophobicContact CB-CG2 4.42Å; L144-W855 HydrophobicContact CD1-CD2 4.43Å; L144-W855 HydrophobicContact CD1-CZ2 4.46Å
145N84.3Confident84.2Confident0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-62.4-44.4178.7-176.272.1000111.9V141 H142 G149 P335 L712V141-N145 VanDerWaalsContact O-CB 3.25Å; V141-N145 WeakPolarHBondContact O-CB 3.39Å; V141-N145 PolarHBondContact O-N 3.35Å; H142-N145 PolarHBondContact O-N 2.96Å; N145-G149 WeakPolarHBondContact O-CA 3.39Å; N145-G149 PolarHBondContact O-N 2.92Å; N145-P335 WeakPolarHBondContact OD1-CD 3.3Å; N145-L712 HydrophobicContact CB-CD1 3.85Å; N145-L712 HydrophobicContact CB-CD2 3.99Å
146E85.3Confident84.9Confident9 Ų925.9 Ų25.94%0.04214%0.137CC..Hα-helixtrans-67.4-44.8178.2-68.1-57.6125.900111.9H142 M143 G149 K150 L327 G331 A332H142-E146 PolarHBondContact O-N 2.8Å; M143-E146 PolarHBondContact O-N 3.05Å; E146-G149 PolarHBondContact O-N 2.99Å; E146-K150 PolarHBondContact O-N 3.22Å; E146-L327 HydrophobicContact CB-CB 3.7Å; E146-L327 HydrophobicContact CB-CD1 4.4Å; E146-L327 HydrophobicContact CG-CB 4.19Å; E146-G331 PolarHBondContact OE2-N 3.06Å; E146-A332 VanDerWaalsContact OE2-CB 3.29Å; E146-A332 WeakPolarHBondContact OE2-CB 3.4Å; E146-A332 PolarHBondContact OE2-N 2.76Å
147L86.9Confident85.7Confident2 Ų229.1 Ų29.11%0.0115%0.147CC..Hα-helixtrans-65.3-51.6-179.1-175.761.4000111.8I125 M143 L144 G149 K150 F151 I198 L327 W330I125-L147 HydrophobicContact CD1-CD2 3.45Å; I125-L147 VanDerWaalsContact CD1-CD2 3.45Å; M143-L147 VanDerWaalsContact O-CB 3.3Å; M143-L147 WeakPolarHBondContact O-CB 3.37Å; M143-L147 PolarHBondContact O-N 2.97Å; L144-L147 PolarHBondContact O-N 3.37Å; L147-G149 VanDerWaalsContact C-N 3.3Å; L147-G149 PolarHBondContact O-N 3.3Å; L147-K150 WeakPolarHBondContact O-CB 3.41Å; L147-K150 PolarHBondContact O-N 3.05Å; L147-F151 HydrophobicContact CD1-CE1 4.02Å; L147-F151 HydrophobicContact CD1-CE2 4.31Å; L147-F151 HydrophobicContact CD1-CZ 3.77Å; L147-F151 HydrophobicContact CD2-CE2 4.49Å; L147-F151 HydrophobicContact CG-CE2 4.04Å; L147-F151 HydrophobicContact CG-CZ 4.01Å; L147-F151 PolarHBondContact O-N 3.5Å; L147-I198 HydrophobicContact CD1-CD1 3.79Å; L147-I198 HydrophobicContact CD2-CD1 4.29Å; L147-L327 HydrophobicContact CB-CD1 4.44Å; L147-W330 HydrophobicContact CD1-CH2 4.25Å; L147-W330 HydrophobicContact CD1-CZ3 3.89Å
148F88.4Confident86.6Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-71-27.7178.1-64.3-37.6000112.4I125 L144 K150 F151 D152 I165 Y170 I845I125-F148 HydrophobicContact CD1-CE1 4.29Å; L144-F148 HydrophobicContact CB-CD2 4.16Å; L144-F148 HydrophobicContact CB-CE2 4.24Å; L144-F148 HydrophobicContact CD2-CD2 4.2Å; L144-F148 HydrophobicContact CD2-CE2 3.56Å; L144-F148 HydrophobicContact CD2-CZ 3.93Å; L144-F148 HydrophobicContact CG-CE2 4.34Å; L144-F148 VanDerWaalsContact O-CB 3.27Å; L144-F148 WeakPolarHBondContact O-CB 3.38Å; L144-F148 WeakPolarHBondContact O-CD2 3.35Å; L144-F148 WeakPolarHBondContact O-CG 3.29Å; L144-F148 PolarHBondContact O-N 2.85Å; F148-K150 VanDerWaalsContact C-N 3.32Å; F148-F151 AromaticContact CD1-CD2 3.75Å; F148-F151 HydrophobicContact CD1-CD2 3.75Å; F148-F151 HydrophobicContact CD1-CE2 4.2Å; F148-F151 HydrophobicContact CE1-CD2 4.27Å; F148-F151 HydrophobicContact CE1-CE2 4.37Å; F148-F151 PolarHBondContact O-N 3.5Å; F148-D152 WeakPolarHBondContact O-CB 3.42Å; F148-D152 PolarHBondContact O-N 2.83Å; F148-I165 HydrophobicContact CB-CD1 4.15Å; F148-I165 HydrophobicContact CD2-CD1 3.69Å; F148-I165 HydrophobicContact CD2-CG2 4.29Å; F148-I165 HydrophobicContact CE2-CD1 4.11Å; F148-I165 HydrophobicContact CE2-CG2 3.59Å; F148-I165 HydrophobicContact CG-CD1 3.9Å; F148-I165 HydrophobicContact CZ-CG2 3.74Å; F148-Y170 AromaticContact CD1-CD2 3.76Å; F148-Y170 HydrophobicContact CD1-CD2 3.76Å; F148-Y170 HydrophobicContact CD1-CE2 4.47Å; F148-Y170 HydrophobicContact CE1-CD2 4.23Å; F148-Y170 HydrophobicContact CG-CD2 4.43Å; F148-I845 HydrophobicContact CD2-CD1 3.84Å; F148-I845 HydrophobicContact CE2-CD1 3.99Å
149G85.6Confident87.5Confident12 Ų1232.2 Ų32.212%0.12415%0.152CC..Hα-helixtrans-63.1-38.4169.600000112.3N145 E146 L147 D152 Q153N145-G149 WeakPolarHBondContact O-CA 3.39Å; N145-G149 PolarHBondContact O-N 2.92Å; E146-G149 PolarHBondContact O-N 2.99Å; L147-G149 VanDerWaalsContact C-N 3.3Å; L147-G149 PolarHBondContact O-N 3.3Å; G149-D152 PolarHBondContact O-N 3.36Å; G149-Q153 PolarHBondContact O-N 3.03Å; G149-Q153 VanDerWaalsContact O-N 3.12Å
150K87.9Confident88Confident60 Ų6030.1 Ų30.126%0.26114%0.143SC..Hα-helixtrans-67-40171.6-173.267.4-171170.20112.1E146 L147 F148 Q153 I154 W330E146-K150 PolarHBondContact O-N 3.22Å; L147-K150 WeakPolarHBondContact O-CB 3.41Å; L147-K150 PolarHBondContact O-N 3.05Å; F148-K150 VanDerWaalsContact C-N 3.32Å; K150-Q153 WeakPolarHBondContact O-CB 3.43Å; K150-Q153 PolarHBondContact O-N 3.2Å; K150-I154 HydrophobicContact CG-CD1 4.31Å; K150-I154 WeakPolarHBondContact O-CG1 3.44Å; K150-I154 PolarHBondContact O-N 2.93Å; K150-W330 HydrophobicContact CB-CD2 4.38Å; K150-W330 HydrophobicContact CB-CE3 3.41Å; K150-W330 VanDerWaalsContact CB-CE3 3.41Å; K150-W330 HydrophobicContact CB-CH2 4.4Å; K150-W330 HydrophobicContact CB-CZ3 3.42Å; K150-W330 VanDerWaalsContact CB-CZ3 3.42Å; K150-W330 HydrophobicContact CD-CD2 4.4Å; K150-W330 HydrophobicContact CD-CE3 4.19Å; K150-W330 HydrophobicContact CD-CZ3 4.49Å; K150-W330 HydrophobicContact CG-CD2 4.31Å; K150-W330 HydrophobicContact CG-CE3 3.69Å; K150-W330 HydrophobicContact CG-CH2 4.1Å; K150-W330 HydrophobicContact CG-CZ3 3.57Å
151F91.4Very high88.4Confident0 Ų031.7 Ų31.70%015%0.151CC..Hα-helixtrans-65.9-37.1175.4-66.2-11.3000112.5L147 F148 Q153 I154 A155 Y170 M194 A197 I198 M211L147-F151 HydrophobicContact CD1-CE1 4.02Å; L147-F151 HydrophobicContact CD1-CE2 4.31Å; L147-F151 HydrophobicContact CD1-CZ 3.77Å; L147-F151 HydrophobicContact CD2-CE2 4.49Å; L147-F151 HydrophobicContact CG-CE2 4.04Å; L147-F151 HydrophobicContact CG-CZ 4.01Å; L147-F151 PolarHBondContact O-N 3.5Å; F148-F151 AromaticContact CD1-CD2 3.75Å; F148-F151 HydrophobicContact CD1-CD2 3.75Å; F148-F151 HydrophobicContact CD1-CE2 4.2Å; F148-F151 HydrophobicContact CE1-CD2 4.27Å; F148-F151 HydrophobicContact CE1-CE2 4.37Å; F148-F151 PolarHBondContact O-N 3.5Å; F151-Q153 VanDerWaalsContact C-N 3.28Å; F151-Q153 PolarHBondContact O-N 3.42Å; F151-I154 HydrophobicContact CD1-CD1 4.28Å; F151-I154 PolarHBondContact O-N 3.27Å; F151-A155 VanDerWaalsContact O-CB 3.3Å; F151-A155 WeakPolarHBondContact O-CB 3.43Å; F151-A155 PolarHBondContact O-N 2.74Å; F151-Y170 HydrophobicContact CB-CD2 3.99Å; F151-Y170 HydrophobicContact CB-CE1 4.46Å; F151-Y170 HydrophobicContact CB-CE2 3.69Å; F151-Y170 HydrophobicContact CB-CG 4.47Å; F151-Y170 AromaticContact CD2-CD2 3.97Å; F151-Y170 HydrophobicContact CD2-CD2 3.97Å; F151-Y170 HydrophobicContact CD2-CG 4.16Å; F151-M194 HydrophobicContact CB-CE 3.63Å; F151-M194 HydrophobicContact CD1-CE 4.13Å; F151-M194 HydrophobicContact CD1-CG 4.2Å; F151-M194 HydrophobicContact CD2-CE 3.9Å; F151-M194 HydrophobicContact CE1-CG 4.37Å; F151-M194 HydrophobicContact CG-CE 3.64Å; F151-A197 HydrophobicContact CE1-CB 4.5Å; F151-I198 HydrophobicContact CE1-CG1 4.39Å; F151-I198 HydrophobicContact CZ-CD1 3.92Å; F151-I198 HydrophobicContact CZ-CG1 3.92Å; F151-M211 HydrophobicContact CD2-CE 4.26Å; F151-M211 HydrophobicContact CE2-CE 3.39Å; F151-M211 HydrophobicContact CE2-SD 4.39Å; F151-M211 HydrophobicContact CZ-CE 3.55Å; F151-M211 HydrophobicContact CZ-SD 3.94Å
152D89.3Confident88.9Confident8 Ų832.3 Ų32.34%0.04315%0.153CC..Hα-helixtrans-61.2-38.3172.3-71.4-9.8000111.6F148 G149 K156 R162 Y170F148-D152 WeakPolarHBondContact O-CB 3.42Å; F148-D152 PolarHBondContact O-N 2.83Å; G149-D152 PolarHBondContact O-N 3.36Å; D152-K156 WeakPolarHBondContact O-CB 3.42Å; D152-K156 PolarHBondContact O-N 3.47Å; D152-R162 WeakPolarHBondContact OD1-CD 3.3Å; D152-R162 IonicContact OD1-CZ 2.98Å; D152-R162 IonicContact OD1-NE 3.53Å; D152-R162 IonicContact OD1-NH1 3.6Å; D152-R162 PolarHBondContact OD1-NH1 3Å; D152-R162 IonicContact OD2-CZ 3.7Å; D152-R162 IonicContact OD2-NH1 3.88Å; D152-R162 PolarHBondContact OD2-NH1 3.16Å; D152-Y170 WeakPolarHBondContact OD1-CE2 3.49Å; D152-Y170 PolarHBondContact OD1-OH 2.89Å
153Q88.6Confident89.2Confident81 Ų8130.9 Ų30.938%0.37915%0.147SC..Hα-helixtrans-63.6-49.5173.1-175.4-174.46.300111.2G149 K150 F151 A155 K156 E157G149-Q153 PolarHBondContact O-N 3.03Å; G149-Q153 VanDerWaalsContact O-N 3.12Å; K150-Q153 WeakPolarHBondContact O-CB 3.43Å; K150-Q153 PolarHBondContact O-N 3.2Å; F151-Q153 VanDerWaalsContact C-N 3.28Å; F151-Q153 PolarHBondContact O-N 3.42Å; Q153-A155 VanDerWaalsContact C-N 3.29Å; Q153-A155 PolarHBondContact O-N 3.16Å; Q153-K156 PolarHBondContact O-N 2.84Å; Q153-E157 HydrophobicContact CG-CG 4.47Å; Q153-E157 VanDerWaalsContact CG-OE1 3.3Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.35Å; Q153-E157 PolarHBondContact NE2-OE1 3.41Å; Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 3.3Å
154I92.6Very high89.4Confident8 Ų831.1 Ų31.14%0.04115%0.148CC..Hα-helixtrans-61.2-40.2179.1-65.6169.5000110.8K150 F151 E157 N158 M190 D193 M194 A197K150-I154 HydrophobicContact CG-CD1 4.31Å; K150-I154 WeakPolarHBondContact O-CG1 3.44Å; K150-I154 PolarHBondContact O-N 2.93Å; F151-I154 HydrophobicContact CD1-CD1 4.28Å; F151-I154 PolarHBondContact O-N 3.27Å; I154-E157 PolarHBondContact O-N 3.16Å; I154-N158 WeakPolarHBondContact O-CB 3.39Å; I154-N158 PolarHBondContact O-N 3.44Å; I154-N158 VanDerWaalsContact O-N 3.09Å; I154-N158 PolarHBondContact O-ND2 2.67Å; I154-M190 HydrophobicContact CG2-CG 4.09Å; I154-D193 HydrophobicContact CG2-CB 3.74Å; I154-M194 HydrophobicContact CG2-CG 4.36Å; I154-A197 HydrophobicContact CD1-CB 4Å
155A92.3Very high89.6Confident3 Ų331.1 Ų31.13%0.02515%0.148CC..Hα-helixtrans-61.8-46176.700000110.9F151 Q153 N158 E159 C160 M190F151-A155 VanDerWaalsContact O-CB 3.3Å; F151-A155 WeakPolarHBondContact O-CB 3.43Å; F151-A155 PolarHBondContact O-N 2.74Å; Q153-A155 VanDerWaalsContact C-N 3.29Å; Q153-A155 PolarHBondContact O-N 3.16Å; A155-N158 CarbonylContact O-C 3.55Å; A155-N158 PolarHBondContact O-N 3.41Å; A155-E159 PolarHBondContact O-N 2.94Å; A155-C160 CarbonylContact C-O 3.54Å; A155-C160 HydrophobicContact CB-CB 4.32Å; A155-C160 PolarHBondContact O-N 2.82Å; A155-M190 HydrophobicContact CB-CE 3.61Å; A155-M190 HydrophobicContact CB-SD 4.02Å
156K89.9Confident89.6Confident149 Ų14933.3 Ų33.365%0.64816%0.159SC*.Hα-helixtrans-63.5-42.8176.9-174177.5-179.7179.40112.6D152 Q153 N158 E159D152-K156 WeakPolarHBondContact O-CB 3.42Å; D152-K156 PolarHBondContact O-N 3.47Å; Q153-K156 PolarHBondContact O-N 2.84Å; K156-N158 PolarHBondContact O-N 2.83Å; K156-E159 PolarHBondContact O-N 3.35Å
157E92.6Very high89.3Confident116 Ų11634.1 Ų34.154%0.54217%0.17SC..Hα-helixtrans-65.4-23.6178.1-73.9171.8-173.100113Q153 I154Q153-E157 HydrophobicContact CG-CG 4.47Å; Q153-E157 VanDerWaalsContact CG-OE1 3.3Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.35Å; Q153-E157 PolarHBondContact NE2-OE1 3.41Å; Q153-E157 WeakPolarHBondContact O-CG 3.43Å; Q153-E157 PolarHBondContact O-N 3.3Å; I154-E157 PolarHBondContact O-N 3.16Å
158N94.2Very high89.1Confident5 Ų535.8 Ų35.83%0.02718%0.179CC..THydrogen-bonded Turntrans-107.613.2178.8-69.9-68.8000113.3I154 A155 K156 C160 N186 K189 M190 D193I154-N158 WeakPolarHBondContact O-CB 3.39Å; I154-N158 PolarHBondContact O-N 3.44Å; I154-N158 VanDerWaalsContact O-N 3.09Å; I154-N158 PolarHBondContact O-ND2 2.67Å; A155-N158 CarbonylContact O-C 3.55Å; A155-N158 PolarHBondContact O-N 3.41Å; K156-N158 PolarHBondContact O-N 2.83Å; N158-C160 PolarHBondContact O-N 3.44Å; N158-N186 VanDerWaalsContact O-CB 3.22Å; N158-N186 WeakPolarHBondContact O-CB 3.48Å; N158-K189 WeakPolarHBondContact OD1-CD 3.48Å; N158-K189 VanDerWaalsContact OD1-CE 3.26Å; N158-K189 WeakPolarHBondContact OD1-CE 3.36Å; N158-K189 WeakPolarHBondContact OD1-CG 3.47Å; N158-K189 PolarHBondContact OD1-NZ 3.03Å; N158-M190 HydrophobicContact CB-CB 3.91Å; N158-D193 PolarHBondContact ND2-OD2 2.97Å
159E93.3Very high89.1Confident119 Ų11936.3 Ų36.356%0.55618%0.183SC*.THydrogen-bonded Turntrans53.640.9179.4-54.1175.9153.500113.3A155 K156 S174 L180 N186A155-E159 PolarHBondContact O-N 2.94Å; K156-E159 PolarHBondContact O-N 3.35Å; E159-S174 PolarHBondContact O-OG 2.99Å; E159-S174 VanDerWaalsContact O-OG 3.11Å; E159-L180 HydrophobicContact CB-CD1 3.99Å; E159-N186 PolarHBondContact OE2-ND2 3.35Å; E159-N186 VanDerWaalsContact OE2-ND2 3.11Å
160C93.1Very high89.4Confident10 Ų1035.8 Ų35.87%0.06818%0.177CC..EExtended strand (participates in β ladder)trans-107.6132.2173-64.80000109.4A155 N158 C172 M190A155-C160 CarbonylContact C-O 3.54Å; A155-C160 HydrophobicContact CB-CB 4.32Å; A155-C160 PolarHBondContact O-N 2.82Å; N158-C160 PolarHBondContact O-N 3.44Å; C160-C172 HydrophobicContact CB-CB 4.47Å; C160-M190 HydrophobicContact CB-CE 4.49Å; C160-M190 HydrophobicContact CB-SD 3.33Å; C160-M190 WeakPolarHBondContact CB-SD 3.48Å
161M90.5Very high89.6Confident39 Ų3933 Ų3319%0.19217%0.165CC..EExtended strand (participates in β ladder)trans-89123.4173.9-179.8176.8-65.800109.9I163 C172 V173 P177 Y232 K849M161-I163 HydrophobicContact CG-CD1 4.35Å; M161-I163 PolarHBondContact O-N 3.11Å; M161-I163 HydrophobicContact SD-CD1 4.39Å; M161-C172 CarbonylContact O-C 3.54Å; M161-C172 VanDerWaalsContact O-CA 3.23Å; M161-C172 WeakPolarHBondContact O-CA 3.44Å; M161-C172 VanDerWaalsContact O-CB 3.27Å; M161-C172 WeakPolarHBondContact O-CB 3.34Å; M161-V173 PolarHBondContact N-O 3.09Å; M161-V173 PolarHBondContact O-N 2.92Å; M161-P177 VanDerWaalsContact CE-CD 3.49Å; M161-P177 HydrophobicContact CE-CG 4.23Å; M161-Y232 HydrophobicContact SD-CD1 4.45Å; M161-Y232 HydrophobicContact SD-CE1 4.01Å; M161-K849 PolarHBondContact SD-NZ 3.36Å; M161-K849 VanDerWaalsContact SD-NZ 3.45Å
162R90.9Very high89.7Confident13 Ų1333 Ų335%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-64.7127.8164.8-172.7179.375.9-168.58.9110.1D152 Y170 K849D152-R162 WeakPolarHBondContact OD1-CD 3.3Å; D152-R162 IonicContact OD1-CZ 2.98Å; D152-R162 IonicContact OD1-NE 3.53Å; D152-R162 IonicContact OD1-NH1 3.6Å; D152-R162 PolarHBondContact OD1-NH1 3Å; D152-R162 IonicContact OD2-CZ 3.7Å; D152-R162 IonicContact OD2-NH1 3.88Å; D152-R162 PolarHBondContact OD2-NH1 3.16Å; R162-Y170 HydrophobicContact CB-CE1 4.39Å; R162-Y170 WeakPolarHBondContact CB-OH 3.33Å; R162-Y170 VanDerWaalsContact CD-CE2 3.47Å; R162-Y170 VanDerWaalsContact CD-CZ 3.5Å; R162-Y170 WeakPolarHBondContact CD-OH 3.31Å; R162-Y170 HydrophobicContact CG-CE1 4.1Å; R162-Y170 HydrophobicContact CG-CE2 4.12Å; R162-K849 VanDerWaalsContact NH2-C 3.29Å; R162-K849 PolarHBondContact NH2-O 3.2Å; R162-K849 PolarHBondContact O-NZ 3.5Å
163I89.8Confident90Very high15 Ų1532.6 Ų32.68%0.07716%0.163CC..EExtended strand (participates in β ladder)trans-91.7-59.4171.9-55.1-56000109M161 Y171 V173 L176 Y232 V234M161-I163 HydrophobicContact CG-CD1 4.35Å; M161-I163 PolarHBondContact O-N 3.11Å; M161-I163 HydrophobicContact SD-CD1 4.39Å; I163-Y171 HydrophobicContact CB-CD1 3.54Å; I163-Y171 HydrophobicContact CB-CE1 3.61Å; I163-Y171 HydrophobicContact CB-CG 4.47Å; I163-Y171 HydrophobicContact CG1-CD1 4.2Å; I163-Y171 HydrophobicContact CG1-CE1 3.87Å; I163-Y171 HydrophobicContact CG2-CD1 3.86Å; I163-Y171 HydrophobicContact CG2-CE1 3.68Å; I163-Y171 PolarHBondContact N-O 2.93Å; I163-V173 HydrophobicContact CD1-CB 4.36Å; I163-V173 HydrophobicContact CD1-CG2 4.2Å; I163-V173 HydrophobicContact CG1-CB 4.26Å; I163-V173 HydrophobicContact CG1-CG2 3.69Å; I163-L176 HydrophobicContact CD1-CD1 4.39Å; I163-Y232 HydrophobicContact CD1-CD1 4.24Å; I163-Y232 HydrophobicContact CD1-CE1 4.03Å; I163-V234 HydrophobicContact CD1-CG1 4.16Å; I163-V234 HydrophobicContact CG1-CG1 4.45Å; I163-V234 HydrophobicContact CG2-CG2 4.39Å
164K87.2Confident90.4Very high4 Ų428.8 Ų28.82%0.01715%0.145CC..EExtended strand (participates in β ladder)trans-153.3162.7-172.4-160.2158.5176.7161.90112.8L166 Y171 D233 T774K164-L166 HydrophobicContact CD-CD2 3.82Å; K164-L166 HydrophobicContact CG-CD2 3.95Å; K164-L166 HydrophobicContact CG-CG 4.37Å; K164-Y171 HydrophobicContact CB-CD1 4.43Å; K164-Y171 PolarHBondContact N-O 2.88Å; K164-Y171 WeakPolarHBondContact O-CB 3.28Å; K164-Y171 PolarHBondContact O-N 2.7Å; K164-Y171 VanDerWaalsContact O-N 3.1Å; K164-D233 IonicContact NZ-OD2 3.89Å; K164-T774 PolarHBondContact NZ-O 3.44Å
165I86.8Confident90.3Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-112.8126.3165-60.3171.4000107.4F148 G167 Y170 K773 I845F148-I165 HydrophobicContact CB-CD1 4.15Å; F148-I165 HydrophobicContact CD2-CD1 3.69Å; F148-I165 HydrophobicContact CD2-CG2 4.29Å; F148-I165 HydrophobicContact CE2-CD1 4.11Å; F148-I165 HydrophobicContact CE2-CG2 3.59Å; F148-I165 HydrophobicContact CG-CD1 3.9Å; F148-I165 HydrophobicContact CZ-CG2 3.74Å; I165-G167 WeakPolarHBondContact CG2-O 3.4Å; I165-Y170 HydrophobicContact CD1-CD2 4.46Å; I165-Y170 HydrophobicContact CG1-CD2 4.23Å; I165-K773 PolarHBondContact O-NZ 3.5Å; I165-I845 HydrophobicContact CB-CD1 4.29Å; I165-I845 HydrophobicContact CD1-CD1 3.61Å; I165-I845 HydrophobicContact CD1-CG1 4.47Å; I165-I845 HydrophobicContact CG2-CD1 4.03Å
166L84.4Confident90.2Very high46 Ų4628.9 Ų28.924%0.24115%0.145CC..EExtended strand (participates in β ladder)trans-11984.9-177.8-63.2177.6000108.2Y122 K164 D168 C169 I775Y122-L166 HydrophobicContact CE1-CD1 4.48Å; K164-L166 HydrophobicContact CD-CD2 3.82Å; K164-L166 HydrophobicContact CG-CD2 3.95Å; K164-L166 HydrophobicContact CG-CG 4.37Å; L166-D168 PolarHBondContact O-N 2.88Å; L166-C169 HydrophobicContact CB-CB 4.41Å; L166-C169 PolarHBondContact N-O 2.86Å; L166-C169 WeakPolarHBondContact O-CB 3.4Å; L166-C169 PolarHBondContact O-N 3.44Å; L166-C169 VanDerWaalsContact O-N 3.08Å; L166-I775 HydrophobicContact CD1-CG2 4.44Å; L166-I775 HydrophobicContact CD2-CD1 4.08Å; L166-I775 HydrophobicContact CD2-CG1 4.02Å; L166-I775 HydrophobicContact CD2-CG2 4.26Å
167G79.4Confident89.7Confident27 Ų2723.9 Ų23.928%0.27813%0.128SC..THydrogen-bonded Turntrans66.7-117-172.300000111.1I165I165-G167 WeakPolarHBondContact CG2-O 3.4Å
168D83.1Confident89.4Confident36 Ų3625.4 Ų25.419%0.19314%0.135CC..THydrogen-bonded Turntrans-88.8-5.9174.840.5-4.1000114.4F128 L166F128-D168 HydrophobicContact CB-CB 3.97Å; F128-D168 HydrophobicContact CD1-CB 3.54Å; F128-D168 HydrophobicContact CE1-CB 4.27Å; F128-D168 HydrophobicContact CG-CB 3.86Å; L166-D168 PolarHBondContact O-N 2.88Å
169C88.8Confident89.1Confident12 Ų1228.9 Ų28.98%0.08116%0.16CC..EExtended strand (participates in β ladder)trans-88.4126.8177.9-170.10000111.9A123 L166A123-C169 CarbonylContact O-C 3.02Å; A123-C169 WeakPolarHBondContact O-CA 3.35Å; L166-C169 HydrophobicContact CB-CB 4.41Å; L166-C169 PolarHBondContact N-O 2.86Å; L166-C169 WeakPolarHBondContact O-CB 3.4Å; L166-C169 PolarHBondContact O-N 3.44Å; L166-C169 VanDerWaalsContact O-N 3.08Å
170Y92.3Very high89Confident0 Ų025.4 Ų25.40%015%0.145CC..EExtended strand (participates in β ladder)trans-98124.8172.4-168.4-80.9000110.2A123 F148 F151 D152 R162 I165 C172 M190 M194A123-Y170 PolarHBondContact N-O 3.25Å; A123-Y170 PolarHBondContact O-N 2.89Å; F148-Y170 AromaticContact CD1-CD2 3.76Å; F148-Y170 HydrophobicContact CD1-CD2 3.76Å; F148-Y170 HydrophobicContact CD1-CE2 4.47Å; F148-Y170 HydrophobicContact CE1-CD2 4.23Å; F148-Y170 HydrophobicContact CG-CD2 4.43Å; F151-Y170 HydrophobicContact CB-CD2 3.99Å; F151-Y170 HydrophobicContact CB-CE1 4.46Å; F151-Y170 HydrophobicContact CB-CE2 3.69Å; F151-Y170 HydrophobicContact CB-CG 4.47Å; F151-Y170 AromaticContact CD2-CD2 3.97Å; F151-Y170 HydrophobicContact CD2-CD2 3.97Å; F151-Y170 HydrophobicContact CD2-CG 4.16Å; D152-Y170 WeakPolarHBondContact OD1-CE2 3.49Å; D152-Y170 PolarHBondContact OD1-OH 2.89Å; R162-Y170 HydrophobicContact CB-CE1 4.39Å; R162-Y170 WeakPolarHBondContact CB-OH 3.33Å; R162-Y170 VanDerWaalsContact CD-CE2 3.47Å; R162-Y170 VanDerWaalsContact CD-CZ 3.5Å; R162-Y170 WeakPolarHBondContact CD-OH 3.31Å; R162-Y170 HydrophobicContact CG-CE1 4.1Å; R162-Y170 HydrophobicContact CG-CE2 4.12Å; I165-Y170 HydrophobicContact CD1-CD2 4.46Å; I165-Y170 HydrophobicContact CG1-CD2 4.23Å; Y170-C172 HydrophobicContact CE1-CB 4.15Å; Y170-M190 HydrophobicContact CD1-CE 4.29Å; Y170-M190 HydrophobicContact CE1-CE 3.76Å; Y170-M194 HydrophobicContact CD1-CE 3.49Å; Y170-M194 VanDerWaalsContact CD1-CE 3.49Å; Y170-M194 HydrophobicContact CE1-CE 3.76Å; Y170-M194 HydrophobicContact CG-CE 4.01Å
171Y91.4Very high88.9Confident2 Ų230.5 Ų30.51%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-120.6122.9-172.6176.5-128000112.5I120 L121 Y122 I163 K164 V173 V234 V239I120-Y171 HydrophobicContact CG2-CE2 3.4Å; I120-Y171 VanDerWaalsContact CG2-CE2 3.4Å; I120-Y171 WeakPolarHBondContact CG2-OH 3.4Å; L121-Y171 WeakPolarHBondContact O-CD2 3.44Å; Y122-Y171 AromaticContact CD1-CD2 3.73Å; Y122-Y171 HydrophobicContact CD1-CD2 3.73Å; Y122-Y171 HydrophobicContact CD1-CE2 4.43Å; Y122-Y171 HydrophobicContact CD1-CG 4.26Å; Y122-Y171 AromaticContact CD2-CD2 3.72Å; Y122-Y171 HydrophobicContact CD2-CD2 3.72Å; Y122-Y171 AromaticContact CD2-CE2 3.71Å; Y122-Y171 HydrophobicContact CD2-CE2 3.71Å; Y122-Y171 HydrophobicContact CE1-CD1 4.49Å; Y122-Y171 AromaticContact CE1-CD2 3.47Å; Y122-Y171 HydrophobicContact CE1-CD2 3.47Å; Y122-Y171 VanDerWaalsContact CE1-CD2 3.47Å; Y122-Y171 AromaticContact CE1-CE2 3.98Å; Y122-Y171 HydrophobicContact CE1-CE2 3.98Å; Y122-Y171 AromaticContact CE1-CG 3.79Å; Y122-Y171 HydrophobicContact CE1-CG 3.79Å; Y122-Y171 AromaticContact CE2-CD2 3.48Å; Y122-Y171 HydrophobicContact CE2-CD2 3.48Å; Y122-Y171 VanDerWaalsContact CE2-CD2 3.48Å; Y122-Y171 AromaticContact CE2-CE2 3.18Å; Y122-Y171 HydrophobicContact CE2-CE2 3.18Å; Y122-Y171 HydrophobicContact CE2-CG 4.47Å; Y122-Y171 AromaticContact CE2-CZ 3.98Å; Y122-Y171 AromaticContact CG-CD2 3.85Å; Y122-Y171 HydrophobicContact CG-CD2 3.85Å; Y122-Y171 HydrophobicContact CG-CE2 4.31Å; Y122-Y171 AromaticContact CZ-CD2 3.33Å; Y122-Y171 AromaticContact CZ-CE2 3.31Å; Y122-Y171 AromaticContact CZ-CG 3.91Å; Y122-Y171 AromaticContact CZ-CZ 3.87Å; I163-Y171 HydrophobicContact CB-CD1 3.54Å; I163-Y171 HydrophobicContact CB-CE1 3.61Å; I163-Y171 HydrophobicContact CB-CG 4.47Å; I163-Y171 HydrophobicContact CG1-CD1 4.2Å; I163-Y171 HydrophobicContact CG1-CE1 3.87Å; I163-Y171 HydrophobicContact CG2-CD1 3.86Å; I163-Y171 HydrophobicContact CG2-CE1 3.68Å; I163-Y171 PolarHBondContact N-O 2.93Å; K164-Y171 HydrophobicContact CB-CD1 4.43Å; K164-Y171 PolarHBondContact N-O 2.88Å; K164-Y171 WeakPolarHBondContact O-CB 3.28Å; K164-Y171 PolarHBondContact O-N 2.7Å; K164-Y171 VanDerWaalsContact O-N 3.1Å; Y171-V173 HydrophobicContact CE2-CG2 4.44Å; Y171-V234 HydrophobicContact CE1-CG2 3.61Å; Y171-V234 WeakPolarHBondContact OH-CG2 3.42Å; Y171-V239 WeakPolarHBondContact OH-CG1 3.22Å
172C93.7Very high89Confident0 Ų032.9 Ų32.90%019%0.191CC..EExtended strand (participates in β ladder)trans-140.4161.3-179.972.90000114L121 C160 M161 Y170 M190L121-C172 PolarHBondContact N-O 3.21Å; L121-C172 PolarHBondContact O-N 2.8Å; C160-C172 HydrophobicContact CB-CB 4.47Å; M161-C172 CarbonylContact O-C 3.54Å; M161-C172 VanDerWaalsContact O-CA 3.23Å; M161-C172 WeakPolarHBondContact O-CA 3.44Å; M161-C172 VanDerWaalsContact O-CB 3.27Å; M161-C172 WeakPolarHBondContact O-CB 3.34Å; Y170-C172 HydrophobicContact CE1-CB 4.15Å; C172-M190 HydrophobicContact CB-CE 4.1Å; C172-M190 WeakPolarHBondContact SG-CE 3.35Å; C172-M190 PolarHBondContact SG-SD 2.9Å
173V95.5Very high89.3Confident0 Ų032.7 Ų32.70%019%0.191CC..EExtended strand (participates in β ladder)trans-134.7135.3178.8-178.50000109.7V118 S119 I120 M161 I163 Y171 L176 V234V118-V173 HydrophobicContact CB-CG1 3.91Å; V118-V173 HydrophobicContact CG2-CG1 4.19Å; S119-V173 CarbonylContact O-C 3.47Å; S119-V173 VanDerWaalsContact O-CA 3.26Å; S119-V173 WeakPolarHBondContact O-CA 3.43Å; S119-V173 WeakPolarHBondContact O-CG1 3.38Å; I120-V173 HydrophobicContact CG1-CG2 4.29Å; I120-V173 HydrophobicContact CG2-CG2 4.42Å; M161-V173 PolarHBondContact N-O 3.09Å; M161-V173 PolarHBondContact O-N 2.92Å; I163-V173 HydrophobicContact CD1-CB 4.36Å; I163-V173 HydrophobicContact CD1-CG2 4.2Å; I163-V173 HydrophobicContact CG1-CB 4.26Å; I163-V173 HydrophobicContact CG1-CG2 3.69Å; Y171-V173 HydrophobicContact CE2-CG2 4.44Å; V173-L176 HydrophobicContact CB-CD1 3.97Å; V173-L176 HydrophobicContact CB-CG 4.44Å; V173-L176 HydrophobicContact CG1-CB 4.41Å; V173-L176 HydrophobicContact CG1-CD1 3.61Å; V173-L176 HydrophobicContact CG1-CG 3.75Å; V173-L176 HydrophobicContact CG2-CD1 4.4Å; V173-V234 HydrophobicContact CG2-CG2 4.48Å
174S96.1Very high89.6Confident0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-101.9141.7167.2-165.60000110.1V118 S119 E159 H183 C187V118-S174 WeakPolarHBondContact CA-O 3.32Å; V118-S174 WeakPolarHBondContact CB-O 3.48Å; S119-S174 PolarHBondContact N-O 2.98Å; S119-S174 PolarHBondContact O-N 3.41Å; E159-S174 PolarHBondContact O-OG 2.99Å; E159-S174 VanDerWaalsContact O-OG 3.11Å; S174-H183 WeakPolarHBondContact CB-O 3.2Å; S174-C187 WeakPolarHBondContact CB-SG 3.17Å
175G91.9Very high89.9Confident0 Ų038 Ų380%021%0.21CC..SBendtrans92.315.8-171.700000114.7E178G175-E178 CarbonylContact C-O 3.52Å; G175-E178 WeakPolarHBondContact CA-O 3.37Å; G175-E178 CarbonylContact O-C 3.5Å; G175-E178 VanDerWaalsContact O-O 3.05Å
176L89.4Confident90.4Very high13 Ų1339.1 Ų39.17%0.06822%0.216CC..  trans-124.9143.7170.9-68.2-177.6000111.2H115 V118 I163 V173 V220 C222 V234H115-L176 HydrophobicContact CB-CD2 3.53Å; H115-L176 VanDerWaalsContact CD2-CD2 3.48Å; H115-L176 WeakPolarHBondContact CD2-CD2 3.33Å; V118-L176 HydrophobicContact CG1-CD2 4.15Å; V118-L176 HydrophobicContact CG1-CG 4.25Å; I163-L176 HydrophobicContact CD1-CD1 4.39Å; V173-L176 HydrophobicContact CB-CD1 3.97Å; V173-L176 HydrophobicContact CB-CG 4.44Å; V173-L176 HydrophobicContact CG1-CB 4.41Å; V173-L176 HydrophobicContact CG1-CD1 3.61Å; V173-L176 HydrophobicContact CG1-CG 3.75Å; V173-L176 HydrophobicContact CG2-CD1 4.4Å; L176-V220 HydrophobicContact CD1-CG2 4.17Å; L176-V220 HydrophobicContact CD2-CG2 4.19Å; L176-C222 HydrophobicContact CD1-CB 4.23Å; L176-V234 HydrophobicContact CD1-CG1 3.8Å
177P80.4Confident90.9Very high44 Ų4436.9 Ų36.929%0.28620%0.204SC..SBendcis-82.6-3.7-3.736.3-27.7000111.8H115 M161H115-P177 PolarHBondContact CE1-O 3.23Å; H115-P177 PolarHBondContact ND1-O 3.22Å; M161-P177 VanDerWaalsContact CE-CD 3.49Å; M161-P177 HydrophobicContact CE-CG 4.23Å
178E85.4Confident91.7Very high149 Ų14935.6 Ų35.670%0.69619%0.191SC*.SBendtrans-110.7136.6178.2-66177.5-171.500108.7G175 L180G175-E178 CarbonylContact C-O 3.52Å; G175-E178 WeakPolarHBondContact CA-O 3.37Å; G175-E178 CarbonylContact O-C 3.5Å; G175-E178 VanDerWaalsContact O-O 3.05Å; E178-L180 PolarHBondContact O-N 3.02Å
179S87.9Confident92.3Very high78 Ų7838.3 Ų38.355%0.54520%0.201SC..  trans-66.3132.3179.4-174.70000110.2
180L91.7Very high92.7Very high45 Ų4537.8 Ų37.824%0.23620%0.197CC..  trans-118.1130.4-179.6-66.7176.6000109.6E159 E178 N182 H183E159-L180 HydrophobicContact CB-CD1 3.99Å; E178-L180 PolarHBondContact O-N 3.02Å; L180-N182 PolarHBondContact O-N 3.46Å; L180-H183 WeakPolarHBondContact O-CB 3.42Å; L180-H183 PolarHBondContact O-CD2 3.12Å; L180-H183 PolarHBondContact O-N 3.41Å
181P90.7Very high92.8Very high117 Ų11737.8 Ų37.876%0.7620%0.197SC*.THydrogen-bonded Turntrans-67.7-23.6-177.926.5-34.7000113.6
182N93.3Very high93Very high90 Ų9038.4 Ų38.448%0.48120%0.201SC..THydrogen-bonded Turntrans-102.519.4-178.2-65-42.7000113L180 A184 R185 N186L180-N182 PolarHBondContact O-N 3.46Å; N182-A184 VanDerWaalsContact C-N 3.31Å; N182-A184 PolarHBondContact O-N 2.8Å; N182-R185 PolarHBondContact O-N 3.24Å; N182-N186 WeakPolarHBondContact O-CB 3.37Å; N182-N186 PolarHBondContact O-N 2.64Å
183H95.4Very high93.1Very high8 Ų840 Ų404%0.03721%0.209CC..Hα-helixtrans-48.6-46.4-174.16392.8000113.7N117 S119 S174 L180 N186 C187 H263N117-H183 PolarHBondContact O-CD2 3.04Å; N117-H183 VanDerWaalsContact O-CG 3.29Å; N117-H183 PolarHBondContact O-ND1 3.34Å; N117-H183 PolarHBondContact O-NE2 3.44Å; S119-H183 PolarHBondContact N-ND1 3.41Å; S119-H183 PolarHBondContact OG-ND1 3.02Å; S174-H183 WeakPolarHBondContact CB-O 3.2Å; L180-H183 WeakPolarHBondContact O-CB 3.42Å; L180-H183 PolarHBondContact O-CD2 3.12Å; L180-H183 PolarHBondContact O-N 3.41Å; H183-N186 PolarHBondContact O-N 2.7Å; H183-C187 PolarHBondContact O-N 3.08Å; H183-H263 AromaticContact CE1-CD2 3.53Å; H183-H263 AromaticContact NE2-CD2 3.45Å; H183-H263 PolarHBondContact NE2-CD2 2.74Å
184A95.9Very high93.1Very high2 Ų240 Ų402%0.01721%0.209CC..Hα-helixtrans-65.8-42179.800000113.2S119 N182 N186 C187 V188 T260 H263 L264S119-A184 WeakPolarHBondContact OG-CA 3.3Å; S119-A184 WeakPolarHBondContact OG-CB 3.4Å; S119-A184 PolarHBondContact OG-N 3.47Å; N182-A184 VanDerWaalsContact C-N 3.31Å; N182-A184 PolarHBondContact O-N 2.8Å; A184-N186 VanDerWaalsContact C-N 3.35Å; A184-C187 PolarHBondContact O-N 3.35Å; A184-V188 WeakPolarHBondContact O-CG2 3.31Å; A184-V188 PolarHBondContact O-N 2.94Å; A184-T260 HydrophobicContact CB-CG2 4.36Å; A184-H263 HydrophobicContact CB-CB 3.63Å; A184-L264 HydrophobicContact CB-CD2 4.09Å; A184-L264 HydrophobicContact CB-CG 4.5Å
185R95.5Very high93Very high130 Ų13040.6 Ų40.649%0.49121%0.214SC..Hα-helixtrans-65-42.5177.9-178.1179179.6-172.3-0111N182 K189 L264 Y268N182-R185 PolarHBondContact O-N 3.24Å; R185-K189 VanDerWaalsContact O-CB 3.25Å; R185-K189 WeakPolarHBondContact O-CB 3.49Å; R185-K189 PolarHBondContact O-N 3.25Å; R185-L264 HydrophobicContact CB-CD2 4.38Å; R185-Y268 HydrophobicContact CG-CE2 4.18Å
186N95.9Very high93Very high22 Ų2243.2 Ų43.212%0.11823%0.226CC..Hα-helixtrans-59.6-50.4177.4-78.13.3000111.3N158 E159 N182 H183 A184 K189 M190N158-N186 VanDerWaalsContact O-CB 3.22Å; N158-N186 WeakPolarHBondContact O-CB 3.48Å; E159-N186 PolarHBondContact OE2-ND2 3.35Å; E159-N186 VanDerWaalsContact OE2-ND2 3.11Å; N182-N186 WeakPolarHBondContact O-CB 3.37Å; N182-N186 PolarHBondContact O-N 2.64Å; H183-N186 PolarHBondContact O-N 2.7Å; A184-N186 VanDerWaalsContact C-N 3.35Å; N186-K189 PolarHBondContact O-N 3.15Å; N186-M190 WeakPolarHBondContact O-CB 3.31Å; N186-M190 PolarHBondContact O-N 3.09Å
187C95.9Very high93.1Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-62-46.8176.4-850000113.3S119 L121 S174 H183 A184 K189 M190 G191 V215S119-C187 VanDerWaalsContact CB-SG 3.59Å; S119-C187 PolarHBondContact O-SG 2.85Å; L121-C187 WeakPolarHBondContact CD1-O 3.42Å; S174-C187 WeakPolarHBondContact CB-SG 3.17Å; H183-C187 PolarHBondContact O-N 3.08Å; A184-C187 PolarHBondContact O-N 3.35Å; C187-K189 VanDerWaalsContact C-N 3.34Å; C187-K189 PolarHBondContact O-N 2.92Å; C187-M190 WeakPolarHBondContact O-CB 3.25Å; C187-M190 PolarHBondContact O-N 3.39Å; C187-G191 PolarHBondContact O-N 2.63Å; C187-V215 HydrophobicContact CB-CG1 3.92Å
188V96.3Very high93.7Very high0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-64.2-41-179.8169.50000111.4A184 G191 L192 V215 I256 T260 L264 Y268 V292A184-V188 WeakPolarHBondContact O-CG2 3.31Å; A184-V188 PolarHBondContact O-N 2.94Å; V188-G191 PolarHBondContact O-N 2.79Å; V188-L192 HydrophobicContact CG1-CD1 4.37Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.3Å; V188-L192 VanDerWaalsContact O-N 3.08Å; V188-V215 HydrophobicContact CG2-CG1 4.45Å; V188-I256 HydrophobicContact CG2-CG2 4Å; V188-T260 HydrophobicContact CG2-CG2 4.25Å; V188-L264 HydrophobicContact CB-CD2 4.32Å; V188-L264 HydrophobicContact CG2-CD1 4.13Å; V188-L264 HydrophobicContact CG2-CD2 4.07Å; V188-Y268 HydrophobicContact CB-CE2 4.43Å; V188-Y268 HydrophobicContact CG1-CD2 4.07Å; V188-Y268 HydrophobicContact CG1-CE2 3.99Å; V188-Y268 HydrophobicContact CG1-CG 4.42Å; V188-V292 HydrophobicContact CG1-CG1 4.06Å; V188-V292 HydrophobicContact CG1-CG2 3.95Å
189K95.8Very high93.9Very high93 Ų9338.3 Ų38.340%0.40420%0.199SC..Hα-helixtrans-61.7-46174.9-175.6179.9165.1-157.90111.6N158 R185 N186 C187 G191 L192 D193N158-K189 WeakPolarHBondContact OD1-CD 3.48Å; N158-K189 VanDerWaalsContact OD1-CE 3.26Å; N158-K189 WeakPolarHBondContact OD1-CE 3.36Å; N158-K189 WeakPolarHBondContact OD1-CG 3.47Å; N158-K189 PolarHBondContact OD1-NZ 3.03Å; R185-K189 VanDerWaalsContact O-CB 3.25Å; R185-K189 WeakPolarHBondContact O-CB 3.49Å; R185-K189 PolarHBondContact O-N 3.25Å; N186-K189 PolarHBondContact O-N 3.15Å; C187-K189 VanDerWaalsContact C-N 3.34Å; C187-K189 PolarHBondContact O-N 2.92Å; K189-G191 VanDerWaalsContact C-N 3.32Å; K189-G191 PolarHBondContact O-N 2.96Å; K189-L192 PolarHBondContact O-N 3.17Å; K189-L192 VanDerWaalsContact O-N 3.17Å; K189-D193 PolarHBondContact O-N 3.06Å
190M95.6Very high94Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-55.5-46.2174.1170.9171.417800111.9L121 I154 A155 N158 C160 Y170 C172 N186 C187 L192 D193 M194L121-M190 HydrophobicContact CD1-CB 4.47Å; L121-M190 HydrophobicContact CD1-CG 4.29Å; I154-M190 HydrophobicContact CG2-CG 4.09Å; A155-M190 HydrophobicContact CB-CE 3.61Å; A155-M190 HydrophobicContact CB-SD 4.02Å; N158-M190 HydrophobicContact CB-CB 3.91Å; C160-M190 HydrophobicContact CB-CE 4.49Å; C160-M190 HydrophobicContact CB-SD 3.33Å; C160-M190 WeakPolarHBondContact CB-SD 3.48Å; Y170-M190 HydrophobicContact CD1-CE 4.29Å; Y170-M190 HydrophobicContact CE1-CE 3.76Å; C172-M190 HydrophobicContact CB-CE 4.1Å; C172-M190 WeakPolarHBondContact SG-CE 3.35Å; C172-M190 PolarHBondContact SG-SD 2.9Å; N186-M190 WeakPolarHBondContact O-CB 3.31Å; N186-M190 PolarHBondContact O-N 3.09Å; C187-M190 WeakPolarHBondContact O-CB 3.25Å; C187-M190 PolarHBondContact O-N 3.39Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 3.46Å; M190-D193 PolarHBondContact O-N 3.16Å; M190-M194 HydrophobicContact CE-CE 3.23Å; M190-M194 HydrophobicContact CE-SD 3.76Å; M190-M194 HydrophobicContact CG-CG 4.4Å; M190-M194 HydrophobicContact CG-SD 4.08Å; M190-M194 WeakPolarHBondContact O-CB 3.24Å; M190-M194 WeakPolarHBondContact O-CG 3.44Å; M190-M194 PolarHBondContact O-N 3.03Å
191G95.9Very high93.8Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-59.2-40.6177.200000113.2C187 V188 K189 C195C187-G191 PolarHBondContact O-N 2.63Å; V188-G191 PolarHBondContact O-N 2.79Å; K189-G191 VanDerWaalsContact C-N 3.32Å; K189-G191 PolarHBondContact O-N 2.96Å; G191-C195 PolarHBondContact O-N 3.18Å; G191-C195 VanDerWaalsContact O-N 3.08Å; G191-C195 PolarHBondContact O-SG 2.81Å; G191-C195 VanDerWaalsContact O-SG 3.42Å
192L95.5Very high93.6Very high16 Ų1634.8 Ų34.88%0.08416%0.158CC..Hα-helixtrans-66.3-42.5175.8-66.9168.9000111.8V188 K189 M190 C195 E196 V254 Y268 V292 N294V188-L192 HydrophobicContact CG1-CD1 4.37Å; V188-L192 WeakPolarHBondContact O-CG 3.41Å; V188-L192 PolarHBondContact O-N 3.3Å; V188-L192 VanDerWaalsContact O-N 3.08Å; K189-L192 PolarHBondContact O-N 3.17Å; K189-L192 VanDerWaalsContact O-N 3.17Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 3.46Å; L192-C195 PolarHBondContact O-N 3.49Å; L192-E196 PolarHBondContact O-N 3.17Å; L192-V254 HydrophobicContact CD2-CG2 3.81Å; L192-V254 HydrophobicContact CG-CG2 4.01Å; L192-Y268 HydrophobicContact CD1-CD1 4.35Å; L192-Y268 HydrophobicContact CD1-CE1 3.82Å; L192-V292 HydrophobicContact CD1-CG1 4.36Å; L192-V292 HydrophobicContact CD2-CG1 4.45Å; L192-N294 HydrophobicContact CD2-CB 4.07Å
193D95.2Very high93.3Very high33 Ų3335.7 Ų35.718%0.17616%0.163CC..Hα-helixtrans-66.6-36.8178.5-69.8-23.9000111.6I154 N158 K189 M190 E196 A197 K296I154-D193 HydrophobicContact CG2-CB 3.74Å; N158-D193 PolarHBondContact ND2-OD2 2.97Å; K189-D193 PolarHBondContact O-N 3.06Å; M190-D193 PolarHBondContact O-N 3.16Å; D193-E196 PolarHBondContact O-N 3.39Å; D193-A197 WeakPolarHBondContact O-CB 3.27Å; D193-A197 PolarHBondContact O-N 3.23Å; D193-K296 IonicContact OD1-NZ 3.95Å
194M94.8Very high92.7Very high0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-63.2-47.7173.1-78.2178.9144.100112.3L121 A123 F151 I154 Y170 M190 E196 A197 I198 M211L121-M194 HydrophobicContact CD2-SD 4.21Å; A123-M194 HydrophobicContact CB-SD 4.1Å; F151-M194 HydrophobicContact CB-CE 3.63Å; F151-M194 HydrophobicContact CD1-CE 4.13Å; F151-M194 HydrophobicContact CD1-CG 4.2Å; F151-M194 HydrophobicContact CD2-CE 3.9Å; F151-M194 HydrophobicContact CE1-CG 4.37Å; F151-M194 HydrophobicContact CG-CE 3.64Å; I154-M194 HydrophobicContact CG2-CG 4.36Å; Y170-M194 HydrophobicContact CD1-CE 3.49Å; Y170-M194 VanDerWaalsContact CD1-CE 3.49Å; Y170-M194 HydrophobicContact CE1-CE 3.76Å; Y170-M194 HydrophobicContact CG-CE 4.01Å; M190-M194 HydrophobicContact CE-CE 3.23Å; M190-M194 HydrophobicContact CE-SD 3.76Å; M190-M194 HydrophobicContact CG-CG 4.4Å; M190-M194 HydrophobicContact CG-SD 4.08Å; M190-M194 WeakPolarHBondContact O-CB 3.24Å; M190-M194 WeakPolarHBondContact O-CG 3.44Å; M190-M194 PolarHBondContact O-N 3.03Å; M194-E196 VanDerWaalsContact C-N 3.29Å; M194-E196 PolarHBondContact O-N 3.04Å; M194-A197 PolarHBondContact O-N 3.39Å; M194-I198 PolarHBondContact O-N 2.88Å; M194-M211 HydrophobicContact CB-SD 3.71Å
195C93.8Very high92.1Very high13 Ų1338.3 Ų38.39%0.08819%0.185CC..Hα-helixtrans-59.2-39.7173.7-74.50000111.9G191 L192 K199G191-C195 PolarHBondContact O-N 3.18Å; G191-C195 VanDerWaalsContact O-N 3.08Å; G191-C195 PolarHBondContact O-SG 2.81Å; G191-C195 VanDerWaalsContact O-SG 3.42Å; L192-C195 PolarHBondContact O-N 3.49Å; C195-K199 WeakPolarHBondContact O-CB 3.3Å; C195-K199 PolarHBondContact O-N 3.3Å
196E92.8Very high91.3Very high54 Ų5434.9 Ų34.925%0.25219%0.19SC..Hα-helixtrans-66.1-40.7176.1-166.6-173.9143.800111.9L192 D193 M194 K199 K200 K296L192-E196 PolarHBondContact O-N 3.17Å; D193-E196 PolarHBondContact O-N 3.39Å; M194-E196 VanDerWaalsContact C-N 3.29Å; M194-E196 PolarHBondContact O-N 3.04Å; E196-K199 PolarHBondContact O-N 3.07Å; E196-K200 WeakPolarHBondContact O-CG 3.34Å; E196-K200 PolarHBondContact O-N 2.96Å; E196-K200 VanDerWaalsContact OE1-CE 3.26Å; E196-K200 WeakPolarHBondContact OE1-CE 3.46Å; E196-K200 IonicContact OE1-NZ 2.83Å; E196-K200 PolarHBondContact OE1-NZ 2.71Å; E196-K296 WeakPolarHBondContact OE2-CD 3.17Å; E196-K296 IonicContact OE2-NZ 3.46Å; E196-K296 PolarHBondContact OE2-NZ 2.79Å
197A91.9Very high90.7Very high9 Ų934.6 Ų34.67%0.07419%0.189CC..Hα-helixtrans-62.3-49.517700000111.5F151 I154 D193 M194 K199 K200 V201F151-A197 HydrophobicContact CE1-CB 4.5Å; I154-A197 HydrophobicContact CD1-CB 4Å; D193-A197 WeakPolarHBondContact O-CB 3.27Å; D193-A197 PolarHBondContact O-N 3.23Å; M194-A197 PolarHBondContact O-N 3.39Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-K199 PolarHBondContact O-N 3.5Å; A197-K200 WeakPolarHBondContact O-CB 3.39Å; A197-K200 PolarHBondContact O-N 3.39Å; A197-V201 WeakPolarHBondContact O-CG2 3.4Å; A197-V201 PolarHBondContact O-N 3.3Å; A197-V201 VanDerWaalsContact O-N 3.11Å
198I91.6Very high90.2Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-62.8-39176.8-71.6-68.7000111.6L147 F151 M194 K200 V201 R202 I209 M211L147-I198 HydrophobicContact CD1-CD1 3.79Å; L147-I198 HydrophobicContact CD2-CD1 4.29Å; F151-I198 HydrophobicContact CE1-CG1 4.39Å; F151-I198 HydrophobicContact CZ-CD1 3.92Å; F151-I198 HydrophobicContact CZ-CG1 3.92Å; M194-I198 PolarHBondContact O-N 2.88Å; I198-K200 VanDerWaalsContact C-N 3.35Å; I198-K200 PolarHBondContact O-N 3.1Å; I198-V201 PolarHBondContact O-N 2.89Å; I198-V201 VanDerWaalsContact O-N 3.16Å; I198-R202 PolarHBondContact O-N 2.77Å; I198-I209 HydrophobicContact CD1-CD1 4.44Å; I198-I209 HydrophobicContact CG2-CD1 4.38Å; I198-I209 HydrophobicContact CG2-CG1 4.3Å; I198-M211 HydrophobicContact CB-CB 4.37Å; I198-M211 HydrophobicContact CG1-CB 4.18Å; I198-M211 HydrophobicContact CG1-SD 3.97Å; I198-M211 HydrophobicContact CG2-CB 4.43Å
199K90.4Very high89.9Confident94 Ų9441.7 Ų41.741%0.40923%0.227SC..Hα-helixtrans-57.8-46.4174178175-179.8-173.90111.6C195 E196 A197 V201 R202 D203C195-K199 WeakPolarHBondContact O-CB 3.3Å; C195-K199 PolarHBondContact O-N 3.3Å; E196-K199 PolarHBondContact O-N 3.07Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-K199 PolarHBondContact O-N 3.5Å; K199-V201 VanDerWaalsContact C-N 3.28Å; K199-V201 PolarHBondContact O-N 3.17Å; K199-R202 PolarHBondContact O-N 3.21Å; K199-D203 WeakPolarHBondContact CG-OD2 3.4Å; K199-D203 WeakPolarHBondContact O-CB 3.46Å; K199-D203 PolarHBondContact O-N 2.87Å
200K89.4Confident89.7Confident107 Ų10738.9 Ų38.947%0.46522%0.216SC..Hα-helixtrans-59.8-38.2176.3-72.2171.3-175.9164.60112.3E196 A197 I198 A204E196-K200 WeakPolarHBondContact O-CG 3.34Å; E196-K200 PolarHBondContact O-N 2.96Å; E196-K200 VanDerWaalsContact OE1-CE 3.26Å; E196-K200 WeakPolarHBondContact OE1-CE 3.46Å; E196-K200 IonicContact OE1-NZ 2.83Å; E196-K200 PolarHBondContact OE1-NZ 2.71Å; A197-K200 WeakPolarHBondContact O-CB 3.39Å; A197-K200 PolarHBondContact O-N 3.39Å; I198-K200 VanDerWaalsContact C-N 3.35Å; I198-K200 PolarHBondContact O-N 3.1Å; K200-A204 VanDerWaalsContact O-CB 3.31Å; K200-A204 WeakPolarHBondContact O-CB 3.43Å; K200-A204 PolarHBondContact O-N 3.16Å; K200-A204 VanDerWaalsContact O-N 3.09Å
201V87.5Confident89.5Confident0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-67.8-45.2176.9-177.40000111.4A197 I198 K199 D203 A204 T205 I209 M323 Y326 L327 W330A197-V201 WeakPolarHBondContact O-CG2 3.4Å; A197-V201 PolarHBondContact O-N 3.3Å; A197-V201 VanDerWaalsContact O-N 3.11Å; I198-V201 PolarHBondContact O-N 2.89Å; I198-V201 VanDerWaalsContact O-N 3.16Å; K199-V201 VanDerWaalsContact C-N 3.28Å; K199-V201 PolarHBondContact O-N 3.17Å; V201-D203 PolarHBondContact O-N 3.14Å; V201-A204 PolarHBondContact O-N 2.94Å; V201-T205 HydrophobicContact CG1-CG2 4.02Å; V201-T205 WeakPolarHBondContact O-CB 3.48Å; V201-T205 VanDerWaalsContact O-CG2 3.29Å; V201-T205 WeakPolarHBondContact O-CG2 3.34Å; V201-T205 PolarHBondContact O-N 2.85Å; V201-T205 PolarHBondContact O-OG1 2.85Å; V201-I209 HydrophobicContact CB-CD1 4.34Å; V201-I209 HydrophobicContact CG1-CD1 3.99Å; V201-M323 HydrophobicContact CB-CE 4.47Å; V201-M323 HydrophobicContact CG1-CE 3.35Å; V201-M323 HydrophobicContact CG1-SD 3.24Å; V201-M323 WeakPolarHBondContact CG1-SD 3.22Å; V201-Y326 HydrophobicContact CB-CE1 4.42Å; V201-Y326 HydrophobicContact CG1-CD1 4.29Å; V201-Y326 HydrophobicContact CG2-CD1 4.42Å; V201-Y326 HydrophobicContact CG2-CE1 4.07Å; V201-L327 HydrophobicContact CG2-CD2 4.13Å; V201-W330 HydrophobicContact CG2-CH2 3.2Å; V201-W330 HydrophobicContact CG2-CZ2 3.25Å; V201-W330 HydrophobicContact CG2-CZ3 4.28Å
202R88.3Confident89.5Confident60 Ų6042 Ų4223%0.22623%0.228CC..Hα-helixtrans-58.2-48.7175.1172.8176.264.6-130.84.5111.2I198 K199 A204 T205 G206 V207 I209 N210I198-R202 PolarHBondContact O-N 2.77Å; K199-R202 PolarHBondContact O-N 3.21Å; R202-A204 VanDerWaalsContact C-N 3.27Å; R202-A204 PolarHBondContact O-N 3.46Å; R202-T205 PolarHBondContact O-N 2.52Å; R202-G206 WeakPolarHBondContact O-CA 3.44Å; R202-G206 PolarHBondContact O-N 2.92Å; R202-V207 WeakPolarHBondContact CG-O 2.99Å; R202-I209 HydrophobicContact CB-CG1 4.24Å; R202-I209 WeakPolarHBondContact CD-O 3.23Å; R202-I209 PolarHBondContact NH1-O 3.25Å; R202-N210 PolarHBondContact NH1-OD1 3.43Å
203D86.3Confident89.6Confident109 Ų10941.2 Ų41.258%0.58322%0.224SC*.Hα-helixtrans-64.9-32.1-176.9-63.9-11.8000111.7K199 V201K199-D203 WeakPolarHBondContact CG-OD2 3.4Å; K199-D203 WeakPolarHBondContact O-CB 3.46Å; K199-D203 PolarHBondContact O-N 2.87Å; V201-D203 PolarHBondContact O-N 3.14Å
204A82.8Confident89.7Confident57 Ų5739.6 Ų39.647%0.47122%0.216SC..Hα-helixtrans-82.9-35.8178.700000114.2K200 V201 R202 Y326K200-A204 VanDerWaalsContact O-CB 3.31Å; K200-A204 WeakPolarHBondContact O-CB 3.43Å; K200-A204 PolarHBondContact O-N 3.16Å; K200-A204 VanDerWaalsContact O-N 3.09Å; V201-A204 PolarHBondContact O-N 2.94Å; R202-A204 VanDerWaalsContact C-N 3.27Å; R202-A204 PolarHBondContact O-N 3.46Å; A204-Y326 HydrophobicContact CB-CD1 4.27Å; A204-Y326 HydrophobicContact CB-CD2 3.8Å; A204-Y326 HydrophobicContact CB-CE1 3.96Å; A204-Y326 HydrophobicContact CB-CE2 3.46Å; A204-Y326 VanDerWaalsContact CB-CE2 3.46Å; A204-Y326 HydrophobicContact CB-CG 4.18Å
205T82.4Confident89.8Confident8 Ų839.6 Ų39.65%0.04922%0.216CC..Hα-helixtrans-99.3-20-172.163.80000113.2V201 R202 V207 R322 M323 Y326V201-T205 HydrophobicContact CG1-CG2 4.02Å; V201-T205 WeakPolarHBondContact O-CB 3.48Å; V201-T205 VanDerWaalsContact O-CG2 3.29Å; V201-T205 WeakPolarHBondContact O-CG2 3.34Å; V201-T205 PolarHBondContact O-N 2.85Å; V201-T205 PolarHBondContact O-OG1 2.85Å; R202-T205 PolarHBondContact O-N 2.52Å; T205-V207 PolarHBondContact O-N 2.69Å; T205-V207 PolarHBondContact OG1-N 2.89Å; T205-R322 VanDerWaalsContact O-CZ 3.25Å; T205-R322 PolarHBondContact O-NH1 3.45Å; T205-R322 PolarHBondContact O-NH2 3.07Å; T205-M323 HydrophobicContact CG2-SD 4.27Å; T205-Y326 HydrophobicContact CG2-CD1 4.17Å; T205-Y326 HydrophobicContact CG2-CG 4.15Å
206G79.9Confident90Very high58 Ų5839.2 Ų39.260%0.59821%0.213SC*.  trans67.216-173.100000113.8R202R202-G206 WeakPolarHBondContact O-CA 3.44Å; R202-G206 PolarHBondContact O-N 2.92Å
207V83.4Confident90.2Very high16 Ų1636.7 Ų36.710%0.09720%0.201CC..  trans-85.8131.2175.8-173.70000109L131 R202 T205 I209 A319L131-V207 HydrophobicContact CD1-CG1 4.04Å; R202-V207 WeakPolarHBondContact CG-O 2.99Å; T205-V207 PolarHBondContact O-N 2.69Å; T205-V207 PolarHBondContact OG1-N 2.89Å; V207-I209 VanDerWaalsContact C-N 3.29Å; V207-I209 HydrophobicContact CG1-CG2 3.94Å; V207-I209 PolarHBondContact O-N 3.43Å; V207-A319 HydrophobicContact CG2-CB 3.91Å
208D85.3Confident90.3Very high146 Ų14636.8 Ų36.878%0.78120%0.203SC*.  trans-74.880.4178.5-172.426.9000111.4
209I88.9Confident90.3Very high3 Ų339 Ų392%0.01522%0.215CC..  trans-120.8148.7173.556.9172.2000110.7I198 V201 R202 V207 M323I198-I209 HydrophobicContact CD1-CD1 4.44Å; I198-I209 HydrophobicContact CG2-CD1 4.38Å; I198-I209 HydrophobicContact CG2-CG1 4.3Å; V201-I209 HydrophobicContact CB-CD1 4.34Å; V201-I209 HydrophobicContact CG1-CD1 3.99Å; R202-I209 HydrophobicContact CB-CG1 4.24Å; R202-I209 WeakPolarHBondContact CD-O 3.23Å; R202-I209 PolarHBondContact NH1-O 3.25Å; V207-I209 VanDerWaalsContact C-N 3.29Å; V207-I209 HydrophobicContact CG1-CG2 3.94Å; V207-I209 PolarHBondContact O-N 3.43Å; I209-M323 HydrophobicContact CD1-CE 3.44Å; I209-M323 VanDerWaalsContact CD1-CE 3.44Å; I209-M323 HydrophobicContact CD1-SD 3.88Å
210N91.8Very high90.4Very high33 Ų3334.6 Ų34.618%0.17620%0.196CC..EExtended strand (participates in β ladder)trans-145.2176.8174.2-150.7-6.6000110.6I125 V126 R202 P251 G252I125-N210 CarbonylContact C-O 3.46Å; V126-N210 HydrophobicContact CB-CB 4.24Å; V126-N210 PolarHBondContact N-O 2.82Å; V126-N210 PolarHBondContact O-N 3.46Å; R202-N210 PolarHBondContact NH1-OD1 3.43Å; N210-P251 HydrophobicContact CB-CB 4.07Å; N210-P251 VanDerWaalsContact ND2-CB 3.27Å; N210-P251 WeakPolarHBondContact ND2-CB 3.04Å; N210-G252 WeakPolarHBondContact OD1-CA 3.46Å; N210-G252 PolarHBondContact OD1-N 2.92Å
211M92.4Very high90.6Very high0 Ų029.9 Ų29.90%018%0.175CC..EExtended strand (participates in β ladder)trans-128.1131.3178.7-159.8163.5-147.300111.1A123 D124 I125 F151 M194 I198 V213 G252A123-M211 HydrophobicContact CB-CE 3.49Å; A123-M211 VanDerWaalsContact CB-CE 3.49Å; A123-M211 HydrophobicContact CB-CG 4.46Å; A123-M211 HydrophobicContact CB-SD 4.26Å; D124-M211 WeakPolarHBondContact O-CA 3.15Å; D124-M211 WeakPolarHBondContact O-CG 3.35Å; I125-M211 HydrophobicContact CG1-CE 4.26Å; F151-M211 HydrophobicContact CD2-CE 4.26Å; F151-M211 HydrophobicContact CE2-CE 3.39Å; F151-M211 HydrophobicContact CE2-SD 4.39Å; F151-M211 HydrophobicContact CZ-CE 3.55Å; F151-M211 HydrophobicContact CZ-SD 3.94Å; M194-M211 HydrophobicContact CB-SD 3.71Å; I198-M211 HydrophobicContact CB-CB 4.37Å; I198-M211 HydrophobicContact CG1-CB 4.18Å; I198-M211 HydrophobicContact CG1-SD 3.97Å; I198-M211 HydrophobicContact CG2-CB 4.43Å; M211-V213 HydrophobicContact CG-CG2 4.06Å; M211-V213 HydrophobicContact SD-CG2 4.46Å; M211-G252 PolarHBondContact O-N 3.39Å
212R95Very high90.7Very high65 Ų6529.9 Ų29.925%0.24518%0.175CC..EExtended strand (participates in β ladder)trans-98.2135.7166.4-84.6-174.3-87.9-147.3-8108.5A123 D124 V126 E246 G249 P251A123-R212 CarbonylContact C-O 3.6Å; A123-R212 WeakPolarHBondContact CA-O 3.27Å; D124-R212 PolarHBondContact N-O 2.94Å; D124-R212 PolarHBondContact O-N 3.42Å; V126-R212 HydrophobicContact CG2-CB 4.32Å; V126-R212 HydrophobicContact CG2-CG 3.79Å; R212-E246 HydrophobicContact CB-CG 4.37Å; R212-E246 WeakPolarHBondContact CB-OE1 3.44Å; R212-E246 IonicContact NE-OE1 3.96Å; R212-G249 WeakPolarHBondContact CD-O 3.39Å; R212-P251 HydrophobicContact CG-CB 4.36Å; R212-P251 HydrophobicContact CG-CG 4.02Å
213V97Very high90.8Very high0 Ų027 Ų270%016%0.164CC..EExtended strand (participates in β ladder)trans-132.5123-179.6-175.50000109.5L121 Y122 A123 M211 V215 V254 H255L121-V213 HydrophobicContact CD1-CG1 3.89Å; L121-V213 HydrophobicContact CD2-CG1 4.14Å; L121-V213 HydrophobicContact CG-CG1 3.81Å; Y122-V213 CarbonylContact O-C 3.59Å; Y122-V213 WeakPolarHBondContact O-CA 3.45Å; A123-V213 HydrophobicContact CB-CG2 4.01Å; M211-V213 HydrophobicContact CG-CG2 4.06Å; M211-V213 HydrophobicContact SD-CG2 4.46Å; V213-V215 HydrophobicContact CG1-CG2 4.21Å; V213-V254 HydrophobicContact CB-CG2 4.32Å; V213-V254 HydrophobicContact CG1-CG1 4.24Å; V213-V254 HydrophobicContact CG1-CG2 4.42Å; V213-H255 WeakPolarHBondContact O-CB 3.44Å; V213-H255 PolarHBondContact O-N 3.3Å
214G97.2Very high91Very high0 Ų021.9 Ų21.90%014%0.137CC..EExtended strand (participates in β ladder)trans-113.4134.3172.700000111.3L121 Y122 H255L121-G214 WeakPolarHBondContact CA-O 3.4Å; Y122-G214 PolarHBondContact N-O 2.88Å; Y122-G214 PolarHBondContact O-N 3.43Å; G214-H255 CarbonylContact C-O 3.53Å; G214-H255 WeakPolarHBondContact CA-O 3.28Å
215V97.7Very high91.3Very high0 Ų019.5 Ų19.50%012%0.116CC..EExtended strand (participates in β ladder)trans-130.5128178.4-171.40000111.4I120 L121 C187 V188 V213 V254 H255 I256 S257 T260I120-V215 VanDerWaalsContact O-CA 3.29Å; I120-V215 WeakPolarHBondContact O-CA 3.34Å; L121-V215 HydrophobicContact CB-CG2 4.2Å; L121-V215 HydrophobicContact CD1-CG2 3.95Å; L121-V215 HydrophobicContact CG-CG2 4.01Å; C187-V215 HydrophobicContact CB-CG1 3.92Å; V188-V215 HydrophobicContact CG2-CG1 4.45Å; V213-V215 HydrophobicContact CG1-CG2 4.21Å; V215-V254 HydrophobicContact CG2-CG1 3.91Å; V215-H255 PolarHBondContact N-O 2.84Å; V215-I256 HydrophobicContact CB-CG2 4.12Å; V215-I256 WeakPolarHBondContact O-CA 3.38Å; V215-S257 PolarHBondContact O-N 3.42Å; V215-T260 HydrophobicContact CG1-CG2 4.11Å; V215-T260 PolarHBondContact O-OG1 2.99Å
216H97.5Very high91.6Very high5 Ų519.4 Ų19.42%0.02312%0.117CC..EExtended strand (participates in β ladder)trans-130.9149.5173.8-177.575000110S119 I120 D238 L241 A242 S257 T260S119-H216 WeakPolarHBondContact CA-O 2.84Å; I120-H216 PolarHBondContact N-O 2.92Å; I120-H216 PolarHBondContact O-N 3.23Å; H216-D238 PolarHBondContact CD2-O 3.36Å; H216-D238 IonicContact CD2-OD1 2.9Å; H216-D238 IonicContact NE2-OD1 2.76Å; H216-D238 PolarHBondContact NE2-OD1 3.35Å; H216-L241 WeakPolarHBondContact CE1-CD2 3.46Å; H216-L241 WeakPolarHBondContact ND1-CD2 3.46Å; H216-A242 HydrophobicContact CB-CB 3.79Å; H216-S257 VanDerWaalsContact ND1-CB 3.33Å; H216-S257 WeakPolarHBondContact ND1-CB 3.31Å; H216-S257 PolarHBondContact ND1-OG 3.24Å; H216-T260 VanDerWaalsContact CA-OG1 3.3Å; H216-T260 WeakPolarHBondContact CA-OG1 3.29Å
217S96.8Very high91.9Very high1 Ų119.5 Ų19.51%0.00710%0.104CC..EExtended strand (participates in β ladder)trans-121.7133.4-179.9-52.50000109.5V118 S119 V259 T260V118-S217 CarbonylContact O-C 3.6Å; V118-S217 WeakPolarHBondContact O-CA 3.37Å; S119-S217 PolarHBondContact OG-OG 2.92Å; S217-V259 VanDerWaalsContact O-CG1 3.23Å; S217-V259 WeakPolarHBondContact O-CG1 3.44Å; S217-T260 PolarHBondContact N-OG1 3.37Å; S217-T260 PolarHBondContact OG-OG1 3.12Å
218G94.4Very high92.1Very high11 Ų1123 Ų2311%0.11312%0.115CC..EExtended strand (participates in β ladder)trans-177.4-154.2-170.800000113N117 V118 D238N117-G218 PolarHBondContact N-O 3.39Å; V118-G218 VanDerWaalsContact CG2-O 3.32Å; V118-G218 WeakPolarHBondContact CG2-O 3.46Å; V118-G218 PolarHBondContact N-O 3.43Å; V118-G218 PolarHBondContact O-N 2.78Å; G218-D238 VanDerWaalsContact CA-OD2 3.22Å; G218-D238 WeakPolarHBondContact CA-OD2 3.47Å
219N92.4Very high92Very high46 Ų4617.2 Ų17.225%0.2468%0.083CC..EExtended strand (participates in β ladder)trans-108.4149.6-178.5-58.2-38.4000110.4T116 S236 D238T116-N219 VanDerWaalsContact CA-OD1 3.25Å; T116-N219 WeakPolarHBondContact CA-OD1 3.4Å; T116-N219 VanDerWaalsContact CB-OD1 3.25Å; T116-N219 WeakPolarHBondContact CB-OD1 3.29Å; T116-N219 WeakPolarHBondContact CG2-OD1 3.34Å; N219-S236 WeakPolarHBondContact O-CB 3.34Å; N219-S236 PolarHBondContact O-OG 3.25Å; N219-D238 PolarHBondContact N-OD2 2.97Å
220V92.9Very high91.7Very high2 Ų218.2 Ų18.21%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-142.1145.2178.9-62.10000112H115 V118 I120 L176 V239H115-V220 HydrophobicContact CB-CG2 4.19Å; H115-V220 PolarHBondContact N-O 3.49Å; H115-V220 PolarHBondContact O-N 2.95Å; V118-V220 HydrophobicContact CB-CG2 4.5Å; V118-V220 HydrophobicContact CG1-CG2 4.22Å; V118-V220 HydrophobicContact CG2-CB 4.2Å; V118-V220 HydrophobicContact CG2-CG1 3.61Å; V118-V220 HydrophobicContact CG2-CG2 3.61Å; I120-V220 HydrophobicContact CD1-CG1 3.7Å; I120-V220 HydrophobicContact CG1-CG1 4.23Å; L176-V220 HydrophobicContact CD1-CG2 4.17Å; L176-V220 HydrophobicContact CD2-CG2 4.19Å; V220-V239 HydrophobicContact CG1-CG2 3.77Å
221L92.1Very high91.4Very high7 Ų718.2 Ų18.24%0.0379%0.086CC..EExtended strand (participates in β ladder)trans-92.4129.8158.6-64.8172.2000107.5V112 R114 V234 W235 L747V112-L221 HydrophobicContact CG1-CB 3.86Å; V112-L221 HydrophobicContact CG1-CD2 4.21Å; R114-L221 HydrophobicContact CB-CD2 3.69Å; R114-L221 HydrophobicContact CG-CD2 3.91Å; L221-V234 CarbonylContact O-C 3.53Å; L221-V234 VanDerWaalsContact O-CA 3.23Å; L221-V234 WeakPolarHBondContact O-CA 3.43Å; L221-W235 PolarHBondContact N-O 3.22Å; L221-W235 PolarHBondContact O-N 3.21Å; L221-L747 HydrophobicContact CB-CD1 3.74Å; L221-L747 HydrophobicContact CD1-CD1 3.5Å; L221-L747 VanDerWaalsContact CD1-CD1 3.5Å; L221-L747 HydrophobicContact CD1-CG 4.23Å; L221-L747 HydrophobicContact CG-CD1 4.24Å
222C90.8Very high91.1Very high0 Ų018.7 Ų18.70%09%0.087CC..EExtended strand (participates in β ladder)trans-129.1145.8-178.671.70000110.6V112 Q113 H115 L176 Y232 D233 V234V112-C222 CarbonylContact C-O 3.46Å; V112-C222 WeakPolarHBondContact CA-O 3.5Å; Q113-C222 PolarHBondContact N-O 2.81Å; Q113-C222 PolarHBondContact O-N 2.77Å; Q113-C222 PolarHBondContact O-SG 2.89Å; Q113-C222 VanDerWaalsContact O-SG 3.35Å; H115-C222 PolarHBondContact CD2-SG 2.73Å; L176-C222 HydrophobicContact CD1-CB 4.23Å; C222-Y232 HydrophobicContact CB-CE2 4.1Å; C222-Y232 WeakPolarHBondContact CB-OH 3.25Å; C222-Y232 PolarHBondContact SG-OH 3.13Å; C222-D233 WeakPolarHBondContact CA-O 3.49Å; C222-V234 HydrophobicContact CB-CG1 3.64Å
223G90.3Very high90.9Very high0 Ų016.2 Ų16.20%08%0.079CC..EExtended strand (participates in β ladder)trans163.8-161.5-173.100000114.8Y111 Y232 D233Y111-G223 CarbonylContact O-C 3.58Å; Y111-G223 WeakPolarHBondContact O-CA 3.46Å; G223-Y232 WeakPolarHBondContact O-CA 3.48Å; G223-D233 PolarHBondContact N-O 2.93Å; G223-D233 PolarHBondContact O-N 3.11Å
224V89.8Confident90.7Very high2 Ų216.5 Ų16.51%0.0128%0.081CC..EExtended strand (participates in β ladder)trans-127.7137.1177.3-178.30000109.2L77 I81 M85 Y111 W230L77-V224 HydrophobicContact CD2-CG2 3.84Å; I81-V224 HydrophobicContact CG2-CG2 4.03Å; M85-V224 HydrophobicContact CE-CB 3.76Å; M85-V224 HydrophobicContact CE-CG1 3.92Å; M85-V224 HydrophobicContact CE-CG2 3.94Å; Y111-V224 PolarHBondContact O-N 3.21Å; V224-W230 HydrophobicContact CG1-CB 3.62Å; V224-W230 HydrophobicContact CG1-CD2 4.33Å; V224-W230 HydrophobicContact CG1-CG 3.61Å
225I89.9Confident90.4Very high6 Ų617.5 Ų17.53%0.0319%0.085CC..  trans-125.2156.3175.664.3171.8000111.4L110 W235 L750 N751 I754L110-I225 HydrophobicContact CD1-CG2 4.03Å; I225-W235 HydrophobicContact CB-CZ2 4.5Å; I225-W235 HydrophobicContact CD1-CH2 4.43Å; I225-W235 HydrophobicContact CD1-CZ2 3.61Å; I225-W235 HydrophobicContact CG1-CH2 4.14Å; I225-W235 HydrophobicContact CG1-CZ2 3.75Å; I225-W235 HydrophobicContact CG2-CH2 3.83Å; I225-W235 HydrophobicContact CG2-CZ2 4Å; I225-W235 HydrophobicContact CG2-CZ3 4.49Å; I225-L750 HydrophobicContact CD1-CD2 4.17Å; I225-L750 HydrophobicContact CD1-CG 4.35Å; I225-N751 WeakPolarHBondContact CA-OD1 3.42Å; I225-N751 HydrophobicContact CB-CB 4.46Å; I225-N751 HydrophobicContact CG2-CB 4.38Å; I225-I754 HydrophobicContact CD1-CG1 4.32Å
226G88.8Confident90.1Very high7 Ų717.9 Ų17.97%0.0729%0.088CC..SBendtrans84.8176.2179.100000114.2W230 N751G226-W230 PolarHBondContact O-NE1 3.19Å; G226-N751 PolarHBondContact N-OD1 3.04Å
227L86.5Confident89.7Confident60 Ų6021 Ų2131%0.31410%0.102SC..SBendtrans-102.5-20.8-177.6-57.7179.3000112.9A755 D758 E759L227-A755 HydrophobicContact CD1-CB 3.94Å; L227-A755 HydrophobicContact CD2-CB 4.38Å; L227-A755 HydrophobicContact CG-CB 3.8Å; L227-D758 HydrophobicContact CB-CB 3.98Å; L227-D758 PolarHBondContact N-OD2 3.29Å; L227-E759 HydrophobicContact CD1-CG 4.28Å
228R86.1Confident89.6Confident90 Ų9022.6 Ų22.634%0.3411%0.11SC..SBendtrans-128.9151.9-179.3-65.1-170.5177.2-153.63.4112.1D758 S762 K771R228-D758 HydrophobicContact CB-CB 4.42Å; R228-D758 HydrophobicContact CG-CB 4.31Å; R228-D758 PolarHBondContact N-OD2 3.42Å; R228-S762 PolarHBondContact NH2-OG 3.34Å; R228-K771 HydrophobicContact CB-CD 4.46Å; R228-K771 PolarHBondContact O-NZ 3.13Å
229K84.5Confident89.5Confident23 Ų2322.5 Ų22.510%0.111%0.108CC..SBendtrans55.553.2179-57-62.4-171.9-1730112.4Q231 N692 P695 E770 K771K229-Q231 PolarHBondContact O-N 3.22Å; K229-N692 WeakPolarHBondContact CA-O 3.34Å; K229-N692 PolarHBondContact N-O 3.34Å; K229-P695 VanDerWaalsContact NZ-CA 3.27Å; K229-P695 VanDerWaalsContact NZ-N 3.11Å; K229-E770 WeakPolarHBondContact CE-OE1 3.2Å; K229-E770 IonicContact NZ-OE1 3.38Å; K229-E770 PolarHBondContact NZ-OE1 2.96Å; K229-K771 HydrophobicContact CB-CD 4.06Å; K229-K771 HydrophobicContact CB-CG 4.36Å; K229-K771 WeakPolarHBondContact CE-O 3.35Å; K229-K771 HydrophobicContact CG-CB 4.08Å; K229-K771 HydrophobicContact CG-CD 4.09Å; K229-K771 HydrophobicContact CG-CG 4.11Å; K229-K771 WeakPolarHBondContact CG-O 3.15Å
230W82.3Confident89.4Confident24 Ų2422.5 Ų22.59%0.09111%0.11CC..  trans-57.1123.7179.3-72-12.5000111.4L77 M85 V224 G226 L689L77-W230 HydrophobicContact CD1-CE3 4.49Å; M85-W230 HydrophobicContact CB-CZ3 4.39Å; M85-W230 HydrophobicContact CE-CD2 4.09Å; M85-W230 HydrophobicContact CE-CE3 3.8Å; M85-W230 HydrophobicContact CE-CH2 4.45Å; M85-W230 HydrophobicContact CE-CZ3 3.98Å; M85-W230 HydrophobicContact CG-CZ3 4.16Å; M85-W230 HydrophobicContact SD-CD2 4.45Å; M85-W230 HydrophobicContact SD-CE3 3.57Å; M85-W230 VanDerWaalsContact SD-CE3 3.57Å; M85-W230 HydrophobicContact SD-CH2 4.26Å; M85-W230 HydrophobicContact SD-CZ3 3.45Å; M85-W230 WeakPolarHBondContact SD-CZ3 3.39Å; V224-W230 HydrophobicContact CG1-CB 3.62Å; V224-W230 HydrophobicContact CG1-CD2 4.33Å; V224-W230 HydrophobicContact CG1-CG 3.61Å; G226-W230 PolarHBondContact O-NE1 3.19Å; W230-L689 HydrophobicContact CE3-CD2 4.29Å; W230-L689 HydrophobicContact CH2-CD2 4.33Å; W230-L689 HydrophobicContact CZ3-CD2 3.52Å
231Q84.2Confident89.4Confident34 Ų3423.5 Ų23.516%0.15911%0.114CC..  trans-134133.9176.8-69.817413.900107.5K229 D233K229-Q231 PolarHBondContact O-N 3.22Å; Q231-D233 PolarHBondContact O-N 3.35Å
232Y87.6Confident89.6Confident9 Ų923.1 Ų23.14%0.03511%0.113CC..  trans-73.4119.4172.1-177.7-104.9000108.9P78 I81 M161 I163 C222 G223P78-Y232 HydrophobicContact CG-CD1 3.9Å; P78-Y232 HydrophobicContact CG-CD2 3.68Å; P78-Y232 HydrophobicContact CG-CE1 3.98Å; P78-Y232 HydrophobicContact CG-CE2 3.79Å; P78-Y232 HydrophobicContact CG-CG 3.71Å; I81-Y232 HydrophobicContact CG1-CD2 4.39Å; I81-Y232 HydrophobicContact CG1-CE2 4.38Å; M161-Y232 HydrophobicContact SD-CD1 4.45Å; M161-Y232 HydrophobicContact SD-CE1 4.01Å; I163-Y232 HydrophobicContact CD1-CD1 4.24Å; I163-Y232 HydrophobicContact CD1-CE1 4.03Å; C222-Y232 HydrophobicContact CB-CE2 4.1Å; C222-Y232 WeakPolarHBondContact CB-OH 3.25Å; C222-Y232 PolarHBondContact SG-OH 3.13Å; G223-Y232 WeakPolarHBondContact O-CA 3.48Å
233D90.6Very high89.7Confident14 Ų1426.4 Ų26.48%0.07513%0.13CC..EExtended strand (participates in β ladder)trans-135.2173.1-175.4-147.7-14.3000110.7K164 C222 G223 Q231 W235K164-D233 IonicContact NZ-OD2 3.89Å; C222-D233 WeakPolarHBondContact CA-O 3.49Å; G223-D233 PolarHBondContact N-O 2.93Å; G223-D233 PolarHBondContact O-N 3.11Å; Q231-D233 PolarHBondContact O-N 3.35Å; D233-W235 HydrophobicContact CB-CH2 3.7Å; D233-W235 HydrophobicContact CB-CZ2 3.72Å; D233-W235 HydrophobicContact CB-CZ3 4.33Å; D233-W235 WeakPolarHBondContact O-CZ3 3.45Å
234V91.8Very high89.8Confident6 Ų628.3 Ų28.34%0.03614%0.139CC..EExtended strand (participates in β ladder)trans-134.8144.5-178-58.30000112.1I163 Y171 V173 L176 L221 C222 V239I163-V234 HydrophobicContact CD1-CG1 4.16Å; I163-V234 HydrophobicContact CG1-CG1 4.45Å; I163-V234 HydrophobicContact CG2-CG2 4.39Å; Y171-V234 HydrophobicContact CE1-CG2 3.61Å; Y171-V234 WeakPolarHBondContact OH-CG2 3.42Å; V173-V234 HydrophobicContact CG2-CG2 4.48Å; L176-V234 HydrophobicContact CD1-CG1 3.8Å; L221-V234 CarbonylContact O-C 3.53Å; L221-V234 VanDerWaalsContact O-CA 3.23Å; L221-V234 WeakPolarHBondContact O-CA 3.43Å; C222-V234 HydrophobicContact CB-CG1 3.64Å; V234-V239 HydrophobicContact CB-CG2 4.49Å; V234-V239 HydrophobicContact CG2-CG1 4.46Å; V234-V239 HydrophobicContact CG2-CG2 3.99Å
235W91.9Very high90.1Very high20 Ų2028.2 Ų28.28%0.07614%0.138CC..EExtended strand (participates in β ladder)trans-136.1130.6-175.5-57.6-91.3000110.3V112 L221 I225 D233 L747V112-W235 HydrophobicContact CG2-CZ3 4.48Å; L221-W235 PolarHBondContact N-O 3.22Å; L221-W235 PolarHBondContact O-N 3.21Å; I225-W235 HydrophobicContact CB-CZ2 4.5Å; I225-W235 HydrophobicContact CD1-CH2 4.43Å; I225-W235 HydrophobicContact CD1-CZ2 3.61Å; I225-W235 HydrophobicContact CG1-CH2 4.14Å; I225-W235 HydrophobicContact CG1-CZ2 3.75Å; I225-W235 HydrophobicContact CG2-CH2 3.83Å; I225-W235 HydrophobicContact CG2-CZ2 4Å; I225-W235 HydrophobicContact CG2-CZ3 4.49Å; D233-W235 HydrophobicContact CB-CH2 3.7Å; D233-W235 HydrophobicContact CB-CZ2 3.72Å; D233-W235 HydrophobicContact CB-CZ3 4.33Å; D233-W235 WeakPolarHBondContact O-CZ3 3.45Å; W235-L747 HydrophobicContact CB-CD1 4.06Å; W235-L747 HydrophobicContact CB-CD2 3.96Å; W235-L747 HydrophobicContact CD2-CD1 4.23Å; W235-L747 HydrophobicContact CD2-CD2 4.16Å; W235-L747 HydrophobicContact CE3-CD1 4.08Å; W235-L747 HydrophobicContact CG-CD1 4.25Å; W235-L747 HydrophobicContact CG-CD2 3.76Å
236S90.6Very high90.4Very high9 Ų928.6 Ų28.66%0.06314%0.14CC..SBendtrans-177.8164.8167.1170.40000109.4N219 D238 V239 T240 E736N219-S236 WeakPolarHBondContact O-CB 3.34Å; N219-S236 PolarHBondContact O-OG 3.25Å; S236-D238 PolarHBondContact O-N 3.4Å; S236-D238 PolarHBondContact OG-N 3.35Å; S236-V239 PolarHBondContact O-N 3.44Å; S236-T240 PolarHBondContact O-N 3.19Å; S236-T240 PolarHBondContact O-OG1 3.21Å; S236-E736 PolarHBondContact OG-OE1 3.46Å
237H89.6Confident90.5Very high71 Ų7130.4 Ų30.433%0.32915%0.154SC..Hα-helixtrans-54.9-37.1162.2-65.386.6000112.3V239 T240 L241 Y734 E736H237-V239 VanDerWaalsContact C-N 3.29Å; H237-V239 PolarHBondContact O-N 3.46Å; H237-T240 WeakPolarHBondContact O-CA 3.47Å; H237-T240 WeakPolarHBondContact O-CB 3.46Å; H237-T240 PolarHBondContact O-N 2.94Å; H237-T240 VanDerWaalsContact O-N 3.07Å; H237-L241 PolarHBondContact O-N 3.1Å; H237-Y734 AromaticContact CE1-CD1 3.27Å; H237-Y734 WeakPolarHBondContact CE1-CD1 3.43Å; H237-Y734 AromaticContact CE1-CE1 3.53Å; H237-Y734 PolarHBondContact CE1-O 3.44Å; H237-Y734 AromaticContact ND1-CD1 3.72Å; H237-Y734 AromaticContact ND1-CE1 3.51Å; H237-Y734 AromaticContact NE2-CD1 3.93Å; H237-Y734 PolarHBondContact NE2-O 3.24Å; H237-E736 IonicContact CE1-OE1 2.71Å; H237-E736 IonicContact CG-OE1 3.22Å; H237-E736 PolarHBondContact N-OE1 3.07Å; H237-E736 VanDerWaalsContact N-OE1 3.09Å; H237-E736 IonicContact ND1-OE1 2.73Å; H237-E736 PolarHBondContact ND1-OE1 2.95Å
238D93.4Very high90.8Very high33 Ų3327.6 Ų27.618%0.17614%0.14CC..Hα-helixtrans-66-31.7-178.5-67.9-29.4000112.3I120 H216 G218 N219 S236 A242I120-D238 HydrophobicContact CD1-CB 4.05Å; H216-D238 PolarHBondContact CD2-O 3.36Å; H216-D238 IonicContact CD2-OD1 2.9Å; H216-D238 IonicContact NE2-OD1 2.76Å; H216-D238 PolarHBondContact NE2-OD1 3.35Å; G218-D238 VanDerWaalsContact CA-OD2 3.22Å; G218-D238 WeakPolarHBondContact CA-OD2 3.47Å; N219-D238 PolarHBondContact N-OD2 2.97Å; S236-D238 PolarHBondContact O-N 3.4Å; S236-D238 PolarHBondContact OG-N 3.35Å; D238-A242 WeakPolarHBondContact O-CB 3.4Å; D238-A242 PolarHBondContact O-N 3.41Å
239V92.8Very high91.1Very high10 Ų1023.5 Ų23.56%0.06113%0.125CC..Hα-helixtrans-68-43.3172.4177.70000110.5I120 Y122 Y171 V220 V234 S236 H237 L241 A242 N243I120-V239 HydrophobicContact CD1-CB 4.49Å; I120-V239 HydrophobicContact CD1-CG2 3.82Å; Y122-V239 HydrophobicContact CE2-CG1 4.18Å; Y122-V239 WeakPolarHBondContact OH-CG1 3.38Å; Y171-V239 WeakPolarHBondContact OH-CG1 3.22Å; V220-V239 HydrophobicContact CG1-CG2 3.77Å; V234-V239 HydrophobicContact CB-CG2 4.49Å; V234-V239 HydrophobicContact CG2-CG1 4.46Å; V234-V239 HydrophobicContact CG2-CG2 3.99Å; S236-V239 PolarHBondContact O-N 3.44Å; H237-V239 VanDerWaalsContact C-N 3.29Å; H237-V239 PolarHBondContact O-N 3.46Å; V239-L241 VanDerWaalsContact C-N 3.34Å; V239-A242 WeakPolarHBondContact O-CB 3.47Å; V239-A242 PolarHBondContact O-N 2.87Å; V239-N243 PolarHBondContact O-N 2.99Å; V239-N243 VanDerWaalsContact O-N 3.13Å
240T90.8Very high91.5Very high46 Ų4624.5 Ų24.528%0.28213%0.134SC..Hα-helixtrans-63.3-43.3177.5-56.60000110.6S236 H237 A242 N243 H244S236-T240 PolarHBondContact O-N 3.19Å; S236-T240 PolarHBondContact O-OG1 3.21Å; H237-T240 WeakPolarHBondContact O-CA 3.47Å; H237-T240 WeakPolarHBondContact O-CB 3.46Å; H237-T240 PolarHBondContact O-N 2.94Å; H237-T240 VanDerWaalsContact O-N 3.07Å; T240-A242 PolarHBondContact O-N 3.47Å; T240-N243 WeakPolarHBondContact O-CB 3.3Å; T240-N243 PolarHBondContact O-N 2.84Å; T240-H244 PolarHBondContact O-CD2 2.59Å; T240-H244 VanDerWaalsContact O-CD2 3.25Å; T240-H244 PolarHBondContact O-N 2.97Å; T240-H244 VanDerWaalsContact O-N 3.16Å
241L93.3Very high92Very high22 Ų2226 Ų2612%0.11515%0.146CC..Hα-helixtrans-62.3-42.8175.6179.954.7000111.7H216 H237 V239 N243 H244 M245 Y281 L282 V287H216-L241 WeakPolarHBondContact CE1-CD2 3.46Å; H216-L241 WeakPolarHBondContact ND1-CD2 3.46Å; H237-L241 PolarHBondContact O-N 3.1Å; V239-L241 VanDerWaalsContact C-N 3.34Å; L241-N243 VanDerWaalsContact C-N 3.28Å; L241-N243 PolarHBondContact O-N 3.47Å; L241-H244 PolarHBondContact O-N 2.82Å; L241-H244 VanDerWaalsContact O-N 3.15Å; L241-M245 HydrophobicContact CD1-CG 4.41Å; L241-M245 HydrophobicContact CG-CG 4.48Å; L241-M245 VanDerWaalsContact O-CG 3.28Å; L241-M245 WeakPolarHBondContact O-CG 3.47Å; L241-M245 PolarHBondContact O-N 3.19Å; L241-Y281 HydrophobicContact CD1-CE1 4.16Å; L241-L282 HydrophobicContact CD1-CD2 3.53Å; L241-V287 HydrophobicContact CD1-CG1 4.3Å; L241-V287 HydrophobicContact CD1-CG2 3.94Å
242A95.3Very high92.4Very high0 Ų025.9 Ų25.90%015%0.154CC..Hα-helixtrans-58.5-38.7175.800000113I120 Y122 H216 D238 V239 T240 M245 E246I120-A242 HydrophobicContact CB-CB 3.89Å; I120-A242 HydrophobicContact CG2-CB 3.52Å; Y122-A242 HydrophobicContact CD2-CB 3.73Å; Y122-A242 HydrophobicContact CE2-CB 3.97Å; H216-A242 HydrophobicContact CB-CB 3.79Å; D238-A242 WeakPolarHBondContact O-CB 3.4Å; D238-A242 PolarHBondContact O-N 3.41Å; V239-A242 WeakPolarHBondContact O-CB 3.47Å; V239-A242 PolarHBondContact O-N 2.87Å; T240-A242 PolarHBondContact O-N 3.47Å; A242-M245 WeakPolarHBondContact O-CB 3.23Å; A242-M245 PolarHBondContact O-N 3.12Å; A242-E246 PolarHBondContact O-N 3.3Å; A242-E246 VanDerWaalsContact O-N 3.14Å
243N93.4Very high92.7Very high68 Ų6828.5 Ų28.536%0.36416%0.164SC..Hα-helixtrans-63.5-44.6175.1-176.435.9000111.4Y122 V239 T240 L241 M245 E246 A247Y122-N243 HydrophobicContact CD2-CB 4.2Å; Y122-N243 HydrophobicContact CE1-CB 4.4Å; Y122-N243 HydrophobicContact CE2-CB 3.97Å; Y122-N243 HydrophobicContact CG-CB 4.49Å; V239-N243 PolarHBondContact O-N 2.99Å; V239-N243 VanDerWaalsContact O-N 3.13Å; T240-N243 WeakPolarHBondContact O-CB 3.3Å; T240-N243 PolarHBondContact O-N 2.84Å; L241-N243 VanDerWaalsContact C-N 3.28Å; L241-N243 PolarHBondContact O-N 3.47Å; N243-M245 VanDerWaalsContact C-N 3.32Å; N243-M245 PolarHBondContact O-N 3.05Å; N243-E246 PolarHBondContact O-N 3.39Å; N243-A247 PolarHBondContact O-N 3.37Å
244H93.6Very high93Very high40 Ų4027.9 Ų27.919%0.18516%0.161CC..Hα-helixtrans-68.2-30175-75.9-74000113.3T240 L241 E246 A247 G248 D279 Y281 L282T240-H244 PolarHBondContact O-CD2 2.59Å; T240-H244 VanDerWaalsContact O-CD2 3.25Å; T240-H244 PolarHBondContact O-N 2.97Å; T240-H244 VanDerWaalsContact O-N 3.16Å; L241-H244 PolarHBondContact O-N 2.82Å; L241-H244 VanDerWaalsContact O-N 3.15Å; H244-E246 VanDerWaalsContact C-N 3.31Å; H244-E246 PolarHBondContact O-N 3.16Å; H244-A247 PolarHBondContact O-N 2.79Å; H244-G248 PolarHBondContact O-N 2.63Å; H244-D279 IonicContact CG-OD1 3.7Å; H244-D279 IonicContact ND1-OD1 3.25Å; H244-D279 PolarHBondContact ND1-OD1 2.94Å; H244-D279 IonicContact ND1-OD2 2.69Å; H244-D279 PolarHBondContact ND1-OD2 2.72Å; H244-D279 VanDerWaalsContact ND1-OD2 3.08Å; H244-Y281 HydrophobicContact CB-CD1 3.83Å; H244-Y281 HydrophobicContact CB-CG 4.4Å; H244-Y281 AromaticContact CD2-CD1 3.46Å; H244-Y281 VanDerWaalsContact CD2-CD1 3.46Å; H244-Y281 WeakPolarHBondContact CD2-CD1 3.47Å; H244-Y281 AromaticContact CD2-CE1 3.91Å; H244-Y281 AromaticContact CD2-CG 3.55Å; H244-Y281 AromaticContact CE1-CG 3.96Å; H244-Y281 AromaticContact CG-CD1 3.58Å; H244-Y281 AromaticContact CG-CG 3.73Å; H244-Y281 WeakPolarHBondContact ND1-CB 3.37Å; H244-Y281 AromaticContact ND1-CG 3.98Å; H244-Y281 AromaticContact NE2-CD2 3.94Å; H244-Y281 AromaticContact NE2-CG 3.74Å; H244-L282 HydrophobicContact CB-CD2 4.11Å; H244-L282 HydrophobicContact CB-CG 4.37Å
245M95.6Very high93.3Very high0 Ų027.6 Ų27.60%016%0.159CC..Hα-helixtrans-62.8-36.9171.1-71.9-62-57.200111.8L241 A242 N243 G249 H255 I256 L282 T289L241-M245 HydrophobicContact CD1-CG 4.41Å; L241-M245 HydrophobicContact CG-CG 4.48Å; L241-M245 VanDerWaalsContact O-CG 3.28Å; L241-M245 WeakPolarHBondContact O-CG 3.47Å; L241-M245 PolarHBondContact O-N 3.19Å; A242-M245 WeakPolarHBondContact O-CB 3.23Å; A242-M245 PolarHBondContact O-N 3.12Å; N243-M245 VanDerWaalsContact C-N 3.32Å; N243-M245 PolarHBondContact O-N 3.05Å; M245-G249 PolarHBondContact O-N 2.93Å; M245-H255 HydrophobicContact CE-CB 4.49Å; M245-H255 PolarHBondContact O-ND1 3.05Å; M245-I256 WeakPolarHBondContact CE-O 3.45Å; M245-L282 HydrophobicContact CG-CD2 4.41Å; M245-L282 HydrophobicContact SD-CD1 4.14Å; M245-L282 HydrophobicContact SD-CD2 3.79Å; M245-T289 HydrophobicContact CE-CG2 3.68Å; M245-T289 HydrophobicContact SD-CG2 3.52Å; M245-T289 VanDerWaalsContact SD-CG2 3.52Å
246E95.3Very high93.5Very high15 Ų1526.7 Ų26.77%0.0716%0.155CC..Hα-helixtrans-69.2-48.9173-178-72.2128.300110.8D124 R212 A242 N243 H244 G248 G249D124-E246 HydrophobicContact CB-CG 4.23Å; D124-E246 VanDerWaalsContact CB-OE1 3.25Å; D124-E246 WeakPolarHBondContact CB-OE1 3.48Å; R212-E246 HydrophobicContact CB-CG 4.37Å; R212-E246 WeakPolarHBondContact CB-OE1 3.44Å; R212-E246 IonicContact NE-OE1 3.96Å; A242-E246 PolarHBondContact O-N 3.3Å; A242-E246 VanDerWaalsContact O-N 3.14Å; N243-E246 PolarHBondContact O-N 3.39Å; H244-E246 VanDerWaalsContact C-N 3.31Å; H244-E246 PolarHBondContact O-N 3.16Å; E246-G248 VanDerWaalsContact C-N 3.3Å; E246-G248 PolarHBondContact O-N 3Å; E246-G249 WeakPolarHBondContact O-CA 3.23Å; E246-G249 PolarHBondContact O-N 2.99Å
247A91.6Very high93.8Very high44 Ų4426.3 Ų26.336%0.36415%0.153SC..Hα-helixtrans-58.4-40.9-178.300000112.7N243 H244 G249N243-A247 PolarHBondContact O-N 3.37Å; H244-A247 PolarHBondContact O-N 2.79Å; A247-G249 VanDerWaalsContact C-N 3.26Å; A247-G249 PolarHBondContact O-N 3.47Å
248G92.1Very high94Very high1 Ų124.6 Ų24.61%0.0115%0.149CC..THydrogen-bonded Turntrans-80.81.6173.200000114.7H244 E246 R278H244-G248 PolarHBondContact O-N 2.63Å; E246-G248 VanDerWaalsContact C-N 3.3Å; E246-G248 PolarHBondContact O-N 3Å; G248-R278 PolarHBondContact O-NE 3.35Å; G248-R278 PolarHBondContact O-NH2 3.32Å
249G92.6Very high94.1Very high4 Ų425.3 Ų25.34%0.04115%0.154CC..PPolyproline II helixtrans-75160.7-17800000114.1R212 M245 E246 A247R212-G249 WeakPolarHBondContact CD-O 3.39Å; M245-G249 PolarHBondContact O-N 2.93Å; E246-G249 WeakPolarHBondContact O-CA 3.23Å; E246-G249 PolarHBondContact O-N 2.99Å; A247-G249 VanDerWaalsContact C-N 3.26Å; A247-G249 PolarHBondContact O-N 3.47Å
250V93.7Very high94.3Very high45 Ų4524.9 Ų24.927%0.27315%0.151SC..PPolyproline II helixtrans-101.6131178.9-179.70000109.7G252 R253 L291V250-G252 PolarHBondContact O-N 3.03Å; V250-R253 HydrophobicContact CB-CB 4.31Å; V250-R253 HydrophobicContact CB-CG 4.31Å; V250-R253 HydrophobicContact CG1-CG 4.23Å; V250-R253 PolarHBondContact O-N 3.23Å; V250-R253 VanDerWaalsContact O-N 3.09Å; V250-L291 HydrophobicContact CB-CD2 4.43Å; V250-L291 HydrophobicContact CG2-CD1 4.11Å; V250-L291 HydrophobicContact CG2-CD2 4.39Å
251P93.4Very high94.5Very high55 Ų5524.7 Ų24.736%0.35715%0.149SC..THydrogen-bonded Turntrans-55.6130.6179.9-25.634000113.2V126 N210 R212 R253V126-P251 HydrophobicContact CG2-CB 4.32Å; V126-P251 HydrophobicContact CG2-CG 4.22Å; N210-P251 HydrophobicContact CB-CB 4.07Å; N210-P251 VanDerWaalsContact ND2-CB 3.27Å; N210-P251 WeakPolarHBondContact ND2-CB 3.04Å; R212-P251 HydrophobicContact CG-CB 4.36Å; R212-P251 HydrophobicContact CG-CG 4.02Å; P251-R253 VanDerWaalsContact C-N 3.32Å
252G91.7Very high94.6Very high31 Ų3130.3 Ų30.332%0.3217%0.174SC..THydrogen-bonded Turntrans82.82.1-178.700000114.7N210 M211 V250N210-G252 WeakPolarHBondContact OD1-CA 3.46Å; N210-G252 PolarHBondContact OD1-N 2.92Å; M211-G252 PolarHBondContact O-N 3.39Å; V250-G252 PolarHBondContact O-N 3.03Å
253R94.1Very high94.5Very high65 Ų6533.3 Ų33.325%0.24519%0.188CC..SBendtrans-120.3152.5-179-56.7-63-62.2-75.9-4.1110.7V250 P251 E271 L291 V292V250-R253 HydrophobicContact CB-CB 4.31Å; V250-R253 HydrophobicContact CB-CG 4.31Å; V250-R253 HydrophobicContact CG1-CG 4.23Å; V250-R253 PolarHBondContact O-N 3.23Å; V250-R253 VanDerWaalsContact O-N 3.09Å; P251-R253 VanDerWaalsContact C-N 3.32Å; R253-E271 IonicContact CZ-OE1 3.32Å; R253-E271 IonicContact NH1-OE1 3.4Å; R253-E271 PolarHBondContact NH1-OE1 3.32Å; R253-E271 IonicContact NH2-OE1 3.33Å; R253-E271 PolarHBondContact NH2-OE1 2.89Å; R253-L291 HydrophobicContact CB-CD2 3.98Å; R253-V292 PolarHBondContact NE-O 2.87Å; R253-V292 PolarHBondContact NH2-O 2.98Å
254V96.8Very high94.5Very high1 Ų130.2 Ų30.21%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-96.4117.8173.1-178.50000108.3L192 V213 V215 I256 V292L192-V254 HydrophobicContact CD2-CG2 3.81Å; L192-V254 HydrophobicContact CG-CG2 4.01Å; V213-V254 HydrophobicContact CB-CG2 4.32Å; V213-V254 HydrophobicContact CG1-CG1 4.24Å; V213-V254 HydrophobicContact CG1-CG2 4.42Å; V215-V254 HydrophobicContact CG2-CG1 3.91Å; V254-I256 HydrophobicContact CG1-CG2 4Å; V254-V292 HydrophobicContact CB-CB 4.23Å; V254-V292 HydrophobicContact CB-CG2 4.33Å; V254-V292 HydrophobicContact CG1-CG2 4.32Å; V254-V292 PolarHBondContact O-N 2.99Å
255H97.3Very high94.3Very high0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-99.7123.9-177.8-171.5-151.8000109.9V213 G214 V215 M245 T289 Y290 L291V213-H255 WeakPolarHBondContact O-CB 3.44Å; V213-H255 PolarHBondContact O-N 3.3Å; G214-H255 CarbonylContact C-O 3.53Å; G214-H255 WeakPolarHBondContact CA-O 3.28Å; V215-H255 PolarHBondContact N-O 2.84Å; M245-H255 HydrophobicContact CE-CB 4.49Å; M245-H255 PolarHBondContact O-ND1 3.05Å; H255-T289 VanDerWaalsContact NE2-CB 3.26Å; H255-T289 WeakPolarHBondContact NE2-CB 3.37Å; H255-T289 PolarHBondContact NE2-OG1 3.44Å; H255-Y290 PolarHBondContact CD2-O 3.31Å; H255-L291 HydrophobicContact CB-CD2 3.9Å
256I97.3Very high93.9Very high0 Ų040.5 Ų40.50%024%0.235CC..EExtended strand (participates in β ladder)trans-126.7149-173.471.3170.1000111.7V188 V215 M245 V254 T260 L261 L264 V270 Y290 V292V188-I256 HydrophobicContact CG2-CG2 4Å; V215-I256 HydrophobicContact CB-CG2 4.12Å; V215-I256 WeakPolarHBondContact O-CA 3.38Å; M245-I256 WeakPolarHBondContact CE-O 3.45Å; V254-I256 HydrophobicContact CG1-CG2 4Å; I256-T260 HydrophobicContact CB-CG2 4.1Å; I256-T260 HydrophobicContact CG2-CG2 4.3Å; I256-L261 HydrophobicContact CD1-CB 4.15Å; I256-L261 HydrophobicContact CD1-CD1 4.31Å; I256-L264 HydrophobicContact CD1-CD1 3.66Å; I256-V270 HydrophobicContact CD1-CG1 4.04Å; I256-Y290 PolarHBondContact N-O 3.14Å; I256-Y290 PolarHBondContact O-N 3.13Å; I256-V292 HydrophobicContact CD1-CG2 3.88Å; I256-V292 HydrophobicContact CG1-CG2 4.19Å; I256-V292 HydrophobicContact CG2-CG2 3.68Å
257S96.4Very high93.7Very high1 Ų142.9 Ų42.91%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-77.3163.8171.763.60000112V215 H216 V259 T260 L261V215-S257 PolarHBondContact O-N 3.42Å; H216-S257 VanDerWaalsContact ND1-CB 3.33Å; H216-S257 WeakPolarHBondContact ND1-CB 3.31Å; H216-S257 PolarHBondContact ND1-OG 3.24Å; S257-V259 VanDerWaalsContact C-N 3.28Å; S257-V259 PolarHBondContact O-N 3Å; S257-T260 PolarHBondContact O-N 3.33Å; S257-T260 PolarHBondContact OG-N 3.41Å; S257-T260 PolarHBondContact OG-OG1 3.34Å; S257-T260 VanDerWaalsContact OG-OG1 3.12Å; S257-L261 PolarHBondContact O-N 3.33Å
258S94.6Very high93.7Very high35 Ų3542.5 Ų42.525%0.24524%0.242CC..Hα-helixtrans-54.2-42.7168.853.60000112.9T260 L261 E262 V288S258-T260 VanDerWaalsContact C-N 3.33Å; S258-T260 PolarHBondContact O-N 2.99Å; S258-L261 WeakPolarHBondContact O-CA 3.35Å; S258-L261 WeakPolarHBondContact O-CB 3.46Å; S258-L261 PolarHBondContact O-N 3.42Å; S258-E262 PolarHBondContact O-N 2.85Å; S258-V288 PolarHBondContact N-O 3.27Å
259V95.3Very high93.7Very high49 Ų4948.5 Ų48.530%0.29727%0.268SS..Hα-helixtrans-59.8-43.9178.1-175.20000111.1S217 S257 L261 E262 H263S217-V259 VanDerWaalsContact O-CG1 3.23Å; S217-V259 WeakPolarHBondContact O-CG1 3.44Å; S257-V259 VanDerWaalsContact C-N 3.28Å; S257-V259 PolarHBondContact O-N 3Å; V259-L261 VanDerWaalsContact C-N 3.32Å; V259-L261 PolarHBondContact O-N 3.45Å; V259-E262 PolarHBondContact O-N 3.4Å; V259-H263 PolarHBondContact O-N 2.76Å; V259-H263 PolarHBondContact O-ND1 3.24Å
260T96.1Very high93.8Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-63.5-39.9175.5-59.70000111.1A184 V188 V215 H216 S217 I256 S257 S258 E262 H263 L264A184-T260 HydrophobicContact CB-CG2 4.36Å; V188-T260 HydrophobicContact CG2-CG2 4.25Å; V215-T260 HydrophobicContact CG1-CG2 4.11Å; V215-T260 PolarHBondContact O-OG1 2.99Å; H216-T260 VanDerWaalsContact CA-OG1 3.3Å; H216-T260 WeakPolarHBondContact CA-OG1 3.29Å; S217-T260 PolarHBondContact N-OG1 3.37Å; S217-T260 PolarHBondContact OG-OG1 3.12Å; I256-T260 HydrophobicContact CB-CG2 4.1Å; I256-T260 HydrophobicContact CG2-CG2 4.3Å; S257-T260 PolarHBondContact O-N 3.33Å; S257-T260 PolarHBondContact OG-N 3.41Å; S257-T260 PolarHBondContact OG-OG1 3.34Å; S257-T260 VanDerWaalsContact OG-OG1 3.12Å; S258-T260 VanDerWaalsContact C-N 3.33Å; S258-T260 PolarHBondContact O-N 2.99Å; T260-E262 VanDerWaalsContact C-N 3.32Å; T260-E262 PolarHBondContact O-N 2.84Å; T260-H263 PolarHBondContact O-N 2.91Å; T260-L264 HydrophobicContact CG2-CD1 4.45Å; T260-L264 HydrophobicContact CG2-CG 4.46Å; T260-L264 WeakPolarHBondContact O-CG 3.47Å; T260-L264 PolarHBondContact O-N 2.93Å
261L95.7Very high93.9Very high42 Ų4251.4 Ų51.422%0.2228%0.28CS..Hα-helixtrans-59.9-41.3177.9179.863000112.4I256 S257 S258 V259 H263 L264 V270 Y290I256-L261 HydrophobicContact CD1-CB 4.15Å; I256-L261 HydrophobicContact CD1-CD1 4.31Å; S257-L261 PolarHBondContact O-N 3.33Å; S258-L261 WeakPolarHBondContact O-CA 3.35Å; S258-L261 WeakPolarHBondContact O-CB 3.46Å; S258-L261 PolarHBondContact O-N 3.42Å; V259-L261 VanDerWaalsContact C-N 3.32Å; V259-L261 PolarHBondContact O-N 3.45Å; L261-H263 VanDerWaalsContact C-N 3.34Å; L261-H263 PolarHBondContact O-N 2.83Å; L261-L264 WeakPolarHBondContact O-CB 3.36Å; L261-L264 PolarHBondContact O-N 3.04Å; L261-V270 HydrophobicContact CD1-CB 4.45Å; L261-V270 HydrophobicContact CD1-CG1 3.84Å; L261-V270 HydrophobicContact CD1-CG2 3.75Å; L261-V270 HydrophobicContact CD2-CG2 4.02Å; L261-Y290 HydrophobicContact CB-CD2 4.36Å; L261-Y290 HydrophobicContact CD2-CD1 4.18Å; L261-Y290 HydrophobicContact CD2-CD2 3.77Å; L261-Y290 HydrophobicContact CD2-CE1 4.03Å; L261-Y290 HydrophobicContact CD2-CE2 3.62Å; L261-Y290 HydrophobicContact CD2-CG 4.05Å
262E94.4Very high93.9Very high140 Ų14053.2 Ų53.265%0.65429%0.293SS*.Hα-helixtrans-60.5-43.6175-69.6172.6-170.900111.5S258 V259 T260 L264 K265S258-E262 PolarHBondContact O-N 2.85Å; V259-E262 PolarHBondContact O-N 3.4Å; T260-E262 VanDerWaalsContact C-N 3.32Å; T260-E262 PolarHBondContact O-N 2.84Å; E262-L264 VanDerWaalsContact C-N 3.28Å; E262-L264 PolarHBondContact O-N 2.93Å; E262-K265 PolarHBondContact O-N 2.88Å
263H93.9Very high93.8Very high63 Ų6351.9 Ų51.929%0.29228%0.278SS..Hα-helixtrans-67.4-25.8177.1-72.282.7000113.4H183 A184 V259 T260 L261 K265H183-H263 AromaticContact CE1-CD2 3.53Å; H183-H263 AromaticContact NE2-CD2 3.45Å; H183-H263 PolarHBondContact NE2-CD2 2.74Å; A184-H263 HydrophobicContact CB-CB 3.63Å; V259-H263 PolarHBondContact O-N 2.76Å; V259-H263 PolarHBondContact O-ND1 3.24Å; T260-H263 PolarHBondContact O-N 2.91Å; L261-H263 VanDerWaalsContact C-N 3.34Å; L261-H263 PolarHBondContact O-N 2.83Å; H263-K265 VanDerWaalsContact C-N 3.26Å; H263-K265 PolarHBondContact O-N 2.94Å
264L92.9Very high93.5Very high3 Ų354 Ų542%0.01629%0.294CS..Hα-helixtrans-72.3-17.3175.8-69173.6000113.1A184 R185 V188 I256 T260 L261 E262 G266 S267 Y268A184-L264 HydrophobicContact CB-CD2 4.09Å; A184-L264 HydrophobicContact CB-CG 4.5Å; R185-L264 HydrophobicContact CB-CD2 4.38Å; V188-L264 HydrophobicContact CB-CD2 4.32Å; V188-L264 HydrophobicContact CG2-CD1 4.13Å; V188-L264 HydrophobicContact CG2-CD2 4.07Å; I256-L264 HydrophobicContact CD1-CD1 3.66Å; T260-L264 HydrophobicContact CG2-CD1 4.45Å; T260-L264 HydrophobicContact CG2-CG 4.46Å; T260-L264 WeakPolarHBondContact O-CG 3.47Å; T260-L264 PolarHBondContact O-N 2.93Å; L261-L264 WeakPolarHBondContact O-CB 3.36Å; L261-L264 PolarHBondContact O-N 3.04Å; E262-L264 VanDerWaalsContact C-N 3.28Å; E262-L264 PolarHBondContact O-N 2.93Å; L264-G266 PolarHBondContact O-N 3.09Å; L264-G266 VanDerWaalsContact O-N 3.11Å; L264-S267 WeakPolarHBondContact O-CB 3.34Å; L264-S267 PolarHBondContact O-N 2.84Å; L264-S267 PolarHBondContact O-OG 2.92Å; L264-Y268 HydrophobicContact CD1-CD2 4.3Å; L264-Y268 HydrophobicContact CD2-CD2 4.04Å; L264-Y268 HydrophobicContact CD2-CE2 4.28Å
265K90.5Very high93Very high190 Ų19053.9 Ų53.983%0.82629%0.294SS*.THydrogen-bonded Turntrans47.841.1177.1-60.1-179.6-178.6177.70113.7E262 H263 S267E262-K265 PolarHBondContact O-N 2.88Å; H263-K265 VanDerWaalsContact C-N 3.26Å; H263-K265 PolarHBondContact O-N 2.94Å; K265-S267 VanDerWaalsContact C-N 3.35Å; K265-S267 PolarHBondContact O-N 2.89Å
266G87.4Confident92.6Very high67 Ų6757.7 Ų57.769%0.69131%0.312SS*.THydrogen-bonded Turntrans76.712179.600000115.8L264 Y268L264-G266 PolarHBondContact O-N 3.09Å; L264-G266 VanDerWaalsContact O-N 3.11Å; G266-Y268 PolarHBondContact O-N 2.91Å
267S89.2Confident92.3Very high65 Ų6562.2 Ų62.246%0.45534%0.344SS..SBendtrans-63.5-21.2-179.9-61.70000114.3L264 K265L264-S267 WeakPolarHBondContact O-CB 3.34Å; L264-S267 PolarHBondContact O-N 2.84Å; L264-S267 PolarHBondContact O-OG 2.92Å; K265-S267 VanDerWaalsContact C-N 3.35Å; K265-S267 PolarHBondContact O-N 2.89Å
268Y92.5Very high92Very high35 Ų3567.2 Ų67.214%0.13736%0.362CS..SBendtrans-135.3144.7-179.6-67.2-85.7000110.6R185 V188 L192 L264 G266 V292R185-Y268 HydrophobicContact CG-CE2 4.18Å; V188-Y268 HydrophobicContact CB-CE2 4.43Å; V188-Y268 HydrophobicContact CG1-CD2 4.07Å; V188-Y268 HydrophobicContact CG1-CE2 3.99Å; V188-Y268 HydrophobicContact CG1-CG 4.42Å; L192-Y268 HydrophobicContact CD1-CD1 4.35Å; L192-Y268 HydrophobicContact CD1-CE1 3.82Å; L264-Y268 HydrophobicContact CD1-CD2 4.3Å; L264-Y268 HydrophobicContact CD2-CD2 4.04Å; L264-Y268 HydrophobicContact CD2-CE2 4.28Å; G266-Y268 PolarHBondContact O-N 2.91Å; Y268-V292 HydrophobicContact CD1-CG1 4.07Å; Y268-V292 HydrophobicContact CG-CG1 4.17Å
269K92.9Very high91.9Very high127 Ų12766.5 Ų66.555%0.55236%0.356SS*.  trans-74.8141.5166.2-61.1-179.4-171.5169.40109.1I293 E298K269-I293 HydrophobicContact CB-CB 4.23Å; K269-I293 HydrophobicContact CB-CD1 4.08Å; K269-I293 WeakPolarHBondContact O-CB 3.13Å; K269-I293 PolarHBondContact O-N 2.84Å; K269-E298 IonicContact NZ-OE1 2.7Å; K269-E298 PolarHBondContact NZ-OE1 3.34Å; K269-E298 IonicContact NZ-OE2 3.41Å
270V94.1Very high91.6Very high41 Ų4168.7 Ų68.725%0.24837%0.373CS..EExtended strand (participates in β ladder)trans-134.8157-179.6-57.90000110.9I256 L261 Y290 L291 V292I256-V270 HydrophobicContact CD1-CG1 4.04Å; L261-V270 HydrophobicContact CD1-CB 4.45Å; L261-V270 HydrophobicContact CD1-CG1 3.84Å; L261-V270 HydrophobicContact CD1-CG2 3.75Å; L261-V270 HydrophobicContact CD2-CG2 4.02Å; V270-Y290 HydrophobicContact CG2-CD1 3.94Å; V270-Y290 HydrophobicContact CG2-CG 4.25Å; V270-L291 CarbonylContact C-O 3.57Å; V270-L291 VanDerWaalsContact CA-O 3.3Å; V270-L291 WeakPolarHBondContact CA-O 3.13Å; V270-V292 HydrophobicContact CG1-CG2 4.34Å
271E94.6Very high91.3Very high69 Ų6971 Ų7132%0.32238%0.382SS..EExtended strand (participates in β ladder)trans-121.8160.7171.966.9-173.8175.100110.5R253 G273 Y290 L291 I293R253-E271 IonicContact CZ-OE1 3.32Å; R253-E271 IonicContact NH1-OE1 3.4Å; R253-E271 PolarHBondContact NH1-OE1 3.32Å; R253-E271 IonicContact NH2-OE1 3.33Å; R253-E271 PolarHBondContact NH2-OE1 2.89Å; E271-G273 PolarHBondContact O-N 3.17Å; E271-Y290 CarbonylContact O-C 3.59Å; E271-Y290 VanDerWaalsContact O-CA 3.25Å; E271-Y290 WeakPolarHBondContact O-CA 3.36Å; E271-L291 HydrophobicContact CG-CB 3.82Å; E271-L291 PolarHBondContact N-O 2.94Å; E271-L291 PolarHBondContact O-N 2.65Å; E271-I293 HydrophobicContact CB-CD1 4.44Å
272P94.4Very high91.1Very high94 Ų9469 Ų6961%0.6137%0.372SS*.EExtended strand (participates in β ladder)trans-55132.1174.1-24.735.1000111.6
273G88.7Confident90.9Very high2 Ų268.9 Ų68.92%0.02137%0.369CS..  trans-90.2-28.3-17700000114.3E271 G275 R278 T289E271-G273 PolarHBondContact O-N 3.17Å; G273-G275 PolarHBondContact O-N 3.07Å; G273-R278 VanDerWaalsContact O-CZ 3.25Å; G273-R278 PolarHBondContact O-NH1 3.07Å; G273-R278 PolarHBondContact O-NH2 3.26Å; G273-T289 PolarHBondContact N-O 3.34Å
274D89.6Confident90.7Very high109 Ų10973.1 Ų73.158%0.58339%0.389SS*.  trans51.433.3-175-56.8-34.1000114.1Q276 S277 R278D274-Q276 PolarHBondContact O-N 2.88Å; D274-Q276 VanDerWaalsContact O-N 3.12Å; D274-S277 WeakPolarHBondContact O-CB 3.25Å; D274-S277 PolarHBondContact O-N 3.33Å; D274-S277 PolarHBondContact O-OG 2.86Å; D274-R278 PolarHBondContact O-NH1 3.29Å
275G86Confident90.4Very high0 Ų077.6 Ų77.60%041%0.41CS..G310 helixtrans-56.3-29.4-177.500000114.3G273 S277 R278 D279 T289G273-G275 PolarHBondContact O-N 3.07Å; G275-S277 PolarHBondContact O-N 2.97Å; G275-S277 VanDerWaalsContact O-N 3.17Å; G275-R278 PolarHBondContact O-N 2.79Å; G275-D279 PolarHBondContact O-N 3.43Å; G275-D279 VanDerWaalsContact O-N 3.08Å; G275-T289 PolarHBondContact N-OG1 3.48Å
276Q88.6Confident90.5Very high80 Ų8072.8 Ų72.837%0.37440%0.4SS..G310 helixtrans-61.1-22.6177.3-58.2176.80.600113.7D274 R278 K283 V287D274-Q276 PolarHBondContact O-N 2.88Å; D274-Q276 VanDerWaalsContact O-N 3.12Å; Q276-R278 VanDerWaalsContact C-N 3.33Å; Q276-K283 HydrophobicContact CB-CB 4.19Å; Q276-K283 HydrophobicContact CB-CG 4.5Å; Q276-V287 PolarHBondContact NE2-O 3.01Å
277S89.8Confident90.6Very high95 Ų9570.6 Ų70.666%0.66437%0.373SS*.G310 helixtrans-77.6-20.9175.565.40000113D274 G275D274-S277 WeakPolarHBondContact O-CB 3.25Å; D274-S277 PolarHBondContact O-N 3.33Å; D274-S277 PolarHBondContact O-OG 2.86Å; G275-S277 PolarHBondContact O-N 2.97Å; G275-S277 VanDerWaalsContact O-N 3.17Å
278R91.4Very high90.8Very high105 Ų10571 Ų7140%0.39637%0.372SS..THydrogen-bonded Turntrans-111.2-22.8-170.4-63.7-177-61.3-87.40.4113.9G248 G273 D274 G275 Q276G248-R278 PolarHBondContact O-NE 3.35Å; G248-R278 PolarHBondContact O-NH2 3.32Å; G273-R278 VanDerWaalsContact O-CZ 3.25Å; G273-R278 PolarHBondContact O-NH1 3.07Å; G273-R278 PolarHBondContact O-NH2 3.26Å; D274-R278 PolarHBondContact O-NH1 3.29Å; G275-R278 PolarHBondContact O-N 2.79Å; Q276-R278 VanDerWaalsContact C-N 3.33Å
279D91.4Very high91Very high21 Ų2169.7 Ų69.711%0.11237%0.369CS..  trans-132.7130.7178.3179.6-82.5000110.9H244 G275 Y281 L282 K283H244-D279 IonicContact CG-OD1 3.7Å; H244-D279 IonicContact ND1-OD1 3.25Å; H244-D279 PolarHBondContact ND1-OD1 2.94Å; H244-D279 IonicContact ND1-OD2 2.69Å; H244-D279 PolarHBondContact ND1-OD2 2.72Å; H244-D279 VanDerWaalsContact ND1-OD2 3.08Å; G275-D279 PolarHBondContact O-N 3.43Å; G275-D279 VanDerWaalsContact O-N 3.08Å; D279-Y281 WeakPolarHBondContact OD1-CA 3.34Å; D279-Y281 WeakPolarHBondContact OD1-CB 3.45Å; D279-Y281 PolarHBondContact OD1-N 3.46Å; D279-L282 HydrophobicContact CB-CB 4.46Å; D279-L282 HydrophobicContact CB-CD1 4.01Å; D279-L282 HydrophobicContact CB-CG 4.07Å; D279-L282 PolarHBondContact OD1-N 3.3Å; D279-K283 PolarHBondContact O-N 3.47Å
280S89.8Confident91.1Very high95 Ų9566.7 Ų66.766%0.66435%0.354SS*.Hα-helixtrans-70.5-32.8-175.753.90000112.9K283 E284S280-K283 WeakPolarHBondContact O-CB 3.41Å; S280-K283 PolarHBondContact O-N 2.91Å; S280-E284 WeakPolarHBondContact O-CB 3.27Å; S280-E284 PolarHBondContact O-N 2.81Å
281Y88.9Confident91.2Very high47 Ų4765.3 Ų65.318%0.18435%0.345CS..Hα-helixtrans-68-43.7-179.7-177.8-90.4000110.5L241 H244 D279 K283 E284 H285L241-Y281 HydrophobicContact CD1-CE1 4.16Å; H244-Y281 HydrophobicContact CB-CD1 3.83Å; H244-Y281 HydrophobicContact CB-CG 4.4Å; H244-Y281 AromaticContact CD2-CD1 3.46Å; H244-Y281 VanDerWaalsContact CD2-CD1 3.46Å; H244-Y281 WeakPolarHBondContact CD2-CD1 3.47Å; H244-Y281 AromaticContact CD2-CE1 3.91Å; H244-Y281 AromaticContact CD2-CG 3.55Å; H244-Y281 AromaticContact CE1-CG 3.96Å; H244-Y281 AromaticContact CG-CD1 3.58Å; H244-Y281 AromaticContact CG-CG 3.73Å; H244-Y281 WeakPolarHBondContact ND1-CB 3.37Å; H244-Y281 AromaticContact ND1-CG 3.98Å; H244-Y281 AromaticContact NE2-CD2 3.94Å; H244-Y281 AromaticContact NE2-CG 3.74Å; D279-Y281 WeakPolarHBondContact OD1-CA 3.34Å; D279-Y281 WeakPolarHBondContact OD1-CB 3.45Å; D279-Y281 PolarHBondContact OD1-N 3.46Å; Y281-K283 VanDerWaalsContact C-N 3.25Å; Y281-K283 PolarHBondContact O-N 3.29Å; Y281-E284 PolarHBondContact O-N 3.1Å; Y281-H285 AromaticContact CD2-CE1 3.51Å; Y281-H285 AromaticContact CD2-ND1 3.73Å; Y281-H285 AromaticContact CE1-ND1 3.95Å; Y281-H285 AromaticContact CE2-CE1 3.15Å; Y281-H285 WeakPolarHBondContact CE2-CE1 3.3Å; Y281-H285 AromaticContact CE2-ND1 3.67Å; Y281-H285 AromaticContact CE2-NE2 3.68Å; Y281-H285 AromaticContact CG-ND1 3.89Å; Y281-H285 AromaticContact CZ-CE1 3.52Å; Y281-H285 AromaticContact CZ-ND1 3.77Å; Y281-H285 AromaticContact CZ-NE2 3.7Å; Y281-H285 WeakPolarHBondContact O-CB 3.48Å; Y281-H285 PolarHBondContact O-N 3.45Å; Y281-H285 PolarHBondContact O-ND1 3.44Å
282L91.7Very high91.3Very high0 Ų062 Ų620%033%0.33CS..Hα-helixtrans-61.7-34.6175-59.8-179.6000112.3L241 H244 M245 D279 S286 V287 T289L241-L282 HydrophobicContact CD1-CD2 3.53Å; H244-L282 HydrophobicContact CB-CD2 4.11Å; H244-L282 HydrophobicContact CB-CG 4.37Å; M245-L282 HydrophobicContact CG-CD2 4.41Å; M245-L282 HydrophobicContact SD-CD1 4.14Å; M245-L282 HydrophobicContact SD-CD2 3.79Å; D279-L282 HydrophobicContact CB-CB 4.46Å; D279-L282 HydrophobicContact CB-CD1 4.01Å; D279-L282 HydrophobicContact CB-CG 4.07Å; D279-L282 PolarHBondContact OD1-N 3.3Å; L282-S286 PolarHBondContact O-N 2.91Å; L282-V287 HydrophobicContact CD2-CB 4.25Å; L282-V287 HydrophobicContact CD2-CG1 4.44Å; L282-V287 HydrophobicContact CD2-CG2 4.43Å; L282-V287 PolarHBondContact O-N 2.86Å; L282-T289 HydrophobicContact CD1-CG2 4.43Å
283K90.3Very high91.1Very high139 Ų13960.1 Ų60.160%0.60431%0.314SS*.Hα-helixtrans-69.3-48.6176.2-172.7179.8177.5-178.30112Q276 D279 S280 Y281 H285 S286Q276-K283 HydrophobicContact CB-CB 4.19Å; Q276-K283 HydrophobicContact CB-CG 4.5Å; D279-K283 PolarHBondContact O-N 3.47Å; S280-K283 WeakPolarHBondContact O-CB 3.41Å; S280-K283 PolarHBondContact O-N 2.91Å; Y281-K283 VanDerWaalsContact C-N 3.25Å; Y281-K283 PolarHBondContact O-N 3.29Å; K283-H285 VanDerWaalsContact C-N 3.32Å; K283-H285 PolarHBondContact O-N 2.97Å; K283-S286 PolarHBondContact O-N 3.09Å
284E89.7Confident90.9Very high152 Ų15261.6 Ų61.671%0.7132%0.322SS*.Hα-helixtrans-61.5-40.6-179.6-175.3172.6-164.400111.9S280 Y281 S286S280-E284 WeakPolarHBondContact O-CB 3.27Å; S280-E284 PolarHBondContact O-N 2.81Å; Y281-E284 PolarHBondContact O-N 3.1Å; E284-S286 VanDerWaalsContact C-N 3.28Å; E284-S286 PolarHBondContact O-N 2.82Å
285H88Confident90.3Very high96 Ų9659.6 Ų59.644%0.44432%0.315SS..THydrogen-bonded Turntrans-87.36.4179.6-63.973.5000113.3Y281 K283 V287Y281-H285 AromaticContact CD2-CE1 3.51Å; Y281-H285 AromaticContact CD2-ND1 3.73Å; Y281-H285 AromaticContact CE1-ND1 3.95Å; Y281-H285 AromaticContact CE2-CE1 3.15Å; Y281-H285 WeakPolarHBondContact CE2-CE1 3.3Å; Y281-H285 AromaticContact CE2-ND1 3.67Å; Y281-H285 AromaticContact CE2-NE2 3.68Å; Y281-H285 AromaticContact CG-ND1 3.89Å; Y281-H285 AromaticContact CZ-CE1 3.52Å; Y281-H285 AromaticContact CZ-ND1 3.77Å; Y281-H285 AromaticContact CZ-NE2 3.7Å; Y281-H285 WeakPolarHBondContact O-CB 3.48Å; Y281-H285 PolarHBondContact O-N 3.45Å; Y281-H285 PolarHBondContact O-ND1 3.44Å; K283-H285 VanDerWaalsContact C-N 3.32Å; K283-H285 PolarHBondContact O-N 2.97Å; H285-V287 HydrophobicContact CB-CG2 3.82Å; H285-V287 PolarHBondContact O-N 3.42Å; H285-V287 VanDerWaalsContact O-N 3.15Å
286S91.1Very high89.5Confident90 Ų9064.9 Ų64.963%0.62934%0.337SS*.THydrogen-bonded Turntrans50.638.3178.3-60.60000114.1L282 K283 E284 V288L282-S286 PolarHBondContact O-N 2.91Å; K283-S286 PolarHBondContact O-N 3.09Å; E284-S286 VanDerWaalsContact C-N 3.28Å; E284-S286 PolarHBondContact O-N 2.82Å; S286-V288 PolarHBondContact O-N 2.9Å
287V90.7Very high88Confident21 Ų2167.3 Ų67.313%0.12735%0.351CS..  trans-76.8124.9-174.2-178.20000110.2L241 Q276 L282 H285 T289L241-V287 HydrophobicContact CD1-CG1 4.3Å; L241-V287 HydrophobicContact CD1-CG2 3.94Å; Q276-V287 PolarHBondContact NE2-O 3.01Å; L282-V287 HydrophobicContact CD2-CB 4.25Å; L282-V287 HydrophobicContact CD2-CG1 4.44Å; L282-V287 HydrophobicContact CD2-CG2 4.43Å; L282-V287 PolarHBondContact O-N 2.86Å; H285-V287 HydrophobicContact CB-CG2 3.82Å; H285-V287 PolarHBondContact O-N 3.42Å; H285-V287 VanDerWaalsContact O-N 3.15Å; V287-T289 HydrophobicContact CG1-CG2 3.97Å
288V93.1Very high85.9Confident72 Ų7268.5 Ų68.544%0.43635%0.346SS..  trans-82.4131.1173.8-176.10000109.5S258 S286 Y290S258-V288 PolarHBondContact N-O 3.27Å; S286-V288 PolarHBondContact O-N 2.9Å; V288-Y290 HydrophobicContact CG1-CE2 3.84Å
289T95.5Very high83.8Confident9 Ų974 Ų746%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-134.2152.5-168.758.70000112.6M245 H255 G273 G275 L282 V287M245-T289 HydrophobicContact CE-CG2 3.68Å; M245-T289 HydrophobicContact SD-CG2 3.52Å; M245-T289 VanDerWaalsContact SD-CG2 3.52Å; H255-T289 VanDerWaalsContact NE2-CB 3.26Å; H255-T289 WeakPolarHBondContact NE2-CB 3.37Å; H255-T289 PolarHBondContact NE2-OG1 3.44Å; G273-T289 PolarHBondContact N-O 3.34Å; G275-T289 PolarHBondContact N-OG1 3.48Å; L282-T289 HydrophobicContact CD1-CG2 4.43Å; V287-T289 HydrophobicContact CG1-CG2 3.97Å
290Y96.6Very high81.4Confident63 Ų6381.2 Ų81.225%0.24740%0.399CS..EExtended strand (participates in β ladder)trans-139.1151.1-174.4-57.4-87.9000111.7H255 I256 L261 V270 E271 V288H255-Y290 PolarHBondContact CD2-O 3.31Å; I256-Y290 PolarHBondContact N-O 3.14Å; I256-Y290 PolarHBondContact O-N 3.13Å; L261-Y290 HydrophobicContact CB-CD2 4.36Å; L261-Y290 HydrophobicContact CD2-CD1 4.18Å; L261-Y290 HydrophobicContact CD2-CD2 3.77Å; L261-Y290 HydrophobicContact CD2-CE1 4.03Å; L261-Y290 HydrophobicContact CD2-CE2 3.62Å; L261-Y290 HydrophobicContact CD2-CG 4.05Å; V270-Y290 HydrophobicContact CG2-CD1 3.94Å; V270-Y290 HydrophobicContact CG2-CG 4.25Å; E271-Y290 CarbonylContact O-C 3.59Å; E271-Y290 VanDerWaalsContact O-CA 3.25Å; E271-Y290 WeakPolarHBondContact O-CA 3.36Å; V288-Y290 HydrophobicContact CG1-CE2 3.84Å
291L96.4Very high78.4Confident12 Ų1281.7 Ų81.76%0.06340%0.402CS..EExtended strand (participates in β ladder)trans-106.1131.4170.8-66.4166.8000109.9V250 R253 H255 V270 E271V250-L291 HydrophobicContact CB-CD2 4.43Å; V250-L291 HydrophobicContact CG2-CD1 4.11Å; V250-L291 HydrophobicContact CG2-CD2 4.39Å; R253-L291 HydrophobicContact CB-CD2 3.98Å; H255-L291 HydrophobicContact CB-CD2 3.9Å; V270-L291 CarbonylContact C-O 3.57Å; V270-L291 VanDerWaalsContact CA-O 3.3Å; V270-L291 WeakPolarHBondContact CA-O 3.13Å; E271-L291 HydrophobicContact CG-CB 3.82Å; E271-L291 PolarHBondContact N-O 2.94Å; E271-L291 PolarHBondContact O-N 2.65Å
292V95.3Very high76.1Confident1 Ų184.8 Ų84.81%0.00643%0.428CS..EExtended strand (participates in β ladder)trans-74.5134.6178.3-1790000109.8V188 L192 R253 V254 I256 Y268 V270V188-V292 HydrophobicContact CG1-CG1 4.06Å; V188-V292 HydrophobicContact CG1-CG2 3.95Å; L192-V292 HydrophobicContact CD1-CG1 4.36Å; L192-V292 HydrophobicContact CD2-CG1 4.45Å; R253-V292 PolarHBondContact NE-O 2.87Å; R253-V292 PolarHBondContact NH2-O 2.98Å; V254-V292 HydrophobicContact CB-CB 4.23Å; V254-V292 HydrophobicContact CB-CG2 4.33Å; V254-V292 HydrophobicContact CG1-CG2 4.32Å; V254-V292 PolarHBondContact O-N 2.99Å; I256-V292 HydrophobicContact CD1-CG2 3.88Å; I256-V292 HydrophobicContact CG1-CG2 4.19Å; I256-V292 HydrophobicContact CG2-CG2 3.68Å; Y268-V292 HydrophobicContact CD1-CG1 4.07Å; Y268-V292 HydrophobicContact CG-CG1 4.17Å; V270-V292 HydrophobicContact CG1-CG2 4.34Å
293I90.6Very high73.8Confident54 Ų5493.4 Ų93.428%0.27747%0.473SS..PPolyproline II helixtrans-88.5120.9173.7-61170.5000107.8K269 E271 P295K269-I293 HydrophobicContact CB-CB 4.23Å; K269-I293 HydrophobicContact CB-CD1 4.08Å; K269-I293 WeakPolarHBondContact O-CB 3.13Å; K269-I293 PolarHBondContact O-N 2.84Å; E271-I293 HydrophobicContact CB-CD1 4.44Å; I293-P295 VanDerWaalsContact O-CD 3.29Å; I293-P295 WeakPolarHBondContact O-CD 3.4Å
294N84.4Confident71.2Confident33 Ų3394.3 Ų94.318%0.17648%0.484CS..PPolyproline II helixtrans-71.8116.1-178.9-172.9-16.9000110.2L192 K296 M297L192-N294 HydrophobicContact CD2-CB 4.07Å; N294-K296 PolarHBondContact O-N 3.06Å; N294-K296 VanDerWaalsContact O-N 3.13Å; N294-K296 WeakPolarHBondContact OD1-CB 3.35Å; N294-K296 PolarHBondContact OD1-N 3.18Å; N294-M297 HydrophobicContact CB-CG 4.4Å; N294-M297 PolarHBondContact O-N 3.46Å
295P76.3Confident68.7Low67 Ų6790.7 Ų90.744%0.43549%0.487SS..THydrogen-bonded Turntrans-64.4-20.8-178.626.2-34.7000113.1I293 M297I293-P295 VanDerWaalsContact O-CD 3.29Å; I293-P295 WeakPolarHBondContact O-CD 3.4Å; P295-M297 VanDerWaalsContact C-N 3.33Å
296K69.2Low66.3Low110 Ų11092.5 Ų92.548%0.47851%0.505SS..THydrogen-bonded Turntrans-74.8-20.4177-64.7173.5176.2167.80112.8D193 E196 N294D193-K296 IonicContact OD1-NZ 3.95Å; E196-K296 WeakPolarHBondContact OE2-CD 3.17Å; E196-K296 IonicContact OE2-NZ 3.46Å; E196-K296 PolarHBondContact OE2-NZ 2.79Å; N294-K296 PolarHBondContact O-N 3.06Å; N294-K296 VanDerWaalsContact O-N 3.13Å; N294-K296 WeakPolarHBondContact OD1-CB 3.35Å; N294-K296 PolarHBondContact OD1-N 3.18Å
297M58.9Low63.6Low132 Ų13299.5 Ų99.565%0.6552%0.517SS*.THydrogen-bonded Turntrans-72.4-31.2176.8-85.9-179.5127.500112.6N294 P295 R299 H300N294-M297 HydrophobicContact CB-CG 4.4Å; N294-M297 PolarHBondContact O-N 3.46Å; P295-M297 VanDerWaalsContact C-N 3.33Å; M297-R299 PolarHBondContact O-N 3.26Å; M297-H300 PolarHBondContact O-N 3.35Å
298E45.5Very low61.1Low120 Ų120103 Ų10356%0.56154%0.543SS*.THydrogen-bonded Turntrans-65.7-21.7178.9-75.8-178.2173.800112.9K269K269-E298 IonicContact NZ-OE1 2.7Å; K269-E298 PolarHBondContact NZ-OE1 3.34Å; K269-E298 IonicContact NZ-OE2 3.41Å
299R46.5Very low58.4Low220 Ų220110.7 Ų110.783%0.8356%0.564SS**THydrogen-bonded Turntrans-89.50.1-178-67.2-173-172.1-179.42114.9M297M297-R299 PolarHBondContact O-N 3.26Å
300H40.2Very low55.7Low172 Ų172115.2 Ų115.280%0.79659%0.593SS**  trans-122.968.9179.4-77.315.4000111.4M297M297-H300 PolarHBondContact O-N 3.35Å
301S28.7Very low53.1Low105 Ų105116.7 Ų116.773%0.73461%0.613SS**  trans-128.4116.7139.936.40000105.6
302P39Very low50.6Low112 Ų112124.2 Ų124.273%0.72765%0.652SS**SBend-131.8165.473.826.3-6.7000114.4L304P302-L304 PolarHBondContact O-N 2.86Å
303L44.3Very low48.2Very low182 Ų182130.4 Ų130.495%0.95369%0.685SS**  trans-32.8103.9165.3-71.8127.6000113.1
304L35.8Very low46.1Very low158 Ų158128.8 Ų128.883%0.82768%0.682SS**  trans-124.3107.1158.4-103.5151.4000106.4P302 V306P302-L304 PolarHBondContact O-N 2.86Å; L304-V306 PolarHBondContact O-N 2.59Å; L304-V306 VanDerWaalsContact O-N 3.13Å
305G37.6Very low44.5Very low75 Ų75131.2 Ų131.277%0.77371%0.714SS**  trans-49.2118.8-178.400000110.6R307G305-R307 VanDerWaalsContact C-N 3.27Å; G305-R307 PolarHBondContact O-N 3.06Å
306V36.7Very low43.6Very low134 Ų134137.3 Ų137.381%0.81273%0.734SS**  trans-61.195.1167.3177.70000106.4L304 S308L304-V306 PolarHBondContact O-N 2.59Å; L304-V306 VanDerWaalsContact O-N 3.13Å; V306-S308 PolarHBondContact O-N 3.11Å
307R34.6Very low43.5Very low237 Ų237135.3 Ų135.389%0.89473%0.727SS**  trans-66.190.7154-94.6-176.9172.5176.1-2.1105.7G305 R309G305-R307 VanDerWaalsContact C-N 3.27Å; G305-R307 PolarHBondContact O-N 3.06Å; R307-R309 VanDerWaalsContact C-N 3.29Å; R307-R309 PolarHBondContact O-N 3.44Å
308S37Very low44.3Very low95 Ų95134.7 Ų134.766%0.66472%0.718SS**  trans-54.3101.4153.837.30000106.3V306 P310V306-S308 PolarHBondContact O-N 3.11Å; S308-P310 WeakPolarHBondContact O-CD 3.4Å
309R36.9Very low45.8Very low234 Ų234130.6 Ų130.688%0.88371%0.705SS**  trans-69.1111.9158.6-84.9-174.8173.4-179.3-1.4104.9R307 S311R307-R309 VanDerWaalsContact C-N 3.29Å; R307-R309 PolarHBondContact O-N 3.44Å; R309-S311 PolarHBondContact O-N 2.9Å; R309-S311 VanDerWaalsContact O-N 3.1Å
310P38.4Very low47.2Very low103 Ų103120.2 Ų120.267%0.66967%0.666SS**  trans-70.9109164.55.813000104.7S308 L312S308-P310 WeakPolarHBondContact O-CD 3.4Å; P310-L312 VanDerWaalsContact C-N 3.33Å; P310-L312 PolarHBondContact O-N 3.17Å
311S42.7Very low49.1Very low94 Ų94113.7 Ų113.766%0.65764%0.638SS**  trans-61.6107.8157.3590000105.5R309 D313 G314R309-S311 PolarHBondContact O-N 2.9Å; R309-S311 VanDerWaalsContact O-N 3.1Å; S311-D313 PolarHBondContact O-N 2.91Å; S311-G314 PolarHBondContact O-N 3.34Å
312L43.9Very low51.6Low171 Ų171112.8 Ų112.890%0.89562%0.618SS**THydrogen-bonded Turntrans-63.610.6-170.1-139.781.1000114.4P310P310-L312 VanDerWaalsContact C-N 3.33Å; P310-L312 PolarHBondContact O-N 3.17Å
313D44.8Very low53.5Low131 Ų131107.6 Ų107.670%0.70158%0.584SS**THydrogen-bonded Turntrans-132.22.4-177.3-147.718.9000114S311 G315S311-D313 PolarHBondContact O-N 2.91Å; D313-G315 PolarHBondContact O-N 3.19Å
314G46.8Very low55.2Low19 Ų1999.5 Ų99.520%0.19654%0.542CS..G310 helixtrans-80.5-10.8-174.400000116S311S311-G314 PolarHBondContact O-N 3.34Å
315G50.6Low57.3Low84 Ų8499.3 Ų99.387%0.86653%0.531SS*.G310 helixtrans-78.9-13.7-174.700000115.2D313D313-G315 PolarHBondContact O-N 3.19Å
316K56.7Low59.4Low196 Ų19699.3 Ų99.385%0.85251%0.508SS*.G310 helixtrans-94-9.2-179.2-70-179.5179.4173.90114
317M66.9Low61.5Low67 Ų6792.9 Ų92.933%0.3347%0.469SS..SBendtrans-102.1133.8-169.9-144.5175.1-161.100111.5V321 R322 R325M317-V321 HydrophobicContact CE-CB 4.23Å; M317-V321 HydrophobicContact CE-CG1 3.22Å; M317-V321 HydrophobicContact CG-CB 4.08Å; M317-V321 HydrophobicContact CG-CG1 4.08Å; M317-V321 HydrophobicContact SD-CB 4.42Å; M317-V321 HydrophobicContact SD-CG1 3.89Å; M317-R322 HydrophobicContact CB-CG 3.99Å; M317-R322 HydrophobicContact CG-CG 4.48Å; M317-R325 PolarHBondContact SD-NH1 2.98Å
318R77.6Confident63.6Low119 Ų11986.5 Ų86.545%0.44945%0.449SS..  trans-56.3145178-163176.9-165.3-178.97.3110.7D134 S320 V321 R322D134-R318 VanDerWaalsContact CA-CZ 3.46Å; D134-R318 WeakPolarHBondContact O-CD 3.45Å; D134-R318 PolarHBondContact O-NE 3.02Å; D134-R318 PolarHBondContact O-NH1 3.41Å; D134-R318 PolarHBondContact O-NH2 2.86Å; D134-R318 IonicContact OD1-CZ 3.45Å; D134-R318 IonicContact OD1-NE 2.73Å; D134-R318 IonicContact OD1-NH2 3Å; D134-R318 PolarHBondContact OD1-NH2 3.44Å; R318-S320 VanDerWaalsContact C-N 3.27Å; R318-S320 WeakPolarHBondContact CD-OG 3.48Å; R318-S320 WeakPolarHBondContact CG-OG 3.45Å; R318-S320 PolarHBondContact O-N 3.18Å; R318-V321 HydrophobicContact CB-CG2 4.15Å; R318-V321 PolarHBondContact O-N 3.41Å; R318-V321 VanDerWaalsContact O-N 3.07Å; R318-R322 PolarHBondContact O-N 3.5Å; R318-R322 VanDerWaalsContact O-N 3.14Å
319A76.4Confident65.6Low35 Ų3586.1 Ų86.129%0.28945%0.447SS..Hα-helixtrans-53.9-42.4-179.700000112.9L131 V207 V321 R322 M323L131-A319 HydrophobicContact CD1-CB 4.18Å; V207-A319 HydrophobicContact CG2-CB 3.91Å; A319-V321 PolarHBondContact O-N 3.25Å; A319-R322 PolarHBondContact O-N 3.41Å; A319-M323 WeakPolarHBondContact O-CB 3.44Å; A319-M323 PolarHBondContact O-N 3.28Å
320S76.1Confident67.7Low1 Ų178.1 Ų78.11%0.00742%0.417CS..Hα-helixtrans-57.4-46175.353.20000112.4D134 C135 R318 R322 M323 T324D134-S320 PolarHBondContact O-OG 3.49Å; C135-S320 WeakPolarHBondContact SG-CB 3.43Å; R318-S320 VanDerWaalsContact C-N 3.27Å; R318-S320 WeakPolarHBondContact CD-OG 3.48Å; R318-S320 WeakPolarHBondContact CG-OG 3.45Å; R318-S320 PolarHBondContact O-N 3.18Å; S320-R322 PolarHBondContact O-N 3.14Å; S320-M323 WeakPolarHBondContact O-CB 3.41Å; S320-M323 PolarHBondContact O-N 3.49Å; S320-T324 PolarHBondContact O-N 2.92Å; S320-T324 PolarHBondContact O-OG1 2.88Å
321V78.8Confident69.2Low35 Ų3575.5 Ų75.521%0.21241%0.408CS..Hα-helixtrans-69.7-37.7-177.7-172.60000112.2M317 R318 A319 M323 T324 R325M317-V321 HydrophobicContact CE-CB 4.23Å; M317-V321 HydrophobicContact CE-CG1 3.22Å; M317-V321 HydrophobicContact CG-CB 4.08Å; M317-V321 HydrophobicContact CG-CG1 4.08Å; M317-V321 HydrophobicContact SD-CB 4.42Å; M317-V321 HydrophobicContact SD-CG1 3.89Å; R318-V321 HydrophobicContact CB-CG2 4.15Å; R318-V321 PolarHBondContact O-N 3.41Å; R318-V321 VanDerWaalsContact O-N 3.07Å; A319-V321 PolarHBondContact O-N 3.25Å; V321-M323 VanDerWaalsContact C-N 3.31Å; V321-M323 PolarHBondContact O-N 2.78Å; V321-T324 PolarHBondContact O-N 3.05Å; V321-R325 WeakPolarHBondContact O-CB 3.39Å; V321-R325 PolarHBondContact O-N 3.47Å
322R81.3Confident70.4Confident87 Ų8772 Ų7233%0.32839%0.385SS..Hα-helixtrans-61.8-42173.2-66.8-170.3-63.3166.85.8111.4T205 M317 R318 A319 S320 Y326T205-R322 VanDerWaalsContact O-CZ 3.25Å; T205-R322 PolarHBondContact O-NH1 3.45Å; T205-R322 PolarHBondContact O-NH2 3.07Å; M317-R322 HydrophobicContact CB-CG 3.99Å; M317-R322 HydrophobicContact CG-CG 4.48Å; R318-R322 PolarHBondContact O-N 3.5Å; R318-R322 VanDerWaalsContact O-N 3.14Å; A319-R322 PolarHBondContact O-N 3.41Å; S320-R322 PolarHBondContact O-N 3.14Å; R322-Y326 PolarHBondContact O-N 3.33Å
323M80.6Confident71.2Confident3 Ų366.2 Ų66.22%0.01536%0.362CS..Hα-helixtrans-61.7-53.4175.7-172.991.5173.200111.1M143 V201 T205 I209 A319 S320 V321 R325 Y326 L327M143-M323 HydrophobicContact CG-CG 3.94Å; M143-M323 HydrophobicContact SD-CG 4.39Å; V201-M323 HydrophobicContact CB-CE 4.47Å; V201-M323 HydrophobicContact CG1-CE 3.35Å; V201-M323 HydrophobicContact CG1-SD 3.24Å; V201-M323 WeakPolarHBondContact CG1-SD 3.22Å; T205-M323 HydrophobicContact CG2-SD 4.27Å; I209-M323 HydrophobicContact CD1-CE 3.44Å; I209-M323 VanDerWaalsContact CD1-CE 3.44Å; I209-M323 HydrophobicContact CD1-SD 3.88Å; A319-M323 WeakPolarHBondContact O-CB 3.44Å; A319-M323 PolarHBondContact O-N 3.28Å; S320-M323 WeakPolarHBondContact O-CB 3.41Å; S320-M323 PolarHBondContact O-N 3.49Å; V321-M323 VanDerWaalsContact C-N 3.31Å; V321-M323 PolarHBondContact O-N 2.78Å; M323-R325 PolarHBondContact O-N 3.16Å; M323-Y326 PolarHBondContact O-N 3.49Å; M323-L327 HydrophobicContact CE-CD1 4.06Å; M323-L327 HydrophobicContact CG-CD1 3.88Å; M323-L327 HydrophobicContact CG-CG 4.38Å; M323-L327 WeakPolarHBondContact O-CB 3.02Å; M323-L327 VanDerWaalsContact O-CG 3.31Å; M323-L327 WeakPolarHBondContact O-CG 3.4Å; M323-L327 PolarHBondContact O-N 3.21Å
324T79.5Confident72.3Confident11 Ų1163.3 Ų63.37%0.06734%0.343CS..Hα-helixtrans-56.4-49.1-179.3-54.90000111.4H142 S320 V321 Y326 L327 E328H142-T324 HydrophobicContact CB-CG2 4.34Å; S320-T324 PolarHBondContact O-N 2.92Å; S320-T324 PolarHBondContact O-OG1 2.88Å; V321-T324 PolarHBondContact O-N 3.05Å; T324-Y326 VanDerWaalsContact C-N 3.32Å; T324-Y326 PolarHBondContact O-N 3Å; T324-L327 PolarHBondContact O-N 2.88Å; T324-L327 VanDerWaalsContact O-N 3.17Å; T324-E328 WeakPolarHBondContact O-CG 3.07Å; T324-E328 PolarHBondContact O-N 3.42Å
325R80.1Confident73Confident154 Ų15462.7 Ų62.758%0.58134%0.336SS*.Hα-helixtrans-63.6-34.8179.8-174.3178-77.8164.9-6.9113.3M317 V321 M323M317-R325 PolarHBondContact SD-NH1 2.98Å; V321-R325 WeakPolarHBondContact O-CB 3.39Å; V321-R325 PolarHBondContact O-N 3.47Å; M323-R325 PolarHBondContact O-N 3.16Å
326Y81.4Confident73.5Confident75 Ų7559 Ų5929%0.29430%0.296SS..Hα-helixtrans-70.7-43.5174.4179.1-103.9000111.3V201 A204 T205 R322 M323 T324 E328 S329 W330V201-Y326 HydrophobicContact CB-CE1 4.42Å; V201-Y326 HydrophobicContact CG1-CD1 4.29Å; V201-Y326 HydrophobicContact CG2-CD1 4.42Å; V201-Y326 HydrophobicContact CG2-CE1 4.07Å; A204-Y326 HydrophobicContact CB-CD1 4.27Å; A204-Y326 HydrophobicContact CB-CD2 3.8Å; A204-Y326 HydrophobicContact CB-CE1 3.96Å; A204-Y326 HydrophobicContact CB-CE2 3.46Å; A204-Y326 VanDerWaalsContact CB-CE2 3.46Å; A204-Y326 HydrophobicContact CB-CG 4.18Å; T205-Y326 HydrophobicContact CG2-CD1 4.17Å; T205-Y326 HydrophobicContact CG2-CG 4.15Å; R322-Y326 PolarHBondContact O-N 3.33Å; M323-Y326 PolarHBondContact O-N 3.49Å; T324-Y326 VanDerWaalsContact C-N 3.32Å; T324-Y326 PolarHBondContact O-N 3Å; Y326-E328 VanDerWaalsContact C-N 3.32Å; Y326-E328 PolarHBondContact O-N 2.92Å; Y326-S329 VanDerWaalsContact O-CB 3.28Å; Y326-S329 WeakPolarHBondContact O-CB 3.46Å; Y326-S329 PolarHBondContact O-N 3.37Å; Y326-S329 VanDerWaalsContact O-N 3.11Å; Y326-S329 PolarHBondContact O-OG 3.43Å; Y326-W330 HydrophobicContact CE1-CZ2 4.19Å; Y326-W330 AromaticContact CE1-NE1 3.79Å
327L81.3Confident73.2Confident0 Ų050.7 Ų50.70%026%0.264CS..Hα-helixtrans-65.3-33.5179.6-71.9177.1000112.7M143 E146 L147 V201 M323 T324 S329 W330M143-L327 HydrophobicContact CB-CD1 4.29Å; M143-L327 HydrophobicContact CG-CD1 3.5Å; M143-L327 VanDerWaalsContact CG-CD1 3.5Å; E146-L327 HydrophobicContact CB-CB 3.7Å; E146-L327 HydrophobicContact CB-CD1 4.4Å; E146-L327 HydrophobicContact CG-CB 4.19Å; L147-L327 HydrophobicContact CB-CD1 4.44Å; V201-L327 HydrophobicContact CG2-CD2 4.13Å; M323-L327 HydrophobicContact CE-CD1 4.06Å; M323-L327 HydrophobicContact CG-CD1 3.88Å; M323-L327 HydrophobicContact CG-CG 4.38Å; M323-L327 WeakPolarHBondContact O-CB 3.02Å; M323-L327 VanDerWaalsContact O-CG 3.31Å; M323-L327 WeakPolarHBondContact O-CG 3.4Å; M323-L327 PolarHBondContact O-N 3.21Å; T324-L327 PolarHBondContact O-N 2.88Å; T324-L327 VanDerWaalsContact O-N 3.17Å; L327-S329 PolarHBondContact O-N 2.89Å; L327-W330 HydrophobicContact CD2-CD2 3.9Å; L327-W330 HydrophobicContact CD2-CE3 3.47Å; L327-W330 VanDerWaalsContact CD2-CE3 3.47Å; L327-W330 HydrophobicContact CD2-CH2 3.76Å; L327-W330 HydrophobicContact CD2-CZ2 4.11Å; L327-W330 HydrophobicContact CD2-CZ3 3.39Å; L327-W330 VanDerWaalsContact O-CB 3.25Å; L327-W330 WeakPolarHBondContact O-CB 3.11Å; L327-W330 PolarHBondContact O-N 3.14Å
328E78.6Confident72.4Confident102 Ų10251 Ų5148%0.47727%0.266SS..G310 helixtrans-52.7-29.5171.8-79169.4-174.100112.8H142 T324 Y326 W330 G331H142-E328 VanDerWaalsContact NE2-CG 3.28Å; H142-E328 WeakPolarHBondContact NE2-CG 3.36Å; H142-E328 IonicContact NE2-OE1 3.55Å; T324-E328 WeakPolarHBondContact O-CG 3.07Å; T324-E328 PolarHBondContact O-N 3.42Å; Y326-E328 VanDerWaalsContact C-N 3.32Å; Y326-E328 PolarHBondContact O-N 2.92Å; E328-W330 PolarHBondContact O-N 3.16Å; E328-G331 PolarHBondContact O-N 3.16Å
329S78.4Confident70.9Confident88 Ų8847.3 Ų47.362%0.61526%0.256SS*.G310 helixtrans-68.9-20176.677.60000113.7Y326 L327 G331Y326-S329 VanDerWaalsContact O-CB 3.28Å; Y326-S329 WeakPolarHBondContact O-CB 3.46Å; Y326-S329 PolarHBondContact O-N 3.37Å; Y326-S329 VanDerWaalsContact O-N 3.11Å; Y326-S329 PolarHBondContact O-OG 3.43Å; L327-S329 PolarHBondContact O-N 2.89Å; S329-G331 VanDerWaalsContact C-N 3.33Å
330W80.1Confident69.4Low66 Ų6649.7 Ų49.725%0.2526%0.26CS..G310 helixtrans-74.4-28.4175.8-66.2-0.3000111.7L147 K150 V201 Y326 L327 E328L147-W330 HydrophobicContact CD1-CH2 4.25Å; L147-W330 HydrophobicContact CD1-CZ3 3.89Å; K150-W330 HydrophobicContact CB-CD2 4.38Å; K150-W330 HydrophobicContact CB-CE3 3.41Å; K150-W330 VanDerWaalsContact CB-CE3 3.41Å; K150-W330 HydrophobicContact CB-CH2 4.4Å; K150-W330 HydrophobicContact CB-CZ3 3.42Å; K150-W330 VanDerWaalsContact CB-CZ3 3.42Å; K150-W330 HydrophobicContact CD-CD2 4.4Å; K150-W330 HydrophobicContact CD-CE3 4.19Å; K150-W330 HydrophobicContact CD-CZ3 4.49Å; K150-W330 HydrophobicContact CG-CD2 4.31Å; K150-W330 HydrophobicContact CG-CE3 3.69Å; K150-W330 HydrophobicContact CG-CH2 4.1Å; K150-W330 HydrophobicContact CG-CZ3 3.57Å; V201-W330 HydrophobicContact CG2-CH2 3.2Å; V201-W330 HydrophobicContact CG2-CZ2 3.25Å; V201-W330 HydrophobicContact CG2-CZ3 4.28Å; Y326-W330 HydrophobicContact CE1-CZ2 4.19Å; Y326-W330 AromaticContact CE1-NE1 3.79Å; L327-W330 HydrophobicContact CD2-CD2 3.9Å; L327-W330 HydrophobicContact CD2-CE3 3.47Å; L327-W330 VanDerWaalsContact CD2-CE3 3.47Å; L327-W330 HydrophobicContact CD2-CH2 3.76Å; L327-W330 HydrophobicContact CD2-CZ2 4.11Å; L327-W330 HydrophobicContact CD2-CZ3 3.39Å; L327-W330 VanDerWaalsContact O-CB 3.25Å; L327-W330 WeakPolarHBondContact O-CB 3.11Å; L327-W330 PolarHBondContact O-N 3.14Å; E328-W330 PolarHBondContact O-N 3.16Å
331G69.8Low67.8Low48 Ų4855.6 Ų55.650%0.49529%0.288SS..  trans60.448173.900000112.4E146 E328 S329E146-G331 PolarHBondContact OE2-N 3.06Å; E328-G331 PolarHBondContact O-N 3.16Å; S329-G331 VanDerWaalsContact C-N 3.33Å
332A68.6Low66Low20 Ų2058.5 Ų58.517%0.16530%0.295CS..PPolyproline II helixtrans-57.3144.8175.400000110.5E146 K334E146-A332 VanDerWaalsContact OE2-CB 3.29Å; E146-A332 WeakPolarHBondContact OE2-CB 3.4Å; E146-A332 PolarHBondContact OE2-N 2.76Å; A332-K334 PolarHBondContact O-N 2.93Å
333A61.4Low63.8Low50 Ų5058.5 Ų58.541%0.41330%0.302SS..PPolyproline II helixtrans-63.3141.3172.100000109.2A337 A847A333-A337 HydrophobicContact CB-CB 4.43Å; A333-A847 HydrophobicContact CB-CB 3.58Å; A333-A847 WeakPolarHBondContact O-CB 3.23Å
334K67.4Low61.4Low69 Ų6961.9 Ų61.930%0.333%0.325SS..PPolyproline II helixtrans-74.5155.5173.2-63.7-178.7177177.90110.2A332 F336 A337 E710 L712A332-K334 PolarHBondContact O-N 2.93Å; K334-F336 PolarHBondContact O-N 3.02Å; K334-A337 HydrophobicContact CB-CB 4.22Å; K334-A337 WeakPolarHBondContact O-CB 3.14Å; K334-A337 PolarHBondContact O-N 2.98Å; K334-E710 WeakPolarHBondContact CD-O 3.49Å; K334-E710 WeakPolarHBondContact CE-O 3.45Å; K334-E710 PolarHBondContact NZ-O 3.37Å; K334-L712 HydrophobicContact CB-CD2 4.48Å; K334-L712 HydrophobicContact CG-CD2 4.49Å
335P61.4Low59.3Low7 Ų768.9 Ų68.95%0.04536%0.359CS..THydrogen-bonded Turntrans-47.2131.5167.2-2636.7000109.8N145 A337 L712 V844 G846 P850N145-P335 WeakPolarHBondContact OD1-CD 3.3Å; P335-A337 PolarHBondContact O-N 3.43Å; P335-L712 HydrophobicContact CG-CD2 3.8Å; P335-V844 HydrophobicContact CB-CG1 4.1Å; P335-V844 HydrophobicContact CG-CG1 4.44Å; P335-G846 WeakPolarHBondContact CA-O 3.46Å; P335-P850 HydrophobicContact CB-CB 4.14Å
336F60.1Low56.9Low7 Ų768.5 Ų68.53%0.03137%0.374CS..THydrogen-bonded Turntrans60.612.1-179.5-43.4-72.4000115.3L72 K334 N338 L339 H340 L694 F702 V844 P850L72-F336 HydrophobicContact CD1-CD1 3.3Å; L72-F336 HydrophobicContact CD1-CE1 3.19Å; L72-F336 HydrophobicContact CD1-CZ 4.45Å; K334-F336 PolarHBondContact O-N 3.02Å; F336-N338 PolarHBondContact O-N 3.01Å; F336-L339 HydrophobicContact CB-CD1 3.68Å; F336-L339 HydrophobicContact CD1-CD1 3.78Å; F336-L339 HydrophobicContact CG-CD1 4.16Å; F336-L339 WeakPolarHBondContact O-CA 3.19Å; F336-L339 VanDerWaalsContact O-CB 3.28Å; F336-L339 WeakPolarHBondContact O-CB 3.44Å; F336-L339 PolarHBondContact O-N 2.88Å; F336-H340 PolarHBondContact O-CD2 3.35Å; F336-H340 PolarHBondContact O-N 3.27Å; F336-L694 HydrophobicContact CE1-CD1 4.34Å; F336-L694 HydrophobicContact CZ-CD1 3.74Å; F336-F702 HydrophobicContact CD2-CB 4.5Å; F336-F702 AromaticContact CD2-CD1 3.45Å; F336-F702 HydrophobicContact CD2-CD1 3.45Å; F336-F702 VanDerWaalsContact CD2-CD1 3.45Å; F336-F702 HydrophobicContact CD2-CD2 4.04Å; F336-F702 AromaticContact CD2-CE1 3.51Å; F336-F702 HydrophobicContact CD2-CE1 3.51Å; F336-F702 HydrophobicContact CD2-CE2 4.11Å; F336-F702 AromaticContact CD2-CG 3.73Å; F336-F702 HydrophobicContact CD2-CG 3.73Å; F336-F702 AromaticContact CD2-CZ 3.84Å; F336-F702 HydrophobicContact CD2-CZ 3.84Å; F336-F702 AromaticContact CE2-CD1 3.94Å; F336-F702 HydrophobicContact CE2-CD1 3.94Å; F336-F702 AromaticContact CE2-CD2 3.64Å; F336-F702 HydrophobicContact CE2-CD2 3.64Å; F336-F702 AromaticContact CE2-CE1 3.94Å; F336-F702 HydrophobicContact CE2-CE1 3.94Å; F336-F702 AromaticContact CE2-CE2 3.65Å; F336-F702 HydrophobicContact CE2-CE2 3.65Å; F336-F702 AromaticContact CE2-CG 3.8Å; F336-F702 HydrophobicContact CE2-CG 3.8Å; F336-F702 AromaticContact CE2-CZ 3.79Å; F336-F702 HydrophobicContact CE2-CZ 3.79Å; F336-F702 HydrophobicContact CG-CD1 4.29Å; F336-F702 HydrophobicContact CZ-CD2 4.48Å; F336-V844 HydrophobicContact CE2-CG1 3.94Å; F336-V844 HydrophobicContact CZ-CG1 4.42Å; F336-P850 HydrophobicContact CD1-CB 4.3Å; F336-P850 HydrophobicContact CD1-CG 3.6Å; F336-P850 HydrophobicContact CD2-CB 4.39Å; F336-P850 HydrophobicContact CE1-CB 3.63Å; F336-P850 HydrophobicContact CE1-CG 2.98Å; F336-P850 HydrophobicContact CE2-CB 3.75Å; F336-P850 HydrophobicContact CE2-CG 4.07Å; F336-P850 HydrophobicContact CG-CG 4.36Å; F336-P850 HydrophobicContact CZ-CB 3.33Å; F336-P850 HydrophobicContact CZ-CG 3.28Å
337A51.7Low54.6Low21 Ų2169.8 Ų69.817%0.17440%0.4CS..THydrogen-bonded Turntrans-57.1-28.6178.900000113.1A333 K334 P335 L339 H340 H341A333-A337 HydrophobicContact CB-CB 4.43Å; K334-A337 HydrophobicContact CB-CB 4.22Å; K334-A337 WeakPolarHBondContact O-CB 3.14Å; K334-A337 PolarHBondContact O-N 2.98Å; P335-A337 PolarHBondContact O-N 3.43Å; A337-L339 PolarHBondContact O-N 2.6Å; A337-H340 CarbonylContact O-C 3.49Å; A337-H340 PolarHBondContact O-N 3.08Å; A337-H340 VanDerWaalsContact O-N 3.16Å; A337-H341 PolarHBondContact O-N 3.35Å
338N48.9Very low52Low72 Ų7276.9 Ų76.939%0.38544%0.438SS..THydrogen-bonded Turntrans-66-19.5174-74.2-35.1000114.4R71 F336R71-N338 PolarHBondContact NH1-O 3.33Å; F336-N338 PolarHBondContact O-N 3.01Å
339L47.7Very low50.1Low43 Ų4380.6 Ų80.623%0.22546%0.462CS..THydrogen-bonded Turntrans-88.1-31.2171.9-71.9140.2000111.5Q68 L72 F336 A337Q68-L339 HydrophobicContact CB-CD2 3.87Å; Q68-L339 HydrophobicContact CG-CD2 4.34Å; L72-L339 HydrophobicContact CB-CD1 4.3Å; L72-L339 HydrophobicContact CD1-CD1 3.85Å; L72-L339 HydrophobicContact CD2-CD1 4.32Å; L72-L339 HydrophobicContact CG-CD1 4.41Å; F336-L339 HydrophobicContact CB-CD1 3.68Å; F336-L339 HydrophobicContact CD1-CD1 3.78Å; F336-L339 HydrophobicContact CG-CD1 4.16Å; F336-L339 WeakPolarHBondContact O-CA 3.19Å; F336-L339 VanDerWaalsContact O-CB 3.28Å; F336-L339 WeakPolarHBondContact O-CB 3.44Å; F336-L339 PolarHBondContact O-N 2.88Å; A337-L339 PolarHBondContact O-N 2.6Å
340H45.1Very low47.8Very low84 Ų8478.6 Ų78.639%0.38945%0.454SS..  trans-10421.7-173.1-64.2-76.4000114.7F336 A337 R342F336-H340 PolarHBondContact O-CD2 3.35Å; F336-H340 PolarHBondContact O-N 3.27Å; A337-H340 CarbonylContact O-C 3.49Å; A337-H340 PolarHBondContact O-N 3.08Å; A337-H340 VanDerWaalsContact O-N 3.16Å; H340-R342 PolarHBondContact O-N 2.8Å
341H41.5Very low45.4Very low126 Ų12685.1 Ų85.158%0.58349%0.485SS*.  trans-71.147.8172.9-99.1-37.5000113.1A337 Q373A337-H341 PolarHBondContact O-N 3.35Å; H341-Q373 PolarHBondContact O-OE1 2.81Å
342R41.4Very low43.4Very low96 Ų9690 Ų9036%0.36250%0.497SS..SBendtrans-140.374.4-169.1-170.5-172.5162.7166.14.4109.8H340H340-R342 PolarHBondContact O-N 2.8Å
343D35.2Very low41.5Very low87 Ų8796.2 Ų96.247%0.46553%0.528SS..  trans94.487.3161.9-43.1-40.7000117.3
344S30.8Very low40.2Very low74 Ų7499.4 Ų99.452%0.51754%0.543SS..  trans-100.499.9149.7109.30000108.8E710S344-E710 WeakPolarHBondContact CB-OE1 3.23Å
345M33.5Very low38.3Very low158 Ų158101.7 Ų101.778%0.77856%0.563SS**  trans-168.5101.4161.8-97-56.8164.600108
346T29.8Very low36.8Very low146 Ų146108.1 Ų108.190%0.89660%0.597SS**  trans-153.5129.9141.740.50000111.3
347A33.7Very low35.4Very low102 Ų102114.6 Ų114.684%0.84364%0.636SS**  trans69.390157.400000118.3
348D27.3Very low34.3Very low149 Ų149119 Ų11980%0.79766%0.663SS**  -141.6109.5123.4-155.44.4000110.7G350D348-G350 PolarHBondContact O-N 3.2Å
349N38.6Very low33.3Very low180 Ų180122.8 Ų122.896%0.96368%0.68SS**  trans-89.683160.4-103.4-6.5000105.5
350G30.7Very low32.3Very low45 Ų45124 Ų12446%0.46470%0.704SS.*  trans-137.6116.5178.900000109.8D348 I352D348-G350 PolarHBondContact O-N 3.2Å; G350-I352 PolarHBondContact O-N 3.28Å
351K29.3Very low31.7Very low204 Ų204126.5 Ų126.589%0.88772%0.715SS**  trans-47.9125.2179.4-73.7169.1171174.90112N353K351-N353 PolarHBondContact O-N 3.29Å
352I27.7Very low31Very low149 Ų149131.6 Ų131.676%0.76473%0.731SS**  trans-80.6107.4165-59.8171.7000107.3G350 T354G350-I352 PolarHBondContact O-N 3.28Å; I352-T354 HydrophobicContact CG2-CG2 3.9Å
353N27.4Very low30.2Very low151 Ų151137.7 Ų137.781%0.80776%0.756SS**  trans-82.4113.8157.4-80.3-4.2000107.5K351K351-N353 PolarHBondContact O-N 3.29Å
354T34.8Very low29.9Very low117 Ų117142.5 Ų142.572%0.71877%0.773SS**  trans-87119.7172.545.10000110.4I352I352-T354 HydrophobicContact CG2-CG2 3.9Å
355T28.5Very low29.8Very low118 Ų118148.4 Ų148.472%0.72479%0.792SS**  trans175.1123.4157.1420000104.8
356D28.8Very low29.9Very low142 Ų142151.6 Ų151.676%0.75980%0.795SS**  cis-160.9171.215.2-80.2-45.6000108.9
357V30.2Very low29.9Very low142 Ų142155.5 Ų155.586%0.86179%0.794SS**  trans116.3128.7159.4-168.60000115.4
358P29Very low29.6Very low113 Ų113159.6 Ų159.673%0.73480%0.795SS**  trans-111.1155.7-148.536.6-22.7000116.9
359M29.1Very low30Very low153 Ų153163.6 Ų163.675%0.75480%0.8SS**  trans61.8121.6147-96.1-67.2-90.100122.6Q361M359-Q361 HydrophobicContact CE-CG 4.28Å; M359-Q361 VanDerWaalsContact CE-OE1 3.24Å; M359-Q361 HydrophobicContact SD-CG 3.95Å
360G26.6Very low30.1Very low69 Ų69158.3 Ų158.371%0.71178%0.777SS**  trans-179.377.1161.400000110.1Y362G360-Y362 PolarHBondContact O-N 2.97Å; G360-Y362 VanDerWaalsContact O-N 3.14Å
361Q32.3Very low30.6Very low136 Ų136165.4 Ų165.464%0.63680%0.795SS**  trans-55.2108.7180-84.3161.5-51.400113.1M359M359-Q361 HydrophobicContact CE-CG 4.28Å; M359-Q361 VanDerWaalsContact CE-OE1 3.24Å; M359-Q361 HydrophobicContact SD-CG 3.95Å
362Y27Very low31.6Very low232 Ų232158.5 Ų158.591%0.9177%0.772SS**  trans-141.289.6146.9-81.4-80.8000107.8G360 F364G360-Y362 PolarHBondContact O-N 2.97Å; G360-Y362 VanDerWaalsContact O-N 3.14Å; Y362-F364 PolarHBondContact O-N 3.06Å
363Y23.4Very low32.4Very low224 Ų224156.2 Ų156.288%0.87876%0.758SS**  trans-71.797.1172.1-86.3-86000109.2
364F29.5Very low33.4Very low189 Ų189155.1 Ų155.183%0.82974%0.743SS**  trans-82.2115.9160.8-146.2-93.1000107.9Y362 R366Y362-F364 PolarHBondContact O-N 3.06Å; F364-R366 PolarHBondContact O-N 2.79Å
365Q29Very low34.5Very low198 Ų198155.8 Ų155.893%0.92574%0.736SS**  trans-54.396.5172-89.8169.1-35.100110.5
366R35Very low35.9Very low224 Ų224157.9 Ų157.985%0.84573%0.73SS**  trans-136.873.9174.1-160.5-178.9-157.5-175.36.8110.1F364F364-R366 PolarHBondContact O-N 2.79Å
367R30Very low37.5Very low229 Ų229153.8 Ų153.886%0.86471%0.706SS**SBendtrans-152.7-1.6163-124.4173.1-177.3-176.10.1119.3
368E27Very low39.2Very low187 Ų187151 Ų15187%0.87468%0.683SS**SBendtrans-110.9-4-177.2-80.9-174.6153.500117.3
369R37Very low41.3Very low234 Ų234150.2 Ų150.288%0.88367%0.67SS**SBendtrans-81.5-16.7-173-85.2-178.9173.4168.3-1.3116.8S372R369-S372 PolarHBondContact O-OG 2.88Å
370S40.5Very low43.2Very low69 Ų69146.4 Ų146.448%0.48365%0.65SS.*THydrogen-bonded Turntrans-80.4-24.1-167.2-158.40000114.8S372S370-S372 PolarHBondContact O-N 3.4Å
371K40.4Very low45.4Very low194 Ų194144 Ų14484%0.84362%0.621SS**THydrogen-bonded Turntrans-73.2-5.4178-73.8-178.1178177.10114.5
372S51.6Low47.5Very low59 Ų59141.2 Ų141.241%0.41361%0.611SS.*SBendtrans-90.8-32.2-161.5880000115.9R369 S370 R376R369-S372 PolarHBondContact O-OG 2.88Å; S370-S372 PolarHBondContact O-N 3.4Å; S372-R376 WeakPolarHBondContact O-CA 3.45Å; S372-R376 WeakPolarHBondContact O-CB 3.39Å; S372-R376 PolarHBondContact O-N 3.45Å
373Q43.4Very low50.1Low101 Ų101135 Ų13547%0.47259%0.59SS.*Hα-helixtrans-80-42.5-165.4-94.5-173.2-12.900115.9H341 R376 F377H341-Q373 PolarHBondContact O-OE1 2.81Å; Q373-R376 PolarHBondContact O-N 3Å; Q373-F377 WeakPolarHBondContact O-CB 3.38Å; Q373-F377 PolarHBondContact O-N 2.95Å
374R48.6Very low52.3Low127 Ų127128.4 Ų128.448%0.47956%0.563SS.*Hα-helixtrans-67.1-42.7175.6179178.2175162.8-1.1111.4F377 E378R374-F377 WeakPolarHBondContact O-CB 3.37Å; R374-F377 PolarHBondContact O-N 2.94Å; R374-E378 IonicContact CZ-OE1 2.85Å; R374-E378 IonicContact NE-OE1 3.08Å; R374-E378 PolarHBondContact NE-OE1 2.88Å; R374-E378 IonicContact NH2-OE1 3.19Å; R374-E378 PolarHBondContact NH2-OE1 2.86Å; R374-E378 PolarHBondContact O-N 2.88Å
375K57.1Low54.5Low132 Ų132121.3 Ų121.357%0.57453%0.533SS*.Hα-helixtrans-64.8-42.2176.4-158.6-171.2178.4-159.40110.7F377 E378 E379K375-F377 VanDerWaalsContact C-N 3.34Å; K375-F377 PolarHBondContact O-N 2.82Å; K375-E378 PolarHBondContact O-N 3.03Å; K375-E379 WeakPolarHBondContact CD-OE1 3.3Å; K375-E379 WeakPolarHBondContact CE-OE1 3.33Å; K375-E379 WeakPolarHBondContact CG-OE1 3.34Å; K375-E379 IonicContact NZ-OE1 2.74Å; K375-E379 WeakPolarHBondContact O-CB 3.39Å; K375-E379 WeakPolarHBondContact O-CG 3.44Å; K375-E379 PolarHBondContact O-N 3.37Å
376R58.2Low56.9Low161 Ų161116.2 Ų116.261%0.60851%0.511SS*.Hα-helixtrans-64.1-35172-175.4179-174.6-175.32112.8S372 Q373 E380S372-R376 WeakPolarHBondContact O-CA 3.45Å; S372-R376 WeakPolarHBondContact O-CB 3.39Å; S372-R376 PolarHBondContact O-N 3.45Å; Q373-R376 PolarHBondContact O-N 3Å; R376-E380 WeakPolarHBondContact O-CA 3.35Å; R376-E380 WeakPolarHBondContact O-CB 3.13Å; R376-E380 PolarHBondContact O-N 2.8Å
377F63.4Low58.8Low56 Ų56112.1 Ų112.125%0.24650%0.496CS..Hα-helixtrans-67.6-47173.3171.6-96.6000111.1F64 Q373 R374 K375 E379 E380 L381F64-F377 HydrophobicContact CB-CE2 3.83Å; F64-F377 HydrophobicContact CD1-CE2 4.16Å; F64-F377 AromaticContact CD2-CD2 3.74Å; F64-F377 HydrophobicContact CD2-CD2 3.74Å; F64-F377 AromaticContact CD2-CE2 3.79Å; F64-F377 HydrophobicContact CD2-CE2 3.79Å; F64-F377 AromaticContact CE2-CD2 3.94Å; F64-F377 HydrophobicContact CE2-CD2 3.94Å; F64-F377 HydrophobicContact CE2-CE2 4.39Å; F64-F377 HydrophobicContact CG-CD2 4.05Å; F64-F377 AromaticContact CG-CE2 3.65Å; F64-F377 HydrophobicContact CG-CE2 3.65Å; F64-F377 HydrophobicContact CZ-CD2 4.42Å; Q373-F377 WeakPolarHBondContact O-CB 3.38Å; Q373-F377 PolarHBondContact O-N 2.95Å; R374-F377 WeakPolarHBondContact O-CB 3.37Å; R374-F377 PolarHBondContact O-N 2.94Å; K375-F377 VanDerWaalsContact C-N 3.34Å; K375-F377 PolarHBondContact O-N 2.82Å; F377-E379 VanDerWaalsContact C-N 3.32Å; F377-E379 PolarHBondContact O-N 3.48Å; F377-E380 PolarHBondContact O-N 3.48Å; F377-L381 HydrophobicContact CE1-CD1 4.18Å; F377-L381 HydrophobicContact CZ-CD1 3.86Å; F377-L381 WeakPolarHBondContact O-CA 3.31Å; F377-L381 WeakPolarHBondContact O-CB 3.36Å; F377-L381 PolarHBondContact O-N 2.72Å
378E66.3Low60.7Low83 Ų83103.7 Ų103.739%0.38847%0.47SS..Hα-helixtrans-65.2-37.1176.5-72.7176.3-168.400111.2R374 K375 N382R374-E378 IonicContact CZ-OE1 2.85Å; R374-E378 IonicContact NE-OE1 3.08Å; R374-E378 PolarHBondContact NE-OE1 2.88Å; R374-E378 IonicContact NH2-OE1 3.19Å; R374-E378 PolarHBondContact NH2-OE1 2.86Å; R374-E378 PolarHBondContact O-N 2.88Å; K375-E378 PolarHBondContact O-N 3.03Å; E378-N382 WeakPolarHBondContact O-CB 3.42Å; E378-N382 PolarHBondContact O-N 3.41Å; E378-N382 PolarHBondContact O-ND2 3.32Å
379E72.8Confident62.9Low98 Ų9896.6 Ų96.646%0.45844%0.438SS..Hα-helixtrans-67.5-46173.5-74.7166.1-176.800111.7K375 F377 N382 E383K375-E379 WeakPolarHBondContact CD-OE1 3.3Å; K375-E379 WeakPolarHBondContact CE-OE1 3.33Å; K375-E379 WeakPolarHBondContact CG-OE1 3.34Å; K375-E379 IonicContact NZ-OE1 2.74Å; K375-E379 WeakPolarHBondContact O-CB 3.39Å; K375-E379 WeakPolarHBondContact O-CG 3.44Å; K375-E379 PolarHBondContact O-N 3.37Å; F377-E379 VanDerWaalsContact C-N 3.32Å; F377-E379 PolarHBondContact O-N 3.48Å; E379-N382 PolarHBondContact O-N 3.11Å; E379-E383 VanDerWaalsContact O-CB 3.25Å; E379-E383 WeakPolarHBondContact O-CB 3.28Å; E379-E383 PolarHBondContact O-N 3.21Å
380E69.4Low64.6Low73 Ų7390.1 Ų90.134%0.34142%0.42SS..Hα-helixtrans-68.5-37.8177.2-176.9175176.900111.6R376 F377 E383 R384R376-E380 WeakPolarHBondContact O-CA 3.35Å; R376-E380 WeakPolarHBondContact O-CB 3.13Å; R376-E380 PolarHBondContact O-N 2.8Å; F377-E380 PolarHBondContact O-N 3.48Å; E380-E383 PolarHBondContact O-N 2.89Å; E380-R384 HydrophobicContact CG-CG 4.41Å; E380-R384 VanDerWaalsContact O-CB 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.3Å; E380-R384 WeakPolarHBondContact O-CG 3.45Å; E380-R384 PolarHBondContact O-N 2.86Å; E380-R384 IonicContact OE1-CZ 2.7Å; E380-R384 IonicContact OE1-NE 2.81Å; E380-R384 PolarHBondContact OE1-NE 3.25Å; E380-R384 IonicContact OE1-NH2 3.77Å; E380-R384 PolarHBondContact OE1-NH2 2.9Å
381L71.6Confident65.9Low19 Ų1988.3 Ų88.310%0.09941%0.413CS..Hα-helixtrans-61.9-48.1172.3-178.7117.1000110I60 F377 M385I60-L381 HydrophobicContact CB-CD1 4.06Å; I60-L381 HydrophobicContact CG2-CD1 3.69Å; I60-L381 HydrophobicContact CG2-CG 4.36Å; F377-L381 HydrophobicContact CE1-CD1 4.18Å; F377-L381 HydrophobicContact CZ-CD1 3.86Å; F377-L381 WeakPolarHBondContact O-CA 3.31Å; F377-L381 WeakPolarHBondContact O-CB 3.36Å; F377-L381 PolarHBondContact O-N 2.72Å; L381-M385 WeakPolarHBondContact O-CB 3.09Å; L381-M385 PolarHBondContact O-N 3.19Å
382N77.3Confident67.1Low77 Ų7781.1 Ų81.141%0.41238%0.383SS..Hα-helixtrans-64.3-41.6176.7-76-22000111.5E378 E379 M385 I386E378-N382 WeakPolarHBondContact O-CB 3.42Å; E378-N382 PolarHBondContact O-N 3.41Å; E378-N382 PolarHBondContact O-ND2 3.32Å; E379-N382 PolarHBondContact O-N 3.11Å; N382-M385 PolarHBondContact O-N 2.95Å; N382-I386 WeakPolarHBondContact O-CB 3.28Å; N382-I386 WeakPolarHBondContact O-CD1 3.17Å; N382-I386 WeakPolarHBondContact O-CG1 3.49Å; N382-I386 PolarHBondContact O-N 3.43Å
383E80.7Confident67.6Low101 Ų10183.9 Ų83.947%0.47239%0.393SS..Hα-helixtrans-67.6-44.9179.7-162.3-168.2160.300111.6E379 E380 M385 I386 R387E379-E383 VanDerWaalsContact O-CB 3.25Å; E379-E383 WeakPolarHBondContact O-CB 3.28Å; E379-E383 PolarHBondContact O-N 3.21Å; E380-E383 PolarHBondContact O-N 2.89Å; E383-M385 VanDerWaalsContact C-N 3.35Å; E383-I386 PolarHBondContact O-N 3.47Å; E383-R387 WeakPolarHBondContact O-CB 3.4Å; E383-R387 WeakPolarHBondContact O-CG 3.42Å; E383-R387 PolarHBondContact O-N 3.02Å; E383-R387 IonicContact OE1-CZ 3.91Å; E383-R387 IonicContact OE1-NE 3.5Å; E383-R387 PolarHBondContact OE1-NE 2.89Å; E383-R387 IonicContact OE1-NH2 3.86Å; E383-R387 PolarHBondContact OE1-NH2 3.18Å; E383-R387 IonicContact OE2-NH2 2.67Å; E383-R387 PolarHBondContact OE2-NH2 3.14Å
384R69.9Low68.3Low86 Ų8681.7 Ų81.733%0.32539%0.389SS..Hα-helixtrans-63-41.9173.1-75.3-173.6-168.9-152.94.5111.2I60 E63 E380 R387 T388I60-R384 HydrophobicContact CD1-CB 4.14Å; E63-R384 IonicContact OE1-NH1 3.81Å; E63-R384 IonicContact OE2-NH1 3.67Å; E63-R384 PolarHBondContact OE2-NH1 3.44Å; E380-R384 HydrophobicContact CG-CG 4.41Å; E380-R384 VanDerWaalsContact O-CB 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.3Å; E380-R384 WeakPolarHBondContact O-CG 3.45Å; E380-R384 PolarHBondContact O-N 2.86Å; E380-R384 IonicContact OE1-CZ 2.7Å; E380-R384 IonicContact OE1-NE 2.81Å; E380-R384 PolarHBondContact OE1-NE 3.25Å; E380-R384 IonicContact OE1-NH2 3.77Å; E380-R384 PolarHBondContact OE1-NH2 2.9Å; R384-R387 PolarHBondContact O-N 3.43Å; R384-T388 WeakPolarHBondContact O-CB 3.42Å; R384-T388 PolarHBondContact O-N 3.28Å; R384-T388 PolarHBondContact O-OG1 3.44Å
385M75.7Confident68.2Low40 Ų4083.8 Ų83.820%0.19740%0.404CS..Hα-helixtrans-60.8-46.2176.3-173.2179.37600110.9I56 L381 N382 E383 T388 I389I56-M385 HydrophobicContact CG2-CB 4.27Å; I56-M385 HydrophobicContact CG2-CG 3.93Å; L381-M385 WeakPolarHBondContact O-CB 3.09Å; L381-M385 PolarHBondContact O-N 3.19Å; N382-M385 PolarHBondContact O-N 2.95Å; E383-M385 VanDerWaalsContact C-N 3.35Å; M385-T388 PolarHBondContact O-N 3.47Å; M385-I389 HydrophobicContact CG-CD1 3.83Å; M385-I389 WeakPolarHBondContact O-CB 3.46Å; M385-I389 WeakPolarHBondContact O-CD1 3.45Å; M385-I389 WeakPolarHBondContact O-CG1 3.28Å; M385-I389 PolarHBondContact O-N 3.25Å
386I78.3Confident67.8Low90 Ų9086 Ų8646%0.46241%0.414SS..Hα-helixtrans-61.5-47.8175.8-69.3162.9000110.4N382 E383 T388 I389 D390N382-I386 WeakPolarHBondContact O-CB 3.28Å; N382-I386 WeakPolarHBondContact O-CD1 3.17Å; N382-I386 WeakPolarHBondContact O-CG1 3.49Å; N382-I386 PolarHBondContact O-N 3.43Å; E383-I386 PolarHBondContact O-N 3.47Å; I386-T388 VanDerWaalsContact C-N 3.33Å; I386-T388 PolarHBondContact O-N 3.34Å; I386-I389 PolarHBondContact O-N 2.9Å; I386-D390 WeakPolarHBondContact O-CB 3.17Å; I386-D390 PolarHBondContact O-N 2.93Å
387R76.5Confident67.4Low139 Ų13982.5 Ų82.553%0.52540%0.404SS..Hα-helixtrans-60.2-39.9177.5-73.3-170.8-128.7146.1-3.4112.8E383 R384 G391E383-R387 WeakPolarHBondContact O-CB 3.4Å; E383-R387 WeakPolarHBondContact O-CG 3.42Å; E383-R387 PolarHBondContact O-N 3.02Å; E383-R387 IonicContact OE1-CZ 3.91Å; E383-R387 IonicContact OE1-NE 3.5Å; E383-R387 PolarHBondContact OE1-NE 2.89Å; E383-R387 IonicContact OE1-NH2 3.86Å; E383-R387 PolarHBondContact OE1-NH2 3.18Å; E383-R387 IonicContact OE2-NH2 2.67Å; E383-R387 PolarHBondContact OE2-NH2 3.14Å; R384-R387 PolarHBondContact O-N 3.43Å; R387-G391 PolarHBondContact O-N 3.08Å
388T69.5Low66.7Low52 Ų5287.5 Ų87.532%0.31942%0.422SS..Hα-helixtrans-67.3-43.7176.7-59.20000110.9I56 R384 M385 I386 G391 I392 F672I56-T388 HydrophobicContact CD1-CG2 4.06Å; I56-T388 HydrophobicContact CG1-CG2 4.29Å; R384-T388 WeakPolarHBondContact O-CB 3.42Å; R384-T388 PolarHBondContact O-N 3.28Å; R384-T388 PolarHBondContact O-OG1 3.44Å; M385-T388 PolarHBondContact O-N 3.47Å; I386-T388 VanDerWaalsContact C-N 3.33Å; I386-T388 PolarHBondContact O-N 3.34Å; T388-G391 PolarHBondContact O-N 3.11Å; T388-I392 HydrophobicContact CG2-CD1 4.1Å; T388-I392 VanDerWaalsContact O-CG1 3.24Å; T388-I392 WeakPolarHBondContact O-CG1 3.49Å; T388-I392 PolarHBondContact O-N 3.39Å; T388-F672 HydrophobicContact CG2-CZ 4.23Å
389I72.6Confident65.8Low38 Ų3890.3 Ų90.320%0.19544%0.439CS..Hα-helixtrans-63.2-44176.2-68.7167000110.9I56 M385 I386 G391 I392 N393I56-I389 HydrophobicContact CD1-CG1 4Å; M385-I389 HydrophobicContact CG-CD1 3.83Å; M385-I389 WeakPolarHBondContact O-CB 3.46Å; M385-I389 WeakPolarHBondContact O-CD1 3.45Å; M385-I389 WeakPolarHBondContact O-CG1 3.28Å; M385-I389 PolarHBondContact O-N 3.25Å; I386-I389 PolarHBondContact O-N 2.9Å; I389-G391 VanDerWaalsContact C-N 3.32Å; I389-G391 PolarHBondContact O-N 2.99Å; I389-I392 PolarHBondContact O-N 3.13Å; I389-N393 WeakPolarHBondContact O-CB 3.42Å; I389-N393 PolarHBondContact O-N 3.28Å
390D72.8Confident64.6Low97 Ų9794 Ų9452%0.51945%0.453SS..Hα-helixtrans-65.6-35.7176.2-74.9-17.3000111.8I386 N393 S394I386-D390 WeakPolarHBondContact O-CB 3.17Å; I386-D390 PolarHBondContact O-N 2.93Å; D390-N393 CarbonylContact O-C 3.54Å; D390-N393 PolarHBondContact O-N 3.37Å; D390-S394 WeakPolarHBondContact O-CB 3.42Å; D390-S394 PolarHBondContact O-N 2.99Å
391G67.6Low63.9Low31 Ų3192.5 Ų92.532%0.3245%0.451SS..Hα-helixtrans-61.3-47.4172.100000112.2R387 T388 I389 N393 S394R387-G391 PolarHBondContact O-N 3.08Å; T388-G391 PolarHBondContact O-N 3.11Å; I389-G391 VanDerWaalsContact C-N 3.32Å; I389-G391 PolarHBondContact O-N 2.99Å; G391-N393 VanDerWaalsContact C-N 3.35Å; G391-S394 WeakPolarHBondContact O-CB 3.45Å; G391-S394 PolarHBondContact O-N 2.94Å; G391-S394 PolarHBondContact O-OG 2.95Å
392I65.6Low63.4Low44 Ų4499.6 Ų99.623%0.22648%0.484CS..Hα-helixtrans-62.8-40.7175.9-65.8162.9000111.1I56 T388 I389 S394 W668 F672I56-I392 HydrophobicContact CD1-CD1 4.4Å; T388-I392 HydrophobicContact CG2-CD1 4.1Å; T388-I392 VanDerWaalsContact O-CG1 3.24Å; T388-I392 WeakPolarHBondContact O-CG1 3.49Å; T388-I392 PolarHBondContact O-N 3.39Å; I389-I392 PolarHBondContact O-N 3.13Å; I392-S394 VanDerWaalsContact C-N 3.32Å; I392-W668 HydrophobicContact CB-CZ2 4.48Å; I392-W668 HydrophobicContact CG1-CH2 3.89Å; I392-W668 HydrophobicContact CG1-CZ2 3.88Å; I392-W668 HydrophobicContact CG1-CZ3 4.23Å; I392-W668 HydrophobicContact CG2-CZ2 4.37Å; I392-F672 HydrophobicContact CD1-CE2 4.44Å; I392-F672 HydrophobicContact CD1-CZ 4.22Å
393N62.3Low62.8Low117 Ų117100.1 Ų100.163%0.62649%0.486SS*.Hα-helixtrans-78.5-13.1179.2-80-24.5000113.7I389 D390 G391 Q395I389-N393 WeakPolarHBondContact O-CB 3.42Å; I389-N393 PolarHBondContact O-N 3.28Å; D390-N393 CarbonylContact O-C 3.54Å; D390-N393 PolarHBondContact O-N 3.37Å; G391-N393 VanDerWaalsContact C-N 3.35Å; N393-Q395 PolarHBondContact O-N 3.42Å
394S57.5Low62.6Low54 Ų5495.7 Ų95.738%0.37847%0.466SS..  trans-64113.7-179.876.60000109.6D390 G391 I392 K396 Q397D390-S394 WeakPolarHBondContact O-CB 3.42Å; D390-S394 PolarHBondContact O-N 2.99Å; G391-S394 WeakPolarHBondContact O-CB 3.45Å; G391-S394 PolarHBondContact O-N 2.94Å; G391-S394 PolarHBondContact O-OG 2.95Å; I392-S394 VanDerWaalsContact C-N 3.32Å; S394-K396 PolarHBondContact O-N 2.91Å; S394-Q397 PolarHBondContact O-N 3.47Å
395Q47.4Very low63Low171 Ų17195.2 Ų95.280%0.79947%0.467SS*.THydrogen-bonded Turntrans-53-8.8-177.4-156163-25.300114.3N393 W398N393-Q395 PolarHBondContact O-N 3.42Å; Q395-W398 WeakPolarHBondContact O-CB 3.44Å
396K48.5Very low62.8Low179 Ų179103.1 Ų103.178%0.77850%0.495SS*.THydrogen-bonded Turntrans-75.7-24.9175.7-77.4179.7175.9176.20114.5S394 W398S394-K396 PolarHBondContact O-N 2.91Å; K396-W398 VanDerWaalsContact C-N 3.28Å
397Q50.3Low62.5Low88 Ų88105.7 Ų105.741%0.41151%0.508SS..G310 helixtrans-75.7-22.3177.5-156.2162.2-700112.1S394 L399 K400 S401 W668S394-Q397 PolarHBondContact O-N 3.47Å; Q397-L399 VanDerWaalsContact C-N 3.31Å; Q397-L399 PolarHBondContact O-N 2.7Å; Q397-K400 PolarHBondContact O-N 3.33Å; Q397-K400 VanDerWaalsContact O-N 3.17Å; Q397-S401 PolarHBondContact O-N 2.87Å; Q397-W668 VanDerWaalsContact NE2-CZ2 3.33Å
398W47.1Very low62.4Low160 Ų160100.4 Ų100.461%0.60649%0.492SS*.G310 helixtrans-61.7-29.9177.9-130.779.2000114.2Q395 K396 Y660Q395-W398 WeakPolarHBondContact O-CB 3.44Å; K396-W398 VanDerWaalsContact C-N 3.28Å; W398-Y660 AromaticContact CE2-CE1 3.99Å; W398-Y660 HydrophobicContact CZ2-CE1 4.1Å; W398-Y660 AromaticContact NE1-CE1 3.67Å; W398-Y660 AromaticContact NE1-CZ 3.97Å
399L47.4Very low62.9Low143 Ų14398.3 Ų98.375%0.74948%0.479SS*.G310 helixtrans-91.8-11.1177.4-92.9102.7000114Q397Q397-L399 VanDerWaalsContact C-N 3.31Å; Q397-L399 PolarHBondContact O-N 2.7Å
400K49.6Very low63.3Low174 Ų17498.9 Ų98.976%0.75748%0.48SS*.THydrogen-bonded Turntrans-120.36.8-165.6-106.7-171.2178.5-169.80115Q397 E402Q397-K400 PolarHBondContact O-N 3.33Å; Q397-K400 VanDerWaalsContact O-N 3.17Å; K400-E402 PolarHBondContact O-N 3.33Å
401S54.1Low63.8Low42 Ų4294.7 Ų94.729%0.29446%0.457SS..  trans-69.295.4178.968.10000110.7Q397 D403Q397-S401 PolarHBondContact O-N 2.87Å; S401-D403 PolarHBondContact O-N 3.32Å
402E61.1Low64.4Low169 Ų16998.8 Ų98.879%0.7947%0.468SS*.THydrogen-bonded Turntrans-67.3-11.2172.4-70.1176.8172.600112.3K400 H412K400-E402 PolarHBondContact O-N 3.33Å; E402-H412 PolarHBondContact O-CD2 3.16Å
403D64.9Low65.2Low88 Ų88100.3 Ų100.347%0.47148%0.477SS..THydrogen-bonded Turntrans-86.6-19.9-173-59.7-50000114.8S401 F411 H412 L667S401-D403 PolarHBondContact O-N 3.32Å; D403-F411 WeakPolarHBondContact O-CA 3.39Å; D403-H412 PolarHBondContact O-N 3.3Å; D403-L667 HydrophobicContact CB-CD2 4.1Å
404I75.4Confident66.2Low8 Ų8103.5 Ų103.54%0.04149%0.485CS..BIsolated β-bridgetrans-124129.7-174.5-58.6175.1000110.7R406 L409 F411 R663I404-R406 PolarHBondContact O-N 3.18Å; I404-L409 HydrophobicContact CG2-CD2 4.19Å; I404-L409 WeakPolarHBondContact CG2-O 3.42Å; I404-F411 HydrophobicContact CD1-CE1 4.08Å; I404-F411 HydrophobicContact CG1-CD1 3.89Å; I404-F411 HydrophobicContact CG1-CE1 3.91Å; I404-R663 HydrophobicContact CD1-CB 4.37Å
405Q78.3Confident67.5Low75 Ų75104 Ų10435%0.3549%0.492SS..  trans-67.3129.4175-66.7-178.1-10.600111.6I407 L409 F410Q405-I407 VanDerWaalsContact C-N 3.32Å; Q405-I407 PolarHBondContact O-N 3.32Å; Q405-L409 WeakPolarHBondContact O-CA 3.26Å; Q405-L409 PolarHBondContact O-N 2.98Å; Q405-F410 PolarHBondContact N-O 3.04Å
406R72.6Confident69.2Low207 Ų20796.5 Ų96.578%0.78146%0.458SS*.THydrogen-bonded Turntrans-63.5-32.9-174.6-65-175.9-164.8-176.13.9114.9I404 R656I404-R406 PolarHBondContact O-N 3.18Å; R406-R656 PolarHBondContact O-NH2 2.94Å
407I71Confident70.9Confident144 Ų14488.7 Ų88.774%0.73842%0.424SS*.THydrogen-bonded Turntrans-91.4-58.2-173.8-60.9174.1000109.7Q405Q405-I407 VanDerWaalsContact C-N 3.32Å; Q405-I407 PolarHBondContact O-N 3.32Å
408S73.8Confident72.5Confident28 Ų2892.4 Ų92.420%0.19644%0.439CS..THydrogen-bonded Turntrans-87.8-8.5-173.7-156.10000114.6F410 E589S408-F410 PolarHBondContact O-N 2.91Å; S408-F410 WeakPolarHBondContact OG-CD2 3.49Å; S408-F410 WeakPolarHBondContact OG-CE2 3.26Å; S408-E589 VanDerWaalsContact CA-OE1 3.3Å; S408-E589 WeakPolarHBondContact CA-OE1 3.47Å; S408-E589 WeakPolarHBondContact CB-OE1 3.33Å; S408-E589 PolarHBondContact OG-OE1 3.03Å
409L80.3Confident74.2Confident7 Ų788.5 Ų88.54%0.03743%0.427CS..  trans60.54.9-176.8-63.4167.7000114.8I404 Q405 R656 E659 Y660 R663I404-L409 HydrophobicContact CG2-CD2 4.19Å; I404-L409 WeakPolarHBondContact CG2-O 3.42Å; Q405-L409 WeakPolarHBondContact O-CA 3.26Å; Q405-L409 PolarHBondContact O-N 2.98Å; L409-R656 HydrophobicContact CD1-CG 3.98Å; L409-E659 HydrophobicContact CD1-CB 4.26Å; L409-E659 HydrophobicContact CD1-CG 4.11Å; L409-Y660 HydrophobicContact CD2-CD2 3.98Å; L409-R663 WeakPolarHBondContact O-CD 3.46Å; L409-R663 PolarHBondContact O-NE 3.46Å; L409-R663 VanDerWaalsContact O-NE 3.11Å; L409-R663 PolarHBondContact O-NH1 3.49Å
410F82.3Confident76Confident51 Ų5182.6 Ų82.622%0.22440%0.395CS..  trans-63.8146.8173.9-74.3-58.9000112.3Q405 S408 E417 E589Q405-F410 PolarHBondContact N-O 3.04Å; S408-F410 PolarHBondContact O-N 2.91Å; S408-F410 WeakPolarHBondContact OG-CD2 3.49Å; S408-F410 WeakPolarHBondContact OG-CE2 3.26Å; F410-E417 VanDerWaalsContact CD1-CD 3.45Å; F410-E417 HydrophobicContact CD1-CG 4.25Å; F410-E417 VanDerWaalsContact CD1-OE1 3.25Å; F410-E417 WeakPolarHBondContact CD1-OE1 3.41Å; F410-E417 VanDerWaalsContact CE1-OE1 3.28Å; F410-E417 WeakPolarHBondContact CE1-OE1 3.25Å; F410-E589 HydrophobicContact CE2-CG 4.45Å
411F83.1Confident77.4Confident8 Ų879.1 Ų79.14%0.03538%0.377CS..BIsolated β-bridgetrans-69140.4168.1-64-67000109.7D403 I404 N413 L416 E417 Y420 R663 F666 L667D403-F411 WeakPolarHBondContact O-CA 3.39Å; I404-F411 HydrophobicContact CD1-CE1 4.08Å; I404-F411 HydrophobicContact CG1-CD1 3.89Å; I404-F411 HydrophobicContact CG1-CE1 3.91Å; F411-N413 PolarHBondContact O-N 3.18Å; F411-L416 HydrophobicContact CB-CB 4.31Å; F411-L416 HydrophobicContact CD2-CB 4.36Å; F411-L416 HydrophobicContact CG-CB 4.31Å; F411-E417 WeakPolarHBondContact CD2-OE2 3.45Å; F411-Y420 HydrophobicContact CE2-CD1 4.33Å; F411-Y420 HydrophobicContact CE2-CD2 4.36Å; F411-Y420 AromaticContact CE2-CG 3.95Å; F411-Y420 HydrophobicContact CE2-CG 3.95Å; F411-R663 HydrophobicContact CE1-CB 4.19Å; F411-R663 HydrophobicContact CE2-CB 4.4Å; F411-R663 HydrophobicContact CE2-CG 4.16Å; F411-R663 HydrophobicContact CZ-CB 3.67Å; F411-R663 HydrophobicContact CZ-CG 3.94Å; F411-R663 WeakPolarHBondContact CZ-O 3.33Å; F411-F666 HydrophobicContact CE2-CD1 4.06Å; F411-F666 AromaticContact CZ-CD1 3.98Å; F411-F666 HydrophobicContact CZ-CD1 3.98Å; F411-L667 HydrophobicContact CE1-CB 4.2Å; F411-L667 HydrophobicContact CE1-CD1 4.39Å
412H80.4Confident78.5Confident118 Ų11880.2 Ų80.255%0.54639%0.385SS..SBendtrans-62.3-32.5173.3-85.2-77000112E402 D403E402-H412 PolarHBondContact O-CD2 3.16Å; D403-H412 PolarHBondContact O-N 3.3Å
413N82Confident79.2Confident75 Ų7573.3 Ų73.340%0.40135%0.354SS..SBendtrans-86.2117.3175.9-172.5-16.5000111.8F411 A415 L416 E417F411-N413 PolarHBondContact O-N 3.18Å; N413-A415 VanDerWaalsContact C-N 3.27Å; N413-A415 PolarHBondContact O-N 3.31Å; N413-A415 WeakPolarHBondContact OD1-CB 3.44Å; N413-A415 PolarHBondContact OD1-N 3.45Å; N413-L416 HydrophobicContact CB-CB 4.3Å; N413-L416 HydrophobicContact CB-CD1 4Å; N413-L416 HydrophobicContact CB-CG 4.13Å; N413-L416 PolarHBondContact O-N 3.33Å; N413-E417 PolarHBondContact O-N 3Å
414K83.5Confident79.5Confident185 Ų18572.5 Ų72.580%0.80435%0.352SS*.Hα-helixtrans-63.9-26.9179.4-64.9-175.9-179.2177.60113.8K418K414-K418 PolarHBondContact O-N 2.88Å; K414-K418 VanDerWaalsContact O-N 3.15Å
415A84.1Confident79.4Confident63 Ų6372.5 Ų72.552%0.52135%0.352SS..Hα-helixtrans-70.1-45.817800000111.4N413 E417 K418 E419N413-A415 VanDerWaalsContact C-N 3.27Å; N413-A415 PolarHBondContact O-N 3.31Å; N413-A415 WeakPolarHBondContact OD1-CB 3.44Å; N413-A415 PolarHBondContact OD1-N 3.45Å; A415-E417 VanDerWaalsContact C-N 3.28Å; A415-E417 PolarHBondContact O-N 2.81Å; A415-K418 WeakPolarHBondContact O-CB 3.44Å; A415-K418 PolarHBondContact O-N 3.28Å; A415-K418 VanDerWaalsContact O-N 3.14Å; A415-E419 PolarHBondContact O-N 2.87Å
416L83Confident78.9Confident15 Ų1573 Ų738%0.07936%0.362CS..Hα-helixtrans-58.8-40.8174.2-72.7179.8000111.7F411 N413 K418 E419 Y420 F666 L667 D670 R674F411-L416 HydrophobicContact CB-CB 4.31Å; F411-L416 HydrophobicContact CD2-CB 4.36Å; F411-L416 HydrophobicContact CG-CB 4.31Å; N413-L416 HydrophobicContact CB-CB 4.3Å; N413-L416 HydrophobicContact CB-CD1 4Å; N413-L416 HydrophobicContact CB-CG 4.13Å; N413-L416 PolarHBondContact O-N 3.33Å; L416-K418 VanDerWaalsContact C-N 3.34Å; L416-K418 PolarHBondContact O-N 2.76Å; L416-E419 PolarHBondContact O-N 3.25Å; L416-Y420 WeakPolarHBondContact O-CB 3.5Å; L416-Y420 PolarHBondContact O-N 3.22Å; L416-F666 HydrophobicContact CD2-CE1 4.31Å; L416-L667 HydrophobicContact CD1-CD1 4.22Å; L416-D670 VanDerWaalsContact CD2-OD2 3.25Å; L416-D670 WeakPolarHBondContact CD2-OD2 3.26Å; L416-R674 VanDerWaalsContact CD2-NH2 3.3Å
417E84.9Confident79.1Confident15 Ų1564.5 Ų64.57%0.0734%0.336CS..Hα-helixtrans-63.1-40177-176.263.1-158.700112.3F410 F411 N413 A415 R421 R663F410-E417 VanDerWaalsContact CD1-CD 3.45Å; F410-E417 HydrophobicContact CD1-CG 4.25Å; F410-E417 VanDerWaalsContact CD1-OE1 3.25Å; F410-E417 WeakPolarHBondContact CD1-OE1 3.41Å; F410-E417 VanDerWaalsContact CE1-OE1 3.28Å; F410-E417 WeakPolarHBondContact CE1-OE1 3.25Å; F411-E417 WeakPolarHBondContact CD2-OE2 3.45Å; N413-E417 PolarHBondContact O-N 3Å; A415-E417 VanDerWaalsContact C-N 3.28Å; A415-E417 PolarHBondContact O-N 2.81Å; E417-R421 VanDerWaalsContact O-CG 3.25Å; E417-R421 WeakPolarHBondContact O-CG 3.49Å; E417-R421 PolarHBondContact O-N 3.48Å; E417-R421 VanDerWaalsContact O-N 3.14Å; E417-R421 IonicContact OE1-CZ 2.74Å; E417-R421 IonicContact OE1-NE 2.73Å; E417-R421 PolarHBondContact OE1-NE 3.37Å; E417-R421 IonicContact OE1-NH2 3.86Å; E417-R421 PolarHBondContact OE1-NH2 3.07Å; E417-R663 IonicContact OE1-NH1 2.65Å; E417-R663 IonicContact OE1-NH2 3.89Å; E417-R663 PolarHBondContact OE1-NH2 3.19Å; E417-R663 VanDerWaalsContact OE1-NH2 3.15Å; E417-R663 IonicContact OE2-CZ 3.34Å; E417-R663 IonicContact OE2-NH1 3.22Å; E417-R663 PolarHBondContact OE2-NH1 3.49Å; E417-R663 IonicContact OE2-NH2 2.96Å; E417-R663 PolarHBondContact OE2-NH2 3.17Å
418K83.1Confident79.6Confident166 Ų16658 Ų5872%0.72230%0.302SS*.Hα-helixtrans-64.3-43.3176.1-172.9-179.3177.7-175.50111K414 A415 L416 R421 S422K414-K418 PolarHBondContact O-N 2.88Å; K414-K418 VanDerWaalsContact O-N 3.15Å; A415-K418 WeakPolarHBondContact O-CB 3.44Å; A415-K418 PolarHBondContact O-N 3.28Å; A415-K418 VanDerWaalsContact O-N 3.14Å; L416-K418 VanDerWaalsContact C-N 3.34Å; L416-K418 PolarHBondContact O-N 2.76Å; K418-R421 PolarHBondContact O-N 3.18Å; K418-S422 PolarHBondContact O-N 3.05Å; K418-S422 VanDerWaalsContact O-N 3.11Å; K418-S422 PolarHBondContact O-OG 2.86Å
419E84.3Confident80.1Confident77 Ų7758.2 Ų58.236%0.3630%0.3SS..Hα-helixtrans-69-43.2-179.1-168.217517800112.4A415 L416 R421 S422 T423 F666A415-E419 PolarHBondContact O-N 2.87Å; L416-E419 PolarHBondContact O-N 3.25Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3.48Å; E419-S422 WeakPolarHBondContact CA-OG 3.45Å; E419-S422 PolarHBondContact O-N 3.01Å; E419-S422 VanDerWaalsContact O-N 3.1Å; E419-S422 PolarHBondContact O-OG 2.83Å; E419-T423 PolarHBondContact O-N 3.18Å; E419-T423 PolarHBondContact O-OG1 3.17Å; E419-F666 HydrophobicContact CB-CZ 3.87Å; E419-F666 HydrophobicContact CG-CE2 4.28Å; E419-F666 HydrophobicContact CG-CZ 3.8Å
420Y83.7Confident80.3Confident19 Ų1962.5 Ų62.58%0.07532%0.316CS..Hα-helixtrans-54.3-47.1172.4175.2-110.7000111.1F411 L416 S422 T423 E659 C662 R663 F666F411-Y420 HydrophobicContact CE2-CD1 4.33Å; F411-Y420 HydrophobicContact CE2-CD2 4.36Å; F411-Y420 AromaticContact CE2-CG 3.95Å; F411-Y420 HydrophobicContact CE2-CG 3.95Å; L416-Y420 WeakPolarHBondContact O-CB 3.5Å; L416-Y420 PolarHBondContact O-N 3.22Å; Y420-S422 VanDerWaalsContact C-N 3.31Å; Y420-S422 PolarHBondContact O-N 3.27Å; Y420-T423 VanDerWaalsContact O-CB 3.27Å; Y420-T423 WeakPolarHBondContact O-CB 3.32Å; Y420-T423 PolarHBondContact O-N 2.99Å; Y420-T423 VanDerWaalsContact O-N 3.11Å; Y420-T423 PolarHBondContact O-OG1 3.43Å; Y420-E659 PolarHBondContact OH-OE1 3.3Å; Y420-E659 PolarHBondContact OH-OE2 3.35Å; Y420-C662 WeakPolarHBondContact OH-CB 3.41Å; Y420-R663 HydrophobicContact CE1-CG 4.08Å; Y420-R663 HydrophobicContact CE2-CG 4.19Å; Y420-F666 HydrophobicContact CD2-CB 3.71Å; Y420-F666 HydrophobicContact CD2-CD1 4.03Å; Y420-F666 AromaticContact CD2-CD2 3.99Å; Y420-F666 HydrophobicContact CD2-CD2 3.99Å; Y420-F666 AromaticContact CD2-CG 3.62Å; Y420-F666 HydrophobicContact CD2-CG 3.62Å; Y420-F666 HydrophobicContact CE2-CB 4.15Å; Y420-F666 HydrophobicContact CG-CD1 4.41Å; Y420-F666 HydrophobicContact CG-CG 4.4Å
421R78.7Confident80.6Confident102 Ų10260.5 Ų60.539%0.38531%0.307SS..Hα-helixtrans-64.4-33.3178.8-72.5177.1-172.4-166.47113.2E417 K418 E419 T423 P505E417-R421 VanDerWaalsContact O-CG 3.25Å; E417-R421 WeakPolarHBondContact O-CG 3.49Å; E417-R421 PolarHBondContact O-N 3.48Å; E417-R421 VanDerWaalsContact O-N 3.14Å; E417-R421 IonicContact OE1-CZ 2.74Å; E417-R421 IonicContact OE1-NE 2.73Å; E417-R421 PolarHBondContact OE1-NE 3.37Å; E417-R421 IonicContact OE1-NH2 3.86Å; E417-R421 PolarHBondContact OE1-NH2 3.07Å; K418-R421 PolarHBondContact O-N 3.18Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3.48Å; R421-T423 VanDerWaalsContact C-N 3.25Å; R421-T423 PolarHBondContact O-N 3.48Å; R421-P505 VanDerWaalsContact O-CB 3.27Å; R421-P505 WeakPolarHBondContact O-CB 3.4Å
422S78Confident80.8Confident65 Ų6560.1 Ų60.146%0.45531%0.306SS..Hα-helixtrans-78.4-2.8176.3580000114.6K418 E419 Y420 T424K418-S422 PolarHBondContact O-N 3.05Å; K418-S422 VanDerWaalsContact O-N 3.11Å; K418-S422 PolarHBondContact O-OG 2.86Å; E419-S422 WeakPolarHBondContact CA-OG 3.45Å; E419-S422 PolarHBondContact O-N 3.01Å; E419-S422 VanDerWaalsContact O-N 3.1Å; E419-S422 PolarHBondContact O-OG 2.83Å; Y420-S422 VanDerWaalsContact C-N 3.31Å; Y420-S422 PolarHBondContact O-N 3.27Å; S422-T424 PolarHBondContact O-N 2.84Å
423T75.8Confident81.2Confident23 Ų2356.3 Ų56.314%0.14129%0.29CS..  trans-65.2130.1-178.7-61.50000111.5E419 Y420 R421 R508E419-T423 PolarHBondContact O-N 3.18Å; E419-T423 PolarHBondContact O-OG1 3.17Å; Y420-T423 VanDerWaalsContact O-CB 3.27Å; Y420-T423 WeakPolarHBondContact O-CB 3.32Å; Y420-T423 PolarHBondContact O-N 2.99Å; Y420-T423 VanDerWaalsContact O-N 3.11Å; Y420-T423 PolarHBondContact O-OG1 3.43Å; R421-T423 VanDerWaalsContact C-N 3.25Å; R421-T423 PolarHBondContact O-N 3.48Å; T423-R508 PolarHBondContact O-NH1 2.87Å; T423-R508 VanDerWaalsContact O-NH1 3.1Å
424T72.1Confident81.6Confident72 Ų7252.9 Ų52.944%0.44227%0.273SS..  trans-69.2145.1179.860.10000111.2S422 N503S422-T424 PolarHBondContact O-N 2.84Å; T424-N503 VanDerWaalsContact CG2-OD1 3.23Å; T424-N503 WeakPolarHBondContact CG2-OD1 3.5Å
425L72.6Confident81.9Confident7 Ų744.1 Ų44.14%0.03723%0.234CC..  trans-128.385.2-175.7-165.261.6000111.4A427 F428 Y431 R508 R585L425-A427 PolarHBondContact O-N 3.21Å; L425-F428 HydrophobicContact CB-CB 4.42Å; L425-F428 HydrophobicContact CD2-CB 4.3Å; L425-F428 HydrophobicContact CD2-CD2 4.36Å; L425-F428 HydrophobicContact CG-CB 4.31Å; L425-F428 VanDerWaalsContact O-CB 3.29Å; L425-F428 WeakPolarHBondContact O-CB 3.42Å; L425-F428 PolarHBondContact O-N 2.96Å; L425-F428 VanDerWaalsContact O-N 3.13Å; L425-Y431 HydrophobicContact CD2-CD2 4.45Å; L425-Y431 HydrophobicContact CD2-CE2 3.87Å; L425-Y431 HydrophobicContact CG-CE2 4.32Å; L425-R508 VanDerWaalsContact CB-NH1 3.31Å; L425-R585 VanDerWaalsContact CD1-CD 3.41Å; L425-R585 HydrophobicContact CD1-CG 4.05Å; L425-R585 HydrophobicContact CD2-CB 3.92Å; L425-R585 HydrophobicContact CD2-CG 4.21Å
426P69Low82.2Confident87 Ų8742 Ų4257%0.56522%0.216SC*.THydrogen-bonded Turntrans-65.2-24.8-177.224.8-33.2000113.1F428P426-F428 VanDerWaalsContact C-N 3.26Å; P426-F428 PolarHBondContact O-N 2.97Å
427A75.4Confident82.6Confident27 Ų2745 Ų4522%0.22323%0.232CC..THydrogen-bonded Turntrans-78.8-2177.700000114.3L425 K429 Y430 Y431L425-A427 PolarHBondContact O-N 3.21Å; A427-K429 VanDerWaalsContact C-N 3.28Å; A427-K429 PolarHBondContact O-N 3.44Å; A427-Y430 HydrophobicContact CB-CD2 4.3Å; A427-Y430 WeakPolarHBondContact O-CB 3.18Å; A427-Y430 PolarHBondContact O-N 3.04Å; A427-Y431 HydrophobicContact CB-CE2 4.3Å
428F81.8Confident82.9Confident7 Ų744.4 Ų44.43%0.03123%0.229CC..Hα-helixtrans-56.1-39.8-173.4-178.4-108.8000114L425 P426 Y430 Y431 V432 V501 R508 L511 T512 F583L425-F428 HydrophobicContact CB-CB 4.42Å; L425-F428 HydrophobicContact CD2-CB 4.3Å; L425-F428 HydrophobicContact CD2-CD2 4.36Å; L425-F428 HydrophobicContact CG-CB 4.31Å; L425-F428 VanDerWaalsContact O-CB 3.29Å; L425-F428 WeakPolarHBondContact O-CB 3.42Å; L425-F428 PolarHBondContact O-N 2.96Å; L425-F428 VanDerWaalsContact O-N 3.13Å; P426-F428 VanDerWaalsContact C-N 3.26Å; P426-F428 PolarHBondContact O-N 2.97Å; F428-Y430 PolarHBondContact O-N 2.89Å; F428-Y431 HydrophobicContact CD2-CD2 4.32Å; F428-Y431 PolarHBondContact O-N 3.2Å; F428-V432 HydrophobicContact CD1-CG2 4.45Å; F428-V432 HydrophobicContact CE1-CG2 3.92Å; F428-V432 HydrophobicContact CE2-CG2 4.47Å; F428-V432 HydrophobicContact CZ-CG2 3.93Å; F428-V432 PolarHBondContact O-N 3.24Å; F428-V501 HydrophobicContact CD1-CG1 4.28Å; F428-V501 HydrophobicContact CE1-CG1 4.3Å; F428-R508 HydrophobicContact CD1-CG 4.27Å; F428-R508 HydrophobicContact CD2-CG 3.56Å; F428-R508 HydrophobicContact CE1-CG 4.1Å; F428-R508 HydrophobicContact CE2-CG 3.37Å; F428-R508 HydrophobicContact CG-CG 4.01Å; F428-R508 HydrophobicContact CZ-CG 3.66Å; F428-L511 HydrophobicContact CZ-CB 4.43Å; F428-T512 VanDerWaalsContact CE2-OG1 3.23Å; F428-T512 WeakPolarHBondContact CE2-OG1 3.41Å; F428-T512 WeakPolarHBondContact CZ-OG1 3.38Å; F428-F583 HydrophobicContact CE2-CD1 4.32Å; F428-F583 HydrophobicContact CE2-CE1 4.38Å
429K83.8Confident83.4Confident34 Ų3436.7 Ų36.715%0.14820%0.195CC..Hα-helixtrans-56.1-35.4177.763.7-169.9177.8-174.20113.3A427 V432 T433 C474 F475 H478A427-K429 VanDerWaalsContact C-N 3.28Å; A427-K429 PolarHBondContact O-N 3.44Å; K429-V432 PolarHBondContact O-N 2.98Å; K429-T433 PolarHBondContact O-N 3.01Å; K429-T433 VanDerWaalsContact O-N 3.09Å; K429-T433 PolarHBondContact O-OG1 2.91Å; K429-C474 HydrophobicContact CB-CB 4.13Å; K429-F475 HydrophobicContact CB-CD2 4.35Å; K429-F475 HydrophobicContact CB-CE2 3.9Å; K429-F475 HydrophobicContact CB-CZ 4.1Å; K429-F475 HydrophobicContact CD-CE1 4.19Å; K429-F475 HydrophobicContact CD-CZ 4.31Å; K429-F475 HydrophobicContact CG-CE2 4.5Å; K429-F475 HydrophobicContact CG-CZ 4.19Å; K429-H478 PolarHBondContact NZ-CD2 3.26Å; K429-H478 PolarHBondContact NZ-NE2 3.18Å
430Y85.8Confident83.7Confident96 Ų9635.3 Ų35.338%0.37619%0.194SC..Hα-helixtrans-71.3-36.3-178.9-65.3-60000112Y36 A427 F428 T433 C434Y36-Y430 WeakPolarHBondContact CE1-O 3.43Å; Y36-Y430 WeakPolarHBondContact OH-CA 3.41Å; Y36-Y430 WeakPolarHBondContact OH-CB 3.21Å; Y36-Y430 PolarHBondContact OH-O 3.31Å; A427-Y430 HydrophobicContact CB-CD2 4.3Å; A427-Y430 WeakPolarHBondContact O-CB 3.18Å; A427-Y430 PolarHBondContact O-N 3.04Å; F428-Y430 PolarHBondContact O-N 2.89Å; Y430-T433 PolarHBondContact O-N 2.88Å; Y430-C434 PolarHBondContact O-N 2.86Å; Y430-C434 VanDerWaalsContact O-N 3.11Å
431Y87Confident84.1Confident10 Ų1035.8 Ų35.84%0.03920%0.199CC..Hα-helixtrans-63.3-43.7174.8-53.8-48.8000111.7L40 L425 A427 F428 T433 C434 A435 V582 F583 L584L40-Y431 HydrophobicContact CB-CE1 4.42Å; L40-Y431 HydrophobicContact CD1-CD1 3.67Å; L40-Y431 HydrophobicContact CD1-CE1 3.59Å; L425-Y431 HydrophobicContact CD2-CD2 4.45Å; L425-Y431 HydrophobicContact CD2-CE2 3.87Å; L425-Y431 HydrophobicContact CG-CE2 4.32Å; A427-Y431 HydrophobicContact CB-CE2 4.3Å; F428-Y431 HydrophobicContact CD2-CD2 4.32Å; F428-Y431 PolarHBondContact O-N 3.2Å; Y431-T433 PolarHBondContact O-N 3.27Å; Y431-C434 PolarHBondContact O-N 3.36Å; Y431-A435 PolarHBondContact O-N 3.43Å; Y431-V582 VanDerWaalsContact CD1-O 3.22Å; Y431-V582 WeakPolarHBondContact CD1-O 3.45Å; Y431-V582 WeakPolarHBondContact O-CG1 3.42Å; Y431-F583 HydrophobicContact CG-CD1 4.47Å; Y431-L584 HydrophobicContact CD1-CD1 4.37Å; Y431-L584 HydrophobicContact CE1-CB 4.2Å; Y431-L584 HydrophobicContact CE1-CD1 3.44Å; Y431-L584 VanDerWaalsContact CE1-CD1 3.44Å; Y431-L584 HydrophobicContact CE1-CG 4.1Å
432V88.2Confident84.6Confident0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-63.3-41.5176.7179.50000111F428 K429 C434 A435 C436 I470 L471 F583F428-V432 HydrophobicContact CD1-CG2 4.45Å; F428-V432 HydrophobicContact CE1-CG2 3.92Å; F428-V432 HydrophobicContact CE2-CG2 4.47Å; F428-V432 HydrophobicContact CZ-CG2 3.93Å; F428-V432 PolarHBondContact O-N 3.24Å; K429-V432 PolarHBondContact O-N 2.98Å; V432-C434 PolarHBondContact O-N 3.09Å; V432-A435 PolarHBondContact O-N 3.37Å; V432-C436 PolarHBondContact O-N 3.35Å; V432-C436 PolarHBondContact O-SG 3.42Å; V432-C436 VanDerWaalsContact O-SG 3.32Å; V432-I470 HydrophobicContact CG1-CG2 4.13Å; V432-L471 HydrophobicContact CG1-CD1 4.11Å; V432-F583 HydrophobicContact CG2-CE1 4.02Å
433T88.6Confident85.2Confident37 Ų3731.2 Ų31.223%0.22717%0.174CC..Hα-helixtrans-58.2-46.1175.7-55.30000112.2K429 Y430 Y431 C436 L437 F475K429-T433 PolarHBondContact O-N 3.01Å; K429-T433 VanDerWaalsContact O-N 3.09Å; K429-T433 PolarHBondContact O-OG1 2.91Å; Y430-T433 PolarHBondContact O-N 2.88Å; Y431-T433 PolarHBondContact O-N 3.27Å; T433-C436 PolarHBondContact O-N 2.98Å; T433-L437 WeakPolarHBondContact O-CG 3.41Å; T433-L437 PolarHBondContact O-N 3.13Å; T433-F475 WeakPolarHBondContact OG1-CE2 3.47Å
434C89.6Confident85.8Confident4 Ų432.9 Ų32.93%0.02718%0.184CC..Hα-helixtrans-66.5-38.7178.9178.30000112.6Y36 Y430 Y431 V432 C436 L437 I438 V582Y36-C434 HydrophobicContact CD1-CB 3.39Å; Y36-C434 HydrophobicContact CE1-CB 3.33Å; Y36-C434 HydrophobicContact CG-CB 4.27Å; Y430-C434 PolarHBondContact O-N 2.86Å; Y430-C434 VanDerWaalsContact O-N 3.11Å; Y431-C434 PolarHBondContact O-N 3.36Å; V432-C434 PolarHBondContact O-N 3.09Å; C434-C436 VanDerWaalsContact C-N 3.33Å; C434-C436 PolarHBondContact O-N 3.39Å; C434-L437 WeakPolarHBondContact O-CB 3.22Å; C434-L437 PolarHBondContact O-N 3.37Å; C434-I438 WeakPolarHBondContact O-CG1 3.39Å; C434-I438 PolarHBondContact O-N 3.08Å; C434-V582 HydrophobicContact CB-CG1 3.75Å
435A90.8Very high86.5Confident0 Ų029.5 Ų29.50%016%0.163CC..Hα-helixtrans-60.2-42.2172.600000111.9Y431 V432 L437 I438 F439 I519 F583Y431-A435 PolarHBondContact O-N 3.43Å; V432-A435 PolarHBondContact O-N 3.37Å; A435-L437 PolarHBondContact O-N 2.93Å; A435-I438 PolarHBondContact O-N 3.08Å; A435-F439 PolarHBondContact O-N 2.71Å; A435-I519 HydrophobicContact CB-CD1 3.82Å; A435-I519 WeakPolarHBondContact O-CD1 3.43Å; A435-F583 HydrophobicContact CB-CE2 4.08Å; A435-F583 HydrophobicContact CB-CZ 3.93Å
436C90.9Very high87.2Confident19 Ų1929.2 Ų29.213%0.12816%0.162CC..Hα-helixtrans-64.5-35.9174.2-670000112.8V432 T433 C434 F439 C440V432-C436 PolarHBondContact O-N 3.35Å; V432-C436 PolarHBondContact O-SG 3.42Å; V432-C436 VanDerWaalsContact O-SG 3.32Å; T433-C436 PolarHBondContact O-N 2.98Å; C434-C436 VanDerWaalsContact C-N 3.33Å; C434-C436 PolarHBondContact O-N 3.39Å; C436-F439 WeakPolarHBondContact O-CB 3.26Å; C436-F439 PolarHBondContact O-N 3.03Å; C436-C440 PolarHBondContact O-N 3.03Å; C436-C440 PolarHBondContact O-SG 3.31Å
437L90.5Very high87.9Confident79 Ų7928.2 Ų28.241%0.41415%0.151SC..Hα-helixtrans-64.1-40.4174.3-70.2175.2000111.8T433 C434 A435 C440 C441T433-L437 WeakPolarHBondContact O-CG 3.41Å; T433-L437 PolarHBondContact O-N 3.13Å; C434-L437 WeakPolarHBondContact O-CB 3.22Å; C434-L437 PolarHBondContact O-N 3.37Å; A435-L437 PolarHBondContact O-N 2.93Å; L437-C440 PolarHBondContact O-N 2.91Å; L437-C441 PolarHBondContact O-N 3.42Å; L437-C441 PolarHBondContact O-SG 3.46Å
438I91.3Very high88.2Confident2 Ų228.7 Ų28.71%0.0115%0.149CC..Hα-helixtrans-63.3-43.8174.6-65.1168.6000110.2A33 C434 A435 C440 C441 I442 L575 V578 V582A33-I438 HydrophobicContact CB-CD1 4.21Å; A33-I438 HydrophobicContact CB-CG1 4.37Å; C434-I438 WeakPolarHBondContact O-CG1 3.39Å; C434-I438 PolarHBondContact O-N 3.08Å; A435-I438 PolarHBondContact O-N 3.08Å; I438-C440 PolarHBondContact O-N 2.84Å; I438-C441 WeakPolarHBondContact O-CB 3.3Å; I438-C441 PolarHBondContact O-N 3.49Å; I438-C441 VanDerWaalsContact O-N 3.16Å; I438-I442 HydrophobicContact CG2-CD1 4.03Å; I438-I442 WeakPolarHBondContact O-CG1 3.48Å; I438-I442 PolarHBondContact O-N 2.82Å; I438-L575 HydrophobicContact CG2-CB 4.31Å; I438-L575 WeakPolarHBondContact CG2-O 3.25Å; I438-V578 HydrophobicContact CD1-CG1 4.37Å; I438-V582 HydrophobicContact CD1-CG2 3.81Å
439F93.5Very high88Confident4 Ų429.5 Ų29.52%0.01816%0.155CC..Hα-helixtrans-57-47.6174.2175-102.2000112.5A435 C436 C441 I442 F443 F460 T463 F464 L467 I519 M522A435-F439 PolarHBondContact O-N 2.71Å; C436-F439 WeakPolarHBondContact O-CB 3.26Å; C436-F439 PolarHBondContact O-N 3.03Å; F439-C441 VanDerWaalsContact C-N 3.27Å; F439-C441 PolarHBondContact O-N 2.9Å; F439-I442 PolarHBondContact O-N 3.17Å; F439-F443 PolarHBondContact O-N 3.03Å; F439-F460 HydrophobicContact CE1-CD1 4.41Å; F439-F460 AromaticContact CE2-CD1 3.82Å; F439-F460 HydrophobicContact CE2-CD1 3.82Å; F439-F460 AromaticContact CE2-CE1 3.81Å; F439-F460 HydrophobicContact CE2-CE1 3.81Å; F439-F460 AromaticContact CZ-CD1 3.55Å; F439-F460 HydrophobicContact CZ-CD1 3.55Å; F439-F460 HydrophobicContact CZ-CE1 4.03Å; F439-T463 HydrophobicContact CE2-CG2 3.72Å; F439-T463 HydrophobicContact CZ-CG2 3.81Å; F439-F464 HydrophobicContact CE1-CB 4.14Å; F439-F464 HydrophobicContact CE1-CD2 4.36Å; F439-L467 HydrophobicContact CB-CD1 3.96Å; F439-L467 HydrophobicContact CD1-CD1 3.57Å; F439-L467 HydrophobicContact CD2-CD1 3.84Å; F439-L467 HydrophobicContact CE1-CD1 3.97Å; F439-L467 HydrophobicContact CE2-CD1 4.23Å; F439-L467 HydrophobicContact CG-CD1 3.48Å; F439-L467 VanDerWaalsContact CG-CD1 3.48Å; F439-L467 HydrophobicContact CZ-CD1 4.28Å; F439-I519 HydrophobicContact CB-CD1 4.4Å; F439-I519 HydrophobicContact CB-CG1 4.12Å; F439-I519 HydrophobicContact CD2-CG1 4.37Å; F439-M522 HydrophobicContact CD2-CB 4.46Å; F439-M522 HydrophobicContact CE2-CB 3.94Å; F439-M522 HydrophobicContact CE2-CG 3.94Å
440C91.5Very high87.5Confident48 Ų4828.5 Ų28.532%0.32415%0.151SC..Hα-helixtrans-60.1-38.6176.6-69.70000111.8C436 L437 I438 F443 V444C436-C440 PolarHBondContact O-N 3.03Å; C436-C440 PolarHBondContact O-SG 3.31Å; L437-C440 PolarHBondContact O-N 2.91Å; I438-C440 PolarHBondContact O-N 2.84Å; C440-F443 WeakPolarHBondContact O-CB 3.33Å; C440-F443 PolarHBondContact O-N 3.36Å; C440-V444 VanDerWaalsContact O-CG2 3.29Å; C440-V444 WeakPolarHBondContact O-CG2 3.37Å; C440-V444 PolarHBondContact O-N 3.45Å
441C90.8Very high86.8Confident28 Ų2826.9 Ų26.919%0.18915%0.153CC..Hα-helixtrans-66.4-42.7176.5-64.80000111.8I25 C29 L437 I438 F439 F443 V444 V445I25-C441 HydrophobicContact CG2-CB 4.3Å; C29-C441 HydrophobicContact CB-CB 3.75Å; C29-C441 VanDerWaalsContact CB-SG 3.6Å; C29-C441 WeakPolarHBondContact SG-CB 3.28Å; C29-C441 PolarHBondContact SG-SG 2.95Å; L437-C441 PolarHBondContact O-N 3.42Å; L437-C441 PolarHBondContact O-SG 3.46Å; I438-C441 WeakPolarHBondContact O-CB 3.3Å; I438-C441 PolarHBondContact O-N 3.49Å; I438-C441 VanDerWaalsContact O-N 3.16Å; F439-C441 VanDerWaalsContact C-N 3.27Å; F439-C441 PolarHBondContact O-N 2.9Å; C441-F443 VanDerWaalsContact C-N 3.33Å; C441-F443 PolarHBondContact O-N 3.4Å; C441-V444 PolarHBondContact O-N 3.3Å; C441-V445 WeakPolarHBondContact O-CB 3.37Å; C441-V445 VanDerWaalsContact O-CG2 3.23Å; C441-V445 WeakPolarHBondContact O-CG2 3.44Å; C441-V445 PolarHBondContact O-N 3.47Å
442I89.6Confident86.2Confident1 Ų134.1 Ų34.11%0.00518%0.184CC..Hα-helixtrans-58.5-46.2174.3-67.7168.2000110.1I438 F439 V444 V445 Q446 I519 C572 L575I438-I442 HydrophobicContact CG2-CD1 4.03Å; I438-I442 WeakPolarHBondContact O-CG1 3.48Å; I438-I442 PolarHBondContact O-N 2.82Å; F439-I442 PolarHBondContact O-N 3.17Å; I442-V444 PolarHBondContact O-N 3.01Å; I442-V445 PolarHBondContact O-N 2.85Å; I442-Q446 HydrophobicContact CG2-CG 4.35Å; I442-Q446 WeakPolarHBondContact O-CB 3.49Å; I442-Q446 VanDerWaalsContact O-CG 3.28Å; I442-Q446 WeakPolarHBondContact O-CG 3.37Å; I442-Q446 PolarHBondContact O-N 2.99Å; I442-I519 HydrophobicContact CD1-CG2 3.93Å; I442-C572 HydrophobicContact CG2-CB 4.4Å; I442-L575 HydrophobicContact CD1-CB 4.14Å; I442-L575 HydrophobicContact CG1-CB 4.04Å; I442-L575 HydrophobicContact CG1-CD1 4.34Å
443F90.5Very high85.7Confident71 Ų7136.4 Ų36.431%0.31120%0.198SC..Hα-helixtrans-58.2-48.9177172.1-114.7000113F439 C440 C441 Q446 I447 F460F439-F443 PolarHBondContact O-N 3.03Å; C440-F443 WeakPolarHBondContact O-CB 3.33Å; C440-F443 PolarHBondContact O-N 3.36Å; C441-F443 VanDerWaalsContact C-N 3.33Å; C441-F443 PolarHBondContact O-N 3.4Å; F443-Q446 PolarHBondContact O-N 3.16Å; F443-I447 HydrophobicContact CD1-CD1 4.4Å; F443-I447 HydrophobicContact CD2-CD1 3.92Å; F443-I447 HydrophobicContact CD2-CG1 4.18Å; F443-I447 HydrophobicContact CE1-CD1 3.74Å; F443-I447 HydrophobicContact CE2-CD1 3.21Å; F443-I447 HydrophobicContact CE2-CG1 3.89Å; F443-I447 HydrophobicContact CZ-CD1 3.11Å; F443-I447 HydrophobicContact CZ-CG1 4.21Å; F443-I447 PolarHBondContact O-N 3.46Å; F443-F460 HydrophobicContact CB-CD1 3.71Å; F443-F460 HydrophobicContact CB-CE1 3.69Å; F443-F460 HydrophobicContact CD2-CB 3.65Å; F443-F460 AromaticContact CD2-CD1 3.27Å; F443-F460 HydrophobicContact CD2-CD1 3.27Å; F443-F460 HydrophobicContact CD2-CD2 4.14Å; F443-F460 AromaticContact CD2-CE1 3.9Å; F443-F460 HydrophobicContact CD2-CE1 3.9Å; F443-F460 AromaticContact CD2-CG 3.41Å; F443-F460 HydrophobicContact CD2-CG 3.41Å; F443-F460 VanDerWaalsContact CD2-CG 3.41Å; F443-F460 HydrophobicContact CE2-CB 3.62Å; F443-F460 HydrophobicContact CE2-CD1 4.15Å; F443-F460 AromaticContact CE2-CG 3.89Å; F443-F460 HydrophobicContact CE2-CG 3.89Å; F443-F460 AromaticContact CG-CD1 3.88Å; F443-F460 HydrophobicContact CG-CD1 3.88Å; F443-F460 HydrophobicContact CG-CE1 4.29Å; F443-F460 HydrophobicContact CG-CG 4.42Å
444V89Confident85.2Confident57 Ų5740.4 Ų40.435%0.34522%0.223SC..Hα-helixtrans-65.8-41.9-178.6-179.70000110.9I25 C440 C441 I442 Q446 I447 L448I25-V444 HydrophobicContact CD1-CB 4.5Å; I25-V444 HydrophobicContact CD1-CG1 3.53Å; C440-V444 VanDerWaalsContact O-CG2 3.29Å; C440-V444 WeakPolarHBondContact O-CG2 3.37Å; C440-V444 PolarHBondContact O-N 3.45Å; C441-V444 PolarHBondContact O-N 3.3Å; I442-V444 PolarHBondContact O-N 3.01Å; V444-Q446 VanDerWaalsContact C-N 3.34Å; V444-Q446 PolarHBondContact O-N 3.29Å; V444-I447 PolarHBondContact O-N 3.1Å; V444-L448 HydrophobicContact CG1-CD1 3.79Å; V444-L448 HydrophobicContact CG1-CG 4.21Å; V444-L448 WeakPolarHBondContact O-CB 3.35Å; V444-L448 VanDerWaalsContact O-CG 3.22Å; V444-L448 WeakPolarHBondContact O-CG 3.32Å; V444-L448 PolarHBondContact O-N 3.16Å
445V87.1Confident84.8Confident1 Ų143.1 Ų43.11%0.00624%0.239CC..Hα-helixtrans-60.7-45.5175.8170.70000110.7I25 I26 C441 I442 L448 V449 Y568I25-V445 HydrophobicContact CB-CG2 4.28Å; I25-V445 HydrophobicContact CG2-CG2 3.84Å; I26-V445 HydrophobicContact CD1-CG1 4.02Å; I26-V445 HydrophobicContact CD1-CG2 4.24Å; I26-V445 HydrophobicContact CG1-CG1 4.32Å; I26-V445 HydrophobicContact CG1-CG2 3.66Å; C441-V445 WeakPolarHBondContact O-CB 3.37Å; C441-V445 VanDerWaalsContact O-CG2 3.23Å; C441-V445 WeakPolarHBondContact O-CG2 3.44Å; C441-V445 PolarHBondContact O-N 3.47Å; I442-V445 PolarHBondContact O-N 2.85Å; V445-L448 PolarHBondContact O-N 3.49Å; V445-V449 WeakPolarHBondContact O-CB 3.5Å; V445-V449 WeakPolarHBondContact O-CG2 3.2Å; V445-V449 PolarHBondContact O-N 3.17Å; V445-Y568 HydrophobicContact CG1-CD1 4.12Å
446Q85.9Confident84.3Confident1 Ų143.5 Ų43.51%0.00524%0.241CC..Hα-helixtrans-64.6-42.9178.6-73.5-168.619.700112I442 F443 V444 L448 L450 M522 A523I442-Q446 HydrophobicContact CG2-CG 4.35Å; I442-Q446 WeakPolarHBondContact O-CB 3.49Å; I442-Q446 VanDerWaalsContact O-CG 3.28Å; I442-Q446 WeakPolarHBondContact O-CG 3.37Å; I442-Q446 PolarHBondContact O-N 2.99Å; F443-Q446 PolarHBondContact O-N 3.16Å; V444-Q446 VanDerWaalsContact C-N 3.34Å; V444-Q446 PolarHBondContact O-N 3.29Å; Q446-L448 PolarHBondContact O-N 3.12Å; Q446-L450 HydrophobicContact CB-CD1 3.69Å; Q446-L450 HydrophobicContact CG-CD1 3.63Å; Q446-L450 WeakPolarHBondContact O-CB 3.35Å; Q446-L450 PolarHBondContact O-N 3.42Å; Q446-M522 PolarHBondContact NE2-O 3.47Å; Q446-A523 PolarHBondContact NE2-O 3Å
447I84.8Confident83.8Confident67 Ų6744.9 Ų44.934%0.34426%0.258SS..Hα-helixtrans-65.8-36.6177.1-78.9-169.9000113.4F443 V444F443-I447 HydrophobicContact CD1-CD1 4.4Å; F443-I447 HydrophobicContact CD2-CD1 3.92Å; F443-I447 HydrophobicContact CD2-CG1 4.18Å; F443-I447 HydrophobicContact CE1-CD1 3.74Å; F443-I447 HydrophobicContact CE2-CD1 3.21Å; F443-I447 HydrophobicContact CE2-CG1 3.89Å; F443-I447 HydrophobicContact CZ-CD1 3.11Å; F443-I447 HydrophobicContact CZ-CG1 4.21Å; F443-I447 PolarHBondContact O-N 3.46Å; V444-I447 PolarHBondContact O-N 3.1Å
448L82.3Confident83.7Confident36 Ų3647.1 Ų47.119%0.18827%0.269CS..Hα-helixtrans-72.6-34.9-176.4-75.6174.8000112.5R18 L21 I25 V444 V445 Q446R18-L448 WeakPolarHBondContact CD-O 3.49Å; L21-L448 HydrophobicContact CB-CD1 4.33Å; L21-L448 HydrophobicContact CD2-CD1 3.73Å; L21-L448 HydrophobicContact CD2-CD2 3.9Å; L21-L448 HydrophobicContact CD2-CG 4.5Å; L21-L448 HydrophobicContact CG-CD1 3.8Å; I25-L448 HydrophobicContact CD1-CD1 3.49Å; I25-L448 VanDerWaalsContact CD1-CD1 3.49Å; V444-L448 HydrophobicContact CG1-CD1 3.79Å; V444-L448 HydrophobicContact CG1-CG 4.21Å; V444-L448 WeakPolarHBondContact O-CB 3.35Å; V444-L448 VanDerWaalsContact O-CG 3.22Å; V444-L448 WeakPolarHBondContact O-CG 3.32Å; V444-L448 PolarHBondContact O-N 3.16Å; V445-L448 PolarHBondContact O-N 3.49Å; Q446-L448 PolarHBondContact O-N 3.12Å
449V77.1Confident83.5Confident24 Ų2447.7 Ų47.715%0.14527%0.274CS..Hα-helixtrans-108.7-29.1-166.4-178.40000112.7A22 V445 Y565 Y568A22-V449 HydrophobicContact CB-CG2 3.33Å; V445-V449 WeakPolarHBondContact O-CB 3.5Å; V445-V449 WeakPolarHBondContact O-CG2 3.2Å; V445-V449 PolarHBondContact O-N 3.17Å; V449-Y565 VanDerWaalsContact CG1-CB 3.41Å; V449-Y565 WeakPolarHBondContact O-CB 3.46Å; V449-Y568 HydrophobicContact CB-CG 4.49Å; V449-Y568 HydrophobicContact CG1-CD2 3.65Å; V449-Y568 HydrophobicContact CG1-CE2 4.09Å; V449-Y568 HydrophobicContact CG1-CG 3.88Å; V449-Y568 HydrophobicContact CG2-CD1 4.17Å; V449-Y568 HydrophobicContact CG2-CE1 4.27Å; V449-Y568 HydrophobicContact CG2-CG 4.33Å
450L72.7Confident83.3Confident14 Ų1447.7 Ų47.77%0.07327%0.273CS..SBendtrans-94.8155.4-172.6-62.5165.2000113.7Q446 K452 N526 Y565 F569Q446-L450 HydrophobicContact CB-CD1 3.69Å; Q446-L450 HydrophobicContact CG-CD1 3.63Å; Q446-L450 WeakPolarHBondContact O-CB 3.35Å; Q446-L450 PolarHBondContact O-N 3.42Å; L450-K452 PolarHBondContact O-N 3.04Å; L450-N526 VanDerWaalsContact CB-ND2 3.32Å; L450-N526 WeakPolarHBondContact CB-ND2 2.83Å; L450-N526 HydrophobicContact CD1-CB 4.17Å; L450-N526 WeakPolarHBondContact CD1-ND2 3.02Å; L450-Y565 HydrophobicContact CD2-CD2 3.47Å; L450-Y565 VanDerWaalsContact CD2-CD2 3.47Å; L450-Y565 HydrophobicContact CD2-CE2 4.19Å; L450-Y565 HydrophobicContact CD2-CG 3.87Å; L450-F569 HydrophobicContact CD1-CD1 4.36Å; L450-F569 HydrophobicContact CD1-CE1 3.55Å; L450-F569 HydrophobicContact CD1-CZ 3.83Å; L450-F569 HydrophobicContact CD2-CD2 4.37Å; L450-F569 HydrophobicContact CD2-CE1 3.75Å; L450-F569 HydrophobicContact CD2-CE2 3.51Å; L450-F569 HydrophobicContact CD2-CZ 3.15Å; L450-F569 HydrophobicContact CG-CE1 4.34Å; L450-F569 HydrophobicContact CG-CZ 4.16Å
451P71.8Confident83.1Confident62 Ų6247 Ų4740%0.40328%0.275SS..  trans-59133.5171.125-33.9000110.4T453P451-T453 PolarHBondContact O-N 2.93Å
452K73.3Confident83.1Confident161 Ų16150.9 Ų50.970%0.729%0.293SS*.  trans-81.3109.3-174.3-62179.7-178.6-176.90109.8L450L450-K452 PolarHBondContact O-N 3.04Å
453T78.4Confident83.2Confident49 Ų4951 Ų5130%0.30129%0.294SS..  trans-104.7147.317063.70000110.3P451 V455 L456P451-T453 PolarHBondContact O-N 2.93Å; T453-V455 VanDerWaalsContact C-N 3.25Å; T453-V455 PolarHBondContact O-N 3.25Å; T453-L456 WeakPolarHBondContact O-CB 2.89Å; T453-L456 PolarHBondContact O-N 3.09Å; T453-L456 VanDerWaalsContact OG1-CB 3.3Å; T453-L456 WeakPolarHBondContact OG1-CB 3.45Å; T453-L456 PolarHBondContact OG1-N 3.43Å
454T78.8Confident83.3Confident121 Ų12153 Ų5374%0.74230%0.302SS*.Hα-helixtrans-64.3-33.7176.648.70000111.6L456 G457 I458T454-L456 VanDerWaalsContact C-N 3.31Å; T454-L456 PolarHBondContact O-N 2.89Å; T454-G457 PolarHBondContact O-N 3.17Å; T454-I458 WeakPolarHBondContact O-CG1 3.08Å; T454-I458 PolarHBondContact O-N 3.5Å
455V81.3Confident83.5Confident60 Ų6055.8 Ų55.836%0.36432%0.315SS..Hα-helixtrans-62.1-36.1175.9-176.70000112.1T453 I458 S459 F525 F529T453-V455 VanDerWaalsContact C-N 3.25Å; T453-V455 PolarHBondContact O-N 3.25Å; V455-I458 PolarHBondContact O-N 3.2Å; V455-S459 WeakPolarHBondContact O-CB 3.32Å; V455-S459 PolarHBondContact O-N 3.28Å; V455-S459 PolarHBondContact O-OG 3.24Å; V455-F525 HydrophobicContact CG1-CE1 4.46Å; V455-F529 HydrophobicContact CG1-CD1 4.41Å; V455-F529 HydrophobicContact CG1-CE1 3.85Å; V455-F529 HydrophobicContact CG1-CE2 4.14Å; V455-F529 HydrophobicContact CG1-CZ 3.71Å
456L78.7Confident83.7Confident9 Ų959.3 Ų59.35%0.04733%0.333CS..Hα-helixtrans-65-44.2176.2-171.669.3000112.2T453 T454 I458 S459 F460 N526T453-L456 WeakPolarHBondContact O-CB 2.89Å; T453-L456 PolarHBondContact O-N 3.09Å; T453-L456 VanDerWaalsContact OG1-CB 3.3Å; T453-L456 WeakPolarHBondContact OG1-CB 3.45Å; T453-L456 PolarHBondContact OG1-N 3.43Å; T454-L456 VanDerWaalsContact C-N 3.31Å; T454-L456 PolarHBondContact O-N 2.89Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 2.9Å; L456-S459 WeakPolarHBondContact CA-OG 3.45Å; L456-S459 PolarHBondContact O-N 3.4Å; L456-S459 PolarHBondContact O-OG 3Å; L456-F460 HydrophobicContact CD1-CD2 3.63Å; L456-F460 HydrophobicContact CD1-CE2 3.47Å; L456-F460 VanDerWaalsContact CD1-CE2 3.47Å; L456-F460 HydrophobicContact CG-CD2 3.97Å; L456-F460 HydrophobicContact CG-CE2 4.19Å; L456-F460 WeakPolarHBondContact O-CD2 3.29Å; L456-F460 PolarHBondContact O-N 3.37Å; L456-F460 VanDerWaalsContact O-N 3.08Å; L456-N526 HydrophobicContact CD1-CB 3.61Å; L456-N526 VanDerWaalsContact CD1-CG 3.47Å; L456-N526 WeakPolarHBondContact CD2-ND2 3.33Å
457G81.9Confident84Confident47 Ų4759.5 Ų59.549%0.48533%0.334SS..Hα-helixtrans-61.6-41.3178.100000112.6T454 G461T454-G457 PolarHBondContact O-N 3.17Å; G457-G461 PolarHBondContact O-N 3.03Å
458I86.8Confident84.2Confident127 Ų12758.2 Ų58.265%0.65133%0.334SS*.Hα-helixtrans-68.4-45.6179.7-63.8168.1000111.2T454 V455 L456 G461 L462T454-I458 WeakPolarHBondContact O-CG1 3.08Å; T454-I458 PolarHBondContact O-N 3.5Å; V455-I458 PolarHBondContact O-N 3.2Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 2.9Å; I458-G461 PolarHBondContact O-N 2.73Å; I458-L462 WeakPolarHBondContact O-CB 3.5Å; I458-L462 PolarHBondContact O-N 2.72Å
459S87.7Confident84.5Confident14 Ų1461 Ų6110%0.09835%0.349CS..Hα-helixtrans-65.9-43.4-178.952.40000113.3V455 L456 T463 F525V455-S459 WeakPolarHBondContact O-CB 3.32Å; V455-S459 PolarHBondContact O-N 3.28Å; V455-S459 PolarHBondContact O-OG 3.24Å; L456-S459 WeakPolarHBondContact CA-OG 3.45Å; L456-S459 PolarHBondContact O-N 3.4Å; L456-S459 PolarHBondContact O-OG 3Å; S459-T463 WeakPolarHBondContact O-CB 3.05Å; S459-T463 PolarHBondContact O-N 3.02Å; S459-T463 PolarHBondContact O-OG1 2.84Å; S459-F525 WeakPolarHBondContact OG-CD1 3.07Å; S459-F525 WeakPolarHBondContact OG-CE1 3.25Å
460F88.6Confident85Confident3 Ų360.6 Ų60.61%0.01335%0.345CS..Hα-helixtrans-67.6-37.8173.4-88.9-86.5000112.3F439 F443 L456 T463 F464 M522F439-F460 HydrophobicContact CE1-CD1 4.41Å; F439-F460 AromaticContact CE2-CD1 3.82Å; F439-F460 HydrophobicContact CE2-CD1 3.82Å; F439-F460 AromaticContact CE2-CE1 3.81Å; F439-F460 HydrophobicContact CE2-CE1 3.81Å; F439-F460 AromaticContact CZ-CD1 3.55Å; F439-F460 HydrophobicContact CZ-CD1 3.55Å; F439-F460 HydrophobicContact CZ-CE1 4.03Å; F443-F460 HydrophobicContact CB-CD1 3.71Å; F443-F460 HydrophobicContact CB-CE1 3.69Å; F443-F460 HydrophobicContact CD2-CB 3.65Å; F443-F460 AromaticContact CD2-CD1 3.27Å; F443-F460 HydrophobicContact CD2-CD1 3.27Å; F443-F460 HydrophobicContact CD2-CD2 4.14Å; F443-F460 AromaticContact CD2-CE1 3.9Å; F443-F460 HydrophobicContact CD2-CE1 3.9Å; F443-F460 AromaticContact CD2-CG 3.41Å; F443-F460 HydrophobicContact CD2-CG 3.41Å; F443-F460 VanDerWaalsContact CD2-CG 3.41Å; F443-F460 HydrophobicContact CE2-CB 3.62Å; F443-F460 HydrophobicContact CE2-CD1 4.15Å; F443-F460 AromaticContact CE2-CG 3.89Å; F443-F460 HydrophobicContact CE2-CG 3.89Å; F443-F460 AromaticContact CG-CD1 3.88Å; F443-F460 HydrophobicContact CG-CD1 3.88Å; F443-F460 HydrophobicContact CG-CE1 4.29Å; F443-F460 HydrophobicContact CG-CG 4.42Å; L456-F460 HydrophobicContact CD1-CD2 3.63Å; L456-F460 HydrophobicContact CD1-CE2 3.47Å; L456-F460 VanDerWaalsContact CD1-CE2 3.47Å; L456-F460 HydrophobicContact CG-CD2 3.97Å; L456-F460 HydrophobicContact CG-CE2 4.19Å; L456-F460 WeakPolarHBondContact O-CD2 3.29Å; L456-F460 PolarHBondContact O-N 3.37Å; L456-F460 VanDerWaalsContact O-N 3.08Å; F460-T463 PolarHBondContact O-N 3.23Å; F460-F464 VanDerWaalsContact O-CB 3.23Å; F460-F464 WeakPolarHBondContact O-CB 3.33Å; F460-F464 PolarHBondContact O-N 2.98Å; F460-M522 HydrophobicContact CD2-SD 4.47Å; F460-M522 HydrophobicContact CE1-CB 4.23Å; F460-M522 HydrophobicContact CE2-SD 4.43Å; F460-M522 HydrophobicContact CZ-CB 4.19Å
461G88.5Confident85.7Confident34 Ų3462.5 Ų62.535%0.35136%0.355SS..Hα-helixtrans-61.3-46.417500000112.6G457 I458 F464 L465G457-G461 PolarHBondContact O-N 3.03Å; I458-G461 PolarHBondContact O-N 2.73Å; G461-F464 PolarHBondContact O-N 3.46Å; G461-L465 WeakPolarHBondContact O-CG 3.08Å; G461-L465 PolarHBondContact O-N 2.91Å
462L91.6Very high86.3Confident110 Ų11063.3 Ų63.358%0.57636%0.356SS*.Hα-helixtrans-62.3-44.6176.4-173.871.3000111.5I458 L465 L466I458-L462 WeakPolarHBondContact O-CB 3.5Å; I458-L462 PolarHBondContact O-N 2.72Å; L462-L465 PolarHBondContact O-N 3.37Å; L462-L466 WeakPolarHBondContact O-CG 3.33Å; L462-L466 PolarHBondContact O-N 2.85Å
463T91.3Very high86.7Confident4 Ų458.3 Ų58.33%0.02534%0.336CS..Hα-helixtrans-68.1-37.1-179.8-530000112.2F439 S459 F460 L466 L467 L518 M522F439-T463 HydrophobicContact CE2-CG2 3.72Å; F439-T463 HydrophobicContact CZ-CG2 3.81Å; S459-T463 WeakPolarHBondContact O-CB 3.05Å; S459-T463 PolarHBondContact O-N 3.02Å; S459-T463 PolarHBondContact O-OG1 2.84Å; F460-T463 PolarHBondContact O-N 3.23Å; T463-L466 PolarHBondContact O-N 3.48Å; T463-L467 HydrophobicContact CG2-CD1 4.15Å; T463-L467 HydrophobicContact CG2-CG 4.37Å; T463-L467 WeakPolarHBondContact O-CB 3.5Å; T463-L467 WeakPolarHBondContact O-CG 3.47Å; T463-L467 PolarHBondContact O-N 2.76Å; T463-L518 HydrophobicContact CG2-CB 3.94Å; T463-L518 HydrophobicContact CG2-CD1 4.39Å; T463-L518 HydrophobicContact CG2-CD2 4.12Å; T463-L518 HydrophobicContact CG2-CG 4.37Å; T463-M522 HydrophobicContact CG2-CG 3.94Å; T463-M522 WeakPolarHBondContact OG1-CE 3.43Å
464F92.4Very high86.8Confident111 Ų11157 Ų5749%0.48733%0.329SS..Hα-helixtrans-61.4-43.8173.2179.2-96.2000111.5F439 F460 G461 L466 L467 A468F439-F464 HydrophobicContact CE1-CB 4.14Å; F439-F464 HydrophobicContact CE1-CD2 4.36Å; F460-F464 VanDerWaalsContact O-CB 3.23Å; F460-F464 WeakPolarHBondContact O-CB 3.33Å; F460-F464 PolarHBondContact O-N 2.98Å; G461-F464 PolarHBondContact O-N 3.46Å; F464-L466 PolarHBondContact O-N 3.42Å; F464-L467 PolarHBondContact O-N 2.75Å; F464-A468 WeakPolarHBondContact O-CB 3.49Å; F464-A468 PolarHBondContact O-N 3.42Å
465L92.4Very high86.8Confident117 Ų11753.7 Ų53.761%0.61330%0.304SS*.Hα-helixtrans-61.8-42175.8-70.7172.6000112G461 L462 A468 L469G461-L465 WeakPolarHBondContact O-CG 3.08Å; G461-L465 PolarHBondContact O-N 2.91Å; L462-L465 PolarHBondContact O-N 3.37Å; L465-A468 PolarHBondContact O-N 2.75Å; L465-L469 WeakPolarHBondContact O-CB 3.4Å; L465-L469 PolarHBondContact O-N 3.34Å
466L92.2Very high86.3Confident75 Ų7551.6 Ų51.639%0.39329%0.293SS..Hα-helixtrans-64.5-45.7176.2-70.2172.2000112.1L462 T463 F464 L469 I470 L518L462-L466 WeakPolarHBondContact O-CG 3.33Å; L462-L466 PolarHBondContact O-N 2.85Å; T463-L466 PolarHBondContact O-N 3.48Å; F464-L466 PolarHBondContact O-N 3.42Å; L466-L469 WeakPolarHBondContact O-CB 3.36Å; L466-L469 PolarHBondContact O-N 3.49Å; L466-I470 WeakPolarHBondContact O-CG1 3.46Å; L466-I470 PolarHBondContact O-N 2.77Å; L466-L518 HydrophobicContact CB-CD1 4.22Å; L466-L518 HydrophobicContact CD1-CD2 4.44Å
467L90.8Very high85.5Confident4 Ų451.8 Ų51.82%0.02130%0.297CS..Hα-helixtrans-66.9-37.2177.2-71.8176.1000112.1F439 T463 F464 I470 L471 T515 L518F439-L467 HydrophobicContact CB-CD1 3.96Å; F439-L467 HydrophobicContact CD1-CD1 3.57Å; F439-L467 HydrophobicContact CD2-CD1 3.84Å; F439-L467 HydrophobicContact CE1-CD1 3.97Å; F439-L467 HydrophobicContact CE2-CD1 4.23Å; F439-L467 HydrophobicContact CG-CD1 3.48Å; F439-L467 VanDerWaalsContact CG-CD1 3.48Å; F439-L467 HydrophobicContact CZ-CD1 4.28Å; T463-L467 HydrophobicContact CG2-CD1 4.15Å; T463-L467 HydrophobicContact CG2-CG 4.37Å; T463-L467 WeakPolarHBondContact O-CB 3.5Å; T463-L467 WeakPolarHBondContact O-CG 3.47Å; T463-L467 PolarHBondContact O-N 2.76Å; F464-L467 PolarHBondContact O-N 2.75Å; L467-I470 PolarHBondContact O-N 2.8Å; L467-L471 WeakPolarHBondContact O-CB 3.32Å; L467-L471 PolarHBondContact O-N 2.71Å; L467-T515 HydrophobicContact CD2-CG2 3.84Å; L467-L518 HydrophobicContact CD2-CD1 4.14Å; L467-L518 HydrophobicContact CG-CD1 4.41Å
468A89.3Confident84.7Confident40 Ų4054.6 Ų54.633%0.33130%0.298SS..Hα-helixtrans-65-39.3174.500000111.7F464 L465 L471 L472F464-A468 WeakPolarHBondContact O-CB 3.49Å; F464-A468 PolarHBondContact O-N 3.42Å; L465-A468 PolarHBondContact O-N 2.75Å; A468-L471 PolarHBondContact O-N 3.21Å; A468-L472 WeakPolarHBondContact O-CB 3.38Å; A468-L472 PolarHBondContact O-N 3.29Å
469L88.9Confident83.5Confident96 Ų9653.6 Ų53.650%0.50329%0.293SS..Hα-helixtrans-61.9-45172.8-177.269.2000111.3L465 L466 L471 L472 L473L465-L469 WeakPolarHBondContact O-CB 3.4Å; L465-L469 PolarHBondContact O-N 3.34Å; L466-L469 WeakPolarHBondContact O-CB 3.36Å; L466-L469 PolarHBondContact O-N 3.49Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L469-L471 PolarHBondContact O-N 2.7Å; L469-L472 PolarHBondContact O-N 2.87Å; L469-L473 HydrophobicContact CG-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.29Å; L469-L473 WeakPolarHBondContact O-CG 3.45Å; L469-L473 PolarHBondContact O-N 3.41Å
470I87.8Confident82.1Confident15 Ų1558.6 Ų58.68%0.07732%0.318CS..Hα-helixtrans-63.3-41.3177-65.5167.9000111.2V432 L466 L467 L473 C474 L511 T515V432-I470 HydrophobicContact CG1-CG2 4.13Å; L466-I470 WeakPolarHBondContact O-CG1 3.46Å; L466-I470 PolarHBondContact O-N 2.77Å; L467-I470 PolarHBondContact O-N 2.8Å; I470-L473 PolarHBondContact O-N 3.24Å; I470-C474 PolarHBondContact O-N 2.87Å; I470-C474 VanDerWaalsContact O-N 3.08Å; I470-C474 PolarHBondContact O-SG 2.87Å; I470-L511 HydrophobicContact CG1-CD2 4.28Å; I470-L511 HydrophobicContact CG2-CD2 4.19Å; I470-T515 HydrophobicContact CB-CG2 4.37Å; I470-T515 HydrophobicContact CD1-CG2 3.71Å; I470-T515 HydrophobicContact CG2-CG2 3.72Å
471L86.9Confident80.5Confident53 Ų5365 Ų6528%0.27735%0.348SS..Hα-helixtrans-63.7-44.2175.3-166.884.2000111.3V432 L467 A468 L469 L473 C474 F475V432-L471 HydrophobicContact CG1-CD1 4.11Å; L467-L471 WeakPolarHBondContact O-CB 3.32Å; L467-L471 PolarHBondContact O-N 2.71Å; A468-L471 PolarHBondContact O-N 3.21Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L469-L471 PolarHBondContact O-N 2.7Å; L471-L473 VanDerWaalsContact C-N 3.35Å; L471-L473 PolarHBondContact O-N 3.07Å; L471-C474 WeakPolarHBondContact O-CB 3.2Å; L471-C474 PolarHBondContact O-N 3.37Å; L471-C474 VanDerWaalsContact O-N 3.12Å; L471-F475 HydrophobicContact CD1-CD2 4.22Å; L471-F475 HydrophobicContact CD1-CE2 4.01Å; L471-F475 HydrophobicContact CG-CD2 4.06Å; L471-F475 HydrophobicContact CG-CE2 4.31Å; L471-F475 WeakPolarHBondContact O-CD2 3.32Å; L471-F475 PolarHBondContact O-N 3.48Å
472L83.9Confident78.5Confident80 Ų8066.6 Ų66.642%0.41936%0.364SS..Hα-helixtrans-60-44.5176.2-170.486000110.8A468 L469 C474 F475 A476 I479A468-L472 WeakPolarHBondContact O-CB 3.38Å; A468-L472 PolarHBondContact O-N 3.29Å; L469-L472 PolarHBondContact O-N 2.87Å; L472-C474 VanDerWaalsContact C-N 3.26Å; L472-C474 PolarHBondContact O-N 3.36Å; L472-F475 CarbonylContact O-C 3.57Å; L472-F475 PolarHBondContact O-N 3.34Å; L472-A476 WeakPolarHBondContact O-CA 3.24Å; L472-A476 WeakPolarHBondContact O-CB 3.24Å; L472-A476 PolarHBondContact O-N 2.86Å; L472-I479 HydrophobicContact CD1-CD1 4.19Å
473L82.4Confident76.4Confident56 Ų5664 Ų6429%0.29336%0.364SS..Hα-helixtrans-59.4-36.8175-71.5169.9000112.1L469 I470 L471 L493L469-L473 HydrophobicContact CG-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.29Å; L469-L473 WeakPolarHBondContact O-CG 3.45Å; L469-L473 PolarHBondContact O-N 3.41Å; I470-L473 PolarHBondContact O-N 3.24Å; L471-L473 VanDerWaalsContact C-N 3.35Å; L471-L473 PolarHBondContact O-N 3.07Å; L473-L493 HydrophobicContact CD2-CD2 4.33Å
474C80.3Confident74.3Confident22 Ų2274.6 Ų74.615%0.14941%0.41CS..Hα-helixtrans-73.5-32176.9-65.60000113.4K429 I470 L471 L472K429-C474 HydrophobicContact CB-CB 4.13Å; I470-C474 PolarHBondContact O-N 2.87Å; I470-C474 VanDerWaalsContact O-N 3.08Å; I470-C474 PolarHBondContact O-SG 2.87Å; L471-C474 WeakPolarHBondContact O-CB 3.2Å; L471-C474 PolarHBondContact O-N 3.37Å; L471-C474 VanDerWaalsContact O-N 3.12Å; L472-C474 VanDerWaalsContact C-N 3.26Å; L472-C474 PolarHBondContact O-N 3.36Å
475F79.8Confident71.9Confident50 Ų5071.9 Ų71.922%0.21941%0.413CS..Hα-helixtrans-100.1-7.3-177.6-82.8-90.1000114.9K429 T433 L471 L472 G477 H478 I479K429-F475 HydrophobicContact CB-CD2 4.35Å; K429-F475 HydrophobicContact CB-CE2 3.9Å; K429-F475 HydrophobicContact CB-CZ 4.1Å; K429-F475 HydrophobicContact CD-CE1 4.19Å; K429-F475 HydrophobicContact CD-CZ 4.31Å; K429-F475 HydrophobicContact CG-CE2 4.5Å; K429-F475 HydrophobicContact CG-CZ 4.19Å; T433-F475 WeakPolarHBondContact OG1-CE2 3.47Å; L471-F475 HydrophobicContact CD1-CD2 4.22Å; L471-F475 HydrophobicContact CD1-CE2 4.01Å; L471-F475 HydrophobicContact CG-CD2 4.06Å; L471-F475 HydrophobicContact CG-CE2 4.31Å; L471-F475 WeakPolarHBondContact O-CD2 3.32Å; L471-F475 PolarHBondContact O-N 3.48Å; L472-F475 CarbonylContact O-C 3.57Å; L472-F475 PolarHBondContact O-N 3.34Å; F475-G477 PolarHBondContact O-N 2.85Å; F475-H478 PolarHBondContact O-N 2.97Å; F475-I479 PolarHBondContact O-N 3.32Å
476A70.6Confident69.6Low16 Ų1672.2 Ų72.213%0.13243%0.425CS..Hα-helixtrans-49.9-36.7-178.600000112.5L472 H478 L480 S497L472-A476 WeakPolarHBondContact O-CA 3.24Å; L472-A476 WeakPolarHBondContact O-CB 3.24Å; L472-A476 PolarHBondContact O-N 2.86Å; A476-H478 PolarHBondContact O-N 3.13Å; A476-L480 WeakPolarHBondContact O-CB 3.37Å; A476-L480 PolarHBondContact O-N 2.95Å; A476-L480 VanDerWaalsContact O-N 3.12Å; A476-S497 WeakPolarHBondContact CB-OG 3.42Å
477G62.2Low66.9Low13 Ų1378.2 Ų78.213%0.13445%0.448CS..Hα-helixtrans-64.6-31.1176.200000116F475F475-G477 PolarHBondContact O-N 2.85Å
478H64.8Low64.3Low106 Ų10683.5 Ų83.549%0.49149%0.485SS..Hα-helixtrans-83-38.4177.1-98.6-81.8000112K429 F475 A476 L480 Q481 G482K429-H478 PolarHBondContact NZ-CD2 3.26Å; K429-H478 PolarHBondContact NZ-NE2 3.18Å; F475-H478 PolarHBondContact O-N 2.97Å; A476-H478 PolarHBondContact O-N 3.13Å; H478-L480 VanDerWaalsContact C-N 3.27Å; H478-L480 PolarHBondContact O-N 2.75Å; H478-Q481 PolarHBondContact O-N 3.05Å; H478-G482 PolarHBondContact O-N 2.78Å; H478-G482 VanDerWaalsContact O-N 3.1Å
479I61.9Low61.8Low106 Ų10687 Ų8754%0.54451%0.507SS..Hα-helixtrans-62.9-38.4178.3-63.3174.7000109.9L472 F475 Q481L472-I479 HydrophobicContact CD1-CD1 4.19Å; F475-I479 PolarHBondContact O-N 3.32Å; I479-Q481 PolarHBondContact O-N 3.47Å
480L57.9Low59.7Low120 Ų12088.7 Ų88.763%0.62852%0.516SS*.Hα-helixtrans-73.7-21.2178.3-140.578.1000114.2A476 H478 A495A476-L480 WeakPolarHBondContact O-CB 3.37Å; A476-L480 PolarHBondContact O-N 2.95Å; A476-L480 VanDerWaalsContact O-N 3.12Å; H478-L480 VanDerWaalsContact C-N 3.27Å; H478-L480 PolarHBondContact O-N 2.75Å; L480-A495 HydrophobicContact CD2-CB 3.78Å
481Q55.5Low57.7Low137 Ų13794 Ų9464%0.6455%0.551SS**Hα-helixtrans-89.8-24.3175.8-98.6-178.4-31.900113.4H478 I479H478-Q481 PolarHBondContact O-N 3.05Å; I479-Q481 PolarHBondContact O-N 3.47Å
482G46.3Very low55.7Low67 Ų67102.8 Ų102.869%0.69158%0.58SS**Hα-helixtrans-86.2-15.4-178.900000115.3H478 K484H478-G482 PolarHBondContact O-N 2.78Å; H478-G482 VanDerWaalsContact O-N 3.1Å; G482-K484 PolarHBondContact O-N 3.36Å
483G46.8Very low53.8Low56 Ų56103 Ų10358%0.57758%0.582SS**  trans-87.783.7-17900000113.4
484K46.1Very low52.1Low226 Ų226104 Ų10498%0.98359%0.592SS**  trans-81.96.9158.6-99.1-179.6177.3178.20112.8G482G482-K484 PolarHBondContact O-N 3.36Å
485G43.9Very low50.4Low54 Ų54106.7 Ų106.756%0.55762%0.615SS**SBendtrans-122.3131.3-17800000112F487G485-F487 PolarHBondContact O-N 3.39Å
486S43.7Very low48.8Very low124 Ų124106.4 Ų106.487%0.86762%0.619SS**  trans-45.4100.4176.5-173.60000113.2
487F34.3Very low47.8Very low201 Ų201106.5 Ų106.588%0.88262%0.619SS**  trans-136.6127.5154.3-91.8-80000108.4G485 S489G485-F487 PolarHBondContact O-N 3.39Å; F487-S489 PolarHBondContact O-N 2.73Å
488C37.9Very low47.2Very low116 Ų116112.4 Ų112.478%0.78464%0.637SS**  trans-19.9118.8-173.6-70.60000116.6L490C488-L490 PolarHBondContact O-N 3.26Å; C488-L490 VanDerWaalsContact O-N 3.09Å
489S36.5Very low46.7Very low114 Ų114112.3 Ų112.380%0.79764%0.639SS**  trans-60.9101.7164.751.30000110.6F487 P491F487-S489 PolarHBondContact O-N 2.73Å; S489-P491 WeakPolarHBondContact O-CD 3.31Å
490L44.6Very low46.5Very low131 Ų131110.4 Ų110.469%0.68663%0.629SS**  trans-71.2117.9160.3-97.994.3000108.5C488 W492C488-L490 PolarHBondContact O-N 3.26Å; C488-L490 VanDerWaalsContact O-N 3.09Å; L490-W492 PolarHBondContact O-N 3.27Å; L490-W492 VanDerWaalsContact O-N 3.14Å
491P44.7Very low46.7Very low125 Ų125105.3 Ų105.381%0.81260%0.603SS**THydrogen-bonded Turntrans-74.2-1.7-174.9-14.830.4000114.8S489S489-P491 WeakPolarHBondContact O-CD 3.31Å
492W46.5Very low47Very low238 Ų238100.8 Ų100.890%0.90259%0.585SS**THydrogen-bonded Turntrans-104.9-0.5-168.5-103.256000115.3L490L490-W492 PolarHBondContact O-N 3.27Å; L490-W492 VanDerWaalsContact O-N 3.14Å
493L42.8Very low47.9Very low86 Ų86101.3 Ų101.345%0.4557%0.572SS.*SBendtrans-113.4104.8174.1-81.2164.9000109.4L473L473-L493 HydrophobicContact CD2-CD2 4.33Å
494P47.1Very low49.3Very low77 Ų77102.2 Ų102.250%0.556%0.564SS.*  trans-73.4142.1-173.131.6-35.8000110.4S496 S497P494-S496 VanDerWaalsContact CB-OG 3.29Å; P494-S496 WeakPolarHBondContact CB-OG 3.47Å; P494-S496 PolarHBondContact O-N 3.09Å; P494-S497 PolarHBondContact O-N 3.47Å; P494-S497 VanDerWaalsContact O-N 3.07Å; P494-S497 PolarHBondContact O-OG 3.49Å
495A45.4Very low50.9Low77 Ų7793.4 Ų93.464%0.63653%0.53SS*.THydrogen-bonded Turntrans-55.5-7.7174.600000113.9L480L480-A495 HydrophobicContact CD2-CB 3.78Å
496S46.4Very low52.7Low45 Ų45100.2 Ų100.232%0.31554%0.539SS..THydrogen-bonded Turntrans-82.6-7.5175.848.60000115.1P494 R498 I499 I500P494-S496 VanDerWaalsContact CB-OG 3.29Å; P494-S496 WeakPolarHBondContact CB-OG 3.47Å; P494-S496 PolarHBondContact O-N 3.09Å; S496-R498 VanDerWaalsContact C-N 3.3Å; S496-R498 PolarHBondContact O-N 3.5Å; S496-I499 PolarHBondContact O-N 2.91Å; S496-I500 WeakPolarHBondContact O-CB 3.48Å; S496-I500 VanDerWaalsContact O-CG1 3.22Å; S496-I500 WeakPolarHBondContact O-CG1 3.23Å; S496-I500 PolarHBondContact O-N 3.34Å; S496-I500 WeakPolarHBondContact OG-CD1 3.2Å
497S48.5Very low54.6Low17 Ų1797.2 Ų97.212%0.11951%0.512CS..Hα-helixtrans-57.1-36.1-179.555.60000114.5A476 P494 I499 V501A476-S497 WeakPolarHBondContact CB-OG 3.42Å; P494-S497 PolarHBondContact O-N 3.47Å; P494-S497 VanDerWaalsContact O-N 3.07Å; P494-S497 PolarHBondContact O-OG 3.49Å; S497-I499 VanDerWaalsContact C-N 3.34Å; S497-I499 PolarHBondContact O-N 3.04Å; S497-V501 PolarHBondContact O-N 3.21Å; S497-V501 VanDerWaalsContact O-N 3.17Å
498R49.8Very low57Low138 Ų13889.1 Ų89.152%0.52148%0.476SS..Hα-helixtrans-59.6-42.3173.7-179.6179.3150.9-165.6-10112.5S496 T502S496-R498 VanDerWaalsContact C-N 3.3Å; S496-R498 PolarHBondContact O-N 3.5Å; R498-T502 WeakPolarHBondContact O-CG2 3.17Å; R498-T502 PolarHBondContact O-OG1 3.45Å
499I53.8Low59.3Low103 Ų10386.3 Ų86.353%0.52845%0.453SS..Hα-helixtrans-80.9-37.5-175.1-65.4170.8000109.5S496 S497 N503S496-I499 PolarHBondContact O-N 2.91Å; S497-I499 VanDerWaalsContact C-N 3.34Å; S497-I499 PolarHBondContact O-N 3.04Å; I499-N503 WeakPolarHBondContact CG2-ND2 3.45Å; I499-N503 WeakPolarHBondContact O-CB 3.46Å; I499-N503 VanDerWaalsContact O-CG 3.24Å; I499-N503 PolarHBondContact O-N 3.2Å; I499-N503 VanDerWaalsContact O-N 3.11Å; I499-N503 PolarHBondContact O-ND2 3.14Å
500I58.5Low61.8Low66 Ų6684.9 Ų84.934%0.33844%0.439SS..Hα-helixtrans-71.2-45.2-176.2-66.7166.5000111.6S496 N504 L507S496-I500 WeakPolarHBondContact O-CB 3.48Å; S496-I500 VanDerWaalsContact O-CG1 3.22Å; S496-I500 WeakPolarHBondContact O-CG1 3.23Å; S496-I500 PolarHBondContact O-N 3.34Å; S496-I500 WeakPolarHBondContact OG-CD1 3.2Å; I500-N504 WeakPolarHBondContact CG2-ND2 3.45Å; I500-N504 WeakPolarHBondContact O-CB 3.34Å; I500-N504 PolarHBondContact O-N 3.27Å; I500-N504 VanDerWaalsContact O-N 3.09Å; I500-N504 PolarHBondContact O-ND2 2.77Å; I500-L507 HydrophobicContact CG2-CD2 3.78Å
501V60.8Low63.8Low13 Ų1379.4 Ų79.48%0.07941%0.411CS..Hα-helixtrans-75.9-35.4-176.2179.60000112.4F428 S497 L507 L511F428-V501 HydrophobicContact CD1-CG1 4.28Å; F428-V501 HydrophobicContact CE1-CG1 4.3Å; S497-V501 PolarHBondContact O-N 3.21Å; S497-V501 VanDerWaalsContact O-N 3.17Å; V501-L507 HydrophobicContact CB-CD2 4.46Å; V501-L507 HydrophobicContact CG2-CD2 3.82Å; V501-L511 HydrophobicContact CG1-CD1 3.89Å
502T62.6Low65.9Low43 Ų4373.6 Ų73.626%0.26437%0.373SS..Hα-helixtrans-81-29-178.858.60000113.4R498R498-T502 WeakPolarHBondContact O-CG2 3.17Å; R498-T502 PolarHBondContact O-OG1 3.45Å
503N64.9Low68Low78 Ų7865 Ų6542%0.41734%0.343SS..Hα-helixtrans-94.1-24.3180-63.2-12.1000114T424 I499 P505T424-N503 VanDerWaalsContact CG2-OD1 3.23Å; T424-N503 WeakPolarHBondContact CG2-OD1 3.5Å; I499-N503 WeakPolarHBondContact CG2-ND2 3.45Å; I499-N503 WeakPolarHBondContact O-CB 3.46Å; I499-N503 VanDerWaalsContact O-CG 3.24Å; I499-N503 PolarHBondContact O-N 3.2Å; I499-N503 VanDerWaalsContact O-N 3.11Å; I499-N503 PolarHBondContact O-ND2 3.14Å; N503-P505 WeakPolarHBondContact O-CD 3.49Å
504N77.4Confident70.2Confident75 Ų7563.6 Ų63.640%0.40134%0.338SS..  trans-92.4107.6179.8-68-55.7000111.9I500 W506 L507 R508I500-N504 WeakPolarHBondContact CG2-ND2 3.45Å; I500-N504 WeakPolarHBondContact O-CB 3.34Å; I500-N504 PolarHBondContact O-N 3.27Å; I500-N504 VanDerWaalsContact O-N 3.09Å; I500-N504 PolarHBondContact O-ND2 2.77Å; N504-W506 VanDerWaalsContact C-N 3.32Å; N504-W506 PolarHBondContact O-N 3.46Å; N504-L507 HydrophobicContact CB-CB 4.05Å; N504-L507 PolarHBondContact O-N 3.39Å; N504-R508 PolarHBondContact O-N 3.39Å
505P78.2Confident72.3Confident41 Ų4160 Ų6027%0.26632%0.315SS..Hα-helixtrans-67.3-31.8-176.427.1-35.1000113R421 N503 R508 L509R421-P505 VanDerWaalsContact O-CB 3.27Å; R421-P505 WeakPolarHBondContact O-CB 3.4Å; N503-P505 WeakPolarHBondContact O-CD 3.49Å; P505-R508 PolarHBondContact O-N 2.9Å; P505-L509 WeakPolarHBondContact O-CB 3.42Å; P505-L509 PolarHBondContact O-N 3.21Å
506W82.7Confident74.4Confident197 Ų19756.5 Ų56.575%0.74629%0.286SS*.Hα-helixtrans-66.4-42.7177.3-70.9108.6000112.5N504 L509 V510N504-W506 VanDerWaalsContact C-N 3.32Å; N504-W506 PolarHBondContact O-N 3.46Å; W506-L509 HydrophobicContact CE3-CD2 4.28Å; W506-L509 HydrophobicContact CZ3-CD2 4.32Å; W506-L509 WeakPolarHBondContact O-CB 3.37Å; W506-L509 PolarHBondContact O-N 3.33Å; W506-V510 WeakPolarHBondContact O-CG2 3.43Å; W506-V510 PolarHBondContact O-N 2.85Å
507L83.8Confident76.6Confident61 Ų6156.8 Ų56.832%0.31929%0.29SS..Hα-helixtrans-65.1-42.4177.5-177.459.9000111I500 V501 N504 L509 V510 L511I500-L507 HydrophobicContact CG2-CD2 3.78Å; V501-L507 HydrophobicContact CB-CD2 4.46Å; V501-L507 HydrophobicContact CG2-CD2 3.82Å; N504-L507 HydrophobicContact CB-CB 4.05Å; N504-L507 PolarHBondContact O-N 3.39Å; L507-L509 VanDerWaalsContact C-N 3.31Å; L507-L509 PolarHBondContact O-N 3.36Å; L507-V510 PolarHBondContact O-N 3.32Å; L507-L511 HydrophobicContact CD1-CD1 4.4Å; L507-L511 HydrophobicContact CD1-CG 4.32Å; L507-L511 HydrophobicContact CG-CD1 4.15Å; L507-L511 HydrophobicContact CG-CG 4.49Å; L507-L511 VanDerWaalsContact O-CG 3.32Å; L507-L511 WeakPolarHBondContact O-CG 3.41Å; L507-L511 PolarHBondContact O-N 3.01Å
508R84.1Confident78.7Confident31 Ų3158 Ų5812%0.11730%0.295CS..Hα-helixtrans-57.5-45174.1-172.6175.668.9-153.22.1111.6T423 L425 F428 N504 P505 T512T423-R508 PolarHBondContact O-NH1 2.87Å; T423-R508 VanDerWaalsContact O-NH1 3.1Å; L425-R508 VanDerWaalsContact CB-NH1 3.31Å; F428-R508 HydrophobicContact CD1-CG 4.27Å; F428-R508 HydrophobicContact CD2-CG 3.56Å; F428-R508 HydrophobicContact CE1-CG 4.1Å; F428-R508 HydrophobicContact CE2-CG 3.37Å; F428-R508 HydrophobicContact CG-CG 4.01Å; F428-R508 HydrophobicContact CZ-CG 3.66Å; N504-R508 PolarHBondContact O-N 3.39Å; P505-R508 PolarHBondContact O-N 2.9Å; R508-T512 WeakPolarHBondContact O-CB 3.21Å; R508-T512 PolarHBondContact O-N 3.28Å; R508-T512 PolarHBondContact O-OG1 3.44Å
509L86.3Confident80.7Confident57 Ų5751.4 Ų51.430%0.29827%0.271SS..Hα-helixtrans-59.9-50.9177.4-171.166.8000111.1P505 W506 L507 L511 T512 M513 I586 L590P505-L509 WeakPolarHBondContact O-CB 3.42Å; P505-L509 PolarHBondContact O-N 3.21Å; W506-L509 HydrophobicContact CE3-CD2 4.28Å; W506-L509 HydrophobicContact CZ3-CD2 4.32Å; W506-L509 WeakPolarHBondContact O-CB 3.37Å; W506-L509 PolarHBondContact O-N 3.33Å; L507-L509 VanDerWaalsContact C-N 3.31Å; L507-L509 PolarHBondContact O-N 3.36Å; L509-L511 PolarHBondContact O-N 2.78Å; L509-T512 PolarHBondContact O-N 2.87Å; L509-M513 VanDerWaalsContact O-CG 3.28Å; L509-M513 WeakPolarHBondContact O-CG 3.37Å; L509-M513 PolarHBondContact O-N 3.22Å; L509-I586 HydrophobicContact CD1-CG2 4.28Å; L509-L590 HydrophobicContact CD1-CD2 3.49Å; L509-L590 VanDerWaalsContact CD1-CD2 3.49Å; L509-L590 HydrophobicContact CG-CD2 4.31Å
510V88.3Confident82.5Confident83 Ų8347.3 Ų47.350%0.50325%0.25SC..Hα-helixtrans-58.8-49.7179.8172.30000111.2W506 L507 T512 M513 T514W506-V510 WeakPolarHBondContact O-CG2 3.43Å; W506-V510 PolarHBondContact O-N 2.85Å; L507-V510 PolarHBondContact O-N 3.32Å; V510-T512 PolarHBondContact O-N 3.01Å; V510-M513 PolarHBondContact O-N 3.3Å; V510-T514 HydrophobicContact CG1-CG2 4.37Å; V510-T514 WeakPolarHBondContact O-CG2 3.5Å; V510-T514 PolarHBondContact O-N 2.96Å; V510-T514 PolarHBondContact O-OG1 3.3Å; V510-T514 VanDerWaalsContact O-OG1 3.14Å
511L88.3Confident84.1Confident17 Ų1747.9 Ų47.99%0.08926%0.256CS..Hα-helixtrans-60.3-34.5178.7-69.2174.5000112.7F428 I470 V501 L507 L509 T514 T515F428-L511 HydrophobicContact CZ-CB 4.43Å; I470-L511 HydrophobicContact CG1-CD2 4.28Å; I470-L511 HydrophobicContact CG2-CD2 4.19Å; V501-L511 HydrophobicContact CG1-CD1 3.89Å; L507-L511 HydrophobicContact CD1-CD1 4.4Å; L507-L511 HydrophobicContact CD1-CG 4.32Å; L507-L511 HydrophobicContact CG-CD1 4.15Å; L507-L511 HydrophobicContact CG-CG 4.49Å; L507-L511 VanDerWaalsContact O-CG 3.32Å; L507-L511 WeakPolarHBondContact O-CG 3.41Å; L507-L511 PolarHBondContact O-N 3.01Å; L509-L511 PolarHBondContact O-N 2.78Å; L511-T514 WeakPolarHBondContact CA-OG1 3.4Å; L511-T514 PolarHBondContact O-OG1 3.45Å; L511-T515 WeakPolarHBondContact O-CB 3.48Å; L511-T515 VanDerWaalsContact O-CG2 3.23Å; L511-T515 WeakPolarHBondContact O-CG2 3.44Å; L511-T515 PolarHBondContact O-N 3.15Å; L511-T515 VanDerWaalsContact O-N 3.1Å; L511-T515 PolarHBondContact O-OG1 3.44Å
512T88.1Confident85.5Confident3 Ų348 Ų482%0.01826%0.256CS..Hα-helixtrans-74.5-40.8178.9-49.10000111.9F428 R508 L509 V510 T515 T516 F583 I586F428-T512 VanDerWaalsContact CE2-OG1 3.23Å; F428-T512 WeakPolarHBondContact CE2-OG1 3.41Å; F428-T512 WeakPolarHBondContact CZ-OG1 3.38Å; R508-T512 WeakPolarHBondContact O-CB 3.21Å; R508-T512 PolarHBondContact O-N 3.28Å; R508-T512 PolarHBondContact O-OG1 3.44Å; L509-T512 PolarHBondContact O-N 2.87Å; V510-T512 PolarHBondContact O-N 3.01Å; T512-T515 WeakPolarHBondContact CA-OG1 3.09Å; T512-T515 PolarHBondContact O-OG1 3.21Å; T512-T516 WeakPolarHBondContact O-CB 3.44Å; T512-T516 WeakPolarHBondContact O-CG2 3.42Å; T512-T516 PolarHBondContact O-N 3.02Å; T512-T516 PolarHBondContact O-OG1 2.92Å; T512-F583 HydrophobicContact CG2-CB 3.98Å; T512-F583 HydrophobicContact CG2-CD1 3.34Å; T512-F583 HydrophobicContact CG2-CD2 3.62Å; T512-F583 HydrophobicContact CG2-CE1 3.59Å; T512-F583 HydrophobicContact CG2-CE2 3.86Å; T512-F583 HydrophobicContact CG2-CG 3.35Å; T512-F583 HydrophobicContact CG2-CZ 3.83Å; T512-I586 HydrophobicContact CG2-CD1 3.18Å; T512-I586 HydrophobicContact CG2-CG1 3.98Å
513M89.4Confident86.7Confident57 Ų5746 Ų4628%0.28124%0.243SC..Hα-helixtrans-66.3-39.2176.5-66.2-59.9-67.700111.7L509 V510 T516 A517 L590 V594L509-M513 VanDerWaalsContact O-CG 3.28Å; L509-M513 WeakPolarHBondContact O-CG 3.37Å; L509-M513 PolarHBondContact O-N 3.22Å; V510-M513 PolarHBondContact O-N 3.3Å; M513-T516 WeakPolarHBondContact CA-OG1 3.14Å; M513-T516 PolarHBondContact O-OG1 3.21Å; M513-T516 VanDerWaalsContact O-OG1 3.07Å; M513-A517 VanDerWaalsContact O-CB 3.23Å; M513-A517 WeakPolarHBondContact O-CB 3.39Å; M513-A517 PolarHBondContact O-N 2.95Å; M513-L590 HydrophobicContact CE-CD1 3.9Å; M513-L590 HydrophobicContact CE-CD2 4.2Å; M513-L590 HydrophobicContact CE-CG 4.05Å; M513-L590 HydrophobicContact CG-CD2 4.15Å; M513-L590 HydrophobicContact SD-CD1 4.25Å; M513-L590 HydrophobicContact SD-CD2 3.46Å; M513-L590 WeakPolarHBondContact SD-CD2 3.47Å; M513-L590 HydrophobicContact SD-CG 3.76Å; M513-V594 HydrophobicContact CE-CG2 3.32Å; M513-V594 HydrophobicContact SD-CG2 4.11Å
514T90.1Very high87.8Confident56 Ų5642.6 Ų42.634%0.34423%0.226SC..Hα-helixtrans-67.7-46176.855.10000112V510 L511 T516 A517 L518V510-T514 HydrophobicContact CG1-CG2 4.37Å; V510-T514 WeakPolarHBondContact O-CG2 3.5Å; V510-T514 PolarHBondContact O-N 2.96Å; V510-T514 PolarHBondContact O-OG1 3.3Å; V510-T514 VanDerWaalsContact O-OG1 3.14Å; L511-T514 WeakPolarHBondContact CA-OG1 3.4Å; L511-T514 PolarHBondContact O-OG1 3.45Å; T514-T516 PolarHBondContact O-N 3.45Å; T514-A517 PolarHBondContact O-N 2.85Å; T514-L518 WeakPolarHBondContact O-CB 3.15Å; T514-L518 VanDerWaalsContact O-CG 3.26Å; T514-L518 WeakPolarHBondContact O-CG 3.39Å; T514-L518 PolarHBondContact O-N 3.41Å
515T90.4Very high88.1Confident1 Ų141.4 Ų41.41%0.00622%0.217CC..Hα-helixtrans-60.6-45.9177.447.30000112.4L467 I470 L511 T512 I519L467-T515 HydrophobicContact CD2-CG2 3.84Å; I470-T515 HydrophobicContact CB-CG2 4.37Å; I470-T515 HydrophobicContact CD1-CG2 3.71Å; I470-T515 HydrophobicContact CG2-CG2 3.72Å; L511-T515 WeakPolarHBondContact O-CB 3.48Å; L511-T515 VanDerWaalsContact O-CG2 3.23Å; L511-T515 WeakPolarHBondContact O-CG2 3.44Å; L511-T515 PolarHBondContact O-N 3.15Å; L511-T515 VanDerWaalsContact O-N 3.1Å; L511-T515 PolarHBondContact O-OG1 3.44Å; T512-T515 WeakPolarHBondContact CA-OG1 3.09Å; T512-T515 PolarHBondContact O-OG1 3.21Å; T515-I519 VanDerWaalsContact O-CG1 3.3Å; T515-I519 WeakPolarHBondContact O-CG1 3.48Å; T515-I519 PolarHBondContact O-N 2.9Å
516T90.4Very high88.1Confident5 Ų539.5 Ų39.53%0.03121%0.205CC..Hα-helixtrans-65.6-43.917850.60000112.5T512 M513 T514 L518 I519 L520 F583T512-T516 WeakPolarHBondContact O-CB 3.44Å; T512-T516 WeakPolarHBondContact O-CG2 3.42Å; T512-T516 PolarHBondContact O-N 3.02Å; T512-T516 PolarHBondContact O-OG1 2.92Å; M513-T516 WeakPolarHBondContact CA-OG1 3.14Å; M513-T516 PolarHBondContact O-OG1 3.21Å; M513-T516 VanDerWaalsContact O-OG1 3.07Å; T514-T516 PolarHBondContact O-N 3.45Å; T516-L518 PolarHBondContact O-N 3.46Å; T516-I519 PolarHBondContact O-N 2.91Å; T516-L520 WeakPolarHBondContact O-CB 3.2Å; T516-L520 VanDerWaalsContact O-CG 3.3Å; T516-L520 WeakPolarHBondContact O-CG 3.43Å; T516-L520 PolarHBondContact O-N 3.15Å; T516-F583 HydrophobicContact CG2-CD2 3.79Å; T516-F583 HydrophobicContact CG2-CE2 3.49Å; T516-F583 VanDerWaalsContact CG2-CE2 3.49Å
517A91.2Very high87.9Confident50 Ų5030.5 Ų30.541%0.41317%0.171SC..Hα-helixtrans-61.1-43.8177.300000112.3M513 T514 I519 L520 V521M513-A517 VanDerWaalsContact O-CB 3.23Å; M513-A517 WeakPolarHBondContact O-CB 3.39Å; M513-A517 PolarHBondContact O-N 2.95Å; T514-A517 PolarHBondContact O-N 2.85Å; A517-I519 VanDerWaalsContact C-N 3.33Å; A517-I519 PolarHBondContact O-N 3.48Å; A517-L520 PolarHBondContact O-N 3.45Å; A517-V521 WeakPolarHBondContact O-CB 3.27Å; A517-V521 VanDerWaalsContact O-CG2 3.3Å; A517-V521 WeakPolarHBondContact O-CG2 3.48Å; A517-V521 PolarHBondContact O-N 2.95Å
518L93Very high87.4Confident42 Ų4233.6 Ų33.622%0.2218%0.182CC..Hα-helixtrans-59.2-43.2177-73.5172.5000111.9T463 L466 L467 T514 T516 M522T463-L518 HydrophobicContact CG2-CB 3.94Å; T463-L518 HydrophobicContact CG2-CD1 4.39Å; T463-L518 HydrophobicContact CG2-CD2 4.12Å; T463-L518 HydrophobicContact CG2-CG 4.37Å; L466-L518 HydrophobicContact CB-CD1 4.22Å; L466-L518 HydrophobicContact CD1-CD2 4.44Å; L467-L518 HydrophobicContact CD2-CD1 4.14Å; L467-L518 HydrophobicContact CG-CD1 4.41Å; T514-L518 WeakPolarHBondContact O-CB 3.15Å; T514-L518 VanDerWaalsContact O-CG 3.26Å; T514-L518 WeakPolarHBondContact O-CG 3.39Å; T514-L518 PolarHBondContact O-N 3.41Å; T516-L518 PolarHBondContact O-N 3.46Å; L518-M522 WeakPolarHBondContact O-CB 3.39Å; L518-M522 WeakPolarHBondContact O-CG 3.21Å; L518-M522 PolarHBondContact O-N 3.31Å
519I92.4Very high86.9Confident1 Ų136.4 Ų36.41%0.00520%0.195CC..Hα-helixtrans-67.9-44.1179.3-63.7170.8000111.1A435 F439 I442 T515 T516 A517 V521 M522 A523 S579A435-I519 HydrophobicContact CB-CD1 3.82Å; A435-I519 WeakPolarHBondContact O-CD1 3.43Å; F439-I519 HydrophobicContact CB-CD1 4.4Å; F439-I519 HydrophobicContact CB-CG1 4.12Å; F439-I519 HydrophobicContact CD2-CG1 4.37Å; I442-I519 HydrophobicContact CD1-CG2 3.93Å; T515-I519 VanDerWaalsContact O-CG1 3.3Å; T515-I519 WeakPolarHBondContact O-CG1 3.48Å; T515-I519 PolarHBondContact O-N 2.9Å; T516-I519 PolarHBondContact O-N 2.91Å; A517-I519 VanDerWaalsContact C-N 3.33Å; A517-I519 PolarHBondContact O-N 3.48Å; I519-V521 PolarHBondContact O-N 2.78Å; I519-M522 PolarHBondContact O-N 3.08Å; I519-A523 PolarHBondContact O-N 2.89Å; I519-S579 WeakPolarHBondContact CG2-OG 3.34Å
520L92Very high86Confident16 Ų1634.7 Ų34.78%0.08419%0.187CC..Hα-helixtrans-64.1-40.2-180-71.4171.5000112.4T516 A517 G576 L577 V594 A598 Y602T516-L520 WeakPolarHBondContact O-CB 3.2Å; T516-L520 VanDerWaalsContact O-CG 3.3Å; T516-L520 WeakPolarHBondContact O-CG 3.43Å; T516-L520 PolarHBondContact O-N 3.15Å; A517-L520 PolarHBondContact O-N 3.45Å; L520-G576 WeakPolarHBondContact CD2-O 3.47Å; L520-L577 HydrophobicContact CD2-CD2 4.32Å; L520-V594 HydrophobicContact CD1-CG1 3.8Å; L520-A598 HydrophobicContact CD1-CB 3.98Å; L520-A598 HydrophobicContact CD2-CB 4.02Å; L520-Y602 VanDerWaalsContact CA-OH 3.28Å; L520-Y602 WeakPolarHBondContact CA-OH 3.32Å; L520-Y602 HydrophobicContact CD2-CE2 4.33Å; L520-Y602 WeakPolarHBondContact CD2-OH 3.14Å; L520-Y602 PolarHBondContact O-OH 2.96Å
521V91.1Very high84.4Confident79 Ų7939.2 Ų39.248%0.47920%0.203SC..Hα-helixtrans-67-45.8176.2171.60000110.4A517 I519 A523 V524 F525A517-V521 WeakPolarHBondContact O-CB 3.27Å; A517-V521 VanDerWaalsContact O-CG2 3.3Å; A517-V521 WeakPolarHBondContact O-CG2 3.48Å; A517-V521 PolarHBondContact O-N 2.95Å; I519-V521 PolarHBondContact O-N 2.78Å; V521-A523 PolarHBondContact O-N 2.9Å; V521-V524 WeakPolarHBondContact O-CG2 3.4Å; V521-V524 PolarHBondContact O-N 2.71Å; V521-V524 VanDerWaalsContact O-N 3.14Å; V521-F525 HydrophobicContact CG1-CD2 4.41Å; V521-F525 WeakPolarHBondContact O-CB 3.08Å; V521-F525 PolarHBondContact O-N 2.93Å
522M89.8Confident82.6Confident15 Ų1542.1 Ų42.17%0.07422%0.218CC..Hα-helixtrans-67.7-23.5-178.2-69.2-70.615000113.5F439 Q446 F460 T463 L518 I519 V524 F525F439-M522 HydrophobicContact CD2-CB 4.46Å; F439-M522 HydrophobicContact CE2-CB 3.94Å; F439-M522 HydrophobicContact CE2-CG 3.94Å; Q446-M522 PolarHBondContact NE2-O 3.47Å; F460-M522 HydrophobicContact CD2-SD 4.47Å; F460-M522 HydrophobicContact CE1-CB 4.23Å; F460-M522 HydrophobicContact CE2-SD 4.43Å; F460-M522 HydrophobicContact CZ-CB 4.19Å; T463-M522 HydrophobicContact CG2-CG 3.94Å; T463-M522 WeakPolarHBondContact OG1-CE 3.43Å; L518-M522 WeakPolarHBondContact O-CB 3.39Å; L518-M522 WeakPolarHBondContact O-CG 3.21Å; L518-M522 PolarHBondContact O-N 3.31Å; I519-M522 PolarHBondContact O-N 3.08Å; M522-V524 PolarHBondContact O-N 2.98Å; M522-F525 HydrophobicContact SD-CB 4.31Å; M522-F525 HydrophobicContact SD-CG 4.44Å
523A88.9Confident80.7Confident0 Ų047 Ų470%025%0.25CS..Hα-helixtrans-61.5-28.5173.400000113.3Q446 I519 V521Q446-A523 PolarHBondContact NE2-O 3Å; I519-A523 PolarHBondContact O-N 2.89Å; V521-A523 PolarHBondContact O-N 2.9Å
524V86.8Confident78.6Confident8 Ų847.7 Ų47.75%0.04827%0.271CS..Hα-helixtrans-118.6-9.7-177.9-680000114.5V521 M522 N526 M527 F528 C573 Y602 I605V521-V524 WeakPolarHBondContact O-CG2 3.4Å; V521-V524 PolarHBondContact O-N 2.71Å; V521-V524 VanDerWaalsContact O-N 3.14Å; M522-V524 PolarHBondContact O-N 2.98Å; V524-N526 PolarHBondContact O-N 3.33Å; V524-N526 VanDerWaalsContact O-N 3.1Å; V524-M527 HydrophobicContact CG1-SD 4.36Å; V524-M527 VanDerWaalsContact O-CB 3.32Å; V524-M527 WeakPolarHBondContact O-CB 3.42Å; V524-M527 PolarHBondContact O-N 2.82Å; V524-F528 HydrophobicContact CG2-CE2 4.48Å; V524-C573 WeakPolarHBondContact CG1-SG 3.45Å; V524-Y602 HydrophobicContact CB-CE1 4.23Å; V524-Y602 HydrophobicContact CG1-CD1 3.48Å; V524-Y602 VanDerWaalsContact CG1-CD1 3.48Å; V524-Y602 HydrophobicContact CG1-CE1 3.34Å; V524-Y602 HydrophobicContact CG1-CG 4.44Å; V524-Y602 HydrophobicContact CG2-CD1 4.39Å; V524-Y602 HydrophobicContact CG2-CE1 3.84Å; V524-I605 HydrophobicContact CB-CD1 4.31Å; V524-I605 HydrophobicContact CG2-CD1 4.24Å
525F84.9Confident76.1Confident50 Ų5048.5 Ų48.522%0.21929%0.291CS..G310 helixtrans-52.3-39.8-173.7-172.1-101.1000113.3V455 S459 V521 M522 M527 F528 F529V455-F525 HydrophobicContact CG1-CE1 4.46Å; S459-F525 WeakPolarHBondContact OG-CD1 3.07Å; S459-F525 WeakPolarHBondContact OG-CE1 3.25Å; V521-F525 HydrophobicContact CG1-CD2 4.41Å; V521-F525 WeakPolarHBondContact O-CB 3.08Å; V521-F525 PolarHBondContact O-N 2.93Å; M522-F525 HydrophobicContact SD-CB 4.31Å; M522-F525 HydrophobicContact SD-CG 4.44Å; F525-M527 VanDerWaalsContact C-N 3.28Å; F525-M527 PolarHBondContact O-N 3.14Å; F525-F528 PolarHBondContact O-N 3.25Å; F525-F529 HydrophobicContact CD1-CD2 4.48Å; F525-F529 HydrophobicContact CD1-CE2 4.03Å; F525-F529 HydrophobicContact CE1-CD2 4.23Å; F525-F529 AromaticContact CE1-CE2 3.46Å; F525-F529 HydrophobicContact CE1-CE2 3.46Å; F525-F529 VanDerWaalsContact CE1-CE2 3.46Å; F525-F529 HydrophobicContact CE1-CZ 4.23Å; F525-F529 HydrophobicContact CE2-CE2 4.14Å; F525-F529 AromaticContact CZ-CE2 3.54Å; F525-F529 HydrophobicContact CZ-CE2 3.54Å; F525-F529 AromaticContact CZ-CZ 3.98Å; F525-F529 HydrophobicContact CZ-CZ 3.98Å; F525-F529 WeakPolarHBondContact O-CD2 3.13Å
526N78.3Confident73.3Confident1 Ų153.3 Ų53.31%0.00533%0.331CS..G310 helixtrans-71-19.9-179.9-158.218.9000113.7L450 L456 V524 F528 F529 F569L450-N526 VanDerWaalsContact CB-ND2 3.32Å; L450-N526 WeakPolarHBondContact CB-ND2 2.83Å; L450-N526 HydrophobicContact CD1-CB 4.17Å; L450-N526 WeakPolarHBondContact CD1-ND2 3.02Å; L456-N526 HydrophobicContact CD1-CB 3.61Å; L456-N526 VanDerWaalsContact CD1-CG 3.47Å; L456-N526 WeakPolarHBondContact CD2-ND2 3.33Å; V524-N526 PolarHBondContact O-N 3.33Å; V524-N526 VanDerWaalsContact O-N 3.1Å; N526-F528 VanDerWaalsContact C-N 3.28Å; N526-F528 PolarHBondContact O-N 3.35Å; N526-F529 PolarHBondContact O-N 3.3Å; N526-F569 HydrophobicContact CB-CE1 4.27Å
527M77.5Confident70.9Confident8 Ų857.3 Ų57.34%0.03936%0.364CS..G310 helixtrans-64.6-34.9178.2-64.8-171.781.700111.7V524 F525 F529 V530 F569 I605 H610V524-M527 HydrophobicContact CG1-SD 4.36Å; V524-M527 VanDerWaalsContact O-CB 3.32Å; V524-M527 WeakPolarHBondContact O-CB 3.42Å; V524-M527 PolarHBondContact O-N 2.82Å; F525-M527 VanDerWaalsContact C-N 3.28Å; F525-M527 PolarHBondContact O-N 3.14Å; M527-F529 PolarHBondContact O-N 3.36Å; M527-V530 PolarHBondContact O-N 2.93Å; M527-F569 HydrophobicContact CB-CE1 4.36Å; M527-F569 HydrophobicContact CE-CB 3.93Å; M527-F569 HydrophobicContact CE-CD1 4.47Å; M527-F569 HydrophobicContact CE-CD2 3.98Å; M527-F569 HydrophobicContact CE-CG 3.91Å; M527-F569 HydrophobicContact CG-CB 4.35Å; M527-F569 HydrophobicContact CG-CD1 3.26Å; M527-F569 HydrophobicContact CG-CD2 4.1Å; M527-F569 HydrophobicContact CG-CE1 3.28Å; M527-F569 HydrophobicContact CG-CE2 4.09Å; M527-F569 HydrophobicContact CG-CG 3.68Å; M527-F569 HydrophobicContact CG-CZ 3.68Å; M527-F569 HydrophobicContact SD-CB 3.79Å; M527-F569 HydrophobicContact SD-CD1 3.82Å; M527-F569 HydrophobicContact SD-CD2 4.39Å; M527-F569 HydrophobicContact SD-CE1 4.42Å; M527-F569 HydrophobicContact SD-CG 3.79Å; M527-I605 HydrophobicContact CE-CG2 4.23Å; M527-I605 HydrophobicContact SD-CG2 3.94Å; M527-H610 PolarHBondContact O-CE1 3.46Å; M527-H610 PolarHBondContact O-NE2 3.21Å
528F75.1Confident68.2Low125 Ų12562.3 Ų62.355%0.54838%0.384SS..G310 helixtrans-66.9-19.4-179.5-67.7-76.2000114.5V524 F525 N526 I605V524-F528 HydrophobicContact CG2-CE2 4.48Å; F525-F528 PolarHBondContact O-N 3.25Å; N526-F528 VanDerWaalsContact C-N 3.28Å; N526-F528 PolarHBondContact O-N 3.35Å; F528-I605 HydrophobicContact CE2-CD1 4.26Å; F528-I605 HydrophobicContact CZ-CD1 3.82Å; F528-I605 HydrophobicContact CZ-CG1 4.36Å
529F72.4Confident65.2Low91 Ų9167.6 Ų67.640%0.39941%0.413SS..G310 helixtrans-103.62.4-178.1-63.6-81.1000113.2V455 F525 N526 M527 E531V455-F529 HydrophobicContact CG1-CD1 4.41Å; V455-F529 HydrophobicContact CG1-CE1 3.85Å; V455-F529 HydrophobicContact CG1-CE2 4.14Å; V455-F529 HydrophobicContact CG1-CZ 3.71Å; F525-F529 HydrophobicContact CD1-CD2 4.48Å; F525-F529 HydrophobicContact CD1-CE2 4.03Å; F525-F529 HydrophobicContact CE1-CD2 4.23Å; F525-F529 AromaticContact CE1-CE2 3.46Å; F525-F529 HydrophobicContact CE1-CE2 3.46Å; F525-F529 VanDerWaalsContact CE1-CE2 3.46Å; F525-F529 HydrophobicContact CE1-CZ 4.23Å; F525-F529 HydrophobicContact CE2-CE2 4.14Å; F525-F529 AromaticContact CZ-CE2 3.54Å; F525-F529 HydrophobicContact CZ-CE2 3.54Å; F525-F529 AromaticContact CZ-CZ 3.98Å; F525-F529 HydrophobicContact CZ-CZ 3.98Å; F525-F529 WeakPolarHBondContact O-CD2 3.13Å; N526-F529 PolarHBondContact O-N 3.3Å; M527-F529 PolarHBondContact O-N 3.36Å; F529-E531 PolarHBondContact O-N 2.78Å
530V67.2Low62.5Low20 Ų2075.5 Ų75.512%0.12145%0.453CS..SBendtrans-82.2102.3171.5178.80000107.4M527 Y565 F569M527-V530 PolarHBondContact O-N 2.93Å; V530-Y565 HydrophobicContact CG1-CE2 4.48Å; V530-Y565 WeakPolarHBondContact CG1-OH 3.37Å; V530-F569 HydrophobicContact CG2-CZ 4.26Å
531E55.8Low59.5Low179 Ų17983.4 Ų83.484%0.83649%0.49SS*.  trans-64.3137178.1-76.4176.3164.900111.9F529 P533F529-E531 PolarHBondContact O-N 2.78Å; E531-P533 WeakPolarHBondContact O-CD 3.47Å
532D50.6Low56.8Low77 Ų7786 Ų8641%0.41251%0.506SS..  trans-81.7119174.1-143.1-6.5000108.1G534 S612 L613D532-G534 PolarHBondContact O-N 3.22Å; D532-S612 PolarHBondContact OD2-OG 3.44Å; D532-L613 WeakPolarHBondContact OD1-CD2 3.43Å; D532-L613 WeakPolarHBondContact OD1-CG 3.47Å
533P47.7Very low54.1Low107 Ų10790.3 Ų90.370%0.69554%0.544SS*.THydrogen-bonded Turntrans-66.4-0.7-178.6-18.730.5000114.6E531E531-P533 WeakPolarHBondContact O-CD 3.47Å
534G45.9Very low51.3Low70 Ų7095.1 Ų95.172%0.72258%0.583SS**THydrogen-bonded Turntrans-101.67.2-171.100000116.4D532D532-G534 PolarHBondContact O-N 3.22Å
535G36.3Very low49Very low73 Ų73102.3 Ų102.375%0.75362%0.621SS**  trans-108.246.1-170.500000115.8
536A32.3Very low46.5Very low102 Ų102108.9 Ų108.984%0.84365%0.65SS**  trans-152.268.5168.200000110.3
537A39Very low44.3Very low89 Ų89115.1 Ų115.174%0.73669%0.688SS**  trans-121.379.2165.100000107.5
538D35.2Very low42.1Very low156 Ų156120.2 Ų120.283%0.83472%0.715SS**SBendtrans-171.1136.9140.3-89.5-23.2000107.1
539D31Very low40.4Very low153 Ų153121 Ų12182%0.81873%0.73SS**SBendtrans77.582.1-177.3-60.2-21.6000117.5
540I33.9Very low38.8Very low166 Ų166120.5 Ų120.585%0.85174%0.737SS**  175.890113.4-79.9152.4000106.3
541Q30.7Very low37.4Very low182 Ų182124.4 Ų124.485%0.8576%0.758SS**  trans-77.6148.4162.2-146.3160.419.200107.6
542T34.3Very low36.5Very low135 Ų135119.6 Ų119.683%0.82874%0.744SS**SBendtrans81.280.2174.159.40000118.7
543A31.8Very low36.2Very low105 Ų105119.3 Ų119.387%0.86875%0.748SS**SBendtrans173.872.7130.600000112
544A30.8Very low35.7Very low100 Ų100120.8 Ų120.883%0.82674%0.74SS**  trans-174.256.5157.700000110.9
545L37.7Very low35.4Very low159 Ų159120.5 Ų120.583%0.83273%0.726SS**  trans-78.1133.2154.7-110.7146.4000106.2
546F33.6Very low35.7Very low189 Ų189121.8 Ų121.883%0.82972%0.716SS**  trans8590.2-176.1-57.3-83.5000116.1
547V31.6Very low36.3Very low132 Ų132125.6 Ų125.680%0.871%0.71SS**SBend174.1125.2122.1161.20000110.1
548N31.7Very low36.3Very low114 Ų114126.5 Ų126.561%0.6170%0.702SS**  trans73.595.8162.9-77.1-10.2000122.2S550N548-S550 VanDerWaalsContact C-N 3.25Å; N548-S550 PolarHBondContact O-N 3.43Å
549V39.5Very low36.9Very low143 Ų143123.8 Ų123.887%0.86768%0.684SS**THydrogen-bonded Turntrans-77.28.4164.3169.60000113.7
550S37.5Very low37.7Very low79 Ų79119.5 Ų119.555%0.55266%0.661SS**THydrogen-bonded Turntrans-105.6-3.2-179.450.20000115.6N548N548-S550 VanDerWaalsContact C-N 3.25Å; N548-S550 PolarHBondContact O-N 3.43Å
551N39Very low38.4Very low103 Ų103116.8 Ų116.855%0.55164%0.643SS**SBendtrans-103.2-12.9-179.6-98.8-2.7000115R554 S555N551-R554 PolarHBondContact O-N 2.92Å; N551-S555 PolarHBondContact O-N 3.14Å
552S37.4Very low39.6Very low78 Ų78113.8 Ų113.855%0.54563%0.633SS.*Hα-helixtrans-71.4-34.8-17560.70000113.5N556S552-N556 PolarHBondContact O-ND2 3.41Å
553S42.4Very low41Very low70 Ų70110 Ų11049%0.4961%0.605SS.*Hα-helixtrans-72.1-34.3174.352.10000111.9Y557S553-Y557 WeakPolarHBondContact O-CD2 3.44Å; S553-Y557 PolarHBondContact O-N 3.22Å
554R38.1Very low42.7Very low139 Ų139109 Ų10953%0.52558%0.581SS.*Hα-helixtrans-76.4-27.1-176.1-152.9166.3172171.2-6113.3E4 N551E4-R554 IonicContact OE2-NH2 3.89Å; N551-R554 PolarHBondContact O-N 2.92Å
555S40.2Very low44.8Very low64 Ų64105.8 Ų105.845%0.44855%0.548SS..Hα-helixtrans-69.9-48.8171.3-172.40000112N551 Y557 L558 E559N551-S555 PolarHBondContact O-N 3.14Å; S555-Y557 VanDerWaalsContact C-N 3.34Å; S555-Y557 PolarHBondContact O-N 3.13Å; S555-L558 PolarHBondContact O-N 3.11Å; S555-L558 VanDerWaalsContact O-N 3.09Å; S555-E559 PolarHBondContact O-N 3.1Å
556N42.6Very low46.7Very low100 Ų10098.8 Ų98.854%0.53551%0.511SS..Hα-helixtrans-64.4-34.4-177.5-68.3-7.6000112.9S552 L558 D560S552-N556 PolarHBondContact O-ND2 3.41Å; N556-L558 VanDerWaalsContact C-N 3.35Å; N556-L558 PolarHBondContact O-N 3.05Å; N556-D560 WeakPolarHBondContact O-CB 3.47Å; N556-D560 PolarHBondContact O-N 3.44Å; N556-D560 VanDerWaalsContact O-N 3.11Å
557Y43.5Very low49Very low181 Ų18190.9 Ų90.971%0.7148%0.479SS*.Hα-helixtrans-72.9-21175.3-86.5-75.4000114.3S553 S555S553-Y557 WeakPolarHBondContact O-CD2 3.44Å; S553-Y557 PolarHBondContact O-N 3.22Å; S555-Y557 VanDerWaalsContact C-N 3.34Å; S555-Y557 PolarHBondContact O-N 3.13Å
558L40.7Very low51.5Low109 Ų10985.5 Ų85.557%0.57144%0.444SS*.Hα-helixtrans-87.7-36.1176.1-117.1111.3000111.7S555 N556S555-L558 PolarHBondContact O-N 3.11Å; S555-L558 VanDerWaalsContact O-N 3.09Å; N556-L558 VanDerWaalsContact C-N 3.35Å; N556-L558 PolarHBondContact O-N 3.05Å
559E46.7Very low54.1Low99 Ų9980.4 Ų80.446%0.46342%0.417SS..Hα-helixtrans-67.6-35.8172.2-82.3-178.3138.700112.7S555 K561 N562S555-E559 PolarHBondContact O-N 3.1Å; E559-K561 PolarHBondContact O-N 3.38Å; E559-N562 PolarHBondContact O-N 3.33Å
560D47.8Very low56.3Low62 Ų6273.9 Ų73.933%0.33238%0.377SS..Hα-helixtrans-70.9-27.6177.2-105.9-2.5000113.7N556 N562 K563N556-D560 WeakPolarHBondContact O-CB 3.47Å; N556-D560 PolarHBondContact O-N 3.44Å; N556-D560 VanDerWaalsContact O-N 3.11Å; D560-N562 VanDerWaalsContact C-N 3.26Å; D560-N562 PolarHBondContact O-N 3.47Å; D560-K563 IonicContact OD1-NZ 3.54Å; D560-K563 PolarHBondContact OD1-NZ 2.76Å
561K49Very low58.8Low109 Ų10974.6 Ų74.647%0.47437%0.368SS..THydrogen-bonded Turntrans-74.4-13.1174.9-79.1-177.8-179.9179.60113.9E559 F564E559-K561 PolarHBondContact O-N 3.38Å; K561-F564 WeakPolarHBondContact O-CD2 3.44Å
562N55.3Low61.1Low120 Ų12069.8 Ų69.864%0.64234%0.343SS*.THydrogen-bonded Turntrans-82.9-10.9177.5-89.4-12.4000113.4E559 D560 F564 Y565E559-N562 PolarHBondContact O-N 3.33Å; D560-N562 VanDerWaalsContact C-N 3.26Å; D560-N562 PolarHBondContact O-N 3.47Å; N562-F564 PolarHBondContact O-N 2.89Å; N562-Y565 WeakPolarHBondContact O-CD1 3.48Å; N562-Y565 WeakPolarHBondContact O-CE1 3.27Å
563K63.4Low63.7Low54 Ų5466.1 Ų66.124%0.23532%0.317CS..G310 helixtrans-88.5-0.5-170.5-61.4173.2-171.41590115.8D560 Y565 L566 F617D560-K563 IonicContact OD1-NZ 3.54Å; D560-K563 PolarHBondContact OD1-NZ 2.76Å; K563-Y565 PolarHBondContact O-N 2.84Å; K563-L566 PolarHBondContact O-N 3.17Å; K563-F617 HydrophobicContact CB-CD2 3.82Å; K563-F617 VanDerWaalsContact O-CD2 3.32Å; K563-F617 WeakPolarHBondContact O-CD2 3.4Å
564F69Low66Low85 Ų8563.7 Ų63.737%0.37330%0.298SS..G310 helixtrans-69.1-1.1-177.2-67.8-79.3000115.5K561 N562 F617 L621K561-F564 WeakPolarHBondContact O-CD2 3.44Å; N562-F564 PolarHBondContact O-N 2.89Å; F564-F617 AromaticContact CD1-CE2 3.88Å; F564-F617 HydrophobicContact CD1-CE2 3.88Å; F564-F617 HydrophobicContact CD1-CZ 4.29Å; F564-F617 HydrophobicContact CE1-CE2 4.36Å; F564-F617 HydrophobicContact CG-CE2 4.37Å; F564-L621 HydrophobicContact CE1-CD1 4.31Å
565Y74.5Confident68.4Low33 Ų3357.7 Ų57.713%0.12928%0.276CS..G310 helixtrans-81.5-16.7174.160.1-104.3000114.1V449 L450 V530 N562 K563 Y568 F569V449-Y565 VanDerWaalsContact CG1-CB 3.41Å; V449-Y565 WeakPolarHBondContact O-CB 3.46Å; L450-Y565 HydrophobicContact CD2-CD2 3.47Å; L450-Y565 VanDerWaalsContact CD2-CD2 3.47Å; L450-Y565 HydrophobicContact CD2-CE2 4.19Å; L450-Y565 HydrophobicContact CD2-CG 3.87Å; V530-Y565 HydrophobicContact CG1-CE2 4.48Å; V530-Y565 WeakPolarHBondContact CG1-OH 3.37Å; N562-Y565 WeakPolarHBondContact O-CD1 3.48Å; N562-Y565 WeakPolarHBondContact O-CE1 3.27Å; K563-Y565 PolarHBondContact O-N 2.84Å; Y565-Y568 WeakPolarHBondContact O-CB 3.4Å; Y565-Y568 PolarHBondContact O-N 2.89Å; Y565-Y568 VanDerWaalsContact O-N 3.1Å; Y565-F569 HydrophobicContact CD2-CD2 4.27Å; Y565-F569 AromaticContact CD2-CE2 3.62Å; Y565-F569 HydrophobicContact CD2-CE2 3.62Å; Y565-F569 HydrophobicContact CD2-CZ 4.44Å; Y565-F569 AromaticContact CE2-CE2 3.77Å; Y565-F569 HydrophobicContact CE2-CE2 3.77Å
566L77.4Confident70.8Confident12 Ų1254.6 Ų54.66%0.06326%0.255CS..Hα-helixtrans-57.3-43.6-171.1-121.963.2000115.3K563 Y568 F569 L614 F617 L636K563-L566 PolarHBondContact O-N 3.17Å; L566-Y568 PolarHBondContact O-N 3.29Å; L566-F569 PolarHBondContact O-N 3.23Å; L566-L614 HydrophobicContact CD2-CB 4.3Å; L566-L614 HydrophobicContact CD2-CD2 3.96Å; L566-L614 HydrophobicContact CD2-CG 3.74Å; L566-L614 HydrophobicContact CG-CD2 4.4Å; L566-L614 HydrophobicContact CG-CG 4.38Å; L566-F617 HydrophobicContact CD2-CB 3.86Å; L566-F617 HydrophobicContact CD2-CG 4.41Å; L566-L636 HydrophobicContact CB-CD2 4.28Å
567P82.1Confident73.1Confident23 Ų2349.9 Ų49.915%0.14923%0.23CC..Hα-helixtrans-61.4-27.5177.4-24.234.1000113.9F569 I570 Y571 F617 L636P567-F569 PolarHBondContact O-N 2.85Å; P567-I570 WeakPolarHBondContact O-CB 3.43Å; P567-I570 PolarHBondContact O-N 3.02Å; P567-Y571 HydrophobicContact CB-CE2 4.36Å; P567-Y571 PolarHBondContact O-N 2.79Å; P567-F617 HydrophobicContact CG-CE1 4.3Å; P567-F617 HydrophobicContact CG-CZ 4.28Å; P567-L636 HydrophobicContact CB-CD1 4.41Å; P567-L636 HydrophobicContact CG-CD1 4.31Å; P567-L636 HydrophobicContact CG-CD2 3.87Å
568Y84.6Confident75.3Confident18 Ų1842.7 Ų42.77%0.07121%0.205CC..Hα-helixtrans-70-21.3-178.8-67.3-95.1000112.7Q19 A22 N23 I26 V445 V449 Y565 L566 Y571 C572Q19-Y568 WeakPolarHBondContact CB-OH 3.25Å; Q19-Y568 HydrophobicContact CG-CE2 4.38Å; Q19-Y568 PolarHBondContact O-OH 2.95Å; A22-Y568 HydrophobicContact CB-CD1 4.18Å; A22-Y568 HydrophobicContact CB-CE1 3.67Å; N23-Y568 VanDerWaalsContact CG-OH 3.31Å; N23-Y568 PolarHBondContact ND2-OH 3.23Å; N23-Y568 WeakPolarHBondContact OD1-CE1 3.39Å; N23-Y568 PolarHBondContact OD1-OH 3.21Å; I26-Y568 HydrophobicContact CD1-CD1 3.74Å; I26-Y568 HydrophobicContact CD1-CE1 4.06Å; V445-Y568 HydrophobicContact CG1-CD1 4.12Å; V449-Y568 HydrophobicContact CB-CG 4.49Å; V449-Y568 HydrophobicContact CG1-CD2 3.65Å; V449-Y568 HydrophobicContact CG1-CE2 4.09Å; V449-Y568 HydrophobicContact CG1-CG 3.88Å; V449-Y568 HydrophobicContact CG2-CD1 4.17Å; V449-Y568 HydrophobicContact CG2-CE1 4.27Å; V449-Y568 HydrophobicContact CG2-CG 4.33Å; Y565-Y568 WeakPolarHBondContact O-CB 3.4Å; Y565-Y568 PolarHBondContact O-N 2.89Å; Y565-Y568 VanDerWaalsContact O-N 3.1Å; L566-Y568 PolarHBondContact O-N 3.29Å; Y568-Y571 HydrophobicContact CD1-CD2 4.15Å; Y568-Y571 HydrophobicContact CG-CD2 4.4Å; Y568-Y571 PolarHBondContact O-N 2.89Å; Y568-C572 PolarHBondContact O-N 3.42Å; Y568-C572 PolarHBondContact O-SG 3.41Å
569F84.7Confident77.6Confident7 Ų737.5 Ų37.53%0.03118%0.177CC..Hα-helixtrans-66.5-41170.6-74.6-61.8000112.3L450 N526 M527 V530 Y565 L566 P567 Y571 C572 C573L450-F569 HydrophobicContact CD1-CD1 4.36Å; L450-F569 HydrophobicContact CD1-CE1 3.55Å; L450-F569 HydrophobicContact CD1-CZ 3.83Å; L450-F569 HydrophobicContact CD2-CD2 4.37Å; L450-F569 HydrophobicContact CD2-CE1 3.75Å; L450-F569 HydrophobicContact CD2-CE2 3.51Å; L450-F569 HydrophobicContact CD2-CZ 3.15Å; L450-F569 HydrophobicContact CG-CE1 4.34Å; L450-F569 HydrophobicContact CG-CZ 4.16Å; N526-F569 HydrophobicContact CB-CE1 4.27Å; M527-F569 HydrophobicContact CB-CE1 4.36Å; M527-F569 HydrophobicContact CE-CB 3.93Å; M527-F569 HydrophobicContact CE-CD1 4.47Å; M527-F569 HydrophobicContact CE-CD2 3.98Å; M527-F569 HydrophobicContact CE-CG 3.91Å; M527-F569 HydrophobicContact CG-CB 4.35Å; M527-F569 HydrophobicContact CG-CD1 3.26Å; M527-F569 HydrophobicContact CG-CD2 4.1Å; M527-F569 HydrophobicContact CG-CE1 3.28Å; M527-F569 HydrophobicContact CG-CE2 4.09Å; M527-F569 HydrophobicContact CG-CG 3.68Å; M527-F569 HydrophobicContact CG-CZ 3.68Å; M527-F569 HydrophobicContact SD-CB 3.79Å; M527-F569 HydrophobicContact SD-CD1 3.82Å; M527-F569 HydrophobicContact SD-CD2 4.39Å; M527-F569 HydrophobicContact SD-CE1 4.42Å; M527-F569 HydrophobicContact SD-CG 3.79Å; V530-F569 HydrophobicContact CG2-CZ 4.26Å; Y565-F569 HydrophobicContact CD2-CD2 4.27Å; Y565-F569 AromaticContact CD2-CE2 3.62Å; Y565-F569 HydrophobicContact CD2-CE2 3.62Å; Y565-F569 HydrophobicContact CD2-CZ 4.44Å; Y565-F569 AromaticContact CE2-CE2 3.77Å; Y565-F569 HydrophobicContact CE2-CE2 3.77Å; L566-F569 PolarHBondContact O-N 3.23Å; P567-F569 PolarHBondContact O-N 2.85Å; F569-Y571 VanDerWaalsContact C-N 3.3Å; F569-Y571 PolarHBondContact O-N 3.18Å; F569-C572 PolarHBondContact O-N 2.82Å; F569-C573 PolarHBondContact O-N 3.47Å; F569-C573 PolarHBondContact O-SG 2.93Å
570I86.9Confident79.6Confident7 Ų733 Ų334%0.03616%0.157CC..Hα-helixtrans-63.2-41.8175.8-62161.9000109.5P567 C573 I574 I606 L636P567-I570 WeakPolarHBondContact O-CB 3.43Å; P567-I570 PolarHBondContact O-N 3.02Å; I570-C573 WeakPolarHBondContact O-CB 3.14Å; I570-C573 PolarHBondContact O-N 2.98Å; I570-I574 HydrophobicContact CG2-CD1 4.12Å; I570-I574 WeakPolarHBondContact O-CG1 3.01Å; I570-I574 PolarHBondContact O-N 3.08Å; I570-I606 HydrophobicContact CG1-CD1 4.18Å; I570-L636 HydrophobicContact CD1-CD1 3.82Å; I570-L636 HydrophobicContact CD1-CG 4.15Å
571Y88.6Confident81.3Confident94 Ų9430.7 Ų30.737%0.36915%0.146SC..Hα-helixtrans-64.4-40.4175.9-57.3-32.6000113I26 P567 Y568 F569 C573 I574 L575I26-Y571 HydrophobicContact CD1-CD2 3.86Å; I26-Y571 HydrophobicContact CD1-CG 4.26Å; P567-Y571 HydrophobicContact CB-CE2 4.36Å; P567-Y571 PolarHBondContact O-N 2.79Å; Y568-Y571 HydrophobicContact CD1-CD2 4.15Å; Y568-Y571 HydrophobicContact CG-CD2 4.4Å; Y568-Y571 PolarHBondContact O-N 2.89Å; F569-Y571 VanDerWaalsContact C-N 3.3Å; F569-Y571 PolarHBondContact O-N 3.18Å; Y571-C573 VanDerWaalsContact C-N 3.35Å; Y571-I574 PolarHBondContact O-N 3.37Å; Y571-L575 WeakPolarHBondContact O-CG 3.14Å; Y571-L575 PolarHBondContact O-N 2.92Å
572C89.2Confident83.1Confident1 Ų125.8 Ų25.81%0.00713%0.125CC..Hα-helixtrans-62.7-39.5173.2-73.20000112.2I442 Y568 F569 L575 G576I442-C572 HydrophobicContact CG2-CB 4.4Å; Y568-C572 PolarHBondContact O-N 3.42Å; Y568-C572 PolarHBondContact O-SG 3.41Å; F569-C572 PolarHBondContact O-N 2.82Å; C572-L575 PolarHBondContact O-N 2.9Å; C572-G576 PolarHBondContact O-N 3.22Å
573C90.2Very high84.5Confident1 Ų120.2 Ų20.21%0.00710%0.095CC..Hα-helixtrans-63.2-43174.6-66.20000111.8V524 F569 I570 Y571 G576 L577 Y602 L644V524-C573 WeakPolarHBondContact CG1-SG 3.45Å; F569-C573 PolarHBondContact O-N 3.47Å; F569-C573 PolarHBondContact O-SG 2.93Å; I570-C573 WeakPolarHBondContact O-CB 3.14Å; I570-C573 PolarHBondContact O-N 2.98Å; Y571-C573 VanDerWaalsContact C-N 3.35Å; C573-G576 PolarHBondContact O-N 3.03Å; C573-L577 WeakPolarHBondContact O-CG 3.12Å; C573-L577 PolarHBondContact O-N 2.89Å; C573-Y602 HydrophobicContact CB-CD2 3.71Å; C573-Y602 HydrophobicContact CB-CE2 3.83Å; C573-Y602 HydrophobicContact CB-CG 4.23Å; C573-L644 HydrophobicContact CB-CD2 3.79Å
574I90.9Very high85.1Confident20 Ų2017.7 Ų17.710%0.1038%0.084CC..Hα-helixtrans-62.7-46.3175.8-66.7166.7000110.6I570 Y571 G576 L577 V578 L644 F647I570-I574 HydrophobicContact CG2-CD1 4.12Å; I570-I574 WeakPolarHBondContact O-CG1 3.01Å; I570-I574 PolarHBondContact O-N 3.08Å; Y571-I574 PolarHBondContact O-N 3.37Å; I574-G576 VanDerWaalsContact C-N 3.28Å; I574-G576 PolarHBondContact O-N 2.77Å; I574-L577 PolarHBondContact O-N 3.06Å; I574-L577 VanDerWaalsContact O-N 3.16Å; I574-V578 WeakPolarHBondContact O-CG2 3.06Å; I574-V578 PolarHBondContact O-N 3.3Å; I574-L644 HydrophobicContact CG1-CD2 3.75Å; I574-F647 HydrophobicContact CD1-CD2 4Å; I574-F647 HydrophobicContact CD1-CE2 4.12Å; I574-F647 HydrophobicContact CG1-CD2 4.27Å; I574-F647 HydrophobicContact CG2-CD1 3.87Å; I574-F647 HydrophobicContact CG2-CD2 4.06Å; I574-F647 HydrophobicContact CG2-CE1 4.01Å; I574-F647 HydrophobicContact CG2-CE2 4.2Å; I574-F647 HydrophobicContact CG2-CG 3.9Å; I574-F647 HydrophobicContact CG2-CZ 4.17Å
575L90.2Very high85.4Confident12 Ų1217 Ų176%0.0638%0.079CC..Hα-helixtrans-61.1-37.3175.2-72.7174.3000112I26 I438 I442 Y571 C572 V578 S579I26-L575 HydrophobicContact CG1-CD1 4.38Å; I438-L575 HydrophobicContact CG2-CB 4.31Å; I438-L575 WeakPolarHBondContact CG2-O 3.25Å; I442-L575 HydrophobicContact CD1-CB 4.14Å; I442-L575 HydrophobicContact CG1-CB 4.04Å; I442-L575 HydrophobicContact CG1-CD1 4.34Å; Y571-L575 WeakPolarHBondContact O-CG 3.14Å; Y571-L575 PolarHBondContact O-N 2.92Å; C572-L575 PolarHBondContact O-N 2.9Å; L575-V578 PolarHBondContact O-N 2.95Å; L575-S579 PolarHBondContact O-N 3.46Å; L575-S579 VanDerWaalsContact O-N 3.09Å
576G90Very high85.6Confident0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-57.9-48171.600000112.3L520 C572 C573 I574 V578 S579L520-G576 WeakPolarHBondContact CD2-O 3.47Å; C572-G576 PolarHBondContact O-N 3.22Å; C573-G576 PolarHBondContact O-N 3.03Å; I574-G576 VanDerWaalsContact C-N 3.28Å; I574-G576 PolarHBondContact O-N 2.77Å; G576-V578 PolarHBondContact O-N 3.5Å; G576-S579 WeakPolarHBondContact O-CB 3.3Å; G576-S579 PolarHBondContact O-N 3.37Å; G576-S579 PolarHBondContact O-OG 3.44Å
577L90.9Very high85.8Confident0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-64.8-38.2176.3-65.5174.5000112.6L520 C573 I574 S579 C580 A598 V599 Y602 L644 L651L520-L577 HydrophobicContact CD2-CD2 4.32Å; C573-L577 WeakPolarHBondContact O-CG 3.12Å; C573-L577 PolarHBondContact O-N 2.89Å; I574-L577 PolarHBondContact O-N 3.06Å; I574-L577 VanDerWaalsContact O-N 3.16Å; L577-S579 PolarHBondContact O-N 3.27Å; L577-C580 WeakPolarHBondContact O-CB 3.25Å; L577-C580 PolarHBondContact O-N 2.95Å; L577-A598 HydrophobicContact CD2-CB 3.88Å; L577-V599 HydrophobicContact CD1-CG2 3.73Å; L577-V599 HydrophobicContact CD2-CG2 3.83Å; L577-V599 HydrophobicContact CG-CG2 4.45Å; L577-Y602 HydrophobicContact CD2-CE2 4.19Å; L577-Y602 HydrophobicContact CG-CE2 4.17Å; L577-L644 HydrophobicContact CD1-CD2 3.91Å; L577-L651 HydrophobicContact CB-CD1 3.97Å
578V90.3Very high86Confident30 Ų3017.4 Ų17.418%0.1828%0.081CC..Hα-helixtrans-60.7-35.4175.6171.30000111I438 I574 L575 G576 C580 S581 L651I438-V578 HydrophobicContact CD1-CG1 4.37Å; I574-V578 WeakPolarHBondContact O-CG2 3.06Å; I574-V578 PolarHBondContact O-N 3.3Å; L575-V578 PolarHBondContact O-N 2.95Å; G576-V578 PolarHBondContact O-N 3.5Å; V578-C580 PolarHBondContact O-N 3.45Å; V578-S581 WeakPolarHBondContact O-CB 3.37Å; V578-S581 PolarHBondContact O-N 3.4Å; V578-S581 PolarHBondContact O-OG 2.94Å; V578-L651 HydrophobicContact CG2-CD1 4.23Å
579S88.8Confident86Confident0 Ų019.3 Ų19.30%09%0.091CC..Hα-helixtrans-58.7-31.3177.482.20000113.5I519 L575 G576 L577 S581 V582I519-S579 WeakPolarHBondContact CG2-OG 3.34Å; L575-S579 PolarHBondContact O-N 3.46Å; L575-S579 VanDerWaalsContact O-N 3.09Å; G576-S579 WeakPolarHBondContact O-CB 3.3Å; G576-S579 PolarHBondContact O-N 3.37Å; G576-S579 PolarHBondContact O-OG 3.44Å; L577-S579 PolarHBondContact O-N 3.27Å; S579-S581 VanDerWaalsContact C-N 3.29Å; S579-S581 PolarHBondContact O-N 2.93Å; S579-V582 PolarHBondContact O-N 3.21Å
580C87.1Confident86.1Confident4 Ų421.4 Ų21.43%0.02710%0.102CC..Hα-helixtrans-68-27.7176.3-600000112.8L577 V578 M595L577-C580 WeakPolarHBondContact O-CB 3.25Å; L577-C580 PolarHBondContact O-N 2.95Å; V578-C580 PolarHBondContact O-N 3.45Å; C580-M595 HydrophobicContact CB-CG 3.99Å; C580-M595 HydrophobicContact CB-SD 4.34Å
581S84.6Confident86.1Confident14 Ų1421.6 Ų21.610%0.09810%0.102CC..Hα-helixtrans-80.2-17.1-178740000114H37 V578 S579 F583H37-S581 PolarHBondContact CE1-O 3.33Å; V578-S581 WeakPolarHBondContact O-CB 3.37Å; V578-S581 PolarHBondContact O-N 3.4Å; V578-S581 PolarHBondContact O-OG 2.94Å; S579-S581 VanDerWaalsContact C-N 3.29Å; S579-S581 PolarHBondContact O-N 2.93Å; S581-F583 VanDerWaalsContact C-N 3.27Å; S581-F583 PolarHBondContact O-N 3.05Å
582V86.1Confident86.2Confident7 Ų719.6 Ų19.64%0.04210%0.097CC..SBendtrans-64.1-32.7-178.3175.10000111.9Y431 C434 I438 S579 L584Y431-V582 VanDerWaalsContact CD1-O 3.22Å; Y431-V582 WeakPolarHBondContact CD1-O 3.45Å; Y431-V582 WeakPolarHBondContact O-CG1 3.42Å; C434-V582 HydrophobicContact CB-CG1 3.75Å; I438-V582 HydrophobicContact CD1-CG2 3.81Å; S579-V582 PolarHBondContact O-N 3.21Å; V582-L584 PolarHBondContact O-N 3.47Å
583F86.1Confident86.3Confident3 Ų323.4 Ų23.41%0.01312%0.12CC..  trans-83.196.2-176.9-64-80.7000111.6F428 Y431 V432 A435 T512 T516 S581 R585 I586 K591F428-F583 HydrophobicContact CE2-CD1 4.32Å; F428-F583 HydrophobicContact CE2-CE1 4.38Å; Y431-F583 HydrophobicContact CG-CD1 4.47Å; V432-F583 HydrophobicContact CG2-CE1 4.02Å; A435-F583 HydrophobicContact CB-CE2 4.08Å; A435-F583 HydrophobicContact CB-CZ 3.93Å; T512-F583 HydrophobicContact CG2-CB 3.98Å; T512-F583 HydrophobicContact CG2-CD1 3.34Å; T512-F583 HydrophobicContact CG2-CD2 3.62Å; T512-F583 HydrophobicContact CG2-CE1 3.59Å; T512-F583 HydrophobicContact CG2-CE2 3.86Å; T512-F583 HydrophobicContact CG2-CG 3.35Å; T512-F583 HydrophobicContact CG2-CZ 3.83Å; T516-F583 HydrophobicContact CG2-CD2 3.79Å; T516-F583 HydrophobicContact CG2-CE2 3.49Å; T516-F583 VanDerWaalsContact CG2-CE2 3.49Å; S581-F583 VanDerWaalsContact C-N 3.27Å; S581-F583 PolarHBondContact O-N 3.05Å; F583-R585 PolarHBondContact O-N 3Å; F583-I586 HydrophobicContact CB-CD1 3.49Å; F583-I586 VanDerWaalsContact CB-CD1 3.49Å; F583-I586 HydrophobicContact CB-CG1 3.79Å; F583-I586 HydrophobicContact CD2-CD1 4.5Å; F583-I586 HydrophobicContact CG-CD1 4.08Å; F583-K591 WeakPolarHBondContact O-CE 3.39Å; F583-K591 PolarHBondContact O-NZ 2.79Å
584L76.1Confident86.3Confident0 Ų024.6 Ų24.60%013%0.127CC..THydrogen-bonded Turntrans-67.9-41.1-168.3-74.3156.2000114.6H37 L40 M41 Y431 V582 K591 N658H37-L584 WeakPolarHBondContact CE1-CD2 3.2Å; L40-L584 HydrophobicContact CB-CD1 4.35Å; M41-L584 HydrophobicContact CE-CB 4.14Å; M41-L584 HydrophobicContact CE-CD1 3.14Å; M41-L584 HydrophobicContact CE-CD2 3.64Å; M41-L584 HydrophobicContact CE-CG 3.77Å; M41-L584 HydrophobicContact CG-CD1 4.1Å; M41-L584 HydrophobicContact CG-CD2 4.19Å; M41-L584 HydrophobicContact SD-CD1 3.9Å; M41-L584 HydrophobicContact SD-CD2 3.44Å; M41-L584 WeakPolarHBondContact SD-CD2 3.32Å; M41-L584 HydrophobicContact SD-CG 4.22Å; Y431-L584 HydrophobicContact CD1-CD1 4.37Å; Y431-L584 HydrophobicContact CE1-CB 4.2Å; Y431-L584 HydrophobicContact CE1-CD1 3.44Å; Y431-L584 VanDerWaalsContact CE1-CD1 3.44Å; Y431-L584 HydrophobicContact CE1-CG 4.1Å; V582-L584 PolarHBondContact O-N 3.47Å; L584-K591 PolarHBondContact O-NZ 3.12Å; L584-N658 HydrophobicContact CD2-CB 4Å; L584-N658 WeakPolarHBondContact CD2-ND2 3.17Å
585R73.9Confident86.3Confident70 Ų7023.7 Ų23.726%0.26412%0.123SC..THydrogen-bonded Turntrans-100.733.7-173.6-58.1-157.6-173.3176.6-9.3115.8L425 F583L425-R585 VanDerWaalsContact CD1-CD 3.41Å; L425-R585 HydrophobicContact CD1-CG 4.05Å; L425-R585 HydrophobicContact CD2-CB 3.92Å; L425-R585 HydrophobicContact CD2-CG 4.21Å; F583-R585 PolarHBondContact O-N 3Å
586I79.6Confident86.4Confident17 Ų1727.2 Ų27.29%0.08714%0.141CC..SBendtrans-94.1139.6164.6-47.6172.4000108.4L509 T512 F583 Y588 L590 K591L509-I586 HydrophobicContact CD1-CG2 4.28Å; T512-I586 HydrophobicContact CG2-CD1 3.18Å; T512-I586 HydrophobicContact CG2-CG1 3.98Å; F583-I586 HydrophobicContact CB-CD1 3.49Å; F583-I586 VanDerWaalsContact CB-CD1 3.49Å; F583-I586 HydrophobicContact CB-CG1 3.79Å; F583-I586 HydrophobicContact CD2-CD1 4.5Å; F583-I586 HydrophobicContact CG-CD1 4.08Å; I586-Y588 PolarHBondContact O-N 3.27Å; I586-L590 HydrophobicContact CG2-CB 4.35Å; I586-L590 HydrophobicContact CG2-CD2 4.04Å; I586-K591 HydrophobicContact CB-CD 4.34Å; I586-K591 HydrophobicContact CB-CG 4.26Å; I586-K591 HydrophobicContact CD1-CG 4.47Å; I586-K591 HydrophobicContact CG2-CG 4.36Å; I586-K591 PolarHBondContact O-NZ 2.93Å
587N82.1Confident86.6Confident44 Ų4430.9 Ų30.924%0.23516%0.163CC..  trans-41.8126.4168.9-68.1-7.5000111.6E589 L590 K591N587-E589 VanDerWaalsContact C-N 3.29Å; N587-E589 PolarHBondContact O-N 3.11Å; N587-L590 PolarHBondContact O-N 2.95Å; N587-K591 PolarHBondContact O-N 3.47Å
588Y85.3Confident86.6Confident17 Ų1731.3 Ų31.37%0.06717%0.167CC..Hα-helixtrans-56.5-40.7178.7165.5-102.2000112.8I586 L590 K591 M592 L652 A655 R656I586-Y588 PolarHBondContact O-N 3.27Å; Y588-L590 VanDerWaalsContact C-N 3.32Å; Y588-L590 PolarHBondContact O-N 3.28Å; Y588-K591 WeakPolarHBondContact O-CB 3.19Å; Y588-K591 PolarHBondContact O-N 3.09Å; Y588-M592 HydrophobicContact CD1-CE 4.15Å; Y588-M592 HydrophobicContact CE1-CE 3.29Å; Y588-M592 WeakPolarHBondContact O-CB 3.44Å; Y588-M592 PolarHBondContact O-N 2.72Å; Y588-L652 HydrophobicContact CE2-CD1 3.71Å; Y588-L652 HydrophobicContact CE2-CG 3.93Å; Y588-L652 WeakPolarHBondContact CE2-O 3.47Å; Y588-L652 WeakPolarHBondContact OH-CD1 3.2Å; Y588-L652 VanDerWaalsContact OH-CG 3.32Å; Y588-L652 WeakPolarHBondContact OH-CG 2.94Å; Y588-A655 HydrophobicContact CD2-CB 3.98Å; Y588-A655 HydrophobicContact CE2-CB 4.38Å; Y588-R656 HydrophobicContact CD2-CB 4Å; Y588-R656 HydrophobicContact CE2-CB 3.71Å; Y588-R656 HydrophobicContact CE2-CG 4.47Å
589E85.4Confident86.7Confident58 Ų5830.2 Ų30.227%0.27116%0.16SC..Hα-helixtrans-56.3-44.5178.3-63.8-65.8172.400112.3S408 F410 N587 M592 V593S408-E589 VanDerWaalsContact CA-OE1 3.3Å; S408-E589 WeakPolarHBondContact CA-OE1 3.47Å; S408-E589 WeakPolarHBondContact CB-OE1 3.33Å; S408-E589 PolarHBondContact OG-OE1 3.03Å; F410-E589 HydrophobicContact CE2-CG 4.45Å; N587-E589 VanDerWaalsContact C-N 3.29Å; N587-E589 PolarHBondContact O-N 3.11Å; E589-M592 WeakPolarHBondContact O-CB 3.37Å; E589-M592 PolarHBondContact O-N 3.33Å; E589-V593 WeakPolarHBondContact O-CG2 3.21Å; E589-V593 PolarHBondContact O-N 3.47Å
590L85.8Confident86.9Confident50 Ų5033.6 Ų33.626%0.26218%0.181SC..Hα-helixtrans-68.2-40.8-179.7-173.264.5000111.3L509 M513 I586 N587 Y588 M592 V593 V594L509-L590 HydrophobicContact CD1-CD2 3.49Å; L509-L590 VanDerWaalsContact CD1-CD2 3.49Å; L509-L590 HydrophobicContact CG-CD2 4.31Å; M513-L590 HydrophobicContact CE-CD1 3.9Å; M513-L590 HydrophobicContact CE-CD2 4.2Å; M513-L590 HydrophobicContact CE-CG 4.05Å; M513-L590 HydrophobicContact CG-CD2 4.15Å; M513-L590 HydrophobicContact SD-CD1 4.25Å; M513-L590 HydrophobicContact SD-CD2 3.46Å; M513-L590 WeakPolarHBondContact SD-CD2 3.47Å; M513-L590 HydrophobicContact SD-CG 3.76Å; I586-L590 HydrophobicContact CG2-CB 4.35Å; I586-L590 HydrophobicContact CG2-CD2 4.04Å; N587-L590 PolarHBondContact O-N 2.95Å; Y588-L590 VanDerWaalsContact C-N 3.32Å; Y588-L590 PolarHBondContact O-N 3.28Å; L590-M592 VanDerWaalsContact C-N 3.35Å; L590-V593 PolarHBondContact O-N 3.3Å; L590-V594 VanDerWaalsContact O-CG2 3.28Å; L590-V594 WeakPolarHBondContact O-CG2 3.45Å; L590-V594 PolarHBondContact O-N 3.4Å
591K88Confident87.2Confident11 Ų1137.3 Ų37.35%0.04820%0.199CC..Hα-helixtrans-62-43.1173.9-76.2170.3169.3148.50111.6F583 L584 I586 N587 Y588 V593 V594 M595 A655F583-K591 WeakPolarHBondContact O-CE 3.39Å; F583-K591 PolarHBondContact O-NZ 2.79Å; L584-K591 PolarHBondContact O-NZ 3.12Å; I586-K591 HydrophobicContact CB-CD 4.34Å; I586-K591 HydrophobicContact CB-CG 4.26Å; I586-K591 HydrophobicContact CD1-CG 4.47Å; I586-K591 HydrophobicContact CG2-CG 4.36Å; I586-K591 PolarHBondContact O-NZ 2.93Å; N587-K591 PolarHBondContact O-N 3.47Å; Y588-K591 WeakPolarHBondContact O-CB 3.19Å; Y588-K591 PolarHBondContact O-N 3.09Å; K591-V593 PolarHBondContact O-N 3.04Å; K591-V594 PolarHBondContact O-N 3.01Å; K591-M595 VanDerWaalsContact O-CB 3.24Å; K591-M595 WeakPolarHBondContact O-CB 3.32Å; K591-M595 WeakPolarHBondContact O-CG 3.28Å; K591-M595 PolarHBondContact O-N 3.39Å; K591-A655 HydrophobicContact CD-CB 4.2Å
592M90.1Very high87.5Confident52 Ų5236.9 Ų36.926%0.25620%0.195SC..Hα-helixtrans-57.6-50.3177-178.2-157.7-50.400110.2Y588 E589 L590 M595 L596 L652Y588-M592 HydrophobicContact CD1-CE 4.15Å; Y588-M592 HydrophobicContact CE1-CE 3.29Å; Y588-M592 WeakPolarHBondContact O-CB 3.44Å; Y588-M592 PolarHBondContact O-N 2.72Å; E589-M592 WeakPolarHBondContact O-CB 3.37Å; E589-M592 PolarHBondContact O-N 3.33Å; L590-M592 VanDerWaalsContact C-N 3.35Å; M592-M595 PolarHBondContact O-N 3.38Å; M592-L596 WeakPolarHBondContact O-CB 3.25Å; M592-L596 PolarHBondContact O-N 2.86Å; M592-L652 HydrophobicContact CB-CD1 3.99Å; M592-L652 HydrophobicContact CG-CD1 3.74Å
593V91.3Very high87.6Confident81 Ų8137.8 Ų37.849%0.49120%0.2SC..Hα-helixtrans-60.9-48179.8173.20000111.3E589 L590 K591 M595 L596 V597E589-V593 WeakPolarHBondContact O-CG2 3.21Å; E589-V593 PolarHBondContact O-N 3.47Å; L590-V593 PolarHBondContact O-N 3.3Å; K591-V593 PolarHBondContact O-N 3.04Å; V593-M595 PolarHBondContact O-N 3.34Å; V593-L596 PolarHBondContact O-N 3.45Å; V593-V597 HydrophobicContact CG1-CG2 4.46Å; V593-V597 WeakPolarHBondContact O-CB 3.31Å; V593-V597 VanDerWaalsContact O-CG2 3.28Å; V593-V597 WeakPolarHBondContact O-CG2 3.46Å; V593-V597 PolarHBondContact O-N 3.37Å
594V90.4Very high87.8Confident26 Ų2641.5 Ų41.516%0.15822%0.219CC..Hα-helixtrans-61.9-46179.5172.50000111.6M513 L520 L590 K591 V597 A598M513-V594 HydrophobicContact CE-CG2 3.32Å; M513-V594 HydrophobicContact SD-CG2 4.11Å; L520-V594 HydrophobicContact CD1-CG1 3.8Å; L590-V594 VanDerWaalsContact O-CG2 3.28Å; L590-V594 WeakPolarHBondContact O-CG2 3.45Å; L590-V594 PolarHBondContact O-N 3.4Å; K591-V594 PolarHBondContact O-N 3.01Å; V594-V597 PolarHBondContact O-N 3.14Å; V594-A598 WeakPolarHBondContact O-CB 3.4Å; V594-A598 PolarHBondContact O-N 3.15Å
595M89.9Confident88.2Confident2 Ų241.9 Ų41.91%0.0122%0.221CC..Hα-helixtrans-67.1-38.4179.2-73-179.368.700112.1C580 K591 M592 V593 A598 V599 F648 L651C580-M595 HydrophobicContact CB-CG 3.99Å; C580-M595 HydrophobicContact CB-SD 4.34Å; K591-M595 VanDerWaalsContact O-CB 3.24Å; K591-M595 WeakPolarHBondContact O-CB 3.32Å; K591-M595 WeakPolarHBondContact O-CG 3.28Å; K591-M595 PolarHBondContact O-N 3.39Å; M592-M595 PolarHBondContact O-N 3.38Å; V593-M595 PolarHBondContact O-N 3.34Å; M595-A598 PolarHBondContact O-N 3.47Å; M595-V599 WeakPolarHBondContact O-CB 3.34Å; M595-V599 WeakPolarHBondContact O-CG2 3.36Å; M595-V599 PolarHBondContact O-N 3.41Å; M595-F648 HydrophobicContact CB-CD2 4.01Å; M595-F648 HydrophobicContact CB-CE2 3.82Å; M595-F648 HydrophobicContact CE-CD2 4.16Å; M595-L651 HydrophobicContact CE-CB 3.32Å; M595-L651 HydrophobicContact CE-CD1 3.89Å; M595-L651 HydrophobicContact CE-CG 4.26Å; M595-L651 HydrophobicContact SD-CB 4.48Å
596L93.2Very high88.7Confident85 Ų8538.7 Ų38.745%0.44521%0.21SC..Hα-helixtrans-63.8-48.6176.5-178.967.7000110.8M592 V593 A598 V599 V600 F648M592-L596 WeakPolarHBondContact O-CB 3.25Å; M592-L596 PolarHBondContact O-N 2.86Å; V593-L596 PolarHBondContact O-N 3.45Å; L596-A598 VanDerWaalsContact C-N 3.33Å; L596-A598 PolarHBondContact O-N 3Å; L596-V599 PolarHBondContact O-N 2.94Å; L596-V600 HydrophobicContact CD1-CG2 4.43Å; L596-V600 WeakPolarHBondContact O-CB 3.32Å; L596-V600 VanDerWaalsContact O-CG2 3.27Å; L596-V600 WeakPolarHBondContact O-CG2 3.4Å; L596-V600 PolarHBondContact O-N 3.29Å; L596-F648 HydrophobicContact CB-CE2 4.42Å; L596-F648 HydrophobicContact CB-CZ 4.4Å; L596-F648 HydrophobicContact CD1-CZ 4.13Å
597V93.5Very high88.9Confident77 Ų7741.6 Ų41.647%0.46723%0.225SC..Hα-helixtrans-59-45.7176.8170.40000110.6V593 V594 V600 I601V593-V597 HydrophobicContact CG1-CG2 4.46Å; V593-V597 WeakPolarHBondContact O-CB 3.31Å; V593-V597 VanDerWaalsContact O-CG2 3.28Å; V593-V597 WeakPolarHBondContact O-CG2 3.46Å; V593-V597 PolarHBondContact O-N 3.37Å; V594-V597 PolarHBondContact O-N 3.14Å; V597-V600 PolarHBondContact O-N 3.35Å; V597-I601 HydrophobicContact CG1-CD1 3.66Å; V597-I601 HydrophobicContact CG1-CG1 4.44Å; V597-I601 WeakPolarHBondContact O-CB 3.41Å; V597-I601 VanDerWaalsContact O-CG1 3.25Å; V597-I601 WeakPolarHBondContact O-CG1 3.46Å; V597-I601 PolarHBondContact O-N 3.33Å
598A91.5Very high88.9Confident9 Ų946.6 Ų46.67%0.07425%0.247CC..Hα-helixtrans-61-4717800000112.4L520 L577 V594 M595 L596 V600 I601 Y602L520-A598 HydrophobicContact CD1-CB 3.98Å; L520-A598 HydrophobicContact CD2-CB 4.02Å; L577-A598 HydrophobicContact CD2-CB 3.88Å; V594-A598 WeakPolarHBondContact O-CB 3.4Å; V594-A598 PolarHBondContact O-N 3.15Å; M595-A598 PolarHBondContact O-N 3.47Å; L596-A598 VanDerWaalsContact C-N 3.33Å; L596-A598 PolarHBondContact O-N 3Å; A598-V600 PolarHBondContact O-N 3.24Å; A598-I601 PolarHBondContact O-N 2.87Å; A598-Y602 HydrophobicContact CB-CE2 4.38Å; A598-Y602 WeakPolarHBondContact O-CB 3.4Å; A598-Y602 WeakPolarHBondContact O-CD1 3.41Å; A598-Y602 WeakPolarHBondContact O-CD2 3.49Å; A598-Y602 PolarHBondContact O-N 2.67Å
599V92.6Very high88.5Confident8 Ų849.2 Ų49.25%0.04827%0.265CS..Hα-helixtrans-64.6-41.3179.5171.20000111.3L577 M595 L596 Y602 N603 F648L577-V599 HydrophobicContact CD1-CG2 3.73Å; L577-V599 HydrophobicContact CD2-CG2 3.83Å; L577-V599 HydrophobicContact CG-CG2 4.45Å; M595-V599 WeakPolarHBondContact O-CB 3.34Å; M595-V599 WeakPolarHBondContact O-CG2 3.36Å; M595-V599 PolarHBondContact O-N 3.41Å; L596-V599 PolarHBondContact O-N 2.94Å; V599-Y602 PolarHBondContact O-N 2.8Å; V599-N603 WeakPolarHBondContact CG1-ND2 3.18Å; V599-N603 WeakPolarHBondContact O-CB 3.27Å; V599-N603 PolarHBondContact O-N 3.38Å; V599-N603 PolarHBondContact O-ND2 3.5Å; V599-F648 HydrophobicContact CG2-CB 3.81Å; V599-F648 HydrophobicContact CG2-CD2 3.74Å; V599-F648 HydrophobicContact CG2-CG 3.94Å
600V93.3Very high88.1Confident71 Ų7147.5 Ų47.543%0.4326%0.256SS..Hα-helixtrans-62.1-48.6176.2170.30000110.4L596 V597 A598 Y602 N603 I604L596-V600 HydrophobicContact CD1-CG2 4.43Å; L596-V600 WeakPolarHBondContact O-CB 3.32Å; L596-V600 VanDerWaalsContact O-CG2 3.27Å; L596-V600 WeakPolarHBondContact O-CG2 3.4Å; L596-V600 PolarHBondContact O-N 3.29Å; V597-V600 PolarHBondContact O-N 3.35Å; A598-V600 PolarHBondContact O-N 3.24Å; V600-Y602 PolarHBondContact O-N 3.21Å; V600-N603 PolarHBondContact O-N 3.09Å; V600-I604 HydrophobicContact CG1-CD1 3.84Å; V600-I604 WeakPolarHBondContact O-CG1 3.48Å; V600-I604 PolarHBondContact O-N 3.42Å
601I91.6Very high87.6Confident81 Ų8146 Ų4642%0.41525%0.251SS..Hα-helixtrans-60.2-46.8177.8-68.9169.2000110.7V597 A598 N603 I604 I605V597-I601 HydrophobicContact CG1-CD1 3.66Å; V597-I601 HydrophobicContact CG1-CG1 4.44Å; V597-I601 WeakPolarHBondContact O-CB 3.41Å; V597-I601 VanDerWaalsContact O-CG1 3.25Å; V597-I601 WeakPolarHBondContact O-CG1 3.46Å; V597-I601 PolarHBondContact O-N 3.33Å; A598-I601 PolarHBondContact O-N 2.87Å; I601-N603 VanDerWaalsContact C-N 3.33Å; I601-N603 PolarHBondContact O-N 3.15Å; I601-I604 PolarHBondContact O-N 2.97Å; I601-I605 HydrophobicContact CG2-CD1 3.71Å; I601-I605 HydrophobicContact CG2-CG1 4.41Å; I601-I605 VanDerWaalsContact O-CG1 3.28Å; I601-I605 WeakPolarHBondContact O-CG1 3.44Å; I601-I605 PolarHBondContact O-N 3.25Å
602Y91.1Very high86.8Confident5 Ų548.4 Ų48.42%0.0227%0.27CS..Hα-helixtrans-61.8-39.2178.4-65.4-15.8000112.5L520 V524 C573 L577 A598 V599 V600 I605 I606L520-Y602 VanDerWaalsContact CA-OH 3.28Å; L520-Y602 WeakPolarHBondContact CA-OH 3.32Å; L520-Y602 HydrophobicContact CD2-CE2 4.33Å; L520-Y602 WeakPolarHBondContact CD2-OH 3.14Å; L520-Y602 PolarHBondContact O-OH 2.96Å; V524-Y602 HydrophobicContact CB-CE1 4.23Å; V524-Y602 HydrophobicContact CG1-CD1 3.48Å; V524-Y602 VanDerWaalsContact CG1-CD1 3.48Å; V524-Y602 HydrophobicContact CG1-CE1 3.34Å; V524-Y602 HydrophobicContact CG1-CG 4.44Å; V524-Y602 HydrophobicContact CG2-CD1 4.39Å; V524-Y602 HydrophobicContact CG2-CE1 3.84Å; C573-Y602 HydrophobicContact CB-CD2 3.71Å; C573-Y602 HydrophobicContact CB-CE2 3.83Å; C573-Y602 HydrophobicContact CB-CG 4.23Å; L577-Y602 HydrophobicContact CD2-CE2 4.19Å; L577-Y602 HydrophobicContact CG-CE2 4.17Å; A598-Y602 HydrophobicContact CB-CE2 4.38Å; A598-Y602 WeakPolarHBondContact O-CB 3.4Å; A598-Y602 WeakPolarHBondContact O-CD1 3.41Å; A598-Y602 WeakPolarHBondContact O-CD2 3.49Å; A598-Y602 PolarHBondContact O-N 2.67Å; V599-Y602 PolarHBondContact O-N 2.8Å; V600-Y602 PolarHBondContact O-N 3.21Å; Y602-I605 PolarHBondContact O-N 2.78Å; Y602-I606 WeakPolarHBondContact O-CB 3.44Å; Y602-I606 WeakPolarHBondContact O-CD1 3.5Å; Y602-I606 VanDerWaalsContact O-CG1 3.26Å; Y602-I606 WeakPolarHBondContact O-CG1 3.45Å; Y602-I606 PolarHBondContact O-N 3.35Å
603N89.1Confident85.9Confident26 Ų2646.9 Ų46.914%0.13926%0.262CS..Hα-helixtrans-68.3-39.3176-82.7-76.4000112.5V599 V600 I601 I605 I606 L607 S641V599-N603 WeakPolarHBondContact CG1-ND2 3.18Å; V599-N603 WeakPolarHBondContact O-CB 3.27Å; V599-N603 PolarHBondContact O-N 3.38Å; V599-N603 PolarHBondContact O-ND2 3.5Å; V600-N603 PolarHBondContact O-N 3.09Å; I601-N603 VanDerWaalsContact C-N 3.33Å; I601-N603 PolarHBondContact O-N 3.15Å; N603-I605 VanDerWaalsContact C-N 3.33Å; N603-I606 PolarHBondContact O-N 3.49Å; N603-L607 HydrophobicContact CB-CD1 4.49Å; N603-L607 VanDerWaalsContact O-CB 3.23Å; N603-L607 WeakPolarHBondContact O-CB 3.48Å; N603-L607 WeakPolarHBondContact O-CG 3.38Å; N603-L607 PolarHBondContact O-N 3.42Å; N603-S641 WeakPolarHBondContact OD1-CA 3.47Å; N603-S641 VanDerWaalsContact OD1-CB 3.23Å; N603-S641 WeakPolarHBondContact OD1-CB 3.21Å; N603-S641 PolarHBondContact OD1-OG 3.47Å
604I89.3Confident85Confident81 Ų8143.3 Ų43.342%0.41524%0.241SC..Hα-helixtrans-61.5-44.8174.4-68.2166.6000110.1V600 I601 I606 Q608 T609V600-I604 HydrophobicContact CG1-CD1 3.84Å; V600-I604 WeakPolarHBondContact O-CG1 3.48Å; V600-I604 PolarHBondContact O-N 3.42Å; I601-I604 PolarHBondContact O-N 2.97Å; I604-I606 PolarHBondContact O-N 3.05Å; I604-Q608 WeakPolarHBondContact O-CA 3.48Å; I604-Q608 VanDerWaalsContact O-CB 3.24Å; I604-Q608 WeakPolarHBondContact O-CB 3.27Å; I604-Q608 PolarHBondContact O-N 3.34Å; I604-T609 PolarHBondContact O-N 3.47Å
605I86.2Confident84.1Confident8 Ų845 Ų454%0.04125%0.249CC..Iπ-helixtrans-62.5-44.1178.8-67.3169.6000111.2V524 M527 F528 I601 Y602 N603 T609 H610V524-I605 HydrophobicContact CB-CD1 4.31Å; V524-I605 HydrophobicContact CG2-CD1 4.24Å; M527-I605 HydrophobicContact CE-CG2 4.23Å; M527-I605 HydrophobicContact SD-CG2 3.94Å; F528-I605 HydrophobicContact CE2-CD1 4.26Å; F528-I605 HydrophobicContact CZ-CD1 3.82Å; F528-I605 HydrophobicContact CZ-CG1 4.36Å; I601-I605 HydrophobicContact CG2-CD1 3.71Å; I601-I605 HydrophobicContact CG2-CG1 4.41Å; I601-I605 VanDerWaalsContact O-CG1 3.28Å; I601-I605 WeakPolarHBondContact O-CG1 3.44Å; I601-I605 PolarHBondContact O-N 3.25Å; Y602-I605 PolarHBondContact O-N 2.78Å; N603-I605 VanDerWaalsContact C-N 3.33Å; I605-T609 WeakPolarHBondContact CA-OG1 3.22Å; I605-T609 PolarHBondContact O-OG1 3.12Å; I605-H610 PolarHBondContact O-N 3Å
606I83.9Confident83.1Confident4 Ų446 Ų462%0.02126%0.26CS..Iπ-helixtrans-73.8-42.4-177.9-68.8166.6000112.2I570 Y602 N603 I604 L614 K637 L644I570-I606 HydrophobicContact CG1-CD1 4.18Å; Y602-I606 WeakPolarHBondContact O-CB 3.44Å; Y602-I606 WeakPolarHBondContact O-CD1 3.5Å; Y602-I606 VanDerWaalsContact O-CG1 3.26Å; Y602-I606 WeakPolarHBondContact O-CG1 3.45Å; Y602-I606 PolarHBondContact O-N 3.35Å; N603-I606 PolarHBondContact O-N 3.49Å; I604-I606 PolarHBondContact O-N 3.05Å; I606-L614 HydrophobicContact CG2-CD1 3.97Å; I606-L614 WeakPolarHBondContact O-CD1 3.44Å; I606-K637 HydrophobicContact CG2-CB 4.44Å; I606-L644 HydrophobicContact CD1-CD1 3.5Å
607L83.9Confident82Confident78 Ų7842.8 Ų42.841%0.40824%0.242SC..Iπ-helixtrans-92.3-20.4-171.3-64.1175.1000114.4N603 A611 K637N603-L607 HydrophobicContact CB-CD1 4.49Å; N603-L607 VanDerWaalsContact O-CB 3.23Å; N603-L607 WeakPolarHBondContact O-CB 3.48Å; N603-L607 WeakPolarHBondContact O-CG 3.38Å; N603-L607 PolarHBondContact O-N 3.42Å; L607-A611 WeakPolarHBondContact O-CB 3.28Å; L607-K637 HydrophobicContact CD2-CB 4.23Å; L607-K637 HydrophobicContact CD2-CG 4.2Å
608Q81.3Confident80.9Confident149 Ų14939.6 Ų39.670%0.69622%0.222SC*.Iπ-helixtrans-117.2-54.8-175.6-165.1172.91.300112.5I604I604-Q608 WeakPolarHBondContact O-CA 3.48Å; I604-Q608 VanDerWaalsContact O-CB 3.24Å; I604-Q608 WeakPolarHBondContact O-CB 3.27Å; I604-Q608 PolarHBondContact O-N 3.34Å
609T78.2Confident79.7Confident72 Ų7247.2 Ų47.244%0.44225%0.254SS..Iπ-helixtrans-80-37.1-172.265.20000113.4I604 I605I604-T609 PolarHBondContact O-N 3.47Å; I605-T609 WeakPolarHBondContact CA-OG1 3.22Å; I605-T609 PolarHBondContact O-OG1 3.12Å
610H75.6Confident78.4Confident21 Ų2148.6 Ų48.610%0.09727%0.266CS..SBendtrans-110.315.4180-65-77000114M527 I605 S612 L613 L614M527-H610 PolarHBondContact O-CE1 3.46Å; M527-H610 PolarHBondContact O-NE2 3.21Å; I605-H610 PolarHBondContact O-N 3Å; H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 2.79Å; H610-L613 HydrophobicContact CB-CD1 4.44Å; H610-L613 WeakPolarHBondContact ND1-CD1 3.28Å; H610-L613 PolarHBondContact O-N 3.38Å; H610-L614 HydrophobicContact CB-CD1 4.2Å; H610-L614 WeakPolarHBondContact O-CD1 3.36Å; H610-L614 PolarHBondContact O-N 3.49Å
611A75.1Confident77.1Confident18 Ų1849 Ų4915%0.14927%0.265CS..Hα-helixtrans-58.8-38.5-179.500000112.7L607 L614 D615L607-A611 WeakPolarHBondContact O-CB 3.28Å; A611-L614 PolarHBondContact O-N 2.76Å; A611-D615 VanDerWaalsContact O-CB 3.3Å; A611-D615 WeakPolarHBondContact O-CB 3.5Å; A611-D615 VanDerWaalsContact O-CG 3.26Å; A611-D615 PolarHBondContact O-N 3.09Å
612S71.6Confident76Confident63 Ų6350 Ų5044%0.44126%0.264SS..Hα-helixtrans-58.5-46.5175.8510000112.3D532 H610 G616D532-S612 PolarHBondContact OD2-OG 3.44Å; H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 2.79Å; S612-G616 PolarHBondContact O-N 3.14Å
613L71.2Confident74.6Confident20 Ų2055 Ų5511%0.10530%0.298CS..Hα-helixtrans-69.1-40.7-179.9-70.6161.4000112.2D532 H610 G616 F617D532-L613 WeakPolarHBondContact OD1-CD2 3.43Å; D532-L613 WeakPolarHBondContact OD1-CG 3.47Å; H610-L613 HydrophobicContact CB-CD1 4.44Å; H610-L613 WeakPolarHBondContact ND1-CD1 3.28Å; H610-L613 PolarHBondContact O-N 3.38Å; L613-G616 PolarHBondContact O-N 3.4Å; L613-F617 PolarHBondContact O-N 3.35Å
614L73.3Confident73.1Confident6 Ų658.4 Ų58.43%0.03132%0.32CS..Hα-helixtrans-67.1-41176.2-82.8144.6000112.2L566 I606 H610 A611 G616 F617 N618 L636 K637L566-L614 HydrophobicContact CD2-CB 4.3Å; L566-L614 HydrophobicContact CD2-CD2 3.96Å; L566-L614 HydrophobicContact CD2-CG 3.74Å; L566-L614 HydrophobicContact CG-CD2 4.4Å; L566-L614 HydrophobicContact CG-CG 4.38Å; I606-L614 HydrophobicContact CG2-CD1 3.97Å; I606-L614 WeakPolarHBondContact O-CD1 3.44Å; H610-L614 HydrophobicContact CB-CD1 4.2Å; H610-L614 WeakPolarHBondContact O-CD1 3.36Å; H610-L614 PolarHBondContact O-N 3.49Å; A611-L614 PolarHBondContact O-N 2.76Å; L614-G616 VanDerWaalsContact C-N 3.34Å; L614-F617 PolarHBondContact O-N 3.36Å; L614-N618 PolarHBondContact O-N 3.23Å; L614-N618 PolarHBondContact O-ND2 2.82Å; L614-L636 HydrophobicContact CD2-CB 4.11Å; L614-L636 HydrophobicContact CD2-CD2 3.69Å; L614-L636 HydrophobicContact CD2-CG 3.64Å; L614-K637 HydrophobicContact CB-CB 4.3Å
615D71.6Confident71.3Confident62 Ų6263.1 Ų63.133%0.33235%0.346SS..Hα-helixtrans-66.4-37.5174.1-75.7-23.2000111.7A611 F617 N618 K619 K637A611-D615 VanDerWaalsContact O-CB 3.3Å; A611-D615 WeakPolarHBondContact O-CB 3.5Å; A611-D615 VanDerWaalsContact O-CG 3.26Å; A611-D615 PolarHBondContact O-N 3.09Å; D615-F617 VanDerWaalsContact C-N 3.35Å; D615-F617 PolarHBondContact O-N 3.34Å; D615-N618 PolarHBondContact O-N 3.15Å; D615-K619 WeakPolarHBondContact O-CB 3.4Å; D615-K619 PolarHBondContact O-N 2.98Å; D615-K637 WeakPolarHBondContact OD1-CD 3.35Å; D615-K637 VanDerWaalsContact OD1-CE 3.27Å; D615-K637 WeakPolarHBondContact OD1-CE 3.46Å; D615-K637 IonicContact OD1-NZ 2.82Å; D615-K637 PolarHBondContact OD1-NZ 2.96Å; D615-K637 IonicContact OD2-NZ 2.8Å; D615-K637 PolarHBondContact OD2-NZ 2.85Å
616G67.7Low69.8Low23 Ų2370.3 Ų70.324%0.23738%0.377CS..Hα-helixtrans-61.1-39.1171.900000113.2S612 L613 L614 A620S612-G616 PolarHBondContact O-N 3.14Å; L613-G616 PolarHBondContact O-N 3.4Å; L614-G616 VanDerWaalsContact C-N 3.34Å; G616-A620 PolarHBondContact O-N 3.22Å
617F70.4Confident68.3Low16 Ų1676.5 Ų76.57%0.0742%0.417CS..Hα-helixtrans-68-43.5175.1177.5-98.4000112.6K563 F564 L566 P567 L613 L614 D615 K619 A620 L621 L636K563-F617 HydrophobicContact CB-CD2 3.82Å; K563-F617 VanDerWaalsContact O-CD2 3.32Å; K563-F617 WeakPolarHBondContact O-CD2 3.4Å; F564-F617 AromaticContact CD1-CE2 3.88Å; F564-F617 HydrophobicContact CD1-CE2 3.88Å; F564-F617 HydrophobicContact CD1-CZ 4.29Å; F564-F617 HydrophobicContact CE1-CE2 4.36Å; F564-F617 HydrophobicContact CG-CE2 4.37Å; L566-F617 HydrophobicContact CD2-CB 3.86Å; L566-F617 HydrophobicContact CD2-CG 4.41Å; P567-F617 HydrophobicContact CG-CE1 4.3Å; P567-F617 HydrophobicContact CG-CZ 4.28Å; L613-F617 PolarHBondContact O-N 3.35Å; L614-F617 PolarHBondContact O-N 3.36Å; D615-F617 VanDerWaalsContact C-N 3.35Å; D615-F617 PolarHBondContact O-N 3.34Å; F617-K619 VanDerWaalsContact C-N 3.31Å; F617-K619 PolarHBondContact O-N 3.11Å; F617-A620 PolarHBondContact O-N 2.77Å; F617-L621 HydrophobicContact CE1-CD2 4.24Å; F617-L621 HydrophobicContact CZ-CD2 4.45Å; F617-L621 PolarHBondContact O-N 3.3Å; F617-L636 HydrophobicContact CD1-CD2 3.43Å; F617-L636 VanDerWaalsContact CD1-CD2 3.43Å; F617-L636 HydrophobicContact CE1-CD2 3.64Å; F617-L636 HydrophobicContact CG-CD2 4.36Å
618N70.3Confident66.9Low10 Ų1079.1 Ų79.15%0.05343%0.432CS..Hα-helixtrans-60.9-41.3176.6-74.1-37.8000112.1L614 D615 A620 L621 Y622 D635 L636L614-N618 PolarHBondContact O-N 3.23Å; L614-N618 PolarHBondContact O-ND2 2.82Å; D615-N618 PolarHBondContact O-N 3.15Å; N618-A620 VanDerWaalsContact C-N 3.31Å; N618-A620 PolarHBondContact O-N 3.1Å; N618-L621 PolarHBondContact O-N 3.36Å; N618-Y622 PolarHBondContact O-N 3.36Å; N618-D635 PolarHBondContact ND2-OD1 3.02Å; N618-L636 PolarHBondContact ND2-N 3.29Å; N618-L636 WeakPolarHBondContact OD1-CB 3.23Å; N618-L636 PolarHBondContact OD1-N 2.89Å
619K67.4Low65.8Low169 Ų16983.1 Ų83.174%0.73544%0.44SS*.Hα-helixtrans-65.1-33.8177.8-167.9175.7-179.1-179.60112.4D615 F617D615-K619 WeakPolarHBondContact O-CB 3.4Å; D615-K619 PolarHBondContact O-N 2.98Å; F617-K619 VanDerWaalsContact C-N 3.31Å; F617-K619 PolarHBondContact O-N 3.11Å
620A65.4Low65Low37 Ų3782 Ų8231%0.30643%0.434SS..Hα-helixtrans-72.6-35.3175.100000113G616 F617 N618G616-A620 PolarHBondContact O-N 3.22Å; F617-A620 PolarHBondContact O-N 2.77Å; N618-A620 VanDerWaalsContact C-N 3.31Å; N618-A620 PolarHBondContact O-N 3.1Å
621L65.4Low64.5Low80 Ų8083.2 Ų83.242%0.41945%0.452SS..Hα-helixtrans-80.4-32.2-178.3-161.370.9000113F564 F617 N618F564-L621 HydrophobicContact CE1-CD1 4.31Å; F617-L621 HydrophobicContact CE1-CD2 4.24Å; F617-L621 HydrophobicContact CZ-CD2 4.45Å; F617-L621 PolarHBondContact O-N 3.3Å; N618-L621 PolarHBondContact O-N 3.36Å
622Y67.8Low63.9Low101 Ų10187.2 Ų87.240%0.39648%0.475SS..SBendtrans-127.775.9178.4-59-74.8000111.2N618 T624 K634N618-Y622 PolarHBondContact O-N 3.36Å; Y622-T624 PolarHBondContact O-N 3.32Å; Y622-K634 HydrophobicContact CE2-CB 4.45Å
623P62.2Low63.5Low111 Ų11191.7 Ų91.772%0.72149%0.493SS*.  trans-65.2109.9172.626.5-31.5000108.5
624T56.6Low63.3Low98 Ų9896.7 Ų96.760%0.60151%0.514SS*.  trans-120.3131.5177.139.30000109.2Y622 K626Y622-T624 PolarHBondContact O-N 3.32Å; T624-K626 PolarHBondContact O-N 3.25Å
625D51.7Low63.5Low180 Ų18097.3 Ų97.396%0.96352%0.517SS*.SBendtrans-75.82.3179.7-75.5-32000113.5
626K54.8Low63.7Low159 Ų15994.9 Ų94.969%0.69150%0.504SS*.SBendtrans-129.6145.3176.1-72.2-173.9179.81800111.1T624 D628T624-K626 PolarHBondContact O-N 3.25Å; K626-D628 PolarHBondContact O-N 3.5Å
627P53.6Low64.3Low133 Ų13396 Ų9686%0.86450%0.503SS*.  trans-7938.1-174.136.2-37.9000113.3R629P627-R629 PolarHBondContact O-N 3.23Å
628D54.6Low64.9Low134 Ų13497.1 Ų97.172%0.71751%0.511SS*.  trans-84.4114.2171.5-86.2-25.9000109.1K626K626-D628 PolarHBondContact O-N 3.5Å
629R58.1Low65.6Low233 Ų23399.7 Ų99.788%0.87952%0.523SS*.PPolyproline II helixtrans-54.3131178.8-69.2-177.4178179.4-0.4109.3P627 G631P627-R629 PolarHBondContact O-N 3.23Å; R629-G631 PolarHBondContact O-N 2.75Å
630P60.5Low66.4Low47 Ų4791.6 Ų91.631%0.30549%0.488SS..PPolyproline II helixtrans-56.1132.6172.623.1-30.8000108.4K634 D635P630-K634 HydrophobicContact CB-CB 3.72Å; P630-D635 HydrophobicContact CG-CB 4.45Å
631G64.3Low67.4Low47 Ų4791 Ų9149%0.48548%0.481SS..PPolyproline II helixtrans-53.3164-175.900000113.4R629 L633 K634 D635R629-G631 PolarHBondContact O-N 2.75Å; G631-L633 PolarHBondContact O-N 2.88Å; G631-K634 PolarHBondContact O-N 3.48Å; G631-D635 PolarHBondContact O-N 3.38Å
632V64.1Low68.5Low103 Ų10390.6 Ų90.662%0.62448%0.482SS*.THydrogen-bonded Turntrans-50.1-29.9-168.8-178.50000115.2T638V632-T638 PolarHBondContact O-OG1 3.3Å
633L63.5Low69.4Low157 Ų15787.3 Ų87.382%0.82247%0.474SS*.THydrogen-bonded Turntrans-84.2-20.4176.3-88.999.5000115G631G631-L633 PolarHBondContact O-N 2.88Å
634K66.3Low70.8Confident124 Ų12482 Ų8254%0.53944%0.44SS..THydrogen-bonded Turntrans-90.4-24.5-177.9-71.5-175.6179.4-177.90112.4Y622 P630 G631 L636Y622-K634 HydrophobicContact CE2-CB 4.45Å; P630-K634 HydrophobicContact CB-CB 3.72Å; G631-K634 PolarHBondContact O-N 3.48Å; K634-L636 PolarHBondContact O-N 3.08Å
635D76.4Confident72.4Confident20 Ų2083 Ų8311%0.10744%0.436CS..SBendtrans-78.3114.6174.5178.75000110.4N618 P630 G631 K637 T638 M639N618-D635 PolarHBondContact ND2-OD1 3.02Å; P630-D635 HydrophobicContact CG-CB 4.45Å; G631-D635 PolarHBondContact O-N 3.38Å; D635-K637 VanDerWaalsContact C-N 3.26Å; D635-K637 PolarHBondContact O-N 2.85Å; D635-K637 WeakPolarHBondContact OD1-CG 3.38Å; D635-K637 PolarHBondContact OD1-N 3.49Å; D635-K637 WeakPolarHBondContact OD2-CE 3.43Å; D635-T638 WeakPolarHBondContact CB-OG1 3.25Å; D635-T638 PolarHBondContact O-N 3.4Å; D635-T638 PolarHBondContact O-OG1 2.86Å; D635-M639 VanDerWaalsContact O-CB 3.26Å; D635-M639 WeakPolarHBondContact O-CB 3.37Å; D635-M639 PolarHBondContact O-N 3.35Å
636L77.4Confident74.3Confident10 Ų1079 Ų795%0.05241%0.414CS..Hα-helixtrans-60.3-31-175.4-174.759.1000113.3L566 P567 I570 L614 F617 N618 K634 M639 G640L566-L636 HydrophobicContact CB-CD2 4.28Å; P567-L636 HydrophobicContact CB-CD1 4.41Å; P567-L636 HydrophobicContact CG-CD1 4.31Å; P567-L636 HydrophobicContact CG-CD2 3.87Å; I570-L636 HydrophobicContact CD1-CD1 3.82Å; I570-L636 HydrophobicContact CD1-CG 4.15Å; L614-L636 HydrophobicContact CD2-CB 4.11Å; L614-L636 HydrophobicContact CD2-CD2 3.69Å; L614-L636 HydrophobicContact CD2-CG 3.64Å; F617-L636 HydrophobicContact CD1-CD2 3.43Å; F617-L636 VanDerWaalsContact CD1-CD2 3.43Å; F617-L636 HydrophobicContact CE1-CD2 3.64Å; F617-L636 HydrophobicContact CG-CD2 4.36Å; N618-L636 PolarHBondContact ND2-N 3.29Å; N618-L636 WeakPolarHBondContact OD1-CB 3.23Å; N618-L636 PolarHBondContact OD1-N 2.89Å; K634-L636 PolarHBondContact O-N 3.08Å; L636-M639 HydrophobicContact CD1-CE 3.53Å; L636-G640 PolarHBondContact O-N 2.99Å
637K80Confident76Confident48 Ų4875.8 Ų75.821%0.20940%0.4CS..Hα-helixtrans-73.1-42.3-179.878.7-163.3166.6-176.20111.9I606 L607 L614 D615 D635 S641I606-K637 HydrophobicContact CG2-CB 4.44Å; L607-K637 HydrophobicContact CD2-CB 4.23Å; L607-K637 HydrophobicContact CD2-CG 4.2Å; L614-K637 HydrophobicContact CB-CB 4.3Å; D615-K637 WeakPolarHBondContact OD1-CD 3.35Å; D615-K637 VanDerWaalsContact OD1-CE 3.27Å; D615-K637 WeakPolarHBondContact OD1-CE 3.46Å; D615-K637 IonicContact OD1-NZ 2.82Å; D615-K637 PolarHBondContact OD1-NZ 2.96Å; D615-K637 IonicContact OD2-NZ 2.8Å; D615-K637 PolarHBondContact OD2-NZ 2.85Å; D635-K637 VanDerWaalsContact C-N 3.26Å; D635-K637 PolarHBondContact O-N 2.85Å; D635-K637 WeakPolarHBondContact OD1-CG 3.38Å; D635-K637 PolarHBondContact OD1-N 3.49Å; D635-K637 WeakPolarHBondContact OD2-CE 3.43Å; K637-S641 WeakPolarHBondContact O-CB 3.34Å; K637-S641 PolarHBondContact O-N 3.44Å; K637-S641 VanDerWaalsContact O-N 3.07Å
638T82Confident77.8Confident39 Ų3970.2 Ų70.224%0.23936%0.362CS..Hα-helixtrans-73.3-40.517754.10000110.9V632 D635 S641 V642V632-T638 PolarHBondContact O-OG1 3.3Å; D635-T638 WeakPolarHBondContact CB-OG1 3.25Å; D635-T638 PolarHBondContact O-N 3.4Å; D635-T638 PolarHBondContact O-OG1 2.86Å; T638-S641 PolarHBondContact O-N 3.33Å; T638-V642 WeakPolarHBondContact O-CB 3.29Å; T638-V642 VanDerWaalsContact O-CG2 3.23Å; T638-V642 WeakPolarHBondContact O-CG2 2.9Å; T638-V642 PolarHBondContact O-N 2.93Å
639M84.9Confident79.6Confident63 Ų6367.2 Ų67.231%0.3135%0.345SS..Hα-helixtrans-62.7-43.3175.4-176.3-83.1-80.200111.6D635 L636 S643D635-M639 VanDerWaalsContact O-CB 3.26Å; D635-M639 WeakPolarHBondContact O-CB 3.37Å; D635-M639 PolarHBondContact O-N 3.35Å; L636-M639 HydrophobicContact CD1-CE 3.53Å; M639-S643 VanDerWaalsContact O-CB 3.25Å; M639-S643 WeakPolarHBondContact O-CB 3.38Å; M639-S643 PolarHBondContact O-N 3.22Å; M639-S643 PolarHBondContact O-OG 3.01Å
640G84Confident81.2Confident0 Ų060.1 Ų60.10%033%0.328CS..Hα-helixtrans-62.6-45.417600000113.1L636 S643 L644L636-G640 PolarHBondContact O-N 2.99Å; G640-S643 PolarHBondContact O-N 3.07Å; G640-L644 WeakPolarHBondContact O-CG 3.29Å; G640-L644 PolarHBondContact O-N 3.3Å
641S87.4Confident82.6Confident24 Ų2458.5 Ų58.517%0.16832%0.316CS..Hα-helixtrans-61.7-48.5176.3177.60000112.4N603 K637 T638 S643 L644 F645N603-S641 WeakPolarHBondContact OD1-CA 3.47Å; N603-S641 VanDerWaalsContact OD1-CB 3.23Å; N603-S641 WeakPolarHBondContact OD1-CB 3.21Å; N603-S641 PolarHBondContact OD1-OG 3.47Å; K637-S641 WeakPolarHBondContact O-CB 3.34Å; K637-S641 PolarHBondContact O-N 3.44Å; K637-S641 VanDerWaalsContact O-N 3.07Å; T638-S641 PolarHBondContact O-N 3.33Å; S641-S643 VanDerWaalsContact C-N 3.34Å; S641-S643 PolarHBondContact O-N 3.35Å; S641-L644 PolarHBondContact O-N 3.19Å; S641-F645 PolarHBondContact O-N 3.26Å
642V89.1Confident83.8Confident72 Ų7257.7 Ų57.744%0.43630%0.301SS..Hα-helixtrans-62.6-41.6177.4170.90000111.1T638 F645 I646T638-V642 WeakPolarHBondContact O-CB 3.29Å; T638-V642 VanDerWaalsContact O-CG2 3.23Å; T638-V642 WeakPolarHBondContact O-CG2 2.9Å; T638-V642 PolarHBondContact O-N 2.93Å; V642-F645 PolarHBondContact O-N 3.47Å; V642-I646 HydrophobicContact CG1-CD1 3.79Å; V642-I646 HydrophobicContact CG1-CG1 4.4Å; V642-I646 WeakPolarHBondContact O-CG1 3.27Å; V642-I646 PolarHBondContact O-N 3.16Å
643S87.1Confident85Confident32 Ų3256.9 Ų56.922%0.22430%0.296CS..Hα-helixtrans-62.7-45.1178-61.60000111.8M639 G640 S641 F645 I646 F647M639-S643 VanDerWaalsContact O-CB 3.25Å; M639-S643 WeakPolarHBondContact O-CB 3.38Å; M639-S643 PolarHBondContact O-N 3.22Å; M639-S643 PolarHBondContact O-OG 3.01Å; G640-S643 PolarHBondContact O-N 3.07Å; S641-S643 VanDerWaalsContact C-N 3.34Å; S641-S643 PolarHBondContact O-N 3.35Å; S643-F645 VanDerWaalsContact C-N 3.3Å; S643-F645 PolarHBondContact O-N 3.36Å; S643-I646 PolarHBondContact O-N 3.17Å; S643-F647 WeakPolarHBondContact O-CD2 3.47Å; S643-F647 PolarHBondContact O-N 3.4Å
644L90.1Very high86.1Confident0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-60.7-39.4175.4-74.6171.1000112.1C573 I574 L577 I606 G640 S641 F648C573-L644 HydrophobicContact CB-CD2 3.79Å; I574-L644 HydrophobicContact CG1-CD2 3.75Å; L577-L644 HydrophobicContact CD1-CD2 3.91Å; I606-L644 HydrophobicContact CD1-CD1 3.5Å; G640-L644 WeakPolarHBondContact O-CG 3.29Å; G640-L644 PolarHBondContact O-N 3.3Å; S641-L644 PolarHBondContact O-N 3.19Å; L644-F648 VanDerWaalsContact O-CB 3.29Å; L644-F648 WeakPolarHBondContact O-CB 3.22Å; L644-F648 PolarHBondContact O-N 3.01Å
645F90.3Very high87Confident117 Ų11746.4 Ų46.451%0.51325%0.247SC..Hα-helixtrans-67.6-42.2177.7-169.9-102.6000112.6S641 V642 S643 F648 I649S641-F645 PolarHBondContact O-N 3.26Å; V642-F645 PolarHBondContact O-N 3.47Å; S643-F645 VanDerWaalsContact C-N 3.3Å; S643-F645 PolarHBondContact O-N 3.36Å; F645-F648 HydrophobicContact CD2-CD1 4.49Å; F645-F648 HydrophobicContact CE2-CD1 4.48Å; F645-F648 WeakPolarHBondContact O-CB 3.16Å; F645-F648 PolarHBondContact O-N 2.82Å; F645-I649 HydrophobicContact CD1-CG1 4.37Å; F645-I649 HydrophobicContact CE1-CD1 4.47Å; F645-I649 HydrophobicContact CE1-CG1 4.01Å; F645-I649 HydrophobicContact CZ-CD1 4.15Å; F645-I649 HydrophobicContact CZ-CG1 4.17Å; F645-I649 WeakPolarHBondContact O-CG1 3.35Å; F645-I649 PolarHBondContact O-N 3.32Å
646I91.5Very high87.5Confident98 Ų9851 Ų5150%0.50326%0.263SS..Hα-helixtrans-62.2-45.9176-68.7168000110.9V642 S643 F648 I649 T650V642-I646 HydrophobicContact CG1-CD1 3.79Å; V642-I646 HydrophobicContact CG1-CG1 4.4Å; V642-I646 WeakPolarHBondContact O-CG1 3.27Å; V642-I646 PolarHBondContact O-N 3.16Å; S643-I646 PolarHBondContact O-N 3.17Å; I646-F648 VanDerWaalsContact C-N 3.34Å; I646-F648 PolarHBondContact O-N 3.42Å; I646-I649 PolarHBondContact O-N 2.83Å; I646-T650 WeakPolarHBondContact O-CB 3.4Å; I646-T650 PolarHBondContact O-N 3.5Å; I646-T650 PolarHBondContact O-OG1 3.34Å
647F90.6Very high87.8Confident90 Ų9055.1 Ų55.140%0.39528%0.282SS..Hα-helixtrans-64.6-38.4176.6-89.5-81.4000112I574 S643 T650 L651I574-F647 HydrophobicContact CD1-CD2 4Å; I574-F647 HydrophobicContact CD1-CE2 4.12Å; I574-F647 HydrophobicContact CG1-CD2 4.27Å; I574-F647 HydrophobicContact CG2-CD1 3.87Å; I574-F647 HydrophobicContact CG2-CD2 4.06Å; I574-F647 HydrophobicContact CG2-CE1 4.01Å; I574-F647 HydrophobicContact CG2-CE2 4.2Å; I574-F647 HydrophobicContact CG2-CG 3.9Å; I574-F647 HydrophobicContact CG2-CZ 4.17Å; S643-F647 WeakPolarHBondContact O-CD2 3.47Å; S643-F647 PolarHBondContact O-N 3.4Å; F647-T650 PolarHBondContact O-N 3.19Å; F647-L651 WeakPolarHBondContact O-CB 3.23Å; F647-L651 VanDerWaalsContact O-CG 3.25Å; F647-L651 WeakPolarHBondContact O-CG 3.46Å; F647-L651 PolarHBondContact O-N 3.22Å
648F92.4Very high87.9Confident16 Ų1653.5 Ų53.57%0.0728%0.276CS..Hα-helixtrans-57.4-52.5173.9169-107.9000112.1M595 L596 V599 L644 F645 I646 T650 L651 L652M595-F648 HydrophobicContact CB-CD2 4.01Å; M595-F648 HydrophobicContact CB-CE2 3.82Å; M595-F648 HydrophobicContact CE-CD2 4.16Å; L596-F648 HydrophobicContact CB-CE2 4.42Å; L596-F648 HydrophobicContact CB-CZ 4.4Å; L596-F648 HydrophobicContact CD1-CZ 4.13Å; V599-F648 HydrophobicContact CG2-CB 3.81Å; V599-F648 HydrophobicContact CG2-CD2 3.74Å; V599-F648 HydrophobicContact CG2-CG 3.94Å; L644-F648 VanDerWaalsContact O-CB 3.29Å; L644-F648 WeakPolarHBondContact O-CB 3.22Å; L644-F648 PolarHBondContact O-N 3.01Å; F645-F648 HydrophobicContact CD2-CD1 4.49Å; F645-F648 HydrophobicContact CE2-CD1 4.48Å; F645-F648 WeakPolarHBondContact O-CB 3.16Å; F645-F648 PolarHBondContact O-N 2.82Å; I646-F648 VanDerWaalsContact C-N 3.34Å; I646-F648 PolarHBondContact O-N 3.42Å; F648-T650 VanDerWaalsContact C-N 3.32Å; F648-T650 PolarHBondContact O-N 3.28Å; F648-L651 PolarHBondContact O-N 3.11Å; F648-L652 HydrophobicContact CZ-CD1 4.48Å; F648-L652 WeakPolarHBondContact O-CB 3.28Å; F648-L652 PolarHBondContact O-N 3.43Å
649I91.8Very high87.9Confident71 Ų7151.8 Ų51.836%0.36427%0.265SS..Hα-helixtrans-61.6-42.1179.2-64-61.7000111F645 I646 L652 V653F645-I649 HydrophobicContact CD1-CG1 4.37Å; F645-I649 HydrophobicContact CE1-CD1 4.47Å; F645-I649 HydrophobicContact CE1-CG1 4.01Å; F645-I649 HydrophobicContact CZ-CD1 4.15Å; F645-I649 HydrophobicContact CZ-CG1 4.17Å; F645-I649 WeakPolarHBondContact O-CG1 3.35Å; F645-I649 PolarHBondContact O-N 3.32Å; I646-I649 PolarHBondContact O-N 2.83Å; I649-L652 WeakPolarHBondContact O-CB 3.24Å; I649-L652 PolarHBondContact O-N 3.38Å; I649-V653 WeakPolarHBondContact O-CG2 3.46Å; I649-V653 PolarHBondContact O-N 3.19Å
650T91.1Very high87.8Confident84 Ų8450.2 Ų50.252%0.51526%0.256SS..Hα-helixtrans-62.2-46.9179.5-55.60000111.6I646 F647 F648 L652 V653 L654I646-T650 WeakPolarHBondContact O-CB 3.4Å; I646-T650 PolarHBondContact O-N 3.5Å; I646-T650 PolarHBondContact O-OG1 3.34Å; F647-T650 PolarHBondContact O-N 3.19Å; F648-T650 VanDerWaalsContact C-N 3.32Å; F648-T650 PolarHBondContact O-N 3.28Å; T650-L652 VanDerWaalsContact C-N 3.33Å; T650-L652 PolarHBondContact O-N 3.1Å; T650-V653 PolarHBondContact O-N 3.08Å; T650-L654 PolarHBondContact O-N 3Å; T650-L654 VanDerWaalsContact O-N 3.08Å
651L89.9Confident87.5Confident13 Ų1356 Ų567%0.06828%0.278CS..Hα-helixtrans-69.9-30.3178.7-67.9175.8000112.3L577 V578 M595 F647 F648 L654 A655L577-L651 HydrophobicContact CB-CD1 3.97Å; V578-L651 HydrophobicContact CG2-CD1 4.23Å; M595-L651 HydrophobicContact CE-CB 3.32Å; M595-L651 HydrophobicContact CE-CD1 3.89Å; M595-L651 HydrophobicContact CE-CG 4.26Å; M595-L651 HydrophobicContact SD-CB 4.48Å; F647-L651 WeakPolarHBondContact O-CB 3.23Å; F647-L651 VanDerWaalsContact O-CG 3.25Å; F647-L651 WeakPolarHBondContact O-CG 3.46Å; F647-L651 PolarHBondContact O-N 3.22Å; F648-L651 PolarHBondContact O-N 3.11Å; L651-L654 HydrophobicContact CD2-CD2 4.49Å; L651-L654 PolarHBondContact O-N 2.85Å; L651-A655 VanDerWaalsContact O-CB 3.29Å; L651-A655 WeakPolarHBondContact O-CB 3.25Å; L651-A655 PolarHBondContact O-N 2.84Å
652L89.3Confident87.1Confident30 Ų3055.7 Ų55.716%0.15728%0.276CS..Hα-helixtrans-64-47.2173.1-17183.6000111.2Y588 M592 F648 I649 T650 L654 A655 R656Y588-L652 HydrophobicContact CE2-CD1 3.71Å; Y588-L652 HydrophobicContact CE2-CG 3.93Å; Y588-L652 WeakPolarHBondContact CE2-O 3.47Å; Y588-L652 WeakPolarHBondContact OH-CD1 3.2Å; Y588-L652 VanDerWaalsContact OH-CG 3.32Å; Y588-L652 WeakPolarHBondContact OH-CG 2.94Å; M592-L652 HydrophobicContact CB-CD1 3.99Å; M592-L652 HydrophobicContact CG-CD1 3.74Å; F648-L652 HydrophobicContact CZ-CD1 4.48Å; F648-L652 WeakPolarHBondContact O-CB 3.28Å; F648-L652 PolarHBondContact O-N 3.43Å; I649-L652 WeakPolarHBondContact O-CB 3.24Å; I649-L652 PolarHBondContact O-N 3.38Å; T650-L652 VanDerWaalsContact C-N 3.33Å; T650-L652 PolarHBondContact O-N 3.1Å; L652-L654 VanDerWaalsContact C-N 3.33Å; L652-L654 PolarHBondContact O-N 3.3Å; L652-A655 PolarHBondContact O-N 3.36Å; L652-R656 WeakPolarHBondContact O-CB 3.43Å; L652-R656 PolarHBondContact O-N 3.49Å
653V89Confident86.8Confident87 Ų8752.3 Ų52.353%0.52726%0.255SS..Hα-helixtrans-60.3-45176.4172.70000110.5I649 T650 R656 Q657I649-V653 WeakPolarHBondContact O-CG2 3.46Å; I649-V653 PolarHBondContact O-N 3.19Å; T650-V653 PolarHBondContact O-N 3.08Å; V653-R656 PolarHBondContact O-N 2.97Å; V653-Q657 WeakPolarHBondContact O-CB 3.48Å; V653-Q657 PolarHBondContact O-N 3.25Å
654L87Confident86.4Confident55 Ų5552.8 Ų52.829%0.28826%0.255SS..Hα-helixtrans-61.3-45.2176.4-178.362.8000112.1T650 L651 L652 R656 Q657 N658T650-L654 PolarHBondContact O-N 3Å; T650-L654 VanDerWaalsContact O-N 3.08Å; L651-L654 HydrophobicContact CD2-CD2 4.49Å; L651-L654 PolarHBondContact O-N 2.85Å; L652-L654 VanDerWaalsContact C-N 3.33Å; L652-L654 PolarHBondContact O-N 3.3Å; L654-R656 VanDerWaalsContact C-N 3.32Å; L654-R656 PolarHBondContact O-N 3.46Å; L654-Q657 PolarHBondContact O-N 2.95Å; L654-N658 WeakPolarHBondContact O-CB 3.28Å; L654-N658 VanDerWaalsContact O-CG 3.25Å; L654-N658 PolarHBondContact O-N 2.8Å; L654-N658 PolarHBondContact O-ND2 3.35Å
655A85.8Confident85.8Confident5 Ų554.2 Ų54.24%0.04126%0.263CS..Hα-helixtrans-62.5-39.7178.200000112.1Y588 K591 L651 L652 E659Y588-A655 HydrophobicContact CD2-CB 3.98Å; Y588-A655 HydrophobicContact CE2-CB 4.38Å; K591-A655 HydrophobicContact CD-CB 4.2Å; L651-A655 VanDerWaalsContact O-CB 3.29Å; L651-A655 WeakPolarHBondContact O-CB 3.25Å; L651-A655 PolarHBondContact O-N 2.84Å; L652-A655 PolarHBondContact O-N 3.36Å; A655-E659 PolarHBondContact O-N 3.5Å; A655-E659 VanDerWaalsContact O-N 3.16Å
656R86Confident85.3Confident116 Ų11649 Ų4944%0.43824%0.24SC..Hα-helixtrans-64.7-46.5176-173.4-177.9176.6161.32.1111.7R406 L409 Y588 L652 V653 L654 N658 E659 Y660R406-R656 PolarHBondContact O-NH2 2.94Å; L409-R656 HydrophobicContact CD1-CG 3.98Å; Y588-R656 HydrophobicContact CD2-CB 4Å; Y588-R656 HydrophobicContact CE2-CB 3.71Å; Y588-R656 HydrophobicContact CE2-CG 4.47Å; L652-R656 WeakPolarHBondContact O-CB 3.43Å; L652-R656 PolarHBondContact O-N 3.49Å; V653-R656 PolarHBondContact O-N 2.97Å; L654-R656 VanDerWaalsContact C-N 3.32Å; L654-R656 PolarHBondContact O-N 3.46Å; R656-N658 PolarHBondContact O-N 2.98Å; R656-E659 PolarHBondContact O-N 3.07Å; R656-Y660 WeakPolarHBondContact O-CB 3.09Å; R656-Y660 PolarHBondContact O-N 3.02Å; R656-Y660 VanDerWaalsContact O-N 3.09Å
657Q84.3Confident84.8Confident98 Ų9845.5 Ų45.546%0.45822%0.222SC..Hα-helixtrans-61-45179-178.2174.7-18.900111.3V653 L654 Y660 Y661V653-Q657 WeakPolarHBondContact O-CB 3.48Å; V653-Q657 PolarHBondContact O-N 3.25Å; L654-Q657 PolarHBondContact O-N 2.95Å; Q657-Y660 PolarHBondContact O-N 3.01Å; Q657-Y661 HydrophobicContact CG-CD2 3.83Å; Q657-Y661 HydrophobicContact CG-CE2 3.55Å; Q657-Y661 WeakPolarHBondContact O-CD2 3.42Å; Q657-Y661 PolarHBondContact O-N 3.42Å; Q657-Y661 VanDerWaalsContact O-N 3.15Å
658N81.9Confident84.1Confident14 Ų1443.1 Ų43.18%0.07521%0.211CC..Hα-helixtrans-64-44.1-179.7-72.4-18.7000112.8H37 L584 L654 R656 Y660 Y661 C662H37-N658 PolarHBondContact NE2-ND2 3.03Å; L584-N658 HydrophobicContact CD2-CB 4Å; L584-N658 WeakPolarHBondContact CD2-ND2 3.17Å; L654-N658 WeakPolarHBondContact O-CB 3.28Å; L654-N658 VanDerWaalsContact O-CG 3.25Å; L654-N658 PolarHBondContact O-N 2.8Å; L654-N658 PolarHBondContact O-ND2 3.35Å; R656-N658 PolarHBondContact O-N 2.98Å; N658-Y660 VanDerWaalsContact C-N 3.35Å; N658-Y661 PolarHBondContact O-N 3.34Å; N658-C662 PolarHBondContact O-N 3.36Å; N658-C662 VanDerWaalsContact O-N 3.12Å; N658-C662 PolarHBondContact O-SG 3.47Å
659E83.1Confident83.3Confident2 Ų246.9 Ų46.91%0.00922%0.224CC..Hα-helixtrans-63.9-40.7177.4179.965.6-172.200111.5L409 Y420 A655 R656 C662 R663L409-E659 HydrophobicContact CD1-CB 4.26Å; L409-E659 HydrophobicContact CD1-CG 4.11Å; Y420-E659 PolarHBondContact OH-OE1 3.3Å; Y420-E659 PolarHBondContact OH-OE2 3.35Å; A655-E659 PolarHBondContact O-N 3.5Å; A655-E659 VanDerWaalsContact O-N 3.16Å; R656-E659 PolarHBondContact O-N 3.07Å; E659-C662 PolarHBondContact O-N 3.38Å; E659-R663 WeakPolarHBondContact O-CG 3.44Å; E659-R663 PolarHBondContact O-N 3.49Å; E659-R663 IonicContact OE1-CZ 3.2Å; E659-R663 IonicContact OE1-NE 3.32Å; E659-R663 PolarHBondContact OE1-NE 2.67Å; E659-R663 IonicContact OE1-NH2 3.98Å; E659-R663 PolarHBondContact OE1-NH2 2.9Å
660Y81.8Confident82.8Confident31 Ų3144.2 Ų44.212%0.12221%0.211CC..Hα-helixtrans-59-49.7177175.2-99000112.1W398 L409 R656 Q657 N658 C662 R663 L664W398-Y660 AromaticContact CE2-CE1 3.99Å; W398-Y660 HydrophobicContact CZ2-CE1 4.1Å; W398-Y660 AromaticContact NE1-CE1 3.67Å; W398-Y660 AromaticContact NE1-CZ 3.97Å; L409-Y660 HydrophobicContact CD2-CD2 3.98Å; R656-Y660 WeakPolarHBondContact O-CB 3.09Å; R656-Y660 PolarHBondContact O-N 3.02Å; R656-Y660 VanDerWaalsContact O-N 3.09Å; Q657-Y660 PolarHBondContact O-N 3.01Å; N658-Y660 VanDerWaalsContact C-N 3.35Å; Y660-C662 VanDerWaalsContact C-N 3.34Å; Y660-C662 PolarHBondContact O-N 3.41Å; Y660-R663 PolarHBondContact O-N 3.35Å; Y660-L664 HydrophobicContact CE1-CD2 4.22Å; Y660-L664 WeakPolarHBondContact O-CB 3.32Å; Y660-L664 PolarHBondContact O-N 2.78Å
661Y78.4Confident82.3Confident121 Ų12145 Ų4548%0.47521%0.207SC..Hα-helixtrans-63.8-37.4178.7-77.7-65.5000112.7Q657 N658 R663 L664 D665Q657-Y661 HydrophobicContact CG-CD2 3.83Å; Q657-Y661 HydrophobicContact CG-CE2 3.55Å; Q657-Y661 WeakPolarHBondContact O-CD2 3.42Å; Q657-Y661 PolarHBondContact O-N 3.42Å; Q657-Y661 VanDerWaalsContact O-N 3.15Å; N658-Y661 PolarHBondContact O-N 3.34Å; Y661-R663 VanDerWaalsContact C-N 3.34Å; Y661-R663 PolarHBondContact O-N 2.62Å; Y661-L664 PolarHBondContact O-N 2.92Å; Y661-D665 WeakPolarHBondContact O-CB 3.37Å; Y661-D665 PolarHBondContact O-N 2.92Å
662C79.4Confident81.6Confident17 Ų1744.9 Ų44.912%0.11521%0.206CC..Hα-helixtrans-64.2-37.9176.1-67.90000112.6Y420 N658 E659 Y660 F666Y420-C662 WeakPolarHBondContact OH-CB 3.41Å; N658-C662 PolarHBondContact O-N 3.36Å; N658-C662 VanDerWaalsContact O-N 3.12Å; N658-C662 PolarHBondContact O-SG 3.47Å; E659-C662 PolarHBondContact O-N 3.38Å; Y660-C662 VanDerWaalsContact C-N 3.34Å; Y660-C662 PolarHBondContact O-N 3.41Å; C662-F666 PolarHBondContact O-N 3.41Å
663R82.5Confident81.2Confident2 Ų248.5 Ų48.51%0.00822%0.22CC..Hα-helixtrans-72.5-39177.6-74.4178.7172.6-95-5.6112.2I404 L409 F411 E417 Y420 E659 Y660 Y661 F666 L667I404-R663 HydrophobicContact CD1-CB 4.37Å; L409-R663 WeakPolarHBondContact O-CD 3.46Å; L409-R663 PolarHBondContact O-NE 3.46Å; L409-R663 VanDerWaalsContact O-NE 3.11Å; L409-R663 PolarHBondContact O-NH1 3.49Å; F411-R663 HydrophobicContact CE1-CB 4.19Å; F411-R663 HydrophobicContact CE2-CB 4.4Å; F411-R663 HydrophobicContact CE2-CG 4.16Å; F411-R663 HydrophobicContact CZ-CB 3.67Å; F411-R663 HydrophobicContact CZ-CG 3.94Å; F411-R663 WeakPolarHBondContact CZ-O 3.33Å; E417-R663 IonicContact OE1-NH1 2.65Å; E417-R663 IonicContact OE1-NH2 3.89Å; E417-R663 PolarHBondContact OE1-NH2 3.19Å; E417-R663 VanDerWaalsContact OE1-NH2 3.15Å; E417-R663 IonicContact OE2-CZ 3.34Å; E417-R663 IonicContact OE2-NH1 3.22Å; E417-R663 PolarHBondContact OE2-NH1 3.49Å; E417-R663 IonicContact OE2-NH2 2.96Å; E417-R663 PolarHBondContact OE2-NH2 3.17Å; Y420-R663 HydrophobicContact CE1-CG 4.08Å; Y420-R663 HydrophobicContact CE2-CG 4.19Å; E659-R663 WeakPolarHBondContact O-CG 3.44Å; E659-R663 PolarHBondContact O-N 3.49Å; E659-R663 IonicContact OE1-CZ 3.2Å; E659-R663 IonicContact OE1-NE 3.32Å; E659-R663 PolarHBondContact OE1-NE 2.67Å; E659-R663 IonicContact OE1-NH2 3.98Å; E659-R663 PolarHBondContact OE1-NH2 2.9Å; Y660-R663 PolarHBondContact O-N 3.35Å; Y661-R663 VanDerWaalsContact C-N 3.34Å; Y661-R663 PolarHBondContact O-N 2.62Å; R663-F666 PolarHBondContact O-N 3.06Å; R663-L667 WeakPolarHBondContact O-CB 3.41Å; R663-L667 PolarHBondContact O-N 3.33Å
664L78.3Confident80.9Confident42 Ų4249.7 Ų49.722%0.2222%0.215CC..Hα-helixtrans-63.5-45176.5-172.363000111.4Y660 Y661 F666 L667 W668Y660-L664 HydrophobicContact CE1-CD2 4.22Å; Y660-L664 WeakPolarHBondContact O-CB 3.32Å; Y660-L664 PolarHBondContact O-N 2.78Å; Y661-L664 PolarHBondContact O-N 2.92Å; L664-F666 VanDerWaalsContact C-N 3.35Å; L664-F666 PolarHBondContact O-N 3.5Å; L664-L667 PolarHBondContact O-N 2.93Å; L664-W668 PolarHBondContact O-N 3.36Å
665D76.9Confident80.5Confident30 Ų3050.5 Ų50.516%0.1622%0.218CC..Hα-helixtrans-55.1-48.4173.3173.670.4000111.7T48 Y661 L667 R669T48-D665 WeakPolarHBondContact CB-OD1 3.26Å; T48-D665 HydrophobicContact CG2-CB 4.48Å; T48-D665 WeakPolarHBondContact CG2-OD1 3.17Å; T48-D665 PolarHBondContact OG1-OD1 2.75Å; Y661-D665 WeakPolarHBondContact O-CB 3.37Å; Y661-D665 PolarHBondContact O-N 2.92Å; D665-L667 PolarHBondContact O-N 3.44Å; D665-R669 WeakPolarHBondContact O-CB 3.4Å; D665-R669 PolarHBondContact O-N 3.49Å
666F80.1Confident80.3Confident7 Ų751.4 Ų51.43%0.03122%0.224CC..Hα-helixtrans-62.1-45.1177.9179-95.6000112.8F411 L416 E419 Y420 C662 R663 L664 R669 D670F411-F666 HydrophobicContact CE2-CD1 4.06Å; F411-F666 AromaticContact CZ-CD1 3.98Å; F411-F666 HydrophobicContact CZ-CD1 3.98Å; L416-F666 HydrophobicContact CD2-CE1 4.31Å; E419-F666 HydrophobicContact CB-CZ 3.87Å; E419-F666 HydrophobicContact CG-CE2 4.28Å; E419-F666 HydrophobicContact CG-CZ 3.8Å; Y420-F666 HydrophobicContact CD2-CB 3.71Å; Y420-F666 HydrophobicContact CD2-CD1 4.03Å; Y420-F666 AromaticContact CD2-CD2 3.99Å; Y420-F666 HydrophobicContact CD2-CD2 3.99Å; Y420-F666 AromaticContact CD2-CG 3.62Å; Y420-F666 HydrophobicContact CD2-CG 3.62Å; Y420-F666 HydrophobicContact CE2-CB 4.15Å; Y420-F666 HydrophobicContact CG-CD1 4.41Å; Y420-F666 HydrophobicContact CG-CG 4.4Å; C662-F666 PolarHBondContact O-N 3.41Å; R663-F666 PolarHBondContact O-N 3.06Å; L664-F666 VanDerWaalsContact C-N 3.35Å; L664-F666 PolarHBondContact O-N 3.5Å; F666-R669 PolarHBondContact O-N 2.86Å; F666-D670 PolarHBondContact O-N 2.97Å
667L80.6Confident80.1Confident25 Ų2550.6 Ų50.613%0.13123%0.225CC..Hα-helixtrans-61.2-46.5-178.9-177.968.6000111.7D403 F411 L416 R663 L664 D665 D670 K671D403-L667 HydrophobicContact CB-CD2 4.1Å; F411-L667 HydrophobicContact CE1-CB 4.2Å; F411-L667 HydrophobicContact CE1-CD1 4.39Å; L416-L667 HydrophobicContact CD1-CD1 4.22Å; R663-L667 WeakPolarHBondContact O-CB 3.41Å; R663-L667 PolarHBondContact O-N 3.33Å; L664-L667 PolarHBondContact O-N 2.93Å; D665-L667 PolarHBondContact O-N 3.44Å; L667-D670 PolarHBondContact O-N 3.5Å; L667-K671 WeakPolarHBondContact O-CB 3.25Å; L667-K671 PolarHBondContact O-N 2.97Å
668W75.6Confident80Confident40 Ų4052.3 Ų52.315%0.15223%0.233CC..Hα-helixtrans-64.8-42.2177.9-78.8115.4000111.8I392 Q397 L664 D670 K671 F672I392-W668 HydrophobicContact CB-CZ2 4.48Å; I392-W668 HydrophobicContact CG1-CH2 3.89Å; I392-W668 HydrophobicContact CG1-CZ2 3.88Å; I392-W668 HydrophobicContact CG1-CZ3 4.23Å; I392-W668 HydrophobicContact CG2-CZ2 4.37Å; Q397-W668 VanDerWaalsContact NE2-CZ2 3.33Å; L664-W668 PolarHBondContact O-N 3.36Å; W668-D670 VanDerWaalsContact C-N 3.33Å; W668-D670 PolarHBondContact O-N 3.4Å; W668-K671 HydrophobicContact CE3-CD 4.26Å; W668-K671 HydrophobicContact CZ3-CD 4.09Å; W668-K671 PolarHBondContact O-N 2.95Å; W668-F672 HydrophobicContact CB-CD2 4.44Å; W668-F672 HydrophobicContact CB-CE2 4.3Å; W668-F672 AromaticContact CE3-CE2 3.91Å; W668-F672 HydrophobicContact CE3-CE2 3.91Å; W668-F672 HydrophobicContact CE3-CZ 4.17Å; W668-F672 HydrophobicContact CZ3-CZ 4.5Å; W668-F672 WeakPolarHBondContact O-CD2 3.36Å; W668-F672 PolarHBondContact O-N 3.45Å
669R77.5Confident79.8Confident94 Ų9452.8 Ų52.836%0.35524%0.235SC..Hα-helixtrans-61.3-42.2177.1-168.8178.368.4-178.22.5112.1D665 F666 K673D665-R669 WeakPolarHBondContact O-CB 3.4Å; D665-R669 PolarHBondContact O-N 3.49Å; F666-R669 PolarHBondContact O-N 2.86Å; R669-K673 VanDerWaalsContact O-CB 3.27Å; R669-K673 WeakPolarHBondContact O-CB 3.04Å; R669-K673 PolarHBondContact O-N 3.18Å
670D79.9Confident79.7Confident15 Ų1557.7 Ų57.78%0.0826%0.258CS..Hα-helixtrans-64.6-44.8175.3179.664.6000111.7L416 F666 L667 W668 F672 K673 R674L416-D670 VanDerWaalsContact CD2-OD2 3.25Å; L416-D670 WeakPolarHBondContact CD2-OD2 3.26Å; F666-D670 PolarHBondContact O-N 2.97Å; L667-D670 PolarHBondContact O-N 3.5Å; W668-D670 VanDerWaalsContact C-N 3.33Å; W668-D670 PolarHBondContact O-N 3.4Å; D670-F672 PolarHBondContact O-N 3.3Å; D670-K673 WeakPolarHBondContact O-CB 3.27Å; D670-K673 PolarHBondContact O-N 3.48Å; D670-R674 WeakPolarHBondContact O-CG 3.35Å; D670-R674 PolarHBondContact O-N 2.94Å; D670-R674 IonicContact OD1-NE 2.91Å; D670-R674 IonicContact OD1-NH2 2.63Å; D670-R674 IonicContact OD2-CZ 3.6Å; D670-R674 IonicContact OD2-NE 2.99Å; D670-R674 PolarHBondContact OD2-NE 3.43Å; D670-R674 IonicContact OD2-NH2 2.72Å; D670-R674 PolarHBondContact OD2-NH2 3.01Å
671K80.2Confident79.6Confident100 Ų10060.6 Ų60.644%0.43528%0.279SS..Hα-helixtrans-58.9-49.3177.7-173178.2177.3-178.10112.2L667 W668 K673 R674 E675L667-K671 WeakPolarHBondContact O-CB 3.25Å; L667-K671 PolarHBondContact O-N 2.97Å; W668-K671 HydrophobicContact CE3-CD 4.26Å; W668-K671 HydrophobicContact CZ3-CD 4.09Å; W668-K671 PolarHBondContact O-N 2.95Å; K671-K673 VanDerWaalsContact C-N 3.31Å; K671-K673 PolarHBondContact O-N 2.99Å; K671-R674 PolarHBondContact O-N 3.28Å; K671-E675 VanDerWaalsContact CE-OE1 3.31Å; K671-E675 WeakPolarHBondContact CE-OE1 3.4Å; K671-E675 WeakPolarHBondContact O-CG 3.23Å; K671-E675 PolarHBondContact O-N 3.49Å
672F77Confident79.4Confident12 Ų1256.8 Ų56.85%0.05327%0.266CS..Hα-helixtrans-65.1-35.1177.3-73.2-58.9000112.6C55 I56 T388 I392 W668 D670 E675 C676C55-F672 HydrophobicContact CB-CB 3.96Å; C55-F672 HydrophobicContact CB-CD2 4.2Å; C55-F672 HydrophobicContact CB-CG 4.19Å; I56-F672 HydrophobicContact CD1-CZ 4.3Å; I56-F672 HydrophobicContact CG1-CE1 3.97Å; I56-F672 HydrophobicContact CG1-CE2 4.18Å; I56-F672 HydrophobicContact CG1-CZ 3.7Å; T388-F672 HydrophobicContact CG2-CZ 4.23Å; I392-F672 HydrophobicContact CD1-CE2 4.44Å; I392-F672 HydrophobicContact CD1-CZ 4.22Å; W668-F672 HydrophobicContact CB-CD2 4.44Å; W668-F672 HydrophobicContact CB-CE2 4.3Å; W668-F672 AromaticContact CE3-CE2 3.91Å; W668-F672 HydrophobicContact CE3-CE2 3.91Å; W668-F672 HydrophobicContact CE3-CZ 4.17Å; W668-F672 HydrophobicContact CZ3-CZ 4.5Å; W668-F672 WeakPolarHBondContact O-CD2 3.36Å; W668-F672 PolarHBondContact O-N 3.45Å; D670-F672 PolarHBondContact O-N 3.3Å; F672-E675 PolarHBondContact O-N 3.24Å; F672-C676 WeakPolarHBondContact O-CB 3.36Å; F672-C676 PolarHBondContact O-N 3.35Å; F672-C676 PolarHBondContact O-SG 3.44Å
673K80.8Confident79.3Confident105 Ų10557.5 Ų57.546%0.45727%0.268SS..Hα-helixtrans-62.7-44.7175.4-175.7-177.2171.1-161.10111.2R669 D670 K671 C676 E677R669-K673 VanDerWaalsContact O-CB 3.27Å; R669-K673 WeakPolarHBondContact O-CB 3.04Å; R669-K673 PolarHBondContact O-N 3.18Å; D670-K673 WeakPolarHBondContact O-CB 3.27Å; D670-K673 PolarHBondContact O-N 3.48Å; K671-K673 VanDerWaalsContact C-N 3.31Å; K671-K673 PolarHBondContact O-N 2.99Å; K673-C676 WeakPolarHBondContact O-CB 3.39Å; K673-C676 PolarHBondContact O-N 3.35Å; K673-E677 WeakPolarHBondContact CE-OE1 3.36Å; K673-E677 IonicContact NZ-OE1 3.56Å; K673-E677 WeakPolarHBondContact O-CG 3.35Å; K673-E677 PolarHBondContact O-N 2.74Å
674R81.5Confident79.1Confident112 Ų11259.9 Ų59.942%0.42328%0.281SS..Hα-helixtrans-63.6-44.6175.4-67.2-177.5-161.1-175.95.8112.3L416 D670 K671 C676 E677 E678L416-R674 VanDerWaalsContact CD2-NH2 3.3Å; D670-R674 WeakPolarHBondContact O-CG 3.35Å; D670-R674 PolarHBondContact O-N 2.94Å; D670-R674 IonicContact OD1-NE 2.91Å; D670-R674 IonicContact OD1-NH2 2.63Å; D670-R674 IonicContact OD2-CZ 3.6Å; D670-R674 IonicContact OD2-NE 2.99Å; D670-R674 PolarHBondContact OD2-NE 3.43Å; D670-R674 IonicContact OD2-NH2 2.72Å; D670-R674 PolarHBondContact OD2-NH2 3.01Å; K671-R674 PolarHBondContact O-N 3.28Å; R674-C676 VanDerWaalsContact C-N 3.31Å; R674-C676 PolarHBondContact O-N 3.09Å; R674-E677 PolarHBondContact O-N 2.89Å; R674-E678 WeakPolarHBondContact O-CG 3.36Å; R674-E678 PolarHBondContact O-N 3.35Å
675E79.5Confident79.1Confident73 Ų7358.3 Ų58.334%0.34127%0.272SS..Hα-helixtrans-59.2-41.6175.1-73.2176.7-173.500111.3K671 F672 E678 I679K671-E675 VanDerWaalsContact CE-OE1 3.31Å; K671-E675 WeakPolarHBondContact CE-OE1 3.4Å; K671-E675 WeakPolarHBondContact O-CG 3.23Å; K671-E675 PolarHBondContact O-N 3.49Å; F672-E675 PolarHBondContact O-N 3.24Å; E675-E678 PolarHBondContact O-N 3.29Å; E675-I679 WeakPolarHBondContact O-CD1 3.22Å; E675-I679 VanDerWaalsContact O-CG1 3.23Å; E675-I679 WeakPolarHBondContact O-CG1 3.4Å; E675-I679 PolarHBondContact O-N 2.9Å
676C80.1Confident78.9Confident24 Ų2457 Ų5716%0.16227%0.265CS..Hα-helixtrans-60.6-47.9172.8-81.60000112.6P59 F672 K673 R674 E678 I679 E680P59-C676 VanDerWaalsContact CD-SG 3.57Å; P59-C676 VanDerWaalsContact CG-SG 3.53Å; F672-C676 WeakPolarHBondContact O-CB 3.36Å; F672-C676 PolarHBondContact O-N 3.35Å; F672-C676 PolarHBondContact O-SG 3.44Å; K673-C676 WeakPolarHBondContact O-CB 3.39Å; K673-C676 PolarHBondContact O-N 3.35Å; R674-C676 VanDerWaalsContact C-N 3.31Å; R674-C676 PolarHBondContact O-N 3.09Å; C676-E678 VanDerWaalsContact C-N 3.32Å; C676-E678 PolarHBondContact O-N 2.77Å; C676-I679 PolarHBondContact O-N 3.47Å; C676-E680 WeakPolarHBondContact O-CB 3.46Å; C676-E680 PolarHBondContact O-N 3.11Å
677E82.8Confident78.8Confident98 Ų9861.4 Ų61.446%0.45828%0.282SS..Hα-helixtrans-61.4-40.3179.3-73171.7-177.300111.2K673 R674 E680 T681K673-E677 WeakPolarHBondContact CE-OE1 3.36Å; K673-E677 IonicContact NZ-OE1 3.56Å; K673-E677 WeakPolarHBondContact O-CG 3.35Å; K673-E677 PolarHBondContact O-N 2.74Å; R674-E677 PolarHBondContact O-N 2.89Å; E677-E680 PolarHBondContact O-N 3.36Å; E677-T681 WeakPolarHBondContact O-CB 3.35Å; E677-T681 WeakPolarHBondContact O-CG2 3.39Å; E677-T681 PolarHBondContact O-N 3.46Å; E677-T681 PolarHBondContact O-OG1 3.37Å
678E81.8Confident78.6Confident135 Ų13563.4 Ų63.463%0.63130%0.295SS*.Hα-helixtrans-64.2-40.3173.9-74.1-179.3-171.300112.8R674 E675 C676 T681 M682R674-E678 WeakPolarHBondContact O-CG 3.36Å; R674-E678 PolarHBondContact O-N 3.35Å; E675-E678 PolarHBondContact O-N 3.29Å; C676-E678 VanDerWaalsContact C-N 3.32Å; C676-E678 PolarHBondContact O-N 2.77Å; E678-T681 WeakPolarHBondContact CA-OG1 3.4Å; E678-T681 PolarHBondContact O-OG1 2.91Å; E678-M682 WeakPolarHBondContact O-CB 3.23Å; E678-M682 PolarHBondContact O-N 2.94Å
679I78Confident78.6Confident24 Ų2461.7 Ų61.712%0.12329%0.289CS..Hα-helixtrans-70.1-43.2177-62.5163.4000110.7P59 L62 K66 E675 C676 M682 E683P59-I679 HydrophobicContact CB-CD1 3.84Å; L62-I679 HydrophobicContact CB-CB 4.34Å; L62-I679 HydrophobicContact CB-CG2 3.46Å; L62-I679 VanDerWaalsContact CB-CG2 3.46Å; K66-I679 HydrophobicContact CB-CG2 4.41Å; K66-I679 HydrophobicContact CD-CG2 4.42Å; E675-I679 WeakPolarHBondContact O-CD1 3.22Å; E675-I679 VanDerWaalsContact O-CG1 3.23Å; E675-I679 WeakPolarHBondContact O-CG1 3.4Å; E675-I679 PolarHBondContact O-N 2.9Å; C676-I679 PolarHBondContact O-N 3.47Å; I679-M682 WeakPolarHBondContact O-CB 3.41Å; I679-M682 PolarHBondContact O-N 3.48Å; I679-E683 WeakPolarHBondContact O-CB 3.45Å; I679-E683 PolarHBondContact O-N 2.87Å
680E80.4Confident78.5Confident104 Ų10457.4 Ų57.449%0.48627%0.273SS..Hα-helixtrans-64.7-42.1179.4-176.9178.1-179.900111.8C676 E677 M682 E683 N684C676-E680 WeakPolarHBondContact O-CB 3.46Å; C676-E680 PolarHBondContact O-N 3.11Å; E677-E680 PolarHBondContact O-N 3.36Å; E680-M682 VanDerWaalsContact C-N 3.31Å; E680-M682 PolarHBondContact O-N 3.3Å; E680-E683 PolarHBondContact O-N 3.45Å; E680-N684 WeakPolarHBondContact O-CB 3.29Å; E680-N684 PolarHBondContact O-N 3.02Å; E680-N684 PolarHBondContact O-ND2 2.88Å; E680-N684 VanDerWaalsContact O-ND2 3.15Å
681T79.4Confident78.2Confident92 Ų9261.3 Ų61.356%0.56429%0.291SS*.Hα-helixtrans-61.1-40.4173.952.20000111.9E677 E678 L685E677-T681 WeakPolarHBondContact O-CB 3.35Å; E677-T681 WeakPolarHBondContact O-CG2 3.39Å; E677-T681 PolarHBondContact O-N 3.46Å; E677-T681 PolarHBondContact O-OG1 3.37Å; E678-T681 WeakPolarHBondContact CA-OG1 3.4Å; E678-T681 PolarHBondContact O-OG1 2.91Å; T681-L685 WeakPolarHBondContact O-CB 3.44Å; T681-L685 PolarHBondContact O-N 2.89Å
682M74.8Confident78.1Confident41 Ų4159 Ų5920%0.20228%0.283CS..Hα-helixtrans-68.2-37.4175.5-171.964.463.200112.8K66 I90 E678 I679 E680 L685 N686K66-M682 HydrophobicContact CD-CB 4.3Å; K66-M682 HydrophobicContact CD-CG 3.83Å; K66-M682 HydrophobicContact CG-CG 4.21Å; I90-M682 HydrophobicContact CD1-CE 4.1Å; E678-M682 WeakPolarHBondContact O-CB 3.23Å; E678-M682 PolarHBondContact O-N 2.94Å; I679-M682 WeakPolarHBondContact O-CB 3.41Å; I679-M682 PolarHBondContact O-N 3.48Å; E680-M682 VanDerWaalsContact C-N 3.31Å; E680-M682 PolarHBondContact O-N 3.3Å; M682-L685 WeakPolarHBondContact O-CB 3.41Å; M682-L685 PolarHBondContact O-N 2.92Å; M682-L685 HydrophobicContact SD-CD2 4.05Å; M682-N686 PolarHBondContact O-N 3Å; M682-N686 PolarHBondContact O-ND2 2.89Å
683E77.4Confident78.1Confident33 Ų3359.2 Ų59.215%0.15429%0.285CS..Hα-helixtrans-63.6-48.4174.7-168.1-164158.400111L62 Q69 I679 E680 L685 N686 R687L62-E683 WeakPolarHBondContact CD2-OE2 3.48Å; Q69-E683 VanDerWaalsContact NE2-CG 3.28Å; Q69-E683 PolarHBondContact OE1-O 2.84Å; I679-E683 WeakPolarHBondContact O-CB 3.45Å; I679-E683 PolarHBondContact O-N 2.87Å; E680-E683 PolarHBondContact O-N 3.45Å; E683-L685 VanDerWaalsContact C-N 3.28Å; E683-L685 PolarHBondContact O-N 3.42Å; E683-N686 PolarHBondContact O-N 3.35Å; E683-R687 PolarHBondContact O-N 2.78Å
684N78.7Confident77.8Confident52 Ų5254.4 Ų54.428%0.27826%0.264SS..Hα-helixtrans-59-40.5176-74.5-40.4000111.4E680 R687 V688E680-N684 WeakPolarHBondContact O-CB 3.29Å; E680-N684 PolarHBondContact O-N 3.02Å; E680-N684 PolarHBondContact O-ND2 2.88Å; E680-N684 VanDerWaalsContact O-ND2 3.15Å; N684-R687 PolarHBondContact O-N 3.41Å; N684-R687 VanDerWaalsContact OD1-CZ 3.24Å; N684-R687 PolarHBondContact OD1-NH1 3.31Å; N684-R687 VanDerWaalsContact OD1-NH1 3.08Å; N684-R687 PolarHBondContact OD1-NH2 2.9Å; N684-V688 WeakPolarHBondContact O-CG2 3.26Å; N684-V688 PolarHBondContact O-N 3.4Å; N684-V688 VanDerWaalsContact O-N 3.08Å
685L77.2Confident77.7Confident8 Ų849.1 Ų49.14%0.04225%0.245CC..Hα-helixtrans-60.8-48.8174.2176.766000112.1K86 I89 I90 T681 M682 E683 R687 V688 L689K86-L685 HydrophobicContact CB-CD2 4.21Å; K86-L685 HydrophobicContact CG-CD2 4.02Å; I89-L685 HydrophobicContact CB-CD1 3.65Å; I89-L685 HydrophobicContact CD1-CD1 3.97Å; I89-L685 HydrophobicContact CG1-CD1 4.43Å; I89-L685 HydrophobicContact CG2-CD1 3.26Å; I90-L685 HydrophobicContact CD1-CD2 3.88Å; I90-L685 HydrophobicContact CG1-CD2 3.68Å; T681-L685 WeakPolarHBondContact O-CB 3.44Å; T681-L685 PolarHBondContact O-N 2.89Å; M682-L685 WeakPolarHBondContact O-CB 3.41Å; M682-L685 PolarHBondContact O-N 2.92Å; M682-L685 HydrophobicContact SD-CD2 4.05Å; E683-L685 VanDerWaalsContact C-N 3.28Å; E683-L685 PolarHBondContact O-N 3.42Å; L685-R687 VanDerWaalsContact C-N 3.3Å; L685-R687 PolarHBondContact O-N 3.45Å; L685-V688 PolarHBondContact O-N 2.66Å; L685-L689 HydrophobicContact CG-CD1 4.42Å; L685-L689 WeakPolarHBondContact O-CG 3.3Å; L685-L689 PolarHBondContact O-N 2.94Å; L685-L689 VanDerWaalsContact O-N 3.09Å
686N74.7Confident77.4Confident2 Ų248.6 Ų48.61%0.01125%0.253CS..Hα-helixtrans-63-37.1178.2-74.1-27.6000112Q69 E70 K86 M682 E683 L689 L690Q69-N686 HydrophobicContact CB-CB 3.81Å; Q69-N686 VanDerWaalsContact OE1-CB 3.31Å; E70-N686 WeakPolarHBondContact CG-ND2 3.41Å; K86-N686 WeakPolarHBondContact CE-OD1 3.38Å; K86-N686 PolarHBondContact NZ-OD1 2.98Å; M682-N686 PolarHBondContact O-N 3Å; M682-N686 PolarHBondContact O-ND2 2.89Å; E683-N686 PolarHBondContact O-N 3.35Å; N686-L689 PolarHBondContact O-N 3.33Å; N686-L690 WeakPolarHBondContact O-CB 3.47Å; N686-L690 PolarHBondContact O-N 2.73Å
687R76Confident77.1Confident100 Ų10050.2 Ų50.238%0.37726%0.258SS..Hα-helixtrans-62-47.6176-175.1175.668.7-130.6-6.4111.5E683 N684 L685 L689 L690 E691E683-R687 PolarHBondContact O-N 2.78Å; N684-R687 PolarHBondContact O-N 3.41Å; N684-R687 VanDerWaalsContact OD1-CZ 3.24Å; N684-R687 PolarHBondContact OD1-NH1 3.31Å; N684-R687 VanDerWaalsContact OD1-NH1 3.08Å; N684-R687 PolarHBondContact OD1-NH2 2.9Å; L685-R687 VanDerWaalsContact C-N 3.3Å; L685-R687 PolarHBondContact O-N 3.45Å; R687-L689 VanDerWaalsContact C-N 3.3Å; R687-L689 PolarHBondContact O-N 3.49Å; R687-L690 WeakPolarHBondContact O-CB 3.48Å; R687-L690 PolarHBondContact O-N 2.98Å; R687-L690 VanDerWaalsContact O-N 3.08Å; R687-E691 HydrophobicContact CG-CG 4.48Å; R687-E691 WeakPolarHBondContact CG-OE1 3.33Å; R687-E691 IonicContact NE-OE1 3.93Å; R687-E691 WeakPolarHBondContact O-CG 3.48Å; R687-E691 PolarHBondContact O-N 3.4Å
688V77.4Confident76.7Confident68 Ų6845.6 Ų45.641%0.41224%0.236SC..Hα-helixtrans-59.4-42.1176.4171.30000111.3N684 L685 L690 N692N684-V688 WeakPolarHBondContact O-CG2 3.26Å; N684-V688 PolarHBondContact O-N 3.4Å; N684-V688 VanDerWaalsContact O-N 3.08Å; L685-V688 PolarHBondContact O-N 2.66Å; V688-L690 VanDerWaalsContact C-N 3.29Å; V688-L690 PolarHBondContact O-N 3Å; V688-N692 PolarHBondContact O-N 3.21Å; V688-N692 VanDerWaalsContact O-N 3.13Å; V688-N692 PolarHBondContact O-ND2 3.07Å
689L76.2Confident76.3Confident3 Ų339.3 Ų39.32%0.01621%0.208CC..Hα-helixtrans-63-36.7175.9-71.7174.7000112.4L73 K86 I89 W230 L685 N686 R687 N692L73-L689 HydrophobicContact CD1-CB 3.89Å; L73-L689 HydrophobicContact CD1-CD1 4.25Å; L73-L689 HydrophobicContact CD2-CD1 3.72Å; K86-L689 HydrophobicContact CG-CD1 3.85Å; I89-L689 HydrophobicContact CD1-CD2 3.58Å; I89-L689 HydrophobicContact CD1-CG 4.27Å; W230-L689 HydrophobicContact CE3-CD2 4.29Å; W230-L689 HydrophobicContact CH2-CD2 4.33Å; W230-L689 HydrophobicContact CZ3-CD2 3.52Å; L685-L689 HydrophobicContact CG-CD1 4.42Å; L685-L689 WeakPolarHBondContact O-CG 3.3Å; L685-L689 PolarHBondContact O-N 2.94Å; L685-L689 VanDerWaalsContact O-N 3.09Å; N686-L689 PolarHBondContact O-N 3.33Å; R687-L689 VanDerWaalsContact C-N 3.3Å; R687-L689 PolarHBondContact O-N 3.49Å; L689-N692 PolarHBondContact O-N 3.16Å
690L74Confident75.8Confident5 Ų544.9 Ų44.93%0.02623%0.233CC..Hα-helixtrans-73.6-42.5-179.2-173.963.4000112.7L72 L76 N686 R687 V688 N692 V693 L694 L703L72-L690 HydrophobicContact CD1-CD1 4.36Å; L72-L690 HydrophobicContact CD2-CD1 3.6Å; L72-L690 HydrophobicContact CD2-CD2 3.39Å; L72-L690 HydrophobicContact CD2-CG 4.14Å; L72-L690 HydrophobicContact CG-CD1 3.62Å; L72-L690 HydrophobicContact CG-CD2 4.29Å; L76-L690 HydrophobicContact CD1-CD1 3.76Å; N686-L690 WeakPolarHBondContact O-CB 3.47Å; N686-L690 PolarHBondContact O-N 2.73Å; R687-L690 WeakPolarHBondContact O-CB 3.48Å; R687-L690 PolarHBondContact O-N 2.98Å; R687-L690 VanDerWaalsContact O-N 3.08Å; V688-L690 VanDerWaalsContact C-N 3.29Å; V688-L690 PolarHBondContact O-N 3Å; L690-N692 PolarHBondContact O-N 3.18Å; L690-V693 PolarHBondContact O-N 3.22Å; L690-L694 HydrophobicContact CD1-CD1 4.26Å; L690-L694 PolarHBondContact O-N 3.09Å; L690-L703 HydrophobicContact CD2-CD1 3.52Å; L690-L703 HydrophobicContact CD2-CD2 3.78Å; L690-L703 HydrophobicContact CD2-CG 4.11Å; L690-L703 HydrophobicContact CG-CD1 4.5Å
691E75.3Confident75.3Confident97 Ų9742.6 Ų42.645%0.45322%0.222SC..Hα-helixtrans-61.9-27173.2-71.6172.7-172.600111.9R687 V693R687-E691 HydrophobicContact CG-CG 4.48Å; R687-E691 WeakPolarHBondContact CG-OE1 3.33Å; R687-E691 IonicContact NE-OE1 3.93Å; R687-E691 WeakPolarHBondContact O-CG 3.48Å; R687-E691 PolarHBondContact O-N 3.4Å; E691-V693 VanDerWaalsContact C-N 3.32Å
692N77.7Confident74.6Confident50 Ų5039.6 Ų39.627%0.26720%0.202SC..THydrogen-bonded Turntrans-74.3-17.6172.8-82.4-22.6000113.9K229 V688 L689 L690K229-N692 WeakPolarHBondContact CA-O 3.34Å; K229-N692 PolarHBondContact N-O 3.34Å; V688-N692 PolarHBondContact O-N 3.21Å; V688-N692 VanDerWaalsContact O-N 3.13Å; V688-N692 PolarHBondContact O-ND2 3.07Å; L689-N692 PolarHBondContact O-N 3.16Å; L690-N692 PolarHBondContact O-N 3.18Å
693V76Confident74.1Confident17 Ų1741.6 Ų41.610%0.10321%0.213CC..THydrogen-bonded Turntrans-100.1-41.2179.5-178.20000112.2L76 L690 E691L76-V693 HydrophobicContact CB-CG1 4.21Å; L76-V693 HydrophobicContact CD1-CB 3.96Å; L76-V693 HydrophobicContact CD1-CG1 3.7Å; L76-V693 HydrophobicContact CD1-CG2 4.3Å; L76-V693 HydrophobicContact CD2-CG1 3.89Å; L76-V693 HydrophobicContact CG-CG1 4.12Å; L690-V693 PolarHBondContact O-N 3.22Å; E691-V693 VanDerWaalsContact C-N 3.32Å
694L75.6Confident73.2Confident4 Ų441.4 Ų41.42%0.02122%0.22CC..SBendtrans-107.8147.2-179.4-63.2172.4000111.3F336 L690 A699F336-L694 HydrophobicContact CE1-CD1 4.34Å; F336-L694 HydrophobicContact CZ-CD1 3.74Å; L690-L694 HydrophobicContact CD1-CD1 4.26Å; L690-L694 PolarHBondContact O-N 3.09Å; L694-A699 HydrophobicContact CB-CB 4.42Å
695P78.4Confident71.8Confident1 Ų149.6 Ų49.61%0.00625%0.247CC..  trans-57.9145.5170-18.329.3000111.6K229 H697 V698 A699 Y852K229-P695 VanDerWaalsContact NZ-CA 3.27Å; K229-P695 VanDerWaalsContact NZ-N 3.11Å; P695-H697 VanDerWaalsContact C-N 3.34Å; P695-H697 VanDerWaalsContact CB-CE1 3.5Å; P695-H697 WeakPolarHBondContact CB-CE1 3.42Å; P695-H697 PolarHBondContact O-N 2.61Å; P695-V698 HydrophobicContact CB-CB 4.38Å; P695-V698 HydrophobicContact CB-CG2 3.97Å; P695-V698 HydrophobicContact CG-CB 4.48Å; P695-V698 HydrophobicContact CG-CG2 3.95Å; P695-V698 WeakPolarHBondContact O-CB 3.38Å; P695-V698 PolarHBondContact O-N 3.46Å; P695-A699 PolarHBondContact O-N 3.38Å; P695-Y852 HydrophobicContact CG-CD1 3.59Å; P695-Y852 HydrophobicContact CG-CD2 4.08Å; P695-Y852 HydrophobicContact CG-CE1 3.75Å; P695-Y852 HydrophobicContact CG-CE2 4.21Å; P695-Y852 HydrophobicContact CG-CG 3.75Å
696A72.8Confident70Confident63 Ų6356.1 Ų56.152%0.52128%0.282SS..Hα-helixtrans-56.2-44.9-174.700000113V698 A699 E700A696-V698 VanDerWaalsContact C-N 3.28Å; A696-V698 PolarHBondContact O-N 3.2Å; A696-A699 PolarHBondContact O-N 3.17Å; A696-E700 WeakPolarHBondContact O-CG 3.23Å; A696-E700 PolarHBondContact O-N 3.39Å
697H74.4Confident68.5Low58 Ų5863.6 Ų63.627%0.26931%0.31SS..Hα-helixtrans-64-31.1178.164-92.4000113.2P695 H701 Y713P695-H697 VanDerWaalsContact C-N 3.34Å; P695-H697 VanDerWaalsContact CB-CE1 3.5Å; P695-H697 WeakPolarHBondContact CB-CE1 3.42Å; P695-H697 PolarHBondContact O-N 2.61Å; H697-H701 PolarHBondContact O-N 3.13Å; H697-Y713 PolarHBondContact CD2-OH 2.66Å
698V74.9Confident66.8Low0 Ų067.9 Ų67.90%033%0.331CS..Hα-helixtrans-77.1-42.4175.3-177.60000110.2P695 A696 E700 H701 F702 Y713 V844 Y852P695-V698 HydrophobicContact CB-CB 4.38Å; P695-V698 HydrophobicContact CB-CG2 3.97Å; P695-V698 HydrophobicContact CG-CB 4.48Å; P695-V698 HydrophobicContact CG-CG2 3.95Å; P695-V698 WeakPolarHBondContact O-CB 3.38Å; P695-V698 PolarHBondContact O-N 3.46Å; A696-V698 VanDerWaalsContact C-N 3.28Å; A696-V698 PolarHBondContact O-N 3.2Å; V698-E700 VanDerWaalsContact C-N 3.32Å; V698-E700 PolarHBondContact O-N 3.24Å; V698-H701 WeakPolarHBondContact O-CB 3.5Å; V698-H701 PolarHBondContact O-N 3.05Å; V698-H701 VanDerWaalsContact O-N 3.14Å; V698-F702 HydrophobicContact CG1-CD2 3.89Å; V698-F702 HydrophobicContact CG1-CE2 3.72Å; V698-F702 VanDerWaalsContact O-CD2 3.24Å; V698-F702 WeakPolarHBondContact O-CD2 3.24Å; V698-F702 PolarHBondContact O-N 2.85Å; V698-Y713 HydrophobicContact CG1-CD1 4.36Å; V698-Y713 HydrophobicContact CG2-CD1 4.31Å; V698-Y713 HydrophobicContact CG2-CE1 3.79Å; V698-V844 HydrophobicContact CG1-CG2 3.5Å; V698-V844 VanDerWaalsContact CG1-CG2 3.5Å; V698-Y852 HydrophobicContact CG2-CD2 3.74Å; V698-Y852 HydrophobicContact CG2-CE2 3.77Å
699A72.3Confident65.2Low4 Ų468.8 Ų68.83%0.03333%0.334CS..Hα-helixtrans-59.4-44.7175.800000110.5L694 P695 A696 H701 F702 L703L694-A699 HydrophobicContact CB-CB 4.42Å; P695-A699 PolarHBondContact O-N 3.38Å; A696-A699 PolarHBondContact O-N 3.17Å; A699-H701 VanDerWaalsContact C-N 3.31Å; A699-H701 PolarHBondContact O-N 3.23Å; A699-F702 PolarHBondContact O-N 3.39Å; A699-L703 HydrophobicContact CB-CD1 4.04Å; A699-L703 WeakPolarHBondContact O-CB 3.46Å; A699-L703 WeakPolarHBondContact O-CG 3.33Å; A699-L703 PolarHBondContact O-N 3.27Å
700E68.7Low64Low141 Ų14173.4 Ų73.466%0.65936%0.355SS*.Hα-helixtrans-60.3-36.6173.7-76-178.7-172.100113.1A696 V698 F702 G704A696-E700 WeakPolarHBondContact O-CG 3.23Å; A696-E700 PolarHBondContact O-N 3.39Å; V698-E700 VanDerWaalsContact C-N 3.32Å; V698-E700 PolarHBondContact O-N 3.24Å; E700-F702 VanDerWaalsContact C-N 3.33Å; E700-F702 PolarHBondContact O-N 3.4Å; E700-G704 WeakPolarHBondContact O-CA 3.28Å; E700-G704 PolarHBondContact O-N 2.93Å
701H69.3Low63.2Low55 Ų5578.2 Ų78.226%0.25538%0.381SS..Hα-helixtrans-62.4-39.1176.1-178.9-85.8000112.4H697 V698 A699 N709 Y713H697-H701 PolarHBondContact O-N 3.13Å; V698-H701 WeakPolarHBondContact O-CB 3.5Å; V698-H701 PolarHBondContact O-N 3.05Å; V698-H701 VanDerWaalsContact O-N 3.14Å; A699-H701 VanDerWaalsContact C-N 3.31Å; A699-H701 PolarHBondContact O-N 3.23Å; H701-N709 PolarHBondContact NE2-ND2 2.86Å; H701-Y713 HydrophobicContact CB-CD2 4.32Å; H701-Y713 AromaticContact CG-CD2 3.88Å
702F65.5Low63.1Low30 Ų3074.5 Ų74.513%0.13236%0.364CS..Hα-helixtrans-90.7-29-179.1-69.3-71.4000114.2F336 V698 A699 E700 Y713 V844F336-F702 HydrophobicContact CD2-CB 4.5Å; F336-F702 AromaticContact CD2-CD1 3.45Å; F336-F702 HydrophobicContact CD2-CD1 3.45Å; F336-F702 VanDerWaalsContact CD2-CD1 3.45Å; F336-F702 HydrophobicContact CD2-CD2 4.04Å; F336-F702 AromaticContact CD2-CE1 3.51Å; F336-F702 HydrophobicContact CD2-CE1 3.51Å; F336-F702 HydrophobicContact CD2-CE2 4.11Å; F336-F702 AromaticContact CD2-CG 3.73Å; F336-F702 HydrophobicContact CD2-CG 3.73Å; F336-F702 AromaticContact CD2-CZ 3.84Å; F336-F702 HydrophobicContact CD2-CZ 3.84Å; F336-F702 AromaticContact CE2-CD1 3.94Å; F336-F702 HydrophobicContact CE2-CD1 3.94Å; F336-F702 AromaticContact CE2-CD2 3.64Å; F336-F702 HydrophobicContact CE2-CD2 3.64Å; F336-F702 AromaticContact CE2-CE1 3.94Å; F336-F702 HydrophobicContact CE2-CE1 3.94Å; F336-F702 AromaticContact CE2-CE2 3.65Å; F336-F702 HydrophobicContact CE2-CE2 3.65Å; F336-F702 AromaticContact CE2-CG 3.8Å; F336-F702 HydrophobicContact CE2-CG 3.8Å; F336-F702 AromaticContact CE2-CZ 3.79Å; F336-F702 HydrophobicContact CE2-CZ 3.79Å; F336-F702 HydrophobicContact CG-CD1 4.29Å; F336-F702 HydrophobicContact CZ-CD2 4.48Å; V698-F702 HydrophobicContact CG1-CD2 3.89Å; V698-F702 HydrophobicContact CG1-CE2 3.72Å; V698-F702 VanDerWaalsContact O-CD2 3.24Å; V698-F702 WeakPolarHBondContact O-CD2 3.24Å; V698-F702 PolarHBondContact O-N 2.85Å; A699-F702 PolarHBondContact O-N 3.39Å; E700-F702 VanDerWaalsContact C-N 3.33Å; E700-F702 PolarHBondContact O-N 3.4Å; F702-Y713 HydrophobicContact CE2-CG 4.47Å; F702-V844 HydrophobicContact CE2-CB 4.28Å; F702-V844 HydrophobicContact CE2-CG2 3.96Å; F702-V844 HydrophobicContact CZ-CB 4.37Å
703L64.4Low63.2Low82 Ų8272.9 Ų72.943%0.42936%0.355SS..Hα-helixtrans-95.5-17.9-179.5-59.9169.2000113L72 L690 A699L72-L703 HydrophobicContact CD2-CD2 4.33Å; L690-L703 HydrophobicContact CD2-CD1 3.52Å; L690-L703 HydrophobicContact CD2-CD2 3.78Å; L690-L703 HydrophobicContact CD2-CG 4.11Å; L690-L703 HydrophobicContact CG-CD1 4.5Å; A699-L703 HydrophobicContact CB-CD1 4.04Å; A699-L703 WeakPolarHBondContact O-CB 3.46Å; A699-L703 WeakPolarHBondContact O-CG 3.33Å; A699-L703 PolarHBondContact O-N 3.27Å
704G56.8Low63.5Low30 Ų3076.2 Ų76.231%0.30937%0.369SS..SBendtrans-63.3151.7-178.400000112.8E700 N706E700-G704 WeakPolarHBondContact O-CA 3.28Å; E700-G704 PolarHBondContact O-N 2.93Å; G704-N706 PolarHBondContact O-N 2.98Å
705R49.4Very low63.9Low224 Ų22479.3 Ų79.385%0.84538%0.383SS*.SBendtrans-67.7-2.1-177.9-74.3179.6173.3172.50.2114.8W707R705-W707 VanDerWaalsContact C-CD1 3.42Å; R705-W707 PolarHBondContact O-N 3.43Å
706N40.5Very low64.3Low144 Ų14482.7 Ų82.777%0.7741%0.407SS*.  trans-9078.9-179-77.1-12000111G704 K708G704-N706 PolarHBondContact O-N 2.98Å; N706-K708 PolarHBondContact O-N 3.45Å
707W42.1Very low65Low159 Ų15980.5 Ų80.560%0.60239%0.385SS*.THydrogen-bonded Turntrans-7022.5-173.2-55.9-10.3000116R705R705-W707 VanDerWaalsContact C-CD1 3.42Å; R705-W707 PolarHBondContact O-N 3.43Å
708K41.8Very low65.6Low190 Ų19085.6 Ų85.683%0.82641%0.409SS*.THydrogen-bonded Turntrans-100.5-13-176.2-71.6-170.4177.6-175.60114.6N706 E710N706-K708 PolarHBondContact O-N 3.45Å; K708-E710 VanDerWaalsContact C-N 3.33Å; K708-E710 PolarHBondContact O-N 3.47Å
709N43.2Very low66.3Low88 Ų8886.7 Ų86.747%0.47142%0.417SS..  trans-88.276.4-179.5-69.32.9000109.6H701 D711H701-N709 PolarHBondContact NE2-ND2 2.86Å; N709-D711 PolarHBondContact O-N 3.07Å
710E50.1Low67.3Low100 Ų10086.5 Ų86.547%0.46742%0.415SS..  trans-65.5-3.7161.8-70.2-166.8169.300111.8K334 S344 K708K334-E710 WeakPolarHBondContact CD-O 3.49Å; K334-E710 WeakPolarHBondContact CE-O 3.45Å; K334-E710 PolarHBondContact NZ-O 3.37Å; S344-E710 WeakPolarHBondContact CB-OE1 3.23Å; K708-E710 VanDerWaalsContact C-N 3.33Å; K708-E710 PolarHBondContact O-N 3.47Å
711D59.1Low68.6Low106 Ų10679.8 Ų79.857%0.56738%0.384SS*.SBendtrans-85.4145.8-173.4-64.5-31.5000112.6N709 Y713N709-D711 PolarHBondContact O-N 3.07Å; D711-Y713 PolarHBondContact O-N 3.05Å
712L72Confident69.9Low19 Ų1977.2 Ų77.210%0.09937%0.372CS..PPolyproline II helixtrans-56.3128.3174.3-69.6163.9000108.9V141 H142 N145 K334 P335 H714V141-L712 HydrophobicContact CG1-CB 4.04Å; V141-L712 HydrophobicContact CG1-CD1 4.36Å; H142-L712 HydrophobicContact CB-CD1 4.2Å; N145-L712 HydrophobicContact CB-CD1 3.85Å; N145-L712 HydrophobicContact CB-CD2 3.99Å; K334-L712 HydrophobicContact CB-CD2 4.48Å; K334-L712 HydrophobicContact CG-CD2 4.49Å; P335-L712 HydrophobicContact CG-CD2 3.8Å; L712-H714 PolarHBondContact O-N 2.79Å; L712-H714 VanDerWaalsContact O-N 3.13Å; L712-H714 PolarHBondContact O-ND1 3.49Å
713Y78.9Confident71.4Confident16 Ų1675.8 Ų75.86%0.06337%0.366CS..PPolyproline II helixtrans-64.9118.1173.1178-92.4000108.9H697 V698 H701 F702 D711 Q715 G843 V844 Y852H697-Y713 PolarHBondContact CD2-OH 2.66Å; V698-Y713 HydrophobicContact CG1-CD1 4.36Å; V698-Y713 HydrophobicContact CG2-CD1 4.31Å; V698-Y713 HydrophobicContact CG2-CE1 3.79Å; H701-Y713 HydrophobicContact CB-CD2 4.32Å; H701-Y713 AromaticContact CG-CD2 3.88Å; F702-Y713 HydrophobicContact CE2-CG 4.47Å; D711-Y713 PolarHBondContact O-N 3.05Å; Y713-Q715 PolarHBondContact OH-OE1 2.93Å; Y713-G843 WeakPolarHBondContact O-CA 3.32Å; Y713-V844 HydrophobicContact CD1-CG2 3.98Å; Y713-V844 HydrophobicContact CG-CG2 4.49Å; Y713-V844 PolarHBondContact O-N 2.65Å; Y713-V844 VanDerWaalsContact O-N 3.07Å; Y713-Y852 HydrophobicContact CE1-CD2 4.47Å; Y713-Y852 HydrophobicContact CE1-CE2 4.08Å
714H83.5Confident73Confident86 Ų8672.6 Ų72.640%0.39835%0.348SS..EExtended strand (participates in β ladder)trans-145.8141.6173.765.1-75.8000108.9G138 V141 L712 A842G138-H714 VanDerWaalsContact CA-CD2 3.49Å; G138-H714 WeakPolarHBondContact CA-CD2 3.13Å; V141-H714 HydrophobicContact CB-CB 4.1Å; V141-H714 HydrophobicContact CG1-CB 4.28Å; V141-H714 HydrophobicContact CG2-CB 3.79Å; L712-H714 PolarHBondContact O-N 2.79Å; L712-H714 VanDerWaalsContact O-N 3.13Å; L712-H714 PolarHBondContact O-ND1 3.49Å; H714-A842 CarbonylContact C-O 3.58Å; H714-A842 VanDerWaalsContact CA-O 3.32Å; H714-A842 WeakPolarHBondContact CA-O 3.42Å
715Q84.5Confident74.9Confident70 Ų7071.2 Ų71.233%0.32733%0.334SS..EExtended strand (participates in β ladder)trans-145.3132.8177.6-172.5167.3-12.500109.4Y713 Y717 A842Y713-Q715 PolarHBondContact OH-OE1 2.93Å; Q715-Y717 HydrophobicContact CB-CE2 3.8Å; Q715-Y717 VanDerWaalsContact CD-CZ 3.43Å; Q715-Y717 HydrophobicContact CG-CD2 4.28Å; Q715-Y717 HydrophobicContact CG-CE1 4.33Å; Q715-Y717 HydrophobicContact CG-CE2 3.64Å; Q715-Y717 PolarHBondContact NE2-OH 2.97Å; Q715-Y717 PolarHBondContact OE1-OH 3.38Å; Q715-A842 PolarHBondContact N-O 3.27Å; Q715-A842 PolarHBondContact O-N 2.97Å
716S85.8Confident77.1Confident72 Ų7260.7 Ų60.750%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-95.7134.3175.3-164.40000109.5
717Y87.9Confident79.6Confident16 Ų1653.9 Ų53.96%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-122133.7175.4-61-95.8000109.1Q715 V720 L785 P839 V840 A842Q715-Y717 HydrophobicContact CB-CE2 3.8Å; Q715-Y717 VanDerWaalsContact CD-CZ 3.43Å; Q715-Y717 HydrophobicContact CG-CD2 4.28Å; Q715-Y717 HydrophobicContact CG-CE1 4.33Å; Q715-Y717 HydrophobicContact CG-CE2 3.64Å; Q715-Y717 PolarHBondContact NE2-OH 2.97Å; Q715-Y717 PolarHBondContact OE1-OH 3.38Å; Y717-V720 VanDerWaalsContact CB-CG2 3.45Å; Y717-V720 HydrophobicContact CD1-CG2 4.43Å; Y717-V720 HydrophobicContact CG-CG2 3.99Å; Y717-L785 HydrophobicContact CD1-CD2 4.31Å; Y717-L785 HydrophobicContact CD2-CD2 3.77Å; Y717-L785 HydrophobicContact CE1-CD2 4.24Å; Y717-L785 WeakPolarHBondContact CE1-O 3.37Å; Y717-L785 HydrophobicContact CE2-CD2 3.7Å; Y717-L785 HydrophobicContact CG-CD2 4.07Å; Y717-L785 PolarHBondContact OH-O 3.25Å; Y717-P839 CarbonylContact O-C 3.59Å; Y717-P839 VanDerWaalsContact O-CA 3.26Å; Y717-P839 WeakPolarHBondContact O-CA 3.12Å; Y717-V840 HydrophobicContact CD2-CG2 4.43Å; Y717-V840 PolarHBondContact N-O 3.36Å; Y717-V840 PolarHBondContact O-N 2.96Å; Y717-A842 HydrophobicContact CD2-CB 4.25Å; Y717-A842 HydrophobicContact CE2-CB 3.67Å
718E86.9Confident81.8Confident165 Ų16547.7 Ų47.777%0.77124%0.239SC*.EExtended strand (participates in β ladder)trans-80.6-34.5-177-63.4-173.1165.600112.8G838 P839E718-G838 CarbonylContact O-C 3.6Å; E718-P839 VanDerWaalsContact O-CA 3.25Å; E718-P839 WeakPolarHBondContact O-CA 3.43Å
719S89.3Confident84Confident24 Ų2440.5 Ų40.517%0.16821%0.209CC..EExtended strand (participates in β ladder)trans-138.4102.5-176.7-170.40000110.2
720V93.2Very high86Confident0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-128.1134.5174.3171.10000108.4Y717 V722 A782 T783 L785 H837 G838 V840Y717-V720 VanDerWaalsContact CB-CG2 3.45Å; Y717-V720 HydrophobicContact CD1-CG2 4.43Å; Y717-V720 HydrophobicContact CG-CG2 3.99Å; V720-V722 HydrophobicContact CG1-CG2 4.05Å; V720-A782 HydrophobicContact CG1-CB 3.97Å; V720-T783 WeakPolarHBondContact CA-O 3.39Å; V720-T783 WeakPolarHBondContact CG1-O 3.49Å; V720-L785 HydrophobicContact CG1-CD2 4.16Å; V720-L785 HydrophobicContact CG1-CG 4.29Å; V720-L785 HydrophobicContact CG2-CD2 3.8Å; V720-L785 HydrophobicContact CG2-CG 4.44Å; V720-H837 CarbonylContact O-C 3.56Å; V720-H837 VanDerWaalsContact O-CA 3.26Å; V720-H837 WeakPolarHBondContact O-CA 3.22Å; V720-G838 PolarHBondContact N-O 3.24Å; V720-G838 PolarHBondContact O-N 3.15Å; V720-V840 HydrophobicContact CB-CG1 4.21Å; V720-V840 HydrophobicContact CB-CG2 3.52Å; V720-V840 HydrophobicContact CG1-CG1 4.45Å; V720-V840 HydrophobicContact CG1-CG2 3.85Å; V720-V840 HydrophobicContact CG2-CG2 3.43Å; V720-V840 VanDerWaalsContact CG2-CG2 3.43Å
721C95.3Very high87.4Confident0 Ų038.6 Ų38.60%020%0.195CC..EExtended strand (participates in β ladder)trans-92.6126.5172.7-165.50000109.4A782 T783 I804 M807 I835 H837C721-A782 CarbonylContact O-C 3.53Å; C721-A782 WeakPolarHBondContact O-CA 3.34Å; C721-T783 WeakPolarHBondContact CB-OG1 3.42Å; C721-T783 PolarHBondContact N-O 3.18Å; C721-T783 PolarHBondContact O-N 2.95Å; C721-I804 HydrophobicContact CB-CG1 4.06Å; C721-M807 HydrophobicContact CB-CB 4.43Å; C721-M807 WeakPolarHBondContact O-CE 3.48Å; C721-I835 WeakPolarHBondContact SG-CG2 3.29Å; C721-H837 HydrophobicContact CB-CB 4.35Å
722V96.8Very high88.4Confident0 Ų041.6 Ų41.60%021%0.206CC..EExtended strand (participates in β ladder)trans-117133.6-178.4-175.80000109.2V720 F724 M780 I835 N836 V840 I854 V859 A862V720-V722 HydrophobicContact CG1-CG2 4.05Å; V722-F724 HydrophobicContact CG1-CD2 4.22Å; V722-F724 HydrophobicContact CG1-CE2 3.83Å; V722-M780 HydrophobicContact CG1-CE 4.28Å; V722-I835 WeakPolarHBondContact O-CA 3.48Å; V722-N836 PolarHBondContact N-O 3.49Å; V722-N836 PolarHBondContact O-N 3.3Å; V722-N836 VanDerWaalsContact O-N 3.11Å; V722-V840 HydrophobicContact CG2-CG1 4.28Å; V722-I854 HydrophobicContact CG1-CD1 4.42Å; V722-I854 HydrophobicContact CG2-CD1 3.95Å; V722-V859 HydrophobicContact CG1-CG1 4.5Å; V722-V859 HydrophobicContact CG2-CG2 4.19Å; V722-A862 HydrophobicContact CB-CB 4.08Å; V722-A862 HydrophobicContact CG1-CB 4.08Å
723M97.4Very high89Confident0 Ų043.7 Ų43.70%022%0.215CC..EExtended strand (participates in β ladder)trans-122133.9177-179.2-175.572.100110.8A725 M780 A781 M807 F810 A811 L814 I833 G834 I835M723-A725 HydrophobicContact CE-CB 4.3Å; M723-M780 WeakPolarHBondContact O-CA 3.3Å; M723-A781 HydrophobicContact CE-CB 4.19Å; M723-A781 PolarHBondContact N-O 3.04Å; M723-A781 PolarHBondContact O-N 3.44Å; M723-A781 VanDerWaalsContact O-N 3.09Å; M723-M807 HydrophobicContact CB-CE 4.11Å; M723-M807 HydrophobicContact CB-CG 3.95Å; M723-M807 HydrophobicContact CB-SD 3.55Å; M723-M807 VanDerWaalsContact CB-SD 3.55Å; M723-M807 HydrophobicContact CE-SD 4.14Å; M723-M807 HydrophobicContact CG-SD 4.37Å; M723-M807 HydrophobicContact SD-SD 4.02Å; M723-F810 HydrophobicContact CE-CD1 3.66Å; M723-F810 HydrophobicContact CE-CE1 3.75Å; M723-A811 HydrophobicContact SD-CB 3.68Å; M723-L814 HydrophobicContact CE-CD1 3.48Å; M723-L814 VanDerWaalsContact CE-CD1 3.48Å; M723-L814 HydrophobicContact SD-CD1 4.3Å; M723-I833 HydrophobicContact CG-CG2 3.65Å; M723-I833 HydrophobicContact SD-CG2 3.84Å; M723-G834 WeakPolarHBondContact CA-O 3.36Å; M723-I835 HydrophobicContact CB-CG1 3.98Å; M723-I835 HydrophobicContact CG-CD1 4.3Å; M723-I835 HydrophobicContact CG-CG1 3.78Å; M723-I835 HydrophobicContact SD-CD1 4.41Å
724F97.4Very high89.3Confident15 Ų1543.9 Ų43.97%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-112.9121.4162.7-74.6-98000108.5V722 T778 M780 I833 G834 V859 A862 E866V722-F724 HydrophobicContact CG1-CD2 4.22Å; V722-F724 HydrophobicContact CG1-CE2 3.83Å; F724-T778 HydrophobicContact CB-CG2 4.39Å; F724-T778 HydrophobicContact CD1-CG2 3.97Å; F724-M780 HydrophobicContact CD1-CB 4.4Å; F724-M780 HydrophobicContact CD1-CG 4.37Å; F724-M780 HydrophobicContact CE1-CB 4.23Å; F724-M780 HydrophobicContact CE1-CG 3.92Å; F724-M780 HydrophobicContact CE1-SD 3.87Å; F724-M780 HydrophobicContact CE2-CE 4.32Å; F724-M780 HydrophobicContact CE2-CG 4.35Å; F724-M780 HydrophobicContact CZ-CE 3.86Å; F724-M780 HydrophobicContact CZ-CG 3.91Å; F724-M780 HydrophobicContact CZ-SD 3.67Å; F724-I833 CarbonylContact O-C 3.52Å; F724-I833 WeakPolarHBondContact O-CA 3.44Å; F724-G834 PolarHBondContact N-O 3Å; F724-G834 PolarHBondContact O-N 2.93Å; F724-V859 HydrophobicContact CE2-CG1 4.01Å; F724-V859 HydrophobicContact CZ-CG1 4Å; F724-A862 HydrophobicContact CD2-CB 3.86Å; F724-A862 HydrophobicContact CE2-CB 4.11Å; F724-E866 HydrophobicContact CB-CB 3.66Å; F724-E866 HydrophobicContact CB-CG 3.94Å
725A96.8Very high89.3Confident1 Ų142.8 Ų42.81%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-120107.4175.600000109M723 T778 Y779 L814 I833M723-A725 HydrophobicContact CE-CB 4.3Å; A725-T778 CarbonylContact O-C 3.55Å; A725-T778 WeakPolarHBondContact O-CA 3.29Å; A725-Y779 PolarHBondContact N-O 3.31Å; A725-Y779 PolarHBondContact O-N 3Å; A725-L814 HydrophobicContact CB-CD1 4.2Å; A725-I833 HydrophobicContact CB-CD1 4.29Å; A725-I833 HydrophobicContact CB-CG1 3.93Å; A725-I833 HydrophobicContact CB-CG2 4.45Å
726S95.7Very high89.1Confident4 Ų442.6 Ų42.63%0.02821%0.214CC..EExtended strand (participates in β ladder)trans-103.5156.1178.972.20000111.7P728 T778 L831 R832 E866S726-P728 WeakPolarHBondContact O-CD 3.18Å; S726-T778 WeakPolarHBondContact CB-OG1 3.06Å; S726-L831 WeakPolarHBondContact O-CA 3.32Å; S726-R832 PolarHBondContact N-O 3.24Å; S726-R832 PolarHBondContact O-N 3.28Å; S726-E866 WeakPolarHBondContact CB-OE1 3.24Å; S726-E866 PolarHBondContact OG-OE1 3.04Å
727I94.7Very high88.7Confident1 Ų141.3 Ų41.31%0.00521%0.205CC..  trans-11190.1167.3-52.1161.3000106.8F730 I753 S777 F829 L831I727-F730 HydrophobicContact CB-CB 4.13Å; I727-F730 HydrophobicContact CG2-CB 3.84Å; I727-F730 WeakPolarHBondContact O-CB 3.36Å; I727-F730 PolarHBondContact O-N 3.03Å; I727-I753 HydrophobicContact CD1-CD1 4.31Å; I727-I753 HydrophobicContact CD1-CG2 3.78Å; I727-S777 PolarHBondContact N-O 3.25Å; I727-S777 PolarHBondContact O-OG 3.04Å; I727-F829 HydrophobicContact CG2-CB 3.89Å; I727-F829 HydrophobicContact CG2-CD1 3.96Å; I727-F829 HydrophobicContact CG2-CG 4.13Å; I727-L831 HydrophobicContact CD1-CD2 4.49Å; I727-L831 HydrophobicContact CG1-CD2 3.59Å
728P88.3Confident88Confident28 Ų2847.1 Ų47.118%0.18224%0.237CC..THydrogen-bonded Turntrans-64-41.6-175.4-25.538.1000112.5S726 F730 K731 R832 L871S726-P728 WeakPolarHBondContact O-CD 3.18Å; P728-F730 PolarHBondContact O-N 3.1Å; P728-F730 VanDerWaalsContact O-N 3.1Å; P728-K731 PolarHBondContact O-N 2.95Å; P728-K731 VanDerWaalsContact O-N 3.09Å; P728-R832 HydrophobicContact CG-CB 3.86Å; P728-L871 HydrophobicContact CB-CD2 4.01Å; P728-L871 HydrophobicContact CG-CD2 3.61Å
729D86.3Confident87.2Confident39 Ų3945.4 Ų45.421%0.20924%0.238CC..THydrogen-bonded Turntrans-64.4-18.3-177.1-44.9-34000112.4K731 E732 F733 F829 K830D729-K731 PolarHBondContact O-N 3.14Å; D729-E732 PolarHBondContact O-N 3.17Å; D729-F733 PolarHBondContact O-N 2.87Å; D729-F829 HydrophobicContact CB-CD1 4.24Å; D729-K830 PolarHBondContact OD2-N 2.81Å; D729-K830 VanDerWaalsContact OD2-N 3.16Å
730F86.8Confident86.5Confident11 Ų1146.4 Ų46.45%0.04824%0.241CC..Hα-helixtrans-62.1-30.3175.5-170.6-92000112.2I727 P728 E732 F733 Y734 C746 L750 F829I727-F730 HydrophobicContact CB-CB 4.13Å; I727-F730 HydrophobicContact CG2-CB 3.84Å; I727-F730 WeakPolarHBondContact O-CB 3.36Å; I727-F730 PolarHBondContact O-N 3.03Å; P728-F730 PolarHBondContact O-N 3.1Å; P728-F730 VanDerWaalsContact O-N 3.1Å; F730-E732 VanDerWaalsContact C-N 3.34Å; F730-F733 HydrophobicContact CD2-CD1 4.07Å; F730-F733 AromaticContact CE2-CD1 3.91Å; F730-F733 HydrophobicContact CE2-CD1 3.91Å; F730-F733 HydrophobicContact CE2-CE1 4.23Å; F730-F733 PolarHBondContact O-N 2.88Å; F730-Y734 HydrophobicContact CE1-CD2 4.27Å; F730-Y734 WeakPolarHBondContact O-CB 3.36Å; F730-Y734 PolarHBondContact O-N 3.03Å; F730-C746 HydrophobicContact CZ-CB 4.29Å; F730-C746 WeakPolarHBondContact CZ-O 3.39Å; F730-L750 HydrophobicContact CD2-CD1 4.49Å; F730-L750 HydrophobicContact CE1-CB 4.38Å; F730-L750 HydrophobicContact CE1-CD2 3.96Å; F730-L750 HydrophobicContact CE2-CB 3.82Å; F730-L750 HydrophobicContact CE2-CD1 4.35Å; F730-L750 HydrophobicContact CZ-CB 3.63Å; F730-L750 HydrophobicContact CZ-CD1 4.43Å; F730-L750 HydrophobicContact CZ-CD2 4.05Å; F730-L750 HydrophobicContact CZ-CG 4.24Å; F730-F829 HydrophobicContact CD2-CE1 4.43Å
731K78.8Confident85.9Confident138 Ų13852.3 Ų52.360%0.627%0.267SS*.Hα-helixtrans-64.5-39.5176.8-71.2-175.2177-176.50112.1P728 D729P728-K731 PolarHBondContact O-N 2.95Å; P728-K731 VanDerWaalsContact O-N 3.09Å; D729-K731 PolarHBondContact O-N 3.14Å
732E80.3Confident85.2Confident169 Ų16955.3 Ų55.379%0.7928%0.281SS*.Hα-helixtrans-75.3-32.7177.7-64.5179.7-174.700111.5D729 F730D729-E732 PolarHBondContact O-N 3.17Å; F730-E732 VanDerWaalsContact C-N 3.34Å
733F84.1Confident84.5Confident63 Ų6355.3 Ų55.328%0.27628%0.281SS..Hα-helixtrans-68.9-33.8174.3174-99.4000113.3D729 F730 T735 C746 L749 F829D729-F733 PolarHBondContact O-N 2.87Å; F730-F733 HydrophobicContact CD2-CD1 4.07Å; F730-F733 AromaticContact CE2-CD1 3.91Å; F730-F733 HydrophobicContact CE2-CD1 3.91Å; F730-F733 HydrophobicContact CE2-CE1 4.23Å; F730-F733 PolarHBondContact O-N 2.88Å; F733-T735 PolarHBondContact O-N 3.47Å; F733-T735 VanDerWaalsContact O-N 3.12Å; F733-C746 HydrophobicContact CD1-CB 4.37Å; F733-C746 HydrophobicContact CE1-CB 3.94Å; F733-L749 HydrophobicContact CE1-CD2 3.85Å; F733-L749 HydrophobicContact CZ-CD2 3.73Å; F733-F829 HydrophobicContact CB-CE1 3.82Å; F733-F829 HydrophobicContact CB-CZ 4.18Å; F733-F829 HydrophobicContact CD1-CE1 4.31Å; F733-F829 AromaticContact CD1-CZ 3.89Å; F733-F829 HydrophobicContact CD1-CZ 3.89Å; F733-F829 HydrophobicContact CD2-CE1 4.29Å; F733-F829 AromaticContact CD2-CZ 3.89Å; F733-F829 HydrophobicContact CD2-CZ 3.89Å; F733-F829 HydrophobicContact CE1-CZ 4.23Å; F733-F829 HydrophobicContact CE2-CZ 4.23Å; F733-F829 AromaticContact CG-CE1 3.89Å; F733-F829 HydrophobicContact CG-CE1 3.89Å; F733-F829 AromaticContact CG-CZ 3.71Å; F733-F829 HydrophobicContact CG-CZ 3.71Å; F733-F829 HydrophobicContact CZ-CZ 4.4Å
734Y84.8Confident84Confident20 Ų2057.4 Ų57.48%0.07829%0.292CS..  trans-68.1111.2-177.4-176.5-100.7000110.6H237 F730 E736 C746 L747H237-Y734 AromaticContact CE1-CD1 3.27Å; H237-Y734 WeakPolarHBondContact CE1-CD1 3.43Å; H237-Y734 AromaticContact CE1-CE1 3.53Å; H237-Y734 PolarHBondContact CE1-O 3.44Å; H237-Y734 AromaticContact ND1-CD1 3.72Å; H237-Y734 AromaticContact ND1-CE1 3.51Å; H237-Y734 AromaticContact NE2-CD1 3.93Å; H237-Y734 PolarHBondContact NE2-O 3.24Å; F730-Y734 HydrophobicContact CE1-CD2 4.27Å; F730-Y734 WeakPolarHBondContact O-CB 3.36Å; F730-Y734 PolarHBondContact O-N 3.03Å; Y734-E736 HydrophobicContact CE1-CG 3.74Å; Y734-E736 WeakPolarHBondContact CE1-OE1 3.45Å; Y734-C746 HydrophobicContact CD2-CB 3.67Å; Y734-C746 HydrophobicContact CE2-CB 4.19Å; Y734-L747 HydrophobicContact CE2-CD2 4.39Å; Y734-L747 HydrophobicContact CE2-CG 4.33Å
735T83.7Confident83.6Confident63 Ų6359.2 Ų59.239%0.38730%0.3SS..  trans-130.1128.5-179.749.60000110.6F733 S737 N740F733-T735 PolarHBondContact O-N 3.47Å; F733-T735 VanDerWaalsContact O-N 3.12Å; T735-S737 PolarHBondContact O-N 3.44Å; T735-S737 VanDerWaalsContact O-N 3.12Å; T735-N740 PolarHBondContact OG1-ND2 3.27Å
736E79.9Confident83.2Confident65 Ų6559.2 Ų59.230%0.30430%0.3SS..  trans-87.751.8179.7-65.3-179.4-155.400111.2S236 H237 Y734S236-E736 PolarHBondContact OG-OE1 3.46Å; H237-E736 IonicContact CE1-OE1 2.71Å; H237-E736 IonicContact CG-OE1 3.22Å; H237-E736 PolarHBondContact N-OE1 3.07Å; H237-E736 VanDerWaalsContact N-OE1 3.09Å; H237-E736 IonicContact ND1-OE1 2.73Å; H237-E736 PolarHBondContact ND1-OE1 2.95Å; Y734-E736 HydrophobicContact CE1-CG 3.74Å; Y734-E736 WeakPolarHBondContact CE1-OE1 3.45Å
737S79.2Confident83Confident46 Ų4659.1 Ų59.132%0.32230%0.299SS..  trans-88.9154.8176.7670000112.1T735 V739 N740 K741 E742T735-S737 PolarHBondContact O-N 3.44Å; T735-S737 VanDerWaalsContact O-N 3.12Å; S737-V739 PolarHBondContact O-N 3.47Å; S737-N740 CarbonylContact O-C 3.51Å; S737-N740 PolarHBondContact O-N 2.85Å; S737-N740 PolarHBondContact OG-N 3.46Å; S737-K741 PolarHBondContact O-N 3.43Å; S737-E742 PolarHBondContact O-N 2.85Å
738D71.4Confident82.8Confident137 Ų13762.5 Ų62.573%0.73331%0.312SS*.THydrogen-bonded Turntrans-57-34.1175-67.9-26.9000112.1N740 K741D738-N740 VanDerWaalsContact C-N 3.32Å; D738-N740 PolarHBondContact O-N 2.85Å; D738-K741 PolarHBondContact O-N 2.9Å; D738-K741 VanDerWaalsContact O-N 3.09Å
739V71.6Confident83Confident130 Ų13062.6 Ų62.679%0.78831%0.311SS*.THydrogen-bonded Turntrans-62.7-39.8176.6-178.50000111.2S737 K741S737-V739 PolarHBondContact O-N 3.47Å; V739-K741 PolarHBondContact O-N 3.34Å
740N74.6Confident83.3Confident44 Ų4460.7 Ų60.724%0.23530%0.301CS..THydrogen-bonded Turntrans-85.714176.9-73.1-18.3000113.2T735 S737 D738 E742 G743 L744 E745T735-N740 PolarHBondContact OG1-ND2 3.27Å; S737-N740 CarbonylContact O-C 3.51Å; S737-N740 PolarHBondContact O-N 2.85Å; S737-N740 PolarHBondContact OG-N 3.46Å; D738-N740 VanDerWaalsContact C-N 3.32Å; D738-N740 PolarHBondContact O-N 2.85Å; N740-E742 PolarHBondContact O-N 3.33Å; N740-G743 PolarHBondContact O-N 2.73Å; N740-L744 PolarHBondContact O-N 3.05Å; N740-E745 PolarHBondContact O-N 3.36Å
741K80.1Confident83.6Confident124 Ų12460.3 Ų60.354%0.53930%0.299SS..THydrogen-bonded Turntrans48.445.6-172.3-58.3178.2-170.5154.90111.1S737 D738 V739 G743 L744 E745S737-K741 PolarHBondContact O-N 3.43Å; D738-K741 PolarHBondContact O-N 2.9Å; D738-K741 VanDerWaalsContact O-N 3.09Å; V739-K741 PolarHBondContact O-N 3.34Å; K741-G743 VanDerWaalsContact C-N 3.32Å; K741-G743 PolarHBondContact O-N 3.02Å; K741-L744 HydrophobicContact CB-CB 4.23Å; K741-L744 PolarHBondContact O-N 2.69Å; K741-E745 HydrophobicContact CD-CG 4.43Å; K741-E745 WeakPolarHBondContact CD-OE1 3.35Å; K741-E745 WeakPolarHBondContact CE-OE1 3.18Å; K741-E745 IonicContact NZ-OE1 3.08Å; K741-E745 PolarHBondContact NZ-OE1 3.24Å
742E80.1Confident84.2Confident63 Ų6354.8 Ų54.829%0.29428%0.276SS..THydrogen-bonded Turntrans61.740.4174.7-50.3-176.1-107.400112.4R114 S737 N740R114-E742 VanDerWaalsContact CZ-CD 3.44Å; R114-E742 IonicContact CZ-OE1 2.67Å; R114-E742 IonicContact CZ-OE2 3.11Å; R114-E742 IonicContact NE-OE2 3.96Å; R114-E742 IonicContact NH1-OE1 2.59Å; R114-E742 PolarHBondContact NH1-OE1 3.34Å; R114-E742 IonicContact NH1-OE2 3.26Å; R114-E742 PolarHBondContact NH1-OE2 3.27Å; R114-E742 IonicContact NH2-OE2 3.52Å; R114-E742 PolarHBondContact NH2-OE2 2.83Å; S737-E742 PolarHBondContact O-N 2.85Å; N740-E742 PolarHBondContact O-N 3.33Å
743G82.9Confident84.9Confident0 Ų046.8 Ų46.80%024%0.238CC..THydrogen-bonded Turntrans94.3-4.1174.500000115.5N740 K741 C746 L747N740-G743 PolarHBondContact O-N 2.73Å; K741-G743 VanDerWaalsContact C-N 3.32Å; K741-G743 PolarHBondContact O-N 3.02Å; G743-C746 PolarHBondContact O-N 3.32Å; G743-L747 PolarHBondContact O-N 2.98Å
744L87.6Confident85.4Confident45 Ų4543.8 Ų43.824%0.23623%0.225CC..Hα-helixtrans-65.2-40.8-178.5-176.465.8000113L110 V112 N740 K741 C746 L747 R748L110-L744 HydrophobicContact CD2-CD1 3.78Å; L110-L744 HydrophobicContact CD2-CG 4.47Å; V112-L744 HydrophobicContact CB-CD1 4.05Å; V112-L744 HydrophobicContact CG1-CD1 3.95Å; N740-L744 PolarHBondContact O-N 3.05Å; K741-L744 HydrophobicContact CB-CB 4.23Å; K741-L744 PolarHBondContact O-N 2.69Å; L744-C746 VanDerWaalsContact C-N 3.32Å; L744-C746 PolarHBondContact O-N 3.42Å; L744-L747 PolarHBondContact O-N 3.39Å; L744-R748 PolarHBondContact O-N 3.26Å
745E87.3Confident85.8Confident53 Ų5342.9 Ų42.925%0.24822%0.221CC..Hα-helixtrans-70-31.5-179.8-61.2-57.9158.200111.8N740 K741 R748 L749N740-E745 PolarHBondContact O-N 3.36Å; K741-E745 HydrophobicContact CD-CG 4.43Å; K741-E745 WeakPolarHBondContact CD-OE1 3.35Å; K741-E745 WeakPolarHBondContact CE-OE1 3.18Å; K741-E745 IonicContact NZ-OE1 3.08Å; K741-E745 PolarHBondContact NZ-OE1 3.24Å; E745-R748 WeakPolarHBondContact O-CB 3.34Å; E745-R748 PolarHBondContact O-N 2.94Å; E745-R748 IonicContact OE1-NH2 2.68Å; E745-R748 IonicContact OE2-CZ 3.1Å; E745-R748 IonicContact OE2-NE 2.71Å; E745-R748 PolarHBondContact OE2-NE 3.46Å; E745-R748 IonicContact OE2-NH2 3.61Å; E745-L749 PolarHBondContact O-N 2.95Å; E745-L749 VanDerWaalsContact O-N 3.12Å
746C89.9Confident86.2Confident1 Ų141.1 Ų41.11%0.00721%0.21CC..Hα-helixtrans-63.1-42.4170.9-59.80000111.2F730 F733 Y734 G743 L744 R748 L749 L750F730-C746 HydrophobicContact CZ-CB 4.29Å; F730-C746 WeakPolarHBondContact CZ-O 3.39Å; F733-C746 HydrophobicContact CD1-CB 4.37Å; F733-C746 HydrophobicContact CE1-CB 3.94Å; Y734-C746 HydrophobicContact CD2-CB 3.67Å; Y734-C746 HydrophobicContact CE2-CB 4.19Å; G743-C746 PolarHBondContact O-N 3.32Å; L744-C746 VanDerWaalsContact C-N 3.32Å; L744-C746 PolarHBondContact O-N 3.42Å; C746-R748 VanDerWaalsContact C-N 3.32Å; C746-R748 PolarHBondContact O-N 3.4Å; C746-L749 PolarHBondContact O-N 3.17Å; C746-L750 PolarHBondContact O-N 3.43Å
747L90.8Very high87Confident1 Ų138 Ų381%0.00520%0.195CC..Hα-helixtrans-68-30.7175.3-69.2-174.6000112.9V112 L221 W235 Y734 G743 L744 L750 N751V112-L747 HydrophobicContact CG1-CD1 4.11Å; L221-L747 HydrophobicContact CB-CD1 3.74Å; L221-L747 HydrophobicContact CD1-CD1 3.5Å; L221-L747 VanDerWaalsContact CD1-CD1 3.5Å; L221-L747 HydrophobicContact CD1-CG 4.23Å; L221-L747 HydrophobicContact CG-CD1 4.24Å; W235-L747 HydrophobicContact CB-CD1 4.06Å; W235-L747 HydrophobicContact CB-CD2 3.96Å; W235-L747 HydrophobicContact CD2-CD1 4.23Å; W235-L747 HydrophobicContact CD2-CD2 4.16Å; W235-L747 HydrophobicContact CE3-CD1 4.08Å; W235-L747 HydrophobicContact CG-CD1 4.25Å; W235-L747 HydrophobicContact CG-CD2 3.76Å; Y734-L747 HydrophobicContact CE2-CD2 4.39Å; Y734-L747 HydrophobicContact CE2-CG 4.33Å; G743-L747 PolarHBondContact O-N 2.98Å; L744-L747 PolarHBondContact O-N 3.39Å; L747-L750 HydrophobicContact CD2-CD2 4.19Å; L747-L750 PolarHBondContact O-N 3.25Å; L747-N751 WeakPolarHBondContact O-CB 3.41Å; L747-N751 PolarHBondContact O-N 2.87Å
748R90.7Very high87.7Confident72 Ų7235.9 Ų35.927%0.27218%0.18SC..Hα-helixtrans-61.1-46.4171.7-170.1-169.9-63.7-91.7-3.9110.6F107 L110 L744 E745 C746 L750 N751 E752F107-R748 HydrophobicContact CD1-CG 4.38Å; L110-R748 HydrophobicContact CD2-CB 4.1Å; L744-R748 PolarHBondContact O-N 3.26Å; E745-R748 WeakPolarHBondContact O-CB 3.34Å; E745-R748 PolarHBondContact O-N 2.94Å; E745-R748 IonicContact OE1-NH2 2.68Å; E745-R748 IonicContact OE2-CZ 3.1Å; E745-R748 IonicContact OE2-NE 2.71Å; E745-R748 PolarHBondContact OE2-NE 3.46Å; E745-R748 IonicContact OE2-NH2 3.61Å; C746-R748 VanDerWaalsContact C-N 3.32Å; C746-R748 PolarHBondContact O-N 3.4Å; R748-L750 PolarHBondContact O-N 3.3Å; R748-N751 WeakPolarHBondContact O-CB 3.46Å; R748-N751 PolarHBondContact O-N 3.05Å; R748-E752 PolarHBondContact O-N 3.04Å
749L91.4Very high88.7Confident30 Ų3033.2 Ų33.216%0.15716%0.163CC..Hα-helixtrans-62.9-42.3175.8-177.260000112F733 E745 C746 N751 E752 I753 I821 F829F733-L749 HydrophobicContact CE1-CD2 3.85Å; F733-L749 HydrophobicContact CZ-CD2 3.73Å; E745-L749 PolarHBondContact O-N 2.95Å; E745-L749 VanDerWaalsContact O-N 3.12Å; C746-L749 PolarHBondContact O-N 3.17Å; L749-N751 VanDerWaalsContact C-N 3.3Å; L749-N751 PolarHBondContact O-N 3.11Å; L749-E752 PolarHBondContact O-N 3.09Å; L749-I753 HydrophobicContact CG-CD1 4.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.5Å; L749-I753 PolarHBondContact O-N 3.45Å; L749-I821 HydrophobicContact CD1-CG2 4.22Å; L749-F829 HydrophobicContact CD2-CE2 3.82Å; L749-F829 HydrophobicContact CD2-CZ 4.17Å
750L92.8Very high89.8Confident0 Ų027.1 Ų27.10%013%0.126CC..Hα-helixtrans-60.2-41.5174.2-176.260.5000111.7I225 F730 C746 L747 R748 E752 I753 I754I225-L750 HydrophobicContact CD1-CD2 4.17Å; I225-L750 HydrophobicContact CD1-CG 4.35Å; F730-L750 HydrophobicContact CD2-CD1 4.49Å; F730-L750 HydrophobicContact CE1-CB 4.38Å; F730-L750 HydrophobicContact CE1-CD2 3.96Å; F730-L750 HydrophobicContact CE2-CB 3.82Å; F730-L750 HydrophobicContact CE2-CD1 4.35Å; F730-L750 HydrophobicContact CZ-CB 3.63Å; F730-L750 HydrophobicContact CZ-CD1 4.43Å; F730-L750 HydrophobicContact CZ-CD2 4.05Å; F730-L750 HydrophobicContact CZ-CG 4.24Å; C746-L750 PolarHBondContact O-N 3.43Å; L747-L750 HydrophobicContact CD2-CD2 4.19Å; L747-L750 PolarHBondContact O-N 3.25Å; R748-L750 PolarHBondContact O-N 3.3Å; L750-E752 VanDerWaalsContact C-N 3.33Å; L750-E752 PolarHBondContact O-N 3.32Å; L750-I753 PolarHBondContact O-N 3.33Å; L750-I754 HydrophobicContact CD1-CG1 4.21Å; L750-I754 HydrophobicContact CG-CG1 4.36Å; L750-I754 VanDerWaalsContact O-CG1 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.28Å; L750-I754 PolarHBondContact O-N 2.81Å
751N93.4Very high90.6Very high3 Ų325.5 Ų25.52%0.01612%0.118CC..Hα-helixtrans-60.9-41.6177.2-175.965.2000111.8L110 I225 G226 L747 R748 L749 I754 A755L110-N751 HydrophobicContact CD1-CB 3.75Å; I225-N751 WeakPolarHBondContact CA-OD1 3.42Å; I225-N751 HydrophobicContact CB-CB 4.46Å; I225-N751 HydrophobicContact CG2-CB 4.38Å; G226-N751 PolarHBondContact N-OD1 3.04Å; L747-N751 WeakPolarHBondContact O-CB 3.41Å; L747-N751 PolarHBondContact O-N 2.87Å; R748-N751 WeakPolarHBondContact O-CB 3.46Å; R748-N751 PolarHBondContact O-N 3.05Å; L749-N751 VanDerWaalsContact C-N 3.3Å; L749-N751 PolarHBondContact O-N 3.11Å; N751-I754 PolarHBondContact O-N 3.49Å; N751-A755 WeakPolarHBondContact O-CB 3.47Å; N751-A755 PolarHBondContact O-N 3.33Å
752E92.5Very high91Very high22 Ų2223.3 Ų23.310%0.10312%0.118CC..Hα-helixtrans-63.1-43.8173.9-64.3-47.113300112.1F107 H108 R748 L749 L750 I754 A755 D756F107-E752 WeakPolarHBondContact CA-OE1 3.33Å; F107-E752 HydrophobicContact CD1-CG 3.72Å; F107-E752 HydrophobicContact CE1-CG 4.29Å; H108-E752 IonicContact CE1-OE2 3.69Å; H108-E752 IonicContact CG-OE2 2.72Å; H108-E752 PolarHBondContact N-OE1 3.19Å; H108-E752 PolarHBondContact N-OE2 3.37Å; H108-E752 IonicContact ND1-OE1 3.98Å; H108-E752 IonicContact ND1-OE2 3.98Å; H108-E752 PolarHBondContact ND1-OE2 3.47Å; R748-E752 PolarHBondContact O-N 3.04Å; L749-E752 PolarHBondContact O-N 3.09Å; L750-E752 VanDerWaalsContact C-N 3.33Å; L750-E752 PolarHBondContact O-N 3.32Å; E752-I754 VanDerWaalsContact C-N 3.35Å; E752-I754 PolarHBondContact O-N 2.82Å; E752-A755 PolarHBondContact O-N 3.43Å; E752-D756 WeakPolarHBondContact O-CB 3.3Å; E752-D756 PolarHBondContact O-N 2.97Å
753I93.8Very high91.5Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-59.3-47.5177.2-66.4163.2000111I727 L749 L750 D756 F757 L818 I821 F829I727-I753 HydrophobicContact CD1-CD1 4.31Å; I727-I753 HydrophobicContact CD1-CG2 3.78Å; L749-I753 HydrophobicContact CG-CD1 4.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.5Å; L749-I753 PolarHBondContact O-N 3.45Å; L750-I753 PolarHBondContact O-N 3.33Å; I753-D756 PolarHBondContact O-N 3Å; I753-F757 HydrophobicContact CG2-CD2 4.22Å; I753-F757 HydrophobicContact CG2-CE1 4.08Å; I753-F757 HydrophobicContact CG2-CE2 3.68Å; I753-F757 HydrophobicContact CG2-CZ 3.61Å; I753-F757 WeakPolarHBondContact O-CD1 3.41Å; I753-F757 WeakPolarHBondContact O-CG 3.34Å; I753-F757 PolarHBondContact O-N 3.25Å; I753-L818 HydrophobicContact CD1-CD1 4.16Å; I753-L818 HydrophobicContact CG1-CD1 4.24Å; I753-L818 HydrophobicContact CG2-CD1 4.11Å; I753-I821 HydrophobicContact CB-CD1 4.16Å; I753-I821 HydrophobicContact CG1-CD1 3.72Å; I753-I821 HydrophobicContact CG1-CG2 3.96Å; I753-F829 HydrophobicContact CD1-CD2 4.41Å
754I94.8Very high91.8Very high1 Ų130.9 Ų30.91%0.00516%0.161CC..Hα-helixtrans-68.2-36.6179.5-60.9-61000111.3I225 L750 N751 E752 F757 D758 T774 Y779I225-I754 HydrophobicContact CD1-CG1 4.32Å; L750-I754 HydrophobicContact CD1-CG1 4.21Å; L750-I754 HydrophobicContact CG-CG1 4.36Å; L750-I754 VanDerWaalsContact O-CG1 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.28Å; L750-I754 PolarHBondContact O-N 2.81Å; N751-I754 PolarHBondContact O-N 3.49Å; E752-I754 VanDerWaalsContact C-N 3.35Å; E752-I754 PolarHBondContact O-N 2.82Å; I754-F757 HydrophobicContact CD1-CD2 4.36Å; I754-F757 PolarHBondContact O-N 3.31Å; I754-D758 WeakPolarHBondContact O-CB 3.41Å; I754-D758 VanDerWaalsContact O-CG 3.24Å; I754-D758 PolarHBondContact O-N 3.49Å; I754-T774 HydrophobicContact CD1-CG2 4.15Å; I754-T774 HydrophobicContact CG2-CG2 3.96Å; I754-Y779 HydrophobicContact CD1-CD2 4.05Å
755A93.1Very high91.8Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-62.8-46175.600000111.2L227 N751 E752 F757 D758 E759L227-A755 HydrophobicContact CD1-CB 3.94Å; L227-A755 HydrophobicContact CD2-CB 4.38Å; L227-A755 HydrophobicContact CG-CB 3.8Å; N751-A755 WeakPolarHBondContact O-CB 3.47Å; N751-A755 PolarHBondContact O-N 3.33Å; E752-A755 PolarHBondContact O-N 3.43Å; A755-F757 VanDerWaalsContact C-N 3.27Å; A755-F757 PolarHBondContact O-N 3.48Å; A755-D758 WeakPolarHBondContact O-CB 3.5Å; A755-D758 PolarHBondContact O-N 2.69Å; A755-E759 WeakPolarHBondContact O-CG 3.3Å; A755-E759 PolarHBondContact O-N 3.02Å
756D93.4Very high92.1Very high26 Ų2632.5 Ų32.514%0.13917%0.166CC..Hα-helixtrans-61.4-34.5175.8-97.740.4000112.9E752 I753 K817 I821E752-D756 WeakPolarHBondContact O-CB 3.3Å; E752-D756 PolarHBondContact O-N 2.97Å; I753-D756 PolarHBondContact O-N 3Å; D756-K817 HydrophobicContact CB-CD 4.33Å; D756-K817 IonicContact OD1-NZ 3.7Å; D756-K817 WeakPolarHBondContact OD2-CD 3.46Å; D756-K817 IonicContact OD2-NZ 2.87Å; D756-K817 PolarHBondContact OD2-NZ 3.32Å; D756-I821 HydrophobicContact CB-CD1 3.96Å
757F95.5Very high91.9Very high1 Ų136.5 Ų36.50%0.00419%0.194CC..Hα-helixtrans-69.9-41.2172.2-66.3-7.4000111.7I753 I754 A755 E759 L760 Y779 L814 K817 L818 L831I753-F757 HydrophobicContact CG2-CD2 4.22Å; I753-F757 HydrophobicContact CG2-CE1 4.08Å; I753-F757 HydrophobicContact CG2-CE2 3.68Å; I753-F757 HydrophobicContact CG2-CZ 3.61Å; I753-F757 WeakPolarHBondContact O-CD1 3.41Å; I753-F757 WeakPolarHBondContact O-CG 3.34Å; I753-F757 PolarHBondContact O-N 3.25Å; I754-F757 HydrophobicContact CD1-CD2 4.36Å; I754-F757 PolarHBondContact O-N 3.31Å; A755-F757 VanDerWaalsContact C-N 3.27Å; A755-F757 PolarHBondContact O-N 3.48Å; F757-E759 VanDerWaalsContact C-N 3.33Å; F757-E759 PolarHBondContact O-N 3.46Å; F757-L760 WeakPolarHBondContact O-CB 3.41Å; F757-L760 PolarHBondContact O-N 3.37Å; F757-Y779 HydrophobicContact CB-CD2 4.33Å; F757-Y779 HydrophobicContact CB-CE2 4.02Å; F757-Y779 HydrophobicContact CD2-CD2 4.11Å; F757-Y779 HydrophobicContact CD2-CG 4.36Å; F757-L814 HydrophobicContact CB-CD2 3.61Å; F757-L814 HydrophobicContact CD1-CD2 3.36Å; F757-L814 HydrophobicContact CD2-CD2 3.78Å; F757-L814 HydrophobicContact CE1-CB 4.19Å; F757-L814 HydrophobicContact CE1-CD2 3.87Å; F757-L814 WeakPolarHBondContact CE1-O 3.32Å; F757-L814 HydrophobicContact CE2-CD2 4.24Å; F757-L814 HydrophobicContact CG-CD2 3.3Å; F757-L814 HydrophobicContact CZ-CB 4.36Å; F757-L814 HydrophobicContact CZ-CD2 4.28Å; F757-K817 HydrophobicContact CD1-CB 4.29Å; F757-K817 HydrophobicContact CE1-CB 4.18Å; F757-L818 HydrophobicContact CE1-CB 4.48Å; F757-L818 HydrophobicContact CZ-CB 4.42Å; F757-L831 HydrophobicContact CE2-CD2 4.47Å; F757-L831 HydrophobicContact CZ-CD1 4.28Å; F757-L831 HydrophobicContact CZ-CD2 4.28Å
758D94.2Very high91.7Very high1 Ų137.9 Ų37.91%0.00521%0.208CC..Hα-helixtrans-65.9-33.6177.3-73.3-18.1000112.2L227 R228 I754 A755 L760 L761 K771 Y779L227-D758 HydrophobicContact CB-CB 3.98Å; L227-D758 PolarHBondContact N-OD2 3.29Å; R228-D758 HydrophobicContact CB-CB 4.42Å; R228-D758 HydrophobicContact CG-CB 4.31Å; R228-D758 PolarHBondContact N-OD2 3.42Å; I754-D758 WeakPolarHBondContact O-CB 3.41Å; I754-D758 VanDerWaalsContact O-CG 3.24Å; I754-D758 PolarHBondContact O-N 3.49Å; A755-D758 WeakPolarHBondContact O-CB 3.5Å; A755-D758 PolarHBondContact O-N 2.69Å; D758-L760 PolarHBondContact O-N 2.98Å; D758-L761 WeakPolarHBondContact O-CB 3.23Å; D758-L761 PolarHBondContact O-N 2.82Å; D758-L761 VanDerWaalsContact O-N 3.14Å; D758-K771 VanDerWaalsContact OD1-CD 3.29Å; D758-K771 WeakPolarHBondContact OD1-CD 3.45Å; D758-K771 WeakPolarHBondContact OD1-CE 3.47Å; D758-K771 IonicContact OD1-NZ 2.72Å; D758-K771 PolarHBondContact OD1-NZ 3.33Å; D758-K771 IonicContact OD2-NZ 3.33Å; D758-K771 PolarHBondContact OD2-NZ 3.21Å; D758-Y779 PolarHBondContact OD1-OH 3.34Å
759E92.9Very high91.8Very high80 Ų8034.8 Ų34.837%0.37420%0.197SC..Hα-helixtrans-58.9-36.5174.2-75.2-173.6160.100112.4L227 A755 F757 L761 S762 K817L227-E759 HydrophobicContact CD1-CG 4.28Å; A755-E759 WeakPolarHBondContact O-CG 3.3Å; A755-E759 PolarHBondContact O-N 3.02Å; F757-E759 VanDerWaalsContact C-N 3.33Å; F757-E759 PolarHBondContact O-N 3.46Å; E759-L761 PolarHBondContact O-N 3.18Å; E759-S762 VanDerWaalsContact O-CB 3.3Å; E759-S762 WeakPolarHBondContact O-CB 3.46Å; E759-S762 PolarHBondContact O-N 3.12Å; E759-S762 PolarHBondContact O-OG 3.07Å; E759-K817 IonicContact OE2-NZ 3.51Å; E759-K817 PolarHBondContact OE2-NZ 2.96Å; E759-K817 VanDerWaalsContact OE2-NZ 3.08Å
760L94.3Very high91.8Very high2 Ų234.9 Ų34.91%0.0120%0.197CC..Hα-helixtrans-60.5-33.7178.3-66.3175.2000111.5F757 D758 S762 K763 F766 F810 A813 L814 K817F757-L760 WeakPolarHBondContact O-CB 3.41Å; F757-L760 PolarHBondContact O-N 3.37Å; D758-L760 PolarHBondContact O-N 2.98Å; L760-S762 PolarHBondContact O-N 3.08Å; L760-K763 HydrophobicContact CD2-CD 4.17Å; L760-K763 WeakPolarHBondContact O-CB 3.42Å; L760-K763 PolarHBondContact O-N 2.92Å; L760-F766 HydrophobicContact CB-CD2 4.35Å; L760-F766 WeakPolarHBondContact O-CD2 3.34Å; L760-F810 HydrophobicContact CB-CD2 4.39Å; L760-F810 HydrophobicContact CB-CE2 3.71Å; L760-F810 HydrophobicContact CD1-CE2 4.25Å; L760-A813 HydrophobicContact CD1-CB 3.84Å; L760-A813 HydrophobicContact CD2-CB 4.31Å; L760-L814 HydrophobicContact CD1-CD2 3.9Å; L760-K817 HydrophobicContact CD1-CG 3.99Å; L760-K817 HydrophobicContact CD2-CG 4.14Å; L760-K817 HydrophobicContact CG-CG 4.19Å
761L91.6Very high91.8Very high11 Ų1135.1 Ų35.16%0.05820%0.198CC..THydrogen-bonded Turntrans-67.1-13.6176.8-58.5178.5000113.6D758 E759 K763 V769 K771 Y779 F810D758-L761 WeakPolarHBondContact O-CB 3.23Å; D758-L761 PolarHBondContact O-N 2.82Å; D758-L761 VanDerWaalsContact O-N 3.14Å; E759-L761 PolarHBondContact O-N 3.18Å; L761-K763 VanDerWaalsContact C-N 3.31Å; L761-V769 HydrophobicContact CD2-CB 3.85Å; L761-V769 HydrophobicContact CD2-CG1 3.74Å; L761-K771 HydrophobicContact CD1-CB 3.82Å; L761-Y779 VanDerWaalsContact CD1-OH 3.3Å; L761-Y779 WeakPolarHBondContact CD1-OH 3.18Å; L761-F810 HydrophobicContact CD2-CE2 3.67Å; L761-F810 HydrophobicContact CD2-CZ 3.66Å; L761-F810 HydrophobicContact CG-CE2 4.38Å; L761-F810 HydrophobicContact CG-CZ 4.33Å
762S88.4Confident91.7Very high78 Ų7835.1 Ų35.155%0.54520%0.198SC..THydrogen-bonded Turntrans-81.6-12.9174-50.90000112.4R228 E759 L760R228-S762 PolarHBondContact NH2-OG 3.34Å; E759-S762 VanDerWaalsContact O-CB 3.3Å; E759-S762 WeakPolarHBondContact O-CB 3.46Å; E759-S762 PolarHBondContact O-N 3.12Å; E759-S762 PolarHBondContact O-OG 3.07Å; L760-S762 PolarHBondContact O-N 3.08Å
763K90.8Very high91.6Very high107 Ų10734.3 Ų34.347%0.46519%0.194SC..SBendtrans-75.9135.6178.4-62.8-179.2177.1177.80110.3L760 L761 K765 F766 S767L760-K763 HydrophobicContact CD2-CD 4.17Å; L760-K763 WeakPolarHBondContact O-CB 3.42Å; L760-K763 PolarHBondContact O-N 2.92Å; L761-K763 VanDerWaalsContact C-N 3.31Å; K763-K765 PolarHBondContact O-N 2.97Å; K763-K765 VanDerWaalsContact O-N 3.11Å; K763-F766 HydrophobicContact CB-CD2 4.03Å; K763-F766 HydrophobicContact CD-CD2 4.27Å; K763-F766 HydrophobicContact CD-CE2 4.23Å; K763-F766 PolarHBondContact O-N 3.02Å; K763-S767 PolarHBondContact O-N 3.07Å
764P88.3Confident91.5Very high114 Ų11434.8 Ų34.874%0.7420%0.197SC*.G310 helixtrans-53.9-35.7179.7-27.834.2000114.4F766 S767P764-F766 PolarHBondContact O-N 3.4Å; P764-S767 WeakPolarHBondContact O-CB 3.3Å; P764-S767 PolarHBondContact O-N 2.86Å; P764-S767 PolarHBondContact O-OG 2.78Å
765K89Confident91.2Very high124 Ų12437.4 Ų37.454%0.53921%0.21SC..G310 helixtrans-57-31.4176.1-175.3178.6176.2-176.30112.9K763 T806 E809K763-K765 PolarHBondContact O-N 2.97Å; K763-K765 VanDerWaalsContact O-N 3.11Å; K765-T806 WeakPolarHBondContact O-CG2 3.43Å; K765-E809 IonicContact NZ-OE2 3.73Å; K765-E809 PolarHBondContact NZ-OE2 3.06Å
766F92.2Very high90.9Very high9 Ų938.8 Ų38.84%0.03923%0.225CC..G310 helixtrans-107.814.7-176-55.8-55000113.1L760 K763 P764 G768 V769 T806 E809 F810 A813L760-F766 HydrophobicContact CB-CD2 4.35Å; L760-F766 WeakPolarHBondContact O-CD2 3.34Å; K763-F766 HydrophobicContact CB-CD2 4.03Å; K763-F766 HydrophobicContact CD-CD2 4.27Å; K763-F766 HydrophobicContact CD-CE2 4.23Å; K763-F766 PolarHBondContact O-N 3.02Å; P764-F766 PolarHBondContact O-N 3.4Å; F766-G768 PolarHBondContact O-N 3.42Å; F766-G768 VanDerWaalsContact O-N 3.16Å; F766-V769 HydrophobicContact CB-CG2 4.07Å; F766-V769 HydrophobicContact CD1-CG2 4.3Å; F766-V769 WeakPolarHBondContact O-CB 3.5Å; F766-V769 PolarHBondContact O-N 2.97Å; F766-T806 HydrophobicContact CD1-CG2 4.15Å; F766-E809 HydrophobicContact CE1-CB 4.12Å; F766-F810 HydrophobicContact CB-CD2 4.24Å; F766-F810 HydrophobicContact CD1-CB 3.88Å; F766-F810 AromaticContact CD1-CD2 3.84Å; F766-F810 HydrophobicContact CD1-CD2 3.84Å; F766-F810 HydrophobicContact CD1-CG 4.32Å; F766-F810 HydrophobicContact CD2-CD2 4.1Å; F766-F810 HydrophobicContact CE1-CB 3.81Å; F766-F810 HydrophobicContact CE1-CD2 4.17Å; F766-F810 HydrophobicContact CE2-CD2 4.41Å; F766-F810 AromaticContact CG-CD2 3.81Å; F766-F810 HydrophobicContact CG-CD2 3.81Å; F766-F810 HydrophobicContact CZ-CD2 4.44Å; F766-A813 HydrophobicContact CE2-CB 4.16Å; F766-A813 HydrophobicContact CZ-CB 3.94Å
767S85.5Confident90.8Very high85 Ų8538.2 Ų38.259%0.59422%0.223SC*.THydrogen-bonded Turntrans-59.7-23.8177.655.40000114.1K763 P764K763-S767 PolarHBondContact O-N 3.07Å; P764-S767 WeakPolarHBondContact O-CB 3.3Å; P764-S767 PolarHBondContact O-N 2.86Å; P764-S767 PolarHBondContact O-OG 2.78Å
768G86.8Confident90.7Very high30 Ų3039.3 Ų39.331%0.30923%0.23SC..THydrogen-bonded Turntrans-84.6-4174.100000115.1F766F766-G768 PolarHBondContact O-N 3.42Å; F766-G768 VanDerWaalsContact O-N 3.16Å
769V92.7Very high90.8Very high7 Ų739.3 Ų39.34%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-91.7117.1177.6-174.90000108.8L761 F766 A781 T783 T806 F810L761-V769 HydrophobicContact CD2-CB 3.85Å; L761-V769 HydrophobicContact CD2-CG1 3.74Å; F766-V769 HydrophobicContact CB-CG2 4.07Å; F766-V769 HydrophobicContact CD1-CG2 4.3Å; F766-V769 WeakPolarHBondContact O-CB 3.5Å; F766-V769 PolarHBondContact O-N 2.97Å; V769-A781 HydrophobicContact CG1-CB 3.98Å; V769-T783 HydrophobicContact CB-CG2 4.03Å; V769-T783 HydrophobicContact CG1-CG2 4.31Å; V769-T783 HydrophobicContact CG2-CG2 3.57Å; V769-T806 HydrophobicContact CG2-CG2 4.14Å; V769-F810 HydrophobicContact CG1-CD1 3.91Å; V769-F810 HydrophobicContact CG1-CE1 3.98Å; V769-F810 HydrophobicContact CG1-CG 4.2Å; V769-F810 HydrophobicContact CG1-CZ 4.31Å; V769-F810 HydrophobicContact CG2-CB 4.24Å; V769-F810 HydrophobicContact CG2-CD2 4.43Å; V769-F810 HydrophobicContact CG2-CG 4.21Å
770E91.8Very high90.9Very high31 Ų3135.8 Ų35.815%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-102123.8176-168.673.5-166.400109.3K229 I772 A781 A782 L785K229-E770 WeakPolarHBondContact CE-OE1 3.2Å; K229-E770 IonicContact NZ-OE1 3.38Å; K229-E770 PolarHBondContact NZ-OE1 2.96Å; E770-I772 PolarHBondContact O-N 3.48Å; E770-A781 CarbonylContact O-C 3.51Å; E770-A781 WeakPolarHBondContact O-CA 3.49Å; E770-A782 PolarHBondContact N-O 3.43Å; E770-A782 PolarHBondContact O-N 3.23Å; E770-L785 HydrophobicContact CB-CD1 4.38Å
771K93.3Very high91Very high5 Ų535.7 Ų35.72%0.02221%0.213CC..EExtended strand (participates in β ladder)trans-71126.4167.3179.4-177.9-174.8178.50109R228 K229 D758 L761 Y779R228-K771 HydrophobicContact CB-CD 4.46Å; R228-K771 PolarHBondContact O-NZ 3.13Å; K229-K771 HydrophobicContact CB-CD 4.06Å; K229-K771 HydrophobicContact CB-CG 4.36Å; K229-K771 WeakPolarHBondContact CE-O 3.35Å; K229-K771 HydrophobicContact CG-CB 4.08Å; K229-K771 HydrophobicContact CG-CD 4.09Å; K229-K771 HydrophobicContact CG-CG 4.11Å; K229-K771 WeakPolarHBondContact CG-O 3.15Å; D758-K771 VanDerWaalsContact OD1-CD 3.29Å; D758-K771 WeakPolarHBondContact OD1-CD 3.45Å; D758-K771 WeakPolarHBondContact OD1-CE 3.47Å; D758-K771 IonicContact OD1-NZ 2.72Å; D758-K771 PolarHBondContact OD1-NZ 3.33Å; D758-K771 IonicContact OD2-NZ 3.33Å; D758-K771 PolarHBondContact OD2-NZ 3.21Å; L761-K771 HydrophobicContact CD1-CB 3.82Å; K771-Y779 HydrophobicContact CD-CE2 3.9Å; K771-Y779 HydrophobicContact CG-CE1 4.44Å; K771-Y779 HydrophobicContact CG-CE2 4.25Å
772I91.3Very high91.1Very high4 Ų435.1 Ų35.12%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-88.5-55.7176.4-54.9-57.4000109.8E770 M780 A782 L785 Y852 I854E770-I772 PolarHBondContact O-N 3.48Å; I772-M780 HydrophobicContact CB-CE 4.21Å; I772-M780 HydrophobicContact CB-CG 4.05Å; I772-M780 HydrophobicContact CB-SD 4.02Å; I772-M780 HydrophobicContact CG1-CE 4.24Å; I772-M780 HydrophobicContact CG1-CG 4.39Å; I772-M780 HydrophobicContact CG2-CE 3.98Å; I772-M780 HydrophobicContact CG2-SD 3.93Å; I772-M780 PolarHBondContact N-O 3.46Å; I772-A782 HydrophobicContact CD1-CB 4.08Å; I772-A782 HydrophobicContact CG1-CB 4.1Å; I772-L785 HydrophobicContact CD1-CD1 3.92Å; I772-Y852 HydrophobicContact CD1-CE1 4.11Å; I772-I854 HydrophobicContact CD1-CD1 4.23Å; I772-I854 HydrophobicContact CD1-CG1 4.45Å; I772-I854 HydrophobicContact CD1-CG2 4.26Å; I772-I854 HydrophobicContact CG1-CD1 4.06Å; I772-I854 HydrophobicContact CG1-CG1 4.34Å; I772-I854 HydrophobicContact CG2-CG1 4.41Å
773K90.4Very high91.4Very high5 Ų531.5 Ų31.52%0.02218%0.184CC..EExtended strand (participates in β ladder)trans-166.9163.2-178.358.3-175.369.1173.30110.9I165 I775 M780 D853I165-K773 PolarHBondContact O-NZ 3.5Å; K773-I775 HydrophobicContact CD-CD1 3.91Å; K773-I775 HydrophobicContact CD-CG1 3.94Å; K773-I775 HydrophobicContact CG-CD1 4.24Å; K773-I775 HydrophobicContact CG-CG1 4.05Å; K773-M780 HydrophobicContact CD-SD 4.17Å; K773-M780 HydrophobicContact CG-CB 4.19Å; K773-M780 HydrophobicContact CG-SD 3.86Å; K773-M780 WeakPolarHBondContact O-CB 3.21Å; K773-M780 PolarHBondContact O-N 2.8Å; K773-D853 WeakPolarHBondContact CE-OD1 3.26Å; K773-D853 IonicContact NZ-OD1 2.84Å; K773-D853 PolarHBondContact NZ-OD1 3.37Å; K773-D853 IonicContact NZ-OD2 3.47Å; K773-D853 PolarHBondContact NZ-OD2 3.04Å
774T90.9Very high91.3Very high10 Ų1027.1 Ų27.16%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-101146.4160.351.10000109K164 I754 T778 Y779K164-T774 PolarHBondContact NZ-O 3.44Å; I754-T774 HydrophobicContact CD1-CG2 4.15Å; I754-T774 HydrophobicContact CG2-CG2 3.96Å; T774-T778 CarbonylContact C-O 3.5Å; T774-T778 WeakPolarHBondContact CA-O 3.33Å; T774-Y779 HydrophobicContact CG2-CD2 4.05Å
775I88.6Confident91.1Very high55 Ų5521.9 Ų21.928%0.28214%0.135SC..EExtended strand (participates in β ladder)trans-135.3100177.1-54.6165.9000106.8L166 K773 S777 T778L166-I775 HydrophobicContact CD1-CG2 4.44Å; L166-I775 HydrophobicContact CD2-CD1 4.08Å; L166-I775 HydrophobicContact CD2-CG1 4.02Å; L166-I775 HydrophobicContact CD2-CG2 4.26Å; K773-I775 HydrophobicContact CD-CD1 3.91Å; K773-I775 HydrophobicContact CD-CG1 3.94Å; K773-I775 HydrophobicContact CG-CD1 4.24Å; K773-I775 HydrophobicContact CG-CG1 4.05Å; I775-S777 PolarHBondContact O-N 2.89Å; I775-T778 PolarHBondContact N-O 3.31Å; I775-T778 VanDerWaalsContact O-CB 3.31Å; I775-T778 WeakPolarHBondContact O-CB 3.43Å; I775-T778 PolarHBondContact O-N 2.89Å
776G87.4Confident90.2Very high29 Ų2919.6 Ų19.630%0.29913%0.129SC..THydrogen-bonded Turntrans56.2-121.3-169.400000110.9T778G776-T778 VanDerWaalsContact C-N 3.33Å
777S90.8Very high88.6Confident14 Ų1424 Ų2410%0.09816%0.156CC..THydrogen-bonded Turntrans-89.110.8174.8640000114.5I727 I775I727-S777 PolarHBondContact N-O 3.25Å; I727-S777 PolarHBondContact O-OG 3.04Å; I775-S777 PolarHBondContact O-N 2.89Å
778T93.6Very high86.7Confident25 Ų2523.8 Ų23.815%0.15316%0.159CC..EExtended strand (participates in β ladder)trans-102.4127.4-179.1-51.70000111.5F724 A725 S726 T774 I775 G776F724-T778 HydrophobicContact CB-CG2 4.39Å; F724-T778 HydrophobicContact CD1-CG2 3.97Å; A725-T778 CarbonylContact O-C 3.55Å; A725-T778 WeakPolarHBondContact O-CA 3.29Å; S726-T778 WeakPolarHBondContact CB-OG1 3.06Å; T774-T778 CarbonylContact C-O 3.5Å; T774-T778 WeakPolarHBondContact CA-O 3.33Å; I775-T778 PolarHBondContact N-O 3.31Å; I775-T778 VanDerWaalsContact O-CB 3.31Å; I775-T778 WeakPolarHBondContact O-CB 3.43Å; I775-T778 PolarHBondContact O-N 2.89Å; G776-T778 VanDerWaalsContact C-N 3.33Å
779Y95.8Very high84.5Confident1 Ų128.9 Ų28.90%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-99.8121.2176.2-166.2-86.5000110.2A725 I754 F757 D758 L761 K771 T774 A781 F810A725-Y779 PolarHBondContact N-O 3.31Å; A725-Y779 PolarHBondContact O-N 3Å; I754-Y779 HydrophobicContact CD1-CD2 4.05Å; F757-Y779 HydrophobicContact CB-CD2 4.33Å; F757-Y779 HydrophobicContact CB-CE2 4.02Å; F757-Y779 HydrophobicContact CD2-CD2 4.11Å; F757-Y779 HydrophobicContact CD2-CG 4.36Å; D758-Y779 PolarHBondContact OD1-OH 3.34Å; L761-Y779 VanDerWaalsContact CD1-OH 3.3Å; L761-Y779 WeakPolarHBondContact CD1-OH 3.18Å; K771-Y779 HydrophobicContact CD-CE2 3.9Å; K771-Y779 HydrophobicContact CG-CE1 4.44Å; K771-Y779 HydrophobicContact CG-CE2 4.25Å; T774-Y779 HydrophobicContact CG2-CD2 4.05Å; Y779-A781 HydrophobicContact CD1-CB 4.36Å; Y779-A781 HydrophobicContact CE1-CB 4.01Å; Y779-F810 HydrophobicContact CE1-CE1 4.01Å; Y779-F810 HydrophobicContact CE1-CZ 4.16Å
780M95.4Very high81.9Confident5 Ų530.7 Ų30.73%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-110123.8179.7-176.3-173.7173.800110.7V722 M723 F724 I772 K773 I854 V859V722-M780 HydrophobicContact CG1-CE 4.28Å; M723-M780 WeakPolarHBondContact O-CA 3.3Å; F724-M780 HydrophobicContact CD1-CB 4.4Å; F724-M780 HydrophobicContact CD1-CG 4.37Å; F724-M780 HydrophobicContact CE1-CB 4.23Å; F724-M780 HydrophobicContact CE1-CG 3.92Å; F724-M780 HydrophobicContact CE1-SD 3.87Å; F724-M780 HydrophobicContact CE2-CE 4.32Å; F724-M780 HydrophobicContact CE2-CG 4.35Å; F724-M780 HydrophobicContact CZ-CE 3.86Å; F724-M780 HydrophobicContact CZ-CG 3.91Å; F724-M780 HydrophobicContact CZ-SD 3.67Å; I772-M780 HydrophobicContact CB-CE 4.21Å; I772-M780 HydrophobicContact CB-CG 4.05Å; I772-M780 HydrophobicContact CB-SD 4.02Å; I772-M780 HydrophobicContact CG1-CE 4.24Å; I772-M780 HydrophobicContact CG1-CG 4.39Å; I772-M780 HydrophobicContact CG2-CE 3.98Å; I772-M780 HydrophobicContact CG2-SD 3.93Å; I772-M780 PolarHBondContact N-O 3.46Å; K773-M780 HydrophobicContact CD-SD 4.17Å; K773-M780 HydrophobicContact CG-CB 4.19Å; K773-M780 HydrophobicContact CG-SD 3.86Å; K773-M780 WeakPolarHBondContact O-CB 3.21Å; K773-M780 PolarHBondContact O-N 2.8Å; M780-I854 HydrophobicContact CE-CD1 3.78Å; M780-I854 HydrophobicContact CE-CG1 3.6Å; M780-V859 HydrophobicContact CE-CG1 3.77Å
781A95.6Very high79.4Confident0 Ų035.7 Ų35.70%024%0.243CC..EExtended strand (participates in β ladder)trans-136.5156.1178.100000111.8M723 V769 E770 Y779 M807 F810M723-A781 HydrophobicContact CE-CB 4.19Å; M723-A781 PolarHBondContact N-O 3.04Å; M723-A781 PolarHBondContact O-N 3.44Å; M723-A781 VanDerWaalsContact O-N 3.09Å; V769-A781 HydrophobicContact CG1-CB 3.98Å; E770-A781 CarbonylContact O-C 3.51Å; E770-A781 WeakPolarHBondContact O-CA 3.49Å; Y779-A781 HydrophobicContact CD1-CB 4.36Å; Y779-A781 HydrophobicContact CE1-CB 4.01Å; A781-M807 HydrophobicContact CB-CE 4.34Å; A781-F810 HydrophobicContact CB-CE1 4.37Å
782A95.1Very high76.8Confident0 Ų044.2 Ų44.20%028%0.282CS..EExtended strand (participates in β ladder)trans-138148.7177.400000111.9V720 C721 E770 I772 L785 M807 I854V720-A782 HydrophobicContact CG1-CB 3.97Å; C721-A782 CarbonylContact O-C 3.53Å; C721-A782 WeakPolarHBondContact O-CA 3.34Å; E770-A782 PolarHBondContact N-O 3.43Å; E770-A782 PolarHBondContact O-N 3.23Å; I772-A782 HydrophobicContact CD1-CB 4.08Å; I772-A782 HydrophobicContact CG1-CB 4.1Å; A782-L785 HydrophobicContact CB-CD1 3.78Å; A782-L785 HydrophobicContact CB-CG 4.42Å; A782-M807 VanDerWaalsContact C-CE 3.44Å; A782-M807 VanDerWaalsContact CA-CE 3.45Å; A782-I854 HydrophobicContact CB-CD1 3.91Å
783T93.7Very high74.2Confident2 Ų250 Ų501%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-123.7152.4171.756.70000110.2V720 C721 V769 H803 M807V720-T783 WeakPolarHBondContact CA-O 3.39Å; V720-T783 WeakPolarHBondContact CG1-O 3.49Å; C721-T783 WeakPolarHBondContact CB-OG1 3.42Å; C721-T783 PolarHBondContact N-O 3.18Å; C721-T783 PolarHBondContact O-N 2.95Å; V769-T783 HydrophobicContact CB-CG2 4.03Å; V769-T783 HydrophobicContact CG1-CG2 4.31Å; V769-T783 HydrophobicContact CG2-CG2 3.57Å; T783-H803 PolarHBondContact OG1-CD2 3.28Å; T783-H803 PolarHBondContact OG1-O 3.33Å; T783-M807 HydrophobicContact CG2-CB 4.25Å; T783-M807 HydrophobicContact CG2-CE 3.63Å; T783-M807 HydrophobicContact CG2-SD 4.4Å
784G88.6Confident71.7Confident14 Ų1456 Ų5614%0.14436%0.359CS..SBendtrans95.56.5-175.900000114.7
785L84.9Confident69.1Low5 Ų563.1 Ų63.13%0.02639%0.392CS..  trans-85.8-17.2177-62.9173000113.7Y717 V720 E770 I772 A782 V787 V840 I854Y717-L785 HydrophobicContact CD1-CD2 4.31Å; Y717-L785 HydrophobicContact CD2-CD2 3.77Å; Y717-L785 HydrophobicContact CE1-CD2 4.24Å; Y717-L785 WeakPolarHBondContact CE1-O 3.37Å; Y717-L785 HydrophobicContact CE2-CD2 3.7Å; Y717-L785 HydrophobicContact CG-CD2 4.07Å; Y717-L785 PolarHBondContact OH-O 3.25Å; V720-L785 HydrophobicContact CG1-CD2 4.16Å; V720-L785 HydrophobicContact CG1-CG 4.29Å; V720-L785 HydrophobicContact CG2-CD2 3.8Å; V720-L785 HydrophobicContact CG2-CG 4.44Å; E770-L785 HydrophobicContact CB-CD1 4.38Å; I772-L785 HydrophobicContact CD1-CD1 3.92Å; A782-L785 HydrophobicContact CB-CD1 3.78Å; A782-L785 HydrophobicContact CB-CG 4.42Å; L785-V787 PolarHBondContact O-N 3.46Å; L785-V840 HydrophobicContact CD2-CG2 4.4Å; L785-I854 HydrophobicContact CD1-CG2 4.29Å; L785-I854 HydrophobicContact CD2-CG2 4.44Å
786N69.4Low67.1Low76 Ų7666.8 Ų66.841%0.40641%0.408SS..  trans-96.333.5-173.9-71.2-14.6000114A788N786-A788 PolarHBondContact O-N 3.15Å; N786-A788 VanDerWaalsContact O-N 3.12Å
787V58.4Low65.2Low101 Ų10173 Ų7361%0.61243%0.428SS*.  trans-79.498.1175.6-173.40000108.7L785L785-V787 PolarHBondContact O-N 3.46Å
788A46.1Very low63.2Low80 Ų8078.9 Ų78.966%0.66146%0.459SS*.  trans-59.6131.4163.200000108N786 G790N786-A788 PolarHBondContact O-N 3.15Å; N786-A788 VanDerWaalsContact O-N 3.12Å; A788-G790 PolarHBondContact O-N 3.03Å
789P41.2Very low61.6Low137 Ų13786.2 Ų86.289%0.8948%0.484SS*.  trans-72.376.9174.529.5-31.6000108.8
790G38.5Very low60.2Low46 Ų4690 Ų9047%0.47450%0.502SS..  trans-81.7147.6167.400000110.2A788 E792A788-G790 PolarHBondContact O-N 3.03Å; G790-E792 PolarHBondContact O-N 3.48Å; G790-E792 VanDerWaalsContact O-N 3.07Å
791P39.2Very low59.5Low136 Ų13693.5 Ų93.588%0.88352%0.515SS*.SBendtrans-75.512.3-177.318.5-11.1000114.9C793P791-C793 PolarHBondContact O-N 3.39Å
792E37.2Very low59Low183 Ų18398.9 Ų98.986%0.85554%0.542SS*.  trans-98.855.7-177.2-63.9-173.9178.100111.6G790 T794G790-E792 PolarHBondContact O-N 3.48Å; G790-E792 VanDerWaalsContact O-N 3.07Å; E792-T794 VanDerWaalsContact C-N 3.32Å; E792-T794 PolarHBondContact O-N 3.06Å
793C37.2Very low58.8Low125 Ų125100.6 Ų100.685%0.84555%0.55SS*.THydrogen-bonded Turntrans-94.744179.8-157.40000112.6P791P791-C793 PolarHBondContact O-N 3.39Å
794T38.3Very low58.7Low133 Ų133100.5 Ų100.582%0.81655%0.549SS*.THydrogen-bonded Turntrans-137.214.7-177.810.70000115.6E792E792-T794 VanDerWaalsContact C-N 3.32Å; E792-T794 PolarHBondContact O-N 3.06Å
795Q36.9Very low58.8Low159 Ų159100.2 Ų100.274%0.74355%0.546SS*.SBendtrans-133.1114.4172.2-74.7-175.8-9.800113.4
796E45Very low59.2Low132 Ų132101.9 Ų101.962%0.61756%0.556SS**  trans82.1101.3155.9-60178.4173.300118.7D798 R799E796-D798 PolarHBondContact O-N 3.28Å; E796-D798 VanDerWaalsContact O-N 3.09Å; E796-R799 PolarHBondContact O-N 3.04Å; E796-R799 VanDerWaalsContact O-N 3.09Å
797H48.6Very low60.5Low158 Ų15898.2 Ų98.273%0.73154%0.537SS*.THydrogen-bonded Turntrans-51.8-24.3167-84.2-78000113.9Q800H797-Q800 WeakPolarHBondContact O-CB 3.48Å; H797-Q800 PolarHBondContact O-N 3.41Å
798D47.8Very low62.2Low139 Ų13993.4 Ų93.474%0.74351%0.508SS*.THydrogen-bonded Turntrans-75.4-27.6178.4-74.6-23.1000113.5E796 Q800E796-D798 PolarHBondContact O-N 3.28Å; E796-D798 VanDerWaalsContact O-N 3.09Å; D798-Q800 PolarHBondContact O-N 2.96Å
799R60.4Low64.5Low179 Ų17992.2 Ų92.268%0.67549%0.488SS*.G310 helixtrans-72.1-20.5175-81.5-177.4160.2176.6-2.4112.7E796 Y801E796-R799 PolarHBondContact O-N 3.04Å; E796-R799 VanDerWaalsContact O-N 3.09Å; R799-Y801 VanDerWaalsContact C-N 3.27Å; R799-Y801 PolarHBondContact O-N 2.88Å
800Q65.9Low67.1Low81 Ų8185.7 Ų85.738%0.37945%0.446SS..G310 helixtrans-63.7-30.3-175.2-166.41738.400112.6H797 D798 H803H797-Q800 WeakPolarHBondContact O-CB 3.48Å; H797-Q800 PolarHBondContact O-N 3.41Å; D798-Q800 PolarHBondContact O-N 2.96Å; Q800-H803 PolarHBondContact O-CE1 3.28Å; Q800-H803 PolarHBondContact O-ND1 3.1Å
801Y80.8Confident69.9Low77 Ų7783.5 Ų83.530%0.30242%0.423SS..G310 helixtrans-109.42-172.5-59.3-71.2000115.4R799 H803 I804 I883R799-Y801 VanDerWaalsContact C-N 3.27Å; R799-Y801 PolarHBondContact O-N 2.88Å; Y801-H803 PolarHBondContact O-N 3.21Å; Y801-H803 VanDerWaalsContact O-N 3.14Å; Y801-I804 HydrophobicContact CD1-CD1 3.7Å; Y801-I804 HydrophobicContact CG-CD1 4.42Å; Y801-I804 VanDerWaalsContact O-CB 3.28Å; Y801-I804 WeakPolarHBondContact O-CB 3.45Å; Y801-I804 PolarHBondContact O-N 3.28Å; Y801-I883 HydrophobicContact CD1-CD1 3.71Å; Y801-I883 HydrophobicContact CD1-CG2 4.42Å; Y801-I883 HydrophobicContact CE1-CD1 3.83Å; Y801-I883 HydrophobicContact CG-CD1 4.21Å; Y801-I883 HydrophobicContact CG-CG2 4.04Å
802M85.9Confident72.5Confident113 Ų11379 Ų7956%0.55739%0.39SS*.Hα-helixtrans-59.1-28.6179-71.6-66.7-10400113.4I804 G805 T806 L887M802-I804 PolarHBondContact O-N 2.94Å; M802-G805 PolarHBondContact O-N 3.16Å; M802-T806 PolarHBondContact O-N 2.95Å; M802-T806 PolarHBondContact O-OG1 3.37Å; M802-T806 VanDerWaalsContact O-OG1 3.14Å; M802-L887 HydrophobicContact SD-CD2 3.83Å
803H89.8Confident75.3Confident37 Ų3771.5 Ų71.517%0.17136%0.359CS..Hα-helixtrans-64.9-24.7175.471-86.1000113T783 Q800 Y801 M807T783-H803 PolarHBondContact OG1-CD2 3.28Å; T783-H803 PolarHBondContact OG1-O 3.33Å; Q800-H803 PolarHBondContact O-CE1 3.28Å; Q800-H803 PolarHBondContact O-ND1 3.1Å; Y801-H803 PolarHBondContact O-N 3.21Å; Y801-H803 VanDerWaalsContact O-N 3.14Å; H803-M807 PolarHBondContact O-N 3.22Å; H803-M807 VanDerWaalsContact O-N 3.17Å
804I92.6Very high78.1Confident0 Ų065.6 Ų65.60%032%0.319CS..Hα-helixtrans-70.9-45.6173.7-55.8-176.2000109.9C721 Y801 M802 T806 M807 V808 H837 T880 I883 L884C721-I804 HydrophobicContact CB-CG1 4.06Å; Y801-I804 HydrophobicContact CD1-CD1 3.7Å; Y801-I804 HydrophobicContact CG-CD1 4.42Å; Y801-I804 VanDerWaalsContact O-CB 3.28Å; Y801-I804 WeakPolarHBondContact O-CB 3.45Å; Y801-I804 PolarHBondContact O-N 3.28Å; M802-I804 PolarHBondContact O-N 2.94Å; I804-T806 VanDerWaalsContact C-N 3.3Å; I804-T806 PolarHBondContact O-N 3.46Å; I804-M807 WeakPolarHBondContact O-CB 3.35Å; I804-M807 PolarHBondContact O-N 2.94Å; I804-M807 VanDerWaalsContact O-N 3.12Å; I804-V808 PolarHBondContact O-N 2.93Å; I804-V808 VanDerWaalsContact O-N 3.16Å; I804-H837 HydrophobicContact CD1-CB 3.77Å; I804-H837 HydrophobicContact CG1-CB 4.4Å; I804-T880 HydrophobicContact CG2-CG2 4.25Å; I804-I883 HydrophobicContact CD1-CD1 3.9Å; I804-I883 HydrophobicContact CD1-CG2 4.19Å; I804-L884 HydrophobicContact CG2-CD2 4Å; I804-L884 HydrophobicContact CG2-CG 4.45Å
805G91.7Very high80.8Confident7 Ų761.1 Ų61.17%0.07229%0.292CS..Hα-helixtrans-59.2-42.2173.600000111.8M802 M807 V808 E809M802-G805 PolarHBondContact O-N 3.16Å; G805-M807 VanDerWaalsContact C-N 3.26Å; G805-M807 PolarHBondContact O-N 3.36Å; G805-V808 PolarHBondContact O-N 3.32Å; G805-V808 VanDerWaalsContact O-N 3.1Å; G805-E809 WeakPolarHBondContact O-CG 3.4Å; G805-E809 PolarHBondContact O-N 3.21Å
806T93Very high83.4Confident40 Ų4055 Ų5525%0.24527%0.271CS..Hα-helixtrans-60.7-35.4176-56.20000112.3K765 F766 V769 M802 I804 F810K765-T806 WeakPolarHBondContact O-CG2 3.43Å; F766-T806 HydrophobicContact CD1-CG2 4.15Å; V769-T806 HydrophobicContact CG2-CG2 4.14Å; M802-T806 PolarHBondContact O-N 2.95Å; M802-T806 PolarHBondContact O-OG1 3.37Å; M802-T806 VanDerWaalsContact O-OG1 3.14Å; I804-T806 VanDerWaalsContact C-N 3.3Å; I804-T806 PolarHBondContact O-N 3.46Å; T806-F810 WeakPolarHBondContact O-CB 3.43Å; T806-F810 PolarHBondContact O-N 2.99Å
807M95.3Very high85.8Confident0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-66.2-41.3174.6-174.86284.200112.1C721 M723 A781 A782 T783 H803 I804 G805 F810 A811 I835C721-M807 HydrophobicContact CB-CB 4.43Å; C721-M807 WeakPolarHBondContact O-CE 3.48Å; M723-M807 HydrophobicContact CB-CE 4.11Å; M723-M807 HydrophobicContact CB-CG 3.95Å; M723-M807 HydrophobicContact CB-SD 3.55Å; M723-M807 VanDerWaalsContact CB-SD 3.55Å; M723-M807 HydrophobicContact CE-SD 4.14Å; M723-M807 HydrophobicContact CG-SD 4.37Å; M723-M807 HydrophobicContact SD-SD 4.02Å; A781-M807 HydrophobicContact CB-CE 4.34Å; A782-M807 VanDerWaalsContact C-CE 3.44Å; A782-M807 VanDerWaalsContact CA-CE 3.45Å; T783-M807 HydrophobicContact CG2-CB 4.25Å; T783-M807 HydrophobicContact CG2-CE 3.63Å; T783-M807 HydrophobicContact CG2-SD 4.4Å; H803-M807 PolarHBondContact O-N 3.22Å; H803-M807 VanDerWaalsContact O-N 3.17Å; I804-M807 WeakPolarHBondContact O-CB 3.35Å; I804-M807 PolarHBondContact O-N 2.94Å; I804-M807 VanDerWaalsContact O-N 3.12Å; G805-M807 VanDerWaalsContact C-N 3.26Å; G805-M807 PolarHBondContact O-N 3.36Å; M807-F810 WeakPolarHBondContact O-CB 3.41Å; M807-F810 PolarHBondContact O-N 3.16Å; M807-F810 HydrophobicContact SD-CD1 4.35Å; M807-A811 PolarHBondContact O-N 3.03Å; M807-I835 HydrophobicContact CG-CD1 4.29Å
808V95.1Very high87.9Confident0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-66.2-42.8176.4173.80000111.3I804 G805 F810 A811 F812 I835 L884 Y889 V910I804-V808 PolarHBondContact O-N 2.93Å; I804-V808 VanDerWaalsContact O-N 3.16Å; G805-V808 PolarHBondContact O-N 3.32Å; G805-V808 VanDerWaalsContact O-N 3.1Å; V808-F810 VanDerWaalsContact C-N 3.27Å; V808-F810 PolarHBondContact O-N 3.27Å; V808-A811 WeakPolarHBondContact O-CB 3.39Å; V808-A811 PolarHBondContact O-N 3.47Å; V808-A811 VanDerWaalsContact O-N 3.13Å; V808-F812 HydrophobicContact CG1-CD2 4.25Å; V808-F812 HydrophobicContact CG1-CE1 4.13Å; V808-F812 HydrophobicContact CG1-CE2 3.64Å; V808-F812 HydrophobicContact CG1-CZ 3.58Å; V808-F812 WeakPolarHBondContact O-CG 3.47Å; V808-F812 PolarHBondContact O-N 2.98Å; V808-I835 HydrophobicContact CG2-CD1 4.12Å; V808-L884 HydrophobicContact CB-CD2 4.46Å; V808-L884 HydrophobicContact CG2-CD1 3.93Å; V808-L884 HydrophobicContact CG2-CD2 3.63Å; V808-L884 HydrophobicContact CG2-CG 4.45Å; V808-Y889 HydrophobicContact CG1-CD1 4.24Å; V808-Y889 HydrophobicContact CG1-CE1 4.05Å; V808-V910 HydrophobicContact CG1-CG1 4.09Å
809E94.4Very high90.1Very high54 Ų5439.4 Ų39.425%0.25220%0.195SC..Hα-helixtrans-59.2-39.3172.7-69.7-66.3129.900112.3K765 F766 G805 F812 A813 Y889K765-E809 IonicContact NZ-OE2 3.73Å; K765-E809 PolarHBondContact NZ-OE2 3.06Å; F766-E809 HydrophobicContact CE1-CB 4.12Å; G805-E809 WeakPolarHBondContact O-CG 3.4Å; G805-E809 PolarHBondContact O-N 3.21Å; E809-F812 PolarHBondContact O-N 3.3Å; E809-A813 PolarHBondContact O-N 3.1Å; E809-Y889 VanDerWaalsContact CG-OH 3.32Å; E809-Y889 WeakPolarHBondContact CG-OH 3.4Å; E809-Y889 WeakPolarHBondContact OE1-CE1 3.41Å; E809-Y889 PolarHBondContact OE1-OH 3.05Å
810F96.4Very high91.6Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-64.7-43.9174.9-176.7-109000110.7M723 L760 L761 F766 V769 Y779 A781 T806 M807 V808 F812 A813 L814M723-F810 HydrophobicContact CE-CD1 3.66Å; M723-F810 HydrophobicContact CE-CE1 3.75Å; L760-F810 HydrophobicContact CB-CD2 4.39Å; L760-F810 HydrophobicContact CB-CE2 3.71Å; L760-F810 HydrophobicContact CD1-CE2 4.25Å; L761-F810 HydrophobicContact CD2-CE2 3.67Å; L761-F810 HydrophobicContact CD2-CZ 3.66Å; L761-F810 HydrophobicContact CG-CE2 4.38Å; L761-F810 HydrophobicContact CG-CZ 4.33Å; F766-F810 HydrophobicContact CB-CD2 4.24Å; F766-F810 HydrophobicContact CD1-CB 3.88Å; F766-F810 AromaticContact CD1-CD2 3.84Å; F766-F810 HydrophobicContact CD1-CD2 3.84Å; F766-F810 HydrophobicContact CD1-CG 4.32Å; F766-F810 HydrophobicContact CD2-CD2 4.1Å; F766-F810 HydrophobicContact CE1-CB 3.81Å; F766-F810 HydrophobicContact CE1-CD2 4.17Å; F766-F810 HydrophobicContact CE2-CD2 4.41Å; F766-F810 AromaticContact CG-CD2 3.81Å; F766-F810 HydrophobicContact CG-CD2 3.81Å; F766-F810 HydrophobicContact CZ-CD2 4.44Å; V769-F810 HydrophobicContact CG1-CD1 3.91Å; V769-F810 HydrophobicContact CG1-CE1 3.98Å; V769-F810 HydrophobicContact CG1-CG 4.2Å; V769-F810 HydrophobicContact CG1-CZ 4.31Å; V769-F810 HydrophobicContact CG2-CB 4.24Å; V769-F810 HydrophobicContact CG2-CD2 4.43Å; V769-F810 HydrophobicContact CG2-CG 4.21Å; Y779-F810 HydrophobicContact CE1-CE1 4.01Å; Y779-F810 HydrophobicContact CE1-CZ 4.16Å; A781-F810 HydrophobicContact CB-CE1 4.37Å; T806-F810 WeakPolarHBondContact O-CB 3.43Å; T806-F810 PolarHBondContact O-N 2.99Å; M807-F810 WeakPolarHBondContact O-CB 3.41Å; M807-F810 PolarHBondContact O-N 3.16Å; M807-F810 HydrophobicContact SD-CD1 4.35Å; V808-F810 VanDerWaalsContact C-N 3.27Å; V808-F810 PolarHBondContact O-N 3.27Å; F810-F812 VanDerWaalsContact C-N 3.33Å; F810-F812 PolarHBondContact O-N 3.28Å; F810-A813 WeakPolarHBondContact O-CB 3.42Å; F810-A813 PolarHBondContact O-N 3.23Å; F810-A813 VanDerWaalsContact O-N 3.11Å; F810-L814 HydrophobicContact CD1-CD1 4.13Å; F810-L814 HydrophobicContact CD1-CG 4.35Å; F810-L814 HydrophobicContact CE1-CD1 3.8Å; F810-L814 HydrophobicContact CE1-CD2 4.13Å; F810-L814 HydrophobicContact CE1-CG 4.07Å; F810-L814 HydrophobicContact CE2-CD2 4.48Å; F810-L814 HydrophobicContact CZ-CD1 4.44Å; F810-L814 HydrophobicContact CZ-CD2 3.93Å; F810-L814 HydrophobicContact CZ-CG 4.29Å; F810-L814 WeakPolarHBondContact O-CG 3.45Å; F810-L814 PolarHBondContact O-N 3.14Å
811A96.2Very high92.7Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-58.1-42.2174.500000112.5M723 M807 V808 L814 V815 I833 I835 I874M723-A811 HydrophobicContact SD-CB 3.68Å; M807-A811 PolarHBondContact O-N 3.03Å; V808-A811 WeakPolarHBondContact O-CB 3.39Å; V808-A811 PolarHBondContact O-N 3.47Å; V808-A811 VanDerWaalsContact O-N 3.13Å; A811-L814 WeakPolarHBondContact O-CB 3.44Å; A811-L814 PolarHBondContact O-N 3.3Å; A811-V815 WeakPolarHBondContact O-CG2 3.38Å; A811-V815 PolarHBondContact O-N 2.89Å; A811-V815 VanDerWaalsContact O-N 3.1Å; A811-I833 HydrophobicContact CB-CD1 3.93Å; A811-I833 HydrophobicContact CB-CG2 4.32Å; A811-I835 HydrophobicContact CB-CD1 4.24Å; A811-I874 HydrophobicContact CB-CD1 3.67Å
812F94.4Very high93.3Very high42 Ų4227.7 Ų27.718%0.18416%0.156CC..Hα-helixtrans-63.8-40.9173.6-63.2-27.4000112.5V808 E809 F810 L814 V815 G816 I874 Y889 V910 T912V808-F812 HydrophobicContact CG1-CD2 4.25Å; V808-F812 HydrophobicContact CG1-CE1 4.13Å; V808-F812 HydrophobicContact CG1-CE2 3.64Å; V808-F812 HydrophobicContact CG1-CZ 3.58Å; V808-F812 WeakPolarHBondContact O-CG 3.47Å; V808-F812 PolarHBondContact O-N 2.98Å; E809-F812 PolarHBondContact O-N 3.3Å; F810-F812 VanDerWaalsContact C-N 3.33Å; F810-F812 PolarHBondContact O-N 3.28Å; F812-L814 VanDerWaalsContact C-N 3.3Å; F812-L814 PolarHBondContact O-N 3.27Å; F812-V815 PolarHBondContact O-N 3.48Å; F812-G816 PolarHBondContact O-N 3.43Å; F812-I874 HydrophobicContact CD1-CD1 3.57Å; F812-I874 HydrophobicContact CE1-CD1 3.41Å; F812-I874 VanDerWaalsContact CE1-CD1 3.41Å; F812-I874 HydrophobicContact CZ-CD1 4.48Å; F812-Y889 HydrophobicContact CE2-CD1 4.32Å; F812-Y889 AromaticContact CE2-CE1 3.98Å; F812-Y889 HydrophobicContact CE2-CE1 3.98Å; F812-V910 HydrophobicContact CZ-CG1 4.14Å; F812-T912 HydrophobicContact CD1-CG2 3.34Å; F812-T912 HydrophobicContact CE1-CG2 3.25Å; F812-T912 HydrophobicContact CG-CG2 4.22Å; F812-T912 HydrophobicContact CZ-CG2 4.07Å
813A95.6Very high93.5Very high26 Ų2630 Ų3022%0.21516%0.163CC..Hα-helixtrans-64-35.417600000112.3L760 F766 E809 F810 G816 K817L760-A813 HydrophobicContact CD1-CB 3.84Å; L760-A813 HydrophobicContact CD2-CB 4.31Å; F766-A813 HydrophobicContact CE2-CB 4.16Å; F766-A813 HydrophobicContact CZ-CB 3.94Å; E809-A813 PolarHBondContact O-N 3.1Å; F810-A813 WeakPolarHBondContact O-CB 3.42Å; F810-A813 PolarHBondContact O-N 3.23Å; F810-A813 VanDerWaalsContact O-N 3.11Å; A813-G816 PolarHBondContact O-N 3.03Å; A813-K817 WeakPolarHBondContact O-CB 3.42Å; A813-K817 PolarHBondContact O-N 3.2Å
814L95.8Very high93.3Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-63.2-46.2173-66.2178.3000111.7M723 A725 F757 L760 F810 A811 F812 G816 K817 L818 L831M723-L814 HydrophobicContact CE-CD1 3.48Å; M723-L814 VanDerWaalsContact CE-CD1 3.48Å; M723-L814 HydrophobicContact SD-CD1 4.3Å; A725-L814 HydrophobicContact CB-CD1 4.2Å; F757-L814 HydrophobicContact CB-CD2 3.61Å; F757-L814 HydrophobicContact CD1-CD2 3.36Å; F757-L814 HydrophobicContact CD2-CD2 3.78Å; F757-L814 HydrophobicContact CE1-CB 4.19Å; F757-L814 HydrophobicContact CE1-CD2 3.87Å; F757-L814 WeakPolarHBondContact CE1-O 3.32Å; F757-L814 HydrophobicContact CE2-CD2 4.24Å; F757-L814 HydrophobicContact CG-CD2 3.3Å; F757-L814 HydrophobicContact CZ-CB 4.36Å; F757-L814 HydrophobicContact CZ-CD2 4.28Å; L760-L814 HydrophobicContact CD1-CD2 3.9Å; F810-L814 HydrophobicContact CD1-CD1 4.13Å; F810-L814 HydrophobicContact CD1-CG 4.35Å; F810-L814 HydrophobicContact CE1-CD1 3.8Å; F810-L814 HydrophobicContact CE1-CD2 4.13Å; F810-L814 HydrophobicContact CE1-CG 4.07Å; F810-L814 HydrophobicContact CE2-CD2 4.48Å; F810-L814 HydrophobicContact CZ-CD1 4.44Å; F810-L814 HydrophobicContact CZ-CD2 3.93Å; F810-L814 HydrophobicContact CZ-CG 4.29Å; F810-L814 WeakPolarHBondContact O-CG 3.45Å; F810-L814 PolarHBondContact O-N 3.14Å; A811-L814 WeakPolarHBondContact O-CB 3.44Å; A811-L814 PolarHBondContact O-N 3.3Å; F812-L814 VanDerWaalsContact C-N 3.3Å; F812-L814 PolarHBondContact O-N 3.27Å; L814-G816 VanDerWaalsContact C-N 3.34Å; L814-G816 PolarHBondContact O-N 3.28Å; L814-K817 PolarHBondContact O-N 2.94Å; L814-L818 PolarHBondContact O-N 3.3Å; L814-L831 HydrophobicContact CB-CD1 3.8Å
815V94.3Very high92.9Very high39 Ų3936.9 Ų36.924%0.23620%0.199CC..Hα-helixtrans-57.8-48.7175.71750000110.2A811 F812 K817 L818 D819 L831 I833A811-V815 WeakPolarHBondContact O-CG2 3.38Å; A811-V815 PolarHBondContact O-N 2.89Å; A811-V815 VanDerWaalsContact O-N 3.1Å; F812-V815 PolarHBondContact O-N 3.48Å; V815-K817 PolarHBondContact O-N 3.37Å; V815-L818 PolarHBondContact O-N 2.84Å; V815-D819 PolarHBondContact O-N 3.47Å; V815-L831 HydrophobicContact CG2-CB 4.48Å; V815-L831 HydrophobicContact CG2-CD1 3.92Å; V815-I833 HydrophobicContact CG2-CD1 4.1Å
816G93.5Very high92.7Very high31 Ų3146 Ų4632%0.3224%0.236SC..Hα-helixtrans-63-38.5179.100000113.8F812 A813 L814 D819 V820F812-G816 PolarHBondContact O-N 3.43Å; A813-G816 PolarHBondContact O-N 3.03Å; L814-G816 VanDerWaalsContact C-N 3.34Å; L814-G816 PolarHBondContact O-N 3.28Å; G816-D819 PolarHBondContact O-N 2.95Å; G816-V820 WeakPolarHBondContact O-CG2 3.32Å; G816-V820 PolarHBondContact O-N 2.86Å
817K93.8Very high92.4Very high46 Ų4646.3 Ų46.320%0.224%0.237CC..Hα-helixtrans-64.7-43173.5-87.6-68.1-149.2156.60111.4D756 F757 E759 L760 A813 L814 V815 D819 V820 I821D756-K817 HydrophobicContact CB-CD 4.33Å; D756-K817 IonicContact OD1-NZ 3.7Å; D756-K817 WeakPolarHBondContact OD2-CD 3.46Å; D756-K817 IonicContact OD2-NZ 2.87Å; D756-K817 PolarHBondContact OD2-NZ 3.32Å; F757-K817 HydrophobicContact CD1-CB 4.29Å; F757-K817 HydrophobicContact CE1-CB 4.18Å; E759-K817 IonicContact OE2-NZ 3.51Å; E759-K817 PolarHBondContact OE2-NZ 2.96Å; E759-K817 VanDerWaalsContact OE2-NZ 3.08Å; L760-K817 HydrophobicContact CD1-CG 3.99Å; L760-K817 HydrophobicContact CD2-CG 4.14Å; L760-K817 HydrophobicContact CG-CG 4.19Å; A813-K817 WeakPolarHBondContact O-CB 3.42Å; A813-K817 PolarHBondContact O-N 3.2Å; L814-K817 PolarHBondContact O-N 2.94Å; V815-K817 PolarHBondContact O-N 3.37Å; K817-D819 VanDerWaalsContact C-N 3.33Å; K817-D819 PolarHBondContact O-N 2.76Å; K817-V820 WeakPolarHBondContact O-CB 3.49Å; K817-V820 PolarHBondContact O-N 3.03Å; K817-I821 WeakPolarHBondContact O-CG1 3.42Å; K817-I821 PolarHBondContact O-N 2.96Å; K817-I821 VanDerWaalsContact O-N 3.11Å
818L93.9Very high92.2Very high2 Ų251.4 Ų51.41%0.0126%0.264CS..Hα-helixtrans-63.5-39.5177-171.464.1000111.8I753 F757 L814 V815 V820 I821 N822 F829 L831I753-L818 HydrophobicContact CD1-CD1 4.16Å; I753-L818 HydrophobicContact CG1-CD1 4.24Å; I753-L818 HydrophobicContact CG2-CD1 4.11Å; F757-L818 HydrophobicContact CE1-CB 4.48Å; F757-L818 HydrophobicContact CZ-CB 4.42Å; L814-L818 PolarHBondContact O-N 3.3Å; V815-L818 PolarHBondContact O-N 2.84Å; L818-V820 VanDerWaalsContact C-N 3.27Å; L818-V820 PolarHBondContact O-N 3.18Å; L818-I821 PolarHBondContact O-N 3.05Å; L818-I821 VanDerWaalsContact O-N 3.13Å; L818-N822 WeakPolarHBondContact O-CB 3.29Å; L818-N822 PolarHBondContact O-N 3.47Å; L818-F829 HydrophobicContact CD1-CB 4.08Å; L818-F829 HydrophobicContact CD2-CB 3.95Å; L818-F829 VanDerWaalsContact CD2-O 3.27Å; L818-F829 WeakPolarHBondContact CD2-O 3.41Å; L818-F829 HydrophobicContact CG-CB 4.24Å; L818-L831 HydrophobicContact CD2-CD1 4.38Å; L818-L831 HydrophobicContact CD2-CD2 3.88Å; L818-L831 HydrophobicContact CD2-CG 3.59Å
819D92.4Very high92.1Very high53 Ų5351.8 Ų51.828%0.28327%0.266SS..Hα-helixtrans-61.4-34.8175.7-73.7-24.9000112.6V815 G816 K817 K823V815-D819 PolarHBondContact O-N 3.47Å; G816-D819 PolarHBondContact O-N 2.95Å; K817-D819 VanDerWaalsContact C-N 3.33Å; K817-D819 PolarHBondContact O-N 2.76Å; D819-K823 WeakPolarHBondContact O-CG 2.97Å; D819-K823 PolarHBondContact O-N 3.21Å
820V92.1Very high92Very high65 Ų6552.5 Ų52.539%0.39427%0.268SS..Hα-helixtrans-66.3-46.1173.3172.60000110.4G816 K817 L818 N822 K823 H824G816-V820 WeakPolarHBondContact O-CG2 3.32Å; G816-V820 PolarHBondContact O-N 2.86Å; K817-V820 WeakPolarHBondContact O-CB 3.49Å; K817-V820 PolarHBondContact O-N 3.03Å; L818-V820 VanDerWaalsContact C-N 3.27Å; L818-V820 PolarHBondContact O-N 3.18Å; V820-N822 VanDerWaalsContact C-N 3.33Å; V820-N822 PolarHBondContact O-N 3.31Å; V820-K823 WeakPolarHBondContact O-CB 3.49Å; V820-K823 PolarHBondContact O-N 3.12Å; V820-H824 PolarHBondContact O-CD2 3.48Å; V820-H824 PolarHBondContact O-N 3.43Å
821I90.5Very high91.9Very high17 Ų1752.8 Ų52.89%0.08727%0.27CS..Hα-helixtrans-63.2-40.1178.2-64.7172.5000111.3L749 I753 D756 K817 L818 K823 H824 S825L749-I821 HydrophobicContact CD1-CG2 4.22Å; I753-I821 HydrophobicContact CB-CD1 4.16Å; I753-I821 HydrophobicContact CG1-CD1 3.72Å; I753-I821 HydrophobicContact CG1-CG2 3.96Å; D756-I821 HydrophobicContact CB-CD1 3.96Å; K817-I821 WeakPolarHBondContact O-CG1 3.42Å; K817-I821 PolarHBondContact O-N 2.96Å; K817-I821 VanDerWaalsContact O-N 3.11Å; L818-I821 PolarHBondContact O-N 3.05Å; L818-I821 VanDerWaalsContact O-N 3.13Å; I821-K823 VanDerWaalsContact C-N 3.32Å; I821-K823 PolarHBondContact O-N 3.34Å; I821-H824 PolarHBondContact O-N 3.41Å; I821-H824 VanDerWaalsContact O-N 3.16Å; I821-S825 VanDerWaalsContact O-CB 3.3Å; I821-S825 WeakPolarHBondContact O-CB 3.34Å; I821-S825 PolarHBondContact O-N 3.36Å; I821-S825 PolarHBondContact O-OG 2.9Å
822N92.3Very high91.9Very high10 Ų1055.5 Ų55.55%0.05328%0.28CS..Hα-helixtrans-56.9-44.6175.1-80.5-19.4000111.6L818 V820 H824 S825 F826 N827 F829L818-N822 WeakPolarHBondContact O-CB 3.29Å; L818-N822 PolarHBondContact O-N 3.47Å; V820-N822 VanDerWaalsContact C-N 3.33Å; V820-N822 PolarHBondContact O-N 3.31Å; N822-H824 VanDerWaalsContact C-N 3.34Å; N822-H824 PolarHBondContact O-N 3.23Å; N822-S825 PolarHBondContact O-N 2.88Å; N822-F826 PolarHBondContact O-N 2.85Å; N822-N827 CarbonylContact C-O 3.51Å; N822-N827 WeakPolarHBondContact CA-O 3.44Å; N822-N827 WeakPolarHBondContact CB-O 3.29Å; N822-N827 PolarHBondContact O-N 2.9Å; N822-N827 PolarHBondContact OD1-O 3.38Å; N822-F829 PolarHBondContact ND2-N 3.34Å; N822-F829 PolarHBondContact ND2-O 3.47Å; N822-F829 WeakPolarHBondContact OD1-CD2 3.23Å; N822-F829 PolarHBondContact OD1-N 2.93Å
823K90.3Very high92Very high161 Ų16153.5 Ų53.570%0.727%0.271SS*.Hα-helixtrans-62.1-38.1176-70.7171.9-174.3177.90113.1D819 V820 I821D819-K823 WeakPolarHBondContact O-CG 2.97Å; D819-K823 PolarHBondContact O-N 3.21Å; V820-K823 WeakPolarHBondContact O-CB 3.49Å; V820-K823 PolarHBondContact O-N 3.12Å; I821-K823 VanDerWaalsContact C-N 3.32Å; I821-K823 PolarHBondContact O-N 3.34Å
824H86.4Confident92.1Very high150 Ų15052.3 Ų52.369%0.69426%0.261SS*.Hα-helixtrans-83.7-27.1-178.3-71.2-64.4000114V820 I821 N822V820-H824 PolarHBondContact O-CD2 3.48Å; V820-H824 PolarHBondContact O-N 3.43Å; I821-H824 PolarHBondContact O-N 3.41Å; I821-H824 VanDerWaalsContact O-N 3.16Å; N822-H824 VanDerWaalsContact C-N 3.34Å; N822-H824 PolarHBondContact O-N 3.23Å
825S84.6Confident92.2Very high32 Ų3252.3 Ų52.322%0.22426%0.261CS..Hα-helixtrans-98.7-3.4-177.665.80000113.9I821 N822 N827I821-S825 VanDerWaalsContact O-CB 3.3Å; I821-S825 WeakPolarHBondContact O-CB 3.34Å; I821-S825 PolarHBondContact O-N 3.36Å; I821-S825 PolarHBondContact O-OG 2.9Å; N822-S825 PolarHBondContact O-N 2.88Å; S825-N827 WeakPolarHBondContact CB-ND2 3.13Å; S825-N827 PolarHBondContact O-N 3.1Å; S825-N827 PolarHBondContact O-ND2 3.33Å; S825-N827 PolarHBondContact OG-ND2 3.04Å; S825-N827 VanDerWaalsContact OG-ND2 3.11Å
826F86.1Confident92.2Very high197 Ų19750.9 Ų50.986%0.86425%0.252SS*.THydrogen-bonded Turntrans56.334.1-173.8-54.8-84.8000113.2N822N822-F826 PolarHBondContact O-N 2.85Å
827N87.5Confident92.3Very high48 Ų4850.4 Ų50.426%0.25724%0.242SC..  trans-112.7169.6173.9-66.9-69.9000110.6N822 S825 F829N822-N827 CarbonylContact C-O 3.51Å; N822-N827 WeakPolarHBondContact CA-O 3.44Å; N822-N827 WeakPolarHBondContact CB-O 3.29Å; N822-N827 PolarHBondContact O-N 2.9Å; N822-N827 PolarHBondContact OD1-O 3.38Å; S825-N827 WeakPolarHBondContact CB-ND2 3.13Å; S825-N827 PolarHBondContact O-N 3.1Å; S825-N827 PolarHBondContact O-ND2 3.33Å; S825-N827 PolarHBondContact OG-ND2 3.04Å; S825-N827 VanDerWaalsContact OG-ND2 3.11Å; N827-F829 HydrophobicContact CB-CD2 3.76Å; N827-F829 HydrophobicContact CB-CE2 3.44Å; N827-F829 VanDerWaalsContact CB-CE2 3.44Å; N827-F829 HydrophobicContact CB-CZ 3.96Å
828D90.6Very high92.2Very high106 Ų10648.7 Ų48.757%0.56724%0.236SC*.  trans-131.254.9173.8-169.335.6000111.8K830D828-K830 PolarHBondContact O-N 2.91Å; D828-K830 VanDerWaalsContact OD1-CE 3.31Å; D828-K830 WeakPolarHBondContact OD1-CE 3.23Å; D828-K830 IonicContact OD1-NZ 2.68Å; D828-K830 PolarHBondContact OD1-NZ 2.91Å; D828-K830 WeakPolarHBondContact OD2-CE 3.5Å; D828-K830 IonicContact OD2-NZ 3.86Å
829F93.2Very high92Very high8 Ų852.6 Ų52.64%0.03526%0.262CS..  trans-64.5131.7176.6-62.9-60.9000110.9I727 D729 F730 F733 L749 I753 L818 N822 N827I727-F829 HydrophobicContact CG2-CB 3.89Å; I727-F829 HydrophobicContact CG2-CD1 3.96Å; I727-F829 HydrophobicContact CG2-CG 4.13Å; D729-F829 HydrophobicContact CB-CD1 4.24Å; F730-F829 HydrophobicContact CD2-CE1 4.43Å; F733-F829 HydrophobicContact CB-CE1 3.82Å; F733-F829 HydrophobicContact CB-CZ 4.18Å; F733-F829 HydrophobicContact CD1-CE1 4.31Å; F733-F829 AromaticContact CD1-CZ 3.89Å; F733-F829 HydrophobicContact CD1-CZ 3.89Å; F733-F829 HydrophobicContact CD2-CE1 4.29Å; F733-F829 AromaticContact CD2-CZ 3.89Å; F733-F829 HydrophobicContact CD2-CZ 3.89Å; F733-F829 HydrophobicContact CE1-CZ 4.23Å; F733-F829 HydrophobicContact CE2-CZ 4.23Å; F733-F829 AromaticContact CG-CE1 3.89Å; F733-F829 HydrophobicContact CG-CE1 3.89Å; F733-F829 AromaticContact CG-CZ 3.71Å; F733-F829 HydrophobicContact CG-CZ 3.71Å; F733-F829 HydrophobicContact CZ-CZ 4.4Å; L749-F829 HydrophobicContact CD2-CE2 3.82Å; L749-F829 HydrophobicContact CD2-CZ 4.17Å; I753-F829 HydrophobicContact CD1-CD2 4.41Å; L818-F829 HydrophobicContact CD1-CB 4.08Å; L818-F829 HydrophobicContact CD2-CB 3.95Å; L818-F829 VanDerWaalsContact CD2-O 3.27Å; L818-F829 WeakPolarHBondContact CD2-O 3.41Å; L818-F829 HydrophobicContact CG-CB 4.24Å; N822-F829 PolarHBondContact ND2-N 3.34Å; N822-F829 PolarHBondContact ND2-O 3.47Å; N822-F829 WeakPolarHBondContact OD1-CD2 3.23Å; N822-F829 PolarHBondContact OD1-N 2.93Å; N827-F829 HydrophobicContact CB-CD2 3.76Å; N827-F829 HydrophobicContact CB-CE2 3.44Å; N827-F829 VanDerWaalsContact CB-CE2 3.44Å; N827-F829 HydrophobicContact CB-CZ 3.96Å
830K92.9Very high91.9Very high70 Ų7050.2 Ų50.230%0.30425%0.249SC..  trans-109.4140.1172.1-59.7-53.8-170.2-158.50111.6D729 D828 L871D729-K830 PolarHBondContact OD2-N 2.81Å; D729-K830 VanDerWaalsContact OD2-N 3.16Å; D828-K830 PolarHBondContact O-N 2.91Å; D828-K830 VanDerWaalsContact OD1-CE 3.31Å; D828-K830 WeakPolarHBondContact OD1-CE 3.23Å; D828-K830 IonicContact OD1-NZ 2.68Å; D828-K830 PolarHBondContact OD1-NZ 2.91Å; D828-K830 WeakPolarHBondContact OD2-CE 3.5Å; D828-K830 IonicContact OD2-NZ 3.86Å; K830-L871 HydrophobicContact CB-CB 4.27Å
831L94.4Very high91.7Very high6 Ų648.2 Ų48.23%0.03124%0.236CC..  trans-79.4142.6170.9-69.2176000111S726 I727 F757 L814 V815 L818 I833 G872S726-L831 WeakPolarHBondContact O-CA 3.32Å; I727-L831 HydrophobicContact CD1-CD2 4.49Å; I727-L831 HydrophobicContact CG1-CD2 3.59Å; F757-L831 HydrophobicContact CE2-CD2 4.47Å; F757-L831 HydrophobicContact CZ-CD1 4.28Å; F757-L831 HydrophobicContact CZ-CD2 4.28Å; L814-L831 HydrophobicContact CB-CD1 3.8Å; V815-L831 HydrophobicContact CG2-CB 4.48Å; V815-L831 HydrophobicContact CG2-CD1 3.92Å; L818-L831 HydrophobicContact CD2-CD1 4.38Å; L818-L831 HydrophobicContact CD2-CD2 3.88Å; L818-L831 HydrophobicContact CD2-CG 3.59Å; L831-I833 HydrophobicContact CB-CD1 4.14Å; L831-I833 HydrophobicContact CB-CG1 3.93Å; L831-I833 HydrophobicContact CD1-CD1 4.05Å; L831-G872 VanDerWaalsContact O-CA 3.31Å; L831-G872 WeakPolarHBondContact O-CA 3.37Å; L831-G872 PolarHBondContact O-N 3.43Å
832R95.1Very high91.6Very high56 Ų5647.4 Ų47.421%0.21123%0.232CC..EExtended strand (participates in β ladder)trans-113.7116.4163.5-173-174-60.5-171.30.4107.7S726 P728 E866 T867 G869 L871S726-R832 PolarHBondContact N-O 3.24Å; S726-R832 PolarHBondContact O-N 3.28Å; P728-R832 HydrophobicContact CG-CB 3.86Å; R832-E866 WeakPolarHBondContact CD-O 3.44Å; R832-E866 WeakPolarHBondContact CG-O 3.46Å; R832-T867 PolarHBondContact NH1-O 3.05Å; R832-G869 WeakPolarHBondContact CD-O 3.48Å; R832-G869 PolarHBondContact NE-O 3.23Å; R832-L871 HydrophobicContact CB-CD2 4.48Å
833I97.1Very high91.3Very high1 Ų146.9 Ų46.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-119.4127.1-171.7-51.8-175.6000110.4M723 F724 A725 A811 V815 L831 I835 K873 I874 Q875M723-I833 HydrophobicContact CG-CG2 3.65Å; M723-I833 HydrophobicContact SD-CG2 3.84Å; F724-I833 CarbonylContact O-C 3.52Å; F724-I833 WeakPolarHBondContact O-CA 3.44Å; A725-I833 HydrophobicContact CB-CD1 4.29Å; A725-I833 HydrophobicContact CB-CG1 3.93Å; A725-I833 HydrophobicContact CB-CG2 4.45Å; A811-I833 HydrophobicContact CB-CD1 3.93Å; A811-I833 HydrophobicContact CB-CG2 4.32Å; V815-I833 HydrophobicContact CG2-CD1 4.1Å; L831-I833 HydrophobicContact CB-CD1 4.14Å; L831-I833 HydrophobicContact CB-CG1 3.93Å; L831-I833 HydrophobicContact CD1-CD1 4.05Å; I833-I835 HydrophobicContact CG2-CD1 4.24Å; I833-I835 HydrophobicContact CG2-CG1 4.02Å; I833-K873 PolarHBondContact N-O 3.49Å; I833-I874 HydrophobicContact CB-CG1 4.17Å; I833-I874 HydrophobicContact CB-CG2 4.4Å; I833-I874 HydrophobicContact CD1-CG1 4.27Å; I833-I874 HydrophobicContact CG2-CG2 4.2Å; I833-I874 WeakPolarHBondContact O-CA 3.46Å; I833-Q875 PolarHBondContact O-N 2.9Å
834G97.1Very high91Very high0 Ų039.2 Ų39.20%020%0.196CC..EExtended strand (participates in β ladder)trans-115.2128.4170.800000111.2M723 F724 Q875M723-G834 WeakPolarHBondContact CA-O 3.36Å; F724-G834 PolarHBondContact N-O 3Å; F724-G834 PolarHBondContact O-N 2.93Å; G834-Q875 WeakPolarHBondContact CA-O 3.28Å
835I97.2Very high90.7Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-126.2136.3178.3-60.4172.6000109.7C721 V722 M723 M807 V808 A811 I833 I874 Q875 V876 T880C721-I835 WeakPolarHBondContact SG-CG2 3.29Å; V722-I835 WeakPolarHBondContact O-CA 3.48Å; M723-I835 HydrophobicContact CB-CG1 3.98Å; M723-I835 HydrophobicContact CG-CD1 4.3Å; M723-I835 HydrophobicContact CG-CG1 3.78Å; M723-I835 HydrophobicContact SD-CD1 4.41Å; M807-I835 HydrophobicContact CG-CD1 4.29Å; V808-I835 HydrophobicContact CG2-CD1 4.12Å; A811-I835 HydrophobicContact CB-CD1 4.24Å; I833-I835 HydrophobicContact CG2-CD1 4.24Å; I833-I835 HydrophobicContact CG2-CG1 4.02Å; I835-I874 HydrophobicContact CD1-CG2 3.73Å; I835-I874 HydrophobicContact CG1-CG2 4.26Å; I835-Q875 PolarHBondContact N-O 3.3Å; I835-V876 HydrophobicContact CB-CG1 4Å; I835-V876 WeakPolarHBondContact O-CA 3.43Å; I835-T880 HydrophobicContact CG2-CG2 4.48Å
836N95.8Very high90Very high9 Ų930.6 Ų30.65%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-145.8149.6168.7-178.169.7000109.6V722 S858 V861 A862 T877V722-N836 PolarHBondContact N-O 3.49Å; V722-N836 PolarHBondContact O-N 3.3Å; V722-N836 VanDerWaalsContact O-N 3.11Å; N836-S858 PolarHBondContact ND2-O 2.97Å; N836-V861 HydrophobicContact CB-CG1 4.13Å; N836-A862 HydrophobicContact CB-CB 3.92Å; N836-T877 HydrophobicContact CB-CG2 4.36Å; N836-T877 WeakPolarHBondContact OD1-CB 3.5Å; N836-T877 WeakPolarHBondContact OD1-CG2 3.46Å; N836-T877 PolarHBondContact OD1-OG1 3.4Å
837H94.5Very high89Confident22 Ų2221.8 Ų21.810%0.10212%0.116CC..EExtended strand (participates in β ladder)trans-114.3159.5172.678.3-73.2000111.4V720 C721 I804 T880 I883V720-H837 CarbonylContact O-C 3.56Å; V720-H837 VanDerWaalsContact O-CA 3.26Å; V720-H837 WeakPolarHBondContact O-CA 3.22Å; C721-H837 HydrophobicContact CB-CB 4.35Å; I804-H837 HydrophobicContact CD1-CB 3.77Å; I804-H837 HydrophobicContact CG1-CB 4.4Å; H837-T880 PolarHBondContact N-OG1 3.39Å; H837-T880 PolarHBondContact ND1-OG1 3.47Å; H837-I883 VanDerWaalsContact CE1-CD1 3.41Å; H837-I883 WeakPolarHBondContact CE1-CD1 3.34Å; H837-I883 WeakPolarHBondContact NE2-CD1 3.37Å
838G91.8Very high87.7Confident9 Ų923.6 Ų23.69%0.09312%0.123CC..EExtended strand (participates in β ladder)trans153-168.7174.600000112.7E718 V720 S858E718-G838 CarbonylContact O-C 3.6Å; V720-G838 PolarHBondContact N-O 3.24Å; V720-G838 PolarHBondContact O-N 3.15Å; G838-S858 VanDerWaalsContact C-OG 3.3Å; G838-S858 WeakPolarHBondContact CA-OG 3.46Å
839P89.6Confident86.9Confident84 Ų8421 Ų2155%0.54511%0.106SC..EExtended strand (participates in β ladder)trans-70.9141.8-17828.1-34.7000111.6Y717 E718 S858Y717-P839 CarbonylContact O-C 3.59Å; Y717-P839 VanDerWaalsContact O-CA 3.26Å; Y717-P839 WeakPolarHBondContact O-CA 3.12Å; E718-P839 VanDerWaalsContact O-CA 3.25Å; E718-P839 WeakPolarHBondContact O-CA 3.43Å; P839-S858 PolarHBondContact O-OG 3.34Å
840V90Very high86.1Confident3 Ų320.9 Ų20.92%0.01811%0.106CC..EExtended strand (participates in β ladder)trans-143.5156.9176.5-56.60000110.8Y717 V720 V722 L785 V859Y717-V840 HydrophobicContact CD2-CG2 4.43Å; Y717-V840 PolarHBondContact N-O 3.36Å; Y717-V840 PolarHBondContact O-N 2.96Å; V720-V840 HydrophobicContact CB-CG1 4.21Å; V720-V840 HydrophobicContact CB-CG2 3.52Å; V720-V840 HydrophobicContact CG1-CG1 4.45Å; V720-V840 HydrophobicContact CG1-CG2 3.85Å; V720-V840 HydrophobicContact CG2-CG2 3.43Å; V720-V840 VanDerWaalsContact CG2-CG2 3.43Å; V722-V840 HydrophobicContact CG2-CG1 4.28Å; L785-V840 HydrophobicContact CD2-CG2 4.4Å; V840-V859 HydrophobicContact CG1-CG2 3.93Å
841I88.3Confident85.4Confident23 Ų2318.5 Ų18.512%0.11810%0.097CC..EExtended strand (participates in β ladder)trans-112.9122174.8-62.1159.7000107.1P137 L140 V141 I854 W855P137-I841 HydrophobicContact CB-CB 4.48Å; P137-I841 HydrophobicContact CB-CD1 4.04Å; P137-I841 HydrophobicContact CB-CG1 3.84Å; P137-I841 HydrophobicContact CB-CG2 3.83Å; P137-I841 HydrophobicContact CG-CD1 4Å; P137-I841 HydrophobicContact CG-CG1 3.88Å; L140-I841 HydrophobicContact CD2-CD1 3.9Å; V141-I841 HydrophobicContact CG2-CG2 4.21Å; I841-I854 CarbonylContact O-C 3.6Å; I841-I854 WeakPolarHBondContact O-CA 3.32Å; I841-W855 PolarHBondContact N-O 3.43Å; I841-W855 PolarHBondContact O-N 3.22Å
842A88.6Confident85.1Confident0 Ų018.9 Ų18.90%010%0.097CC..EExtended strand (participates in β ladder)trans-98.3149.9169.700000110.3H714 Q715 Y717 Y852 D853 I854H714-A842 CarbonylContact C-O 3.58Å; H714-A842 VanDerWaalsContact CA-O 3.32Å; H714-A842 WeakPolarHBondContact CA-O 3.42Å; Q715-A842 PolarHBondContact N-O 3.27Å; Q715-A842 PolarHBondContact O-N 2.97Å; Y717-A842 HydrophobicContact CD2-CB 4.25Å; Y717-A842 HydrophobicContact CE2-CB 3.67Å; A842-Y852 HydrophobicContact CB-CE2 3.93Å; A842-Y852 WeakPolarHBondContact CB-OH 3.5Å; A842-D853 WeakPolarHBondContact CA-O 3.23Å; A842-I854 HydrophobicContact CB-CG2 3.92Å
843G87Confident84.8Confident0 Ų016.4 Ų16.40%09%0.088CC..EExtended strand (participates in β ladder)trans-171169.6176.300000113.1Y713 Y852 D853Y713-G843 WeakPolarHBondContact O-CA 3.32Å; G843-Y852 WeakPolarHBondContact O-CA 3.49Å; G843-D853 PolarHBondContact N-O 3.3Å; G843-D853 VanDerWaalsContact N-O 3.08Å; G843-D853 PolarHBondContact O-N 2.66Å
844V84.1Confident84.4Confident0 Ų016.5 Ų16.50%09%0.089CC..EExtended strand (participates in β ladder)trans-111.1124.3173.1-178.40000109.6P335 F336 V698 F702 Y713 P850 Q851 Y852P335-V844 HydrophobicContact CB-CG1 4.1Å; P335-V844 HydrophobicContact CG-CG1 4.44Å; F336-V844 HydrophobicContact CE2-CG1 3.94Å; F336-V844 HydrophobicContact CZ-CG1 4.42Å; V698-V844 HydrophobicContact CG1-CG2 3.5Å; V698-V844 VanDerWaalsContact CG1-CG2 3.5Å; F702-V844 HydrophobicContact CE2-CB 4.28Å; F702-V844 HydrophobicContact CE2-CG2 3.96Å; F702-V844 HydrophobicContact CZ-CB 4.37Å; Y713-V844 HydrophobicContact CD1-CG2 3.98Å; Y713-V844 HydrophobicContact CG-CG2 4.49Å; Y713-V844 PolarHBondContact O-N 2.65Å; Y713-V844 VanDerWaalsContact O-N 3.07Å; V844-P850 HydrophobicContact CG1-CB 3.86Å; V844-Q851 WeakPolarHBondContact CA-O 3.48Å; V844-Y852 HydrophobicContact CG2-CD2 4.17Å
845I79.4Confident84Confident1 Ų117.4 Ų17.41%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-120150.5-179.557.5161.1000112.2V141 L144 F148 I165 P850 Q851 W855V141-I845 HydrophobicContact CG1-CG2 4.37Å; L144-I845 HydrophobicContact CB-CG2 4.42Å; F148-I845 HydrophobicContact CD2-CD1 3.84Å; F148-I845 HydrophobicContact CE2-CD1 3.99Å; I165-I845 HydrophobicContact CB-CD1 4.29Å; I165-I845 HydrophobicContact CD1-CD1 3.61Å; I165-I845 HydrophobicContact CD1-CG1 4.47Å; I165-I845 HydrophobicContact CG2-CD1 4.03Å; I845-P850 WeakPolarHBondContact O-CA 3.49Å; I845-Q851 PolarHBondContact N-O 3.32Å; I845-Q851 PolarHBondContact O-N 2.93Å; I845-W855 HydrophobicContact CB-CH2 4.4Å; I845-W855 HydrophobicContact CD1-CH2 4.15Å; I845-W855 HydrophobicContact CD1-CZ2 3.58Å; I845-W855 HydrophobicContact CG1-CH2 3.93Å; I845-W855 HydrophobicContact CG1-CZ2 3.88Å; I845-W855 HydrophobicContact CG2-CH2 3.66Å; I845-W855 HydrophobicContact CG2-CZ2 4.06Å
846G70.6Confident83.3Confident0 Ų018.5 Ų18.50%010%0.104CC..  trans95.9123.2172.600000113.8P335 P850P335-G846 WeakPolarHBondContact CA-O 3.46Å; G846-P850 VanDerWaalsContact O-CA 3.3Å; G846-P850 WeakPolarHBondContact O-CA 3.42Å; G846-P850 WeakPolarHBondContact O-CB 3.19Å
847A63.8Low82.8Confident11 Ų1121.8 Ų21.89%0.09112%0.122CC..SBendtrans-71.3-42.6-176.900000113.8A333A333-A847 HydrophobicContact CB-CB 3.58Å; A333-A847 WeakPolarHBondContact O-CB 3.23Å
848Q61.5Low82.6Confident87 Ų8721 Ų2141%0.40712%0.119SC..SBendtrans-95.8-31.1-170.5-64.7-174.421.900113.3S75S75-Q848 WeakPolarHBondContact CB-O 3.18Å
849K72.6Confident82.5Confident51 Ų5121.2 Ų21.222%0.22212%0.118CC..SBendtrans-13368.9175.2-59.4-162.7170.4178.40111.6S75 M161 R162 Q851S75-K849 WeakPolarHBondContact O-CA 3.44Å; S75-K849 WeakPolarHBondContact O-CB 3.37Å; S75-K849 VanDerWaalsContact O-CG 3.23Å; S75-K849 WeakPolarHBondContact O-CG 3.37Å; M161-K849 PolarHBondContact SD-NZ 3.36Å; M161-K849 VanDerWaalsContact SD-NZ 3.45Å; R162-K849 VanDerWaalsContact NH2-C 3.29Å; R162-K849 PolarHBondContact NH2-O 3.2Å; R162-K849 PolarHBondContact O-NZ 3.5Å; K849-Q851 PolarHBondContact O-N 3.2Å
850P76.2Confident82.5Confident5 Ų520.7 Ų20.73%0.03211%0.111CC..  trans-56.8132.8-17019.7-28.7000112.4L76 P335 F336 V844 I845 G846L76-P850 HydrophobicContact CD2-CG 4.12Å; L76-P850 WeakPolarHBondContact CD2-O 3.46Å; P335-P850 HydrophobicContact CB-CB 4.14Å; F336-P850 HydrophobicContact CD1-CB 4.3Å; F336-P850 HydrophobicContact CD1-CG 3.6Å; F336-P850 HydrophobicContact CD2-CB 4.39Å; F336-P850 HydrophobicContact CE1-CB 3.63Å; F336-P850 HydrophobicContact CE1-CG 2.98Å; F336-P850 HydrophobicContact CE2-CB 3.75Å; F336-P850 HydrophobicContact CE2-CG 4.07Å; F336-P850 HydrophobicContact CG-CG 4.36Å; F336-P850 HydrophobicContact CZ-CB 3.33Å; F336-P850 HydrophobicContact CZ-CG 3.28Å; V844-P850 HydrophobicContact CG1-CB 3.86Å; I845-P850 WeakPolarHBondContact O-CA 3.49Å; G846-P850 VanDerWaalsContact O-CA 3.3Å; G846-P850 WeakPolarHBondContact O-CA 3.42Å; G846-P850 WeakPolarHBondContact O-CB 3.19Å
851Q79.8Confident82.5Confident21 Ų2121 Ų2110%0.09811%0.112CC..EExtended strand (participates in β ladder)trans-129.8126.7-177-175.1170.410.300109.8V844 I845 K849V844-Q851 WeakPolarHBondContact CA-O 3.48Å; I845-Q851 PolarHBondContact N-O 3.32Å; I845-Q851 PolarHBondContact O-N 2.93Å; K849-Q851 PolarHBondContact O-N 3.2Å
852Y86.4Confident82.8Confident13 Ų1319.9 Ų19.95%0.05111%0.107CC..EExtended strand (participates in β ladder)trans-77.6132.9167.6176.8-97.2000109.5P695 V698 Y713 I772 A842 G843 V844P695-Y852 HydrophobicContact CG-CD1 3.59Å; P695-Y852 HydrophobicContact CG-CD2 4.08Å; P695-Y852 HydrophobicContact CG-CE1 3.75Å; P695-Y852 HydrophobicContact CG-CE2 4.21Å; P695-Y852 HydrophobicContact CG-CG 3.75Å; V698-Y852 HydrophobicContact CG2-CD2 3.74Å; V698-Y852 HydrophobicContact CG2-CE2 3.77Å; Y713-Y852 HydrophobicContact CE1-CD2 4.47Å; Y713-Y852 HydrophobicContact CE1-CE2 4.08Å; I772-Y852 HydrophobicContact CD1-CE1 4.11Å; A842-Y852 HydrophobicContact CB-CE2 3.93Å; A842-Y852 WeakPolarHBondContact CB-OH 3.5Å; G843-Y852 WeakPolarHBondContact O-CA 3.49Å; V844-Y852 HydrophobicContact CG2-CD2 4.17Å
853D88.6Confident83Confident4 Ų421.4 Ų21.42%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-152.1168.4178.4-155.18.3000111.5K773 A842 G843 W855K773-D853 WeakPolarHBondContact CE-OD1 3.26Å; K773-D853 IonicContact NZ-OD1 2.84Å; K773-D853 PolarHBondContact NZ-OD1 3.37Å; K773-D853 IonicContact NZ-OD2 3.47Å; K773-D853 PolarHBondContact NZ-OD2 3.04Å; A842-D853 WeakPolarHBondContact CA-O 3.23Å; G843-D853 PolarHBondContact N-O 3.3Å; G843-D853 VanDerWaalsContact N-O 3.08Å; G843-D853 PolarHBondContact O-N 2.66Å; D853-W855 HydrophobicContact CB-CH2 3.66Å; D853-W855 HydrophobicContact CB-CZ2 3.52Å; D853-W855 HydrophobicContact CB-CZ3 4.31Å; D853-W855 WeakPolarHBondContact O-CZ3 3.48Å
854I89.9Confident83.2Confident4 Ų426.1 Ų26.12%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-121.6137.1173.962172.6000110.9V722 I772 M780 A782 L785 I841 A842 V859V722-I854 HydrophobicContact CG1-CD1 4.42Å; V722-I854 HydrophobicContact CG2-CD1 3.95Å; I772-I854 HydrophobicContact CD1-CD1 4.23Å; I772-I854 HydrophobicContact CD1-CG1 4.45Å; I772-I854 HydrophobicContact CD1-CG2 4.26Å; I772-I854 HydrophobicContact CG1-CD1 4.06Å; I772-I854 HydrophobicContact CG1-CG1 4.34Å; I772-I854 HydrophobicContact CG2-CG1 4.41Å; M780-I854 HydrophobicContact CE-CD1 3.78Å; M780-I854 HydrophobicContact CE-CG1 3.6Å; A782-I854 HydrophobicContact CB-CD1 3.91Å; L785-I854 HydrophobicContact CD1-CG2 4.29Å; L785-I854 HydrophobicContact CD2-CG2 4.44Å; I841-I854 CarbonylContact O-C 3.6Å; I841-I854 WeakPolarHBondContact O-CA 3.32Å; A842-I854 HydrophobicContact CB-CG2 3.92Å; I854-V859 HydrophobicContact CD1-CG2 4.01Å; I854-V859 HydrophobicContact CG1-CG2 3.99Å
855W87.4Confident83.7Confident18 Ų1826.1 Ų26.17%0.06814%0.135CC..EExtended strand (participates in β ladder)trans-125150.9178.3-57.7-86.3000110.8L140 V141 L144 I841 I845 D853L140-W855 HydrophobicContact CD2-CB 4.29Å; V141-W855 HydrophobicContact CG2-CZ3 4.42Å; L144-W855 HydrophobicContact CD1-CD2 4.43Å; L144-W855 HydrophobicContact CD1-CZ2 4.46Å; I841-W855 PolarHBondContact N-O 3.43Å; I841-W855 PolarHBondContact O-N 3.22Å; I845-W855 HydrophobicContact CB-CH2 4.4Å; I845-W855 HydrophobicContact CD1-CH2 4.15Å; I845-W855 HydrophobicContact CD1-CZ2 3.58Å; I845-W855 HydrophobicContact CG1-CH2 3.93Å; I845-W855 HydrophobicContact CG1-CZ2 3.88Å; I845-W855 HydrophobicContact CG2-CH2 3.66Å; I845-W855 HydrophobicContact CG2-CZ2 4.06Å; D853-W855 HydrophobicContact CB-CH2 3.66Å; D853-W855 HydrophobicContact CB-CZ2 3.52Å; D853-W855 HydrophobicContact CB-CZ3 4.31Å; D853-W855 WeakPolarHBondContact O-CZ3 3.48Å
856G84.4Confident84.4Confident23 Ų2327 Ų2724%0.23714%0.139CC..SBendtrans154.5163.7173.400000112S858 V859 N860G856-S858 PolarHBondContact O-N 3.32Å; G856-V859 PolarHBondContact O-N 2.92Å; G856-N860 PolarHBondContact O-N 3.48Å
857N84.1Confident85.3Confident79 Ų7930.3 Ų30.342%0.42216%0.16SC..Hα-helixtrans-59.1-34.9175.6175.861.6000111.7V859 N860 V861 K902N857-V859 VanDerWaalsContact C-N 3.32Å; N857-V859 PolarHBondContact O-N 3.01Å; N857-N860 PolarHBondContact O-N 3.39Å; N857-V861 WeakPolarHBondContact O-CG2 3.3Å; N857-V861 PolarHBondContact O-N 3.33Å; N857-K902 WeakPolarHBondContact ND2-CE 3.22Å; N857-K902 PolarHBondContact ND2-NZ 3.41Å; N857-K902 WeakPolarHBondContact OD1-CE 3.38Å
858S90.3Very high86.6Confident6 Ų632.1 Ų32.14%0.04217%0.17CC..Hα-helixtrans-61.2-38.1178.4-45.20000112.7N836 G838 P839 G856 A862N836-S858 PolarHBondContact ND2-O 2.97Å; G838-S858 VanDerWaalsContact C-OG 3.3Å; G838-S858 WeakPolarHBondContact CA-OG 3.46Å; P839-S858 PolarHBondContact O-OG 3.34Å; G856-S858 PolarHBondContact O-N 3.32Å; S858-A862 PolarHBondContact O-N 3.49Å
859V90.9Very high87.9Confident12 Ų1228.3 Ų28.37%0.07315%0.154CC..Hα-helixtrans-66.6-45.5175.9-177.90000110.4V722 F724 M780 V840 I854 G856 N857 V861 A862 S863V722-V859 HydrophobicContact CG1-CG1 4.5Å; V722-V859 HydrophobicContact CG2-CG2 4.19Å; F724-V859 HydrophobicContact CE2-CG1 4.01Å; F724-V859 HydrophobicContact CZ-CG1 4Å; M780-V859 HydrophobicContact CE-CG1 3.77Å; V840-V859 HydrophobicContact CG1-CG2 3.93Å; I854-V859 HydrophobicContact CD1-CG2 4.01Å; I854-V859 HydrophobicContact CG1-CG2 3.99Å; G856-V859 PolarHBondContact O-N 2.92Å; N857-V859 VanDerWaalsContact C-N 3.32Å; N857-V859 PolarHBondContact O-N 3.01Å; V859-V861 PolarHBondContact O-N 3.35Å; V859-A862 PolarHBondContact O-N 2.9Å; V859-S863 PolarHBondContact O-N 3.46Å
860N88.8Confident88.8Confident74 Ų7428.7 Ų28.740%0.39616%0.16SC..Hα-helixtrans-62-43.8178.3-69.5-18.1000111.4G856 N857 S863 R864G856-N860 PolarHBondContact O-N 3.48Å; N857-N860 PolarHBondContact O-N 3.39Å; N860-S863 PolarHBondContact O-N 3.27Å; N860-R864 VanDerWaalsContact O-CG 3.3Å; N860-R864 WeakPolarHBondContact O-CG 3.26Å; N860-R864 PolarHBondContact O-N 2.95Å
861V90.2Very high89.6Confident9 Ų931.9 Ų31.96%0.05518%0.176CC..Hα-helixtrans-62.9-45.1176.7174.70000110.9N836 N857 V859 S863 R864 M865 T877 K902N836-V861 HydrophobicContact CB-CG1 4.13Å; N857-V861 WeakPolarHBondContact O-CG2 3.3Å; N857-V861 PolarHBondContact O-N 3.33Å; V859-V861 PolarHBondContact O-N 3.35Å; V861-S863 VanDerWaalsContact C-N 3.35Å; V861-S863 PolarHBondContact O-N 2.96Å; V861-R864 PolarHBondContact O-N 2.89Å; V861-R864 VanDerWaalsContact O-N 3.1Å; V861-M865 HydrophobicContact CG1-CE 4.45Å; V861-M865 HydrophobicContact CG1-CG 4.41Å; V861-M865 WeakPolarHBondContact O-CG 3.37Å; V861-M865 PolarHBondContact O-N 3.07Å; V861-T877 HydrophobicContact CG1-CG2 3.61Å; V861-K902 HydrophobicContact CG2-CG 4.31Å
862A94.3Very high90.1Very high0 Ų033.2 Ų33.20%020%0.196CC..Hα-helixtrans-57.6-45.7176.300000112.2V722 F724 N836 S858 V859 R864 M865 E866V722-A862 HydrophobicContact CB-CB 4.08Å; V722-A862 HydrophobicContact CG1-CB 4.08Å; F724-A862 HydrophobicContact CD2-CB 3.86Å; F724-A862 HydrophobicContact CE2-CB 4.11Å; N836-A862 HydrophobicContact CB-CB 3.92Å; S858-A862 PolarHBondContact O-N 3.49Å; V859-A862 PolarHBondContact O-N 2.9Å; A862-R864 VanDerWaalsContact C-N 3.31Å; A862-R864 PolarHBondContact O-N 3.41Å; A862-M865 WeakPolarHBondContact O-CB 3.39Å; A862-M865 PolarHBondContact O-N 2.92Å; A862-M865 VanDerWaalsContact O-N 3.17Å; A862-E866 PolarHBondContact O-N 3.08Å; A862-E866 VanDerWaalsContact O-N 3.07Å
863S92.3Very high90.3Very high32 Ų3237.2 Ų37.222%0.22421%0.213CC..Hα-helixtrans-59.9-39.8175.2170.70000111.9V859 N860 V861 E866 T867V859-S863 PolarHBondContact O-N 3.46Å; N860-S863 PolarHBondContact O-N 3.27Å; V861-S863 VanDerWaalsContact C-N 3.35Å; V861-S863 PolarHBondContact O-N 2.96Å; S863-E866 PolarHBondContact O-N 3.48Å; S863-T867 PolarHBondContact O-N 3.29Å; S863-T867 PolarHBondContact O-OG1 3.14Å; S863-T867 VanDerWaalsContact O-OG1 3.04Å
864R90.9Very high90.7Very high98 Ų9837.3 Ų37.337%0.3721%0.214SC..Hα-helixtrans-70.4-32.4175.9-61.2-61.7171.8-158.9-8.4113.1N860 V861 A862 E866 T867 T868 V899N860-R864 VanDerWaalsContact O-CG 3.3Å; N860-R864 WeakPolarHBondContact O-CG 3.26Å; N860-R864 PolarHBondContact O-N 2.95Å; V861-R864 PolarHBondContact O-N 2.89Å; V861-R864 VanDerWaalsContact O-N 3.1Å; A862-R864 VanDerWaalsContact C-N 3.31Å; A862-R864 PolarHBondContact O-N 3.41Å; R864-E866 VanDerWaalsContact C-N 3.27Å; R864-E866 PolarHBondContact O-N 3.06Å; R864-T867 PolarHBondContact O-N 3.41Å; R864-T868 WeakPolarHBondContact O-CB 3.22Å; R864-T868 WeakPolarHBondContact O-CG2 3.48Å; R864-T868 PolarHBondContact O-N 3.46Å; R864-T868 PolarHBondContact O-OG1 2.93Å; R864-V899 HydrophobicContact CB-CG1 3.76Å; R864-V899 HydrophobicContact CG-CG1 3.87Å
865M94.6Very high91Very high0 Ų037.1 Ų37.10%021%0.213CC..Hα-helixtrans-63.7-36.2173-66.3-53.693.300111.2V861 A862 G869 Q875 T877 I897 V899 T907V861-M865 HydrophobicContact CG1-CE 4.45Å; V861-M865 HydrophobicContact CG1-CG 4.41Å; V861-M865 WeakPolarHBondContact O-CG 3.37Å; V861-M865 PolarHBondContact O-N 3.07Å; A862-M865 WeakPolarHBondContact O-CB 3.39Å; A862-M865 PolarHBondContact O-N 2.92Å; A862-M865 VanDerWaalsContact O-N 3.17Å; M865-G869 WeakPolarHBondContact O-CA 2.9Å; M865-G869 PolarHBondContact O-N 3.47Å; M865-G869 VanDerWaalsContact O-N 3.14Å; M865-Q875 HydrophobicContact CB-CG 4.25Å; M865-Q875 HydrophobicContact SD-CG 4.08Å; M865-Q875 PolarHBondContact SD-NE2 2.84Å; M865-T877 HydrophobicContact CG-CG2 4.21Å; M865-T877 HydrophobicContact SD-CG2 4.03Å; M865-I897 HydrophobicContact CE-CD1 3.87Å; M865-V899 HydrophobicContact CE-CG2 3.77Å; M865-T907 HydrophobicContact CE-CG2 4.14Å; M865-T907 HydrophobicContact SD-CG2 3.55Å; M865-T907 VanDerWaalsContact SD-CG2 3.55Å
866E94.6Very high91.4Very high21 Ų2136.3 Ų36.310%0.09821%0.21CC..Hα-helixtrans-67.3-54.4172.1174.6-77.1144.600109.8F724 S726 R832 A862 S863 R864 T868 G869F724-E866 HydrophobicContact CB-CB 3.66Å; F724-E866 HydrophobicContact CB-CG 3.94Å; S726-E866 WeakPolarHBondContact CB-OE1 3.24Å; S726-E866 PolarHBondContact OG-OE1 3.04Å; R832-E866 WeakPolarHBondContact CD-O 3.44Å; R832-E866 WeakPolarHBondContact CG-O 3.46Å; A862-E866 PolarHBondContact O-N 3.08Å; A862-E866 VanDerWaalsContact O-N 3.07Å; S863-E866 PolarHBondContact O-N 3.48Å; R864-E866 VanDerWaalsContact C-N 3.27Å; R864-E866 PolarHBondContact O-N 3.06Å; E866-T868 VanDerWaalsContact C-N 3.3Å; E866-T868 PolarHBondContact O-N 3.32Å; E866-G869 WeakPolarHBondContact O-CA 3.39Å; E866-G869 PolarHBondContact O-N 3.04Å
867T89.8Confident91.9Very high69 Ų6935.6 Ų35.642%0.42320%0.201SC..Hα-helixtrans-64.6-35.2-170.7-52.80000112.5R832 S863 R864 G869R832-T867 PolarHBondContact NH1-O 3.05Å; S863-T867 PolarHBondContact O-N 3.29Å; S863-T867 PolarHBondContact O-OG1 3.14Å; S863-T867 VanDerWaalsContact O-OG1 3.04Å; R864-T867 PolarHBondContact O-N 3.41Å; T867-G869 VanDerWaalsContact C-N 3.31Å
868T91.2Very high92.3Very high49 Ų4936.3 Ų36.330%0.30120%0.202SC..THydrogen-bonded Turntrans-86.4-1.7174.962.70000113.6R864 E866 Q875 R894 I897R864-T868 WeakPolarHBondContact O-CB 3.22Å; R864-T868 WeakPolarHBondContact O-CG2 3.48Å; R864-T868 PolarHBondContact O-N 3.46Å; R864-T868 PolarHBondContact O-OG1 2.93Å; E866-T868 VanDerWaalsContact C-N 3.3Å; E866-T868 PolarHBondContact O-N 3.32Å; T868-Q875 PolarHBondContact OG1-NE2 2.96Å; T868-R894 VanDerWaalsContact O-CZ 3.25Å; T868-R894 PolarHBondContact O-NH1 2.92Å; T868-R894 PolarHBondContact O-NH2 3.46Å; T868-I897 HydrophobicContact CG2-CD1 4.44Å; T868-I897 VanDerWaalsContact OG1-CD1 3.28Å; T868-I897 WeakPolarHBondContact OG1-CD1 2.84Å
869G89.1Confident92.4Very high7 Ų742.8 Ų42.87%0.07223%0.231CC..PPolyproline II helixtrans-61.3156.9179.800000114.4R832 M865 E866 T867 Q875R832-G869 WeakPolarHBondContact CD-O 3.48Å; R832-G869 PolarHBondContact NE-O 3.23Å; M865-G869 WeakPolarHBondContact O-CA 2.9Å; M865-G869 PolarHBondContact O-N 3.47Å; M865-G869 VanDerWaalsContact O-N 3.14Å; E866-G869 WeakPolarHBondContact O-CA 3.39Å; E866-G869 PolarHBondContact O-N 3.04Å; T867-G869 VanDerWaalsContact C-N 3.31Å; G869-Q875 VanDerWaalsContact CA-OE1 3.28Å
870V91.4Very high92.5Very high59 Ų5942.2 Ų42.236%0.35823%0.228SC..PPolyproline II helixtrans-95.8143.3170.4175.60000108.8K873 F909V870-K873 HydrophobicContact CB-CD 4.35Å; V870-K873 HydrophobicContact CG1-CD 4.29Å; V870-K873 HydrophobicContact CG1-CG 4.46Å; V870-K873 PolarHBondContact O-N 3.02Å; V870-F909 HydrophobicContact CB-CE1 4.28Å; V870-F909 HydrophobicContact CB-CZ 4.15Å; V870-F909 HydrophobicContact CG2-CE1 4.33Å; V870-F909 HydrophobicContact CG2-CZ 3.8Å
871L91.4Very high92.8Very high71 Ų7139 Ų3937%0.37221%0.211SC..THydrogen-bonded Turntrans-56.5138.1177.1-65.5174000111.6P728 K830 R832 K873P728-L871 HydrophobicContact CB-CD2 4.01Å; P728-L871 HydrophobicContact CG-CD2 3.61Å; K830-L871 HydrophobicContact CB-CB 4.27Å; R832-L871 HydrophobicContact CB-CD2 4.48Å; L871-K873 PolarHBondContact O-N 2.8Å
872G90.3Very high92.9Very high49 Ų4940.2 Ų40.251%0.50523%0.226SC..THydrogen-bonded Turntrans72.15.4179.700000114.8L831L831-G872 VanDerWaalsContact O-CA 3.31Å; L831-G872 WeakPolarHBondContact O-CA 3.37Å; L831-G872 PolarHBondContact O-N 3.43Å
873K92.4Very high92.7Very high98 Ų9841.5 Ų41.543%0.42623%0.232SC..  trans-119.1151.6-179-61-165.8179.9-174.80112I833 V870 L871 F909I833-K873 PolarHBondContact N-O 3.49Å; V870-K873 HydrophobicContact CB-CD 4.35Å; V870-K873 HydrophobicContact CG1-CD 4.29Å; V870-K873 HydrophobicContact CG1-CG 4.46Å; V870-K873 PolarHBondContact O-N 3.02Å; L871-K873 PolarHBondContact O-N 2.8Å; K873-F909 HydrophobicContact CB-CD1 3.84Å; K873-F909 HydrophobicContact CB-CE1 4.02Å; K873-F909 HydrophobicContact CD-CD1 3.97Å; K873-F909 HydrophobicContact CD-CD2 4.2Å; K873-F909 HydrophobicContact CD-CE1 4.03Å; K873-F909 HydrophobicContact CD-CE2 4.24Å; K873-F909 HydrophobicContact CD-CG 4.05Å; K873-F909 HydrophobicContact CD-CZ 4.14Å
874I95.8Very high92.7Very high6 Ų640 Ų403%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-99.4119.5171.7-53.1-175.4000108.3A811 F812 I833 I835 V876 F909 V910A811-I874 HydrophobicContact CB-CD1 3.67Å; F812-I874 HydrophobicContact CD1-CD1 3.57Å; F812-I874 HydrophobicContact CE1-CD1 3.41Å; F812-I874 VanDerWaalsContact CE1-CD1 3.41Å; F812-I874 HydrophobicContact CZ-CD1 4.48Å; I833-I874 HydrophobicContact CB-CG1 4.17Å; I833-I874 HydrophobicContact CB-CG2 4.4Å; I833-I874 HydrophobicContact CD1-CG1 4.27Å; I833-I874 HydrophobicContact CG2-CG2 4.2Å; I833-I874 WeakPolarHBondContact O-CA 3.46Å; I835-I874 HydrophobicContact CD1-CG2 3.73Å; I835-I874 HydrophobicContact CG1-CG2 4.26Å; I874-V876 HydrophobicContact CG2-CG1 4.46Å; I874-F909 VanDerWaalsContact O-CA 3.3Å; I874-F909 WeakPolarHBondContact O-CA 3.14Å; I874-V910 HydrophobicContact CB-CB 4.23Å; I874-V910 HydrophobicContact CG2-CB 4.39Å; I874-V910 HydrophobicContact CG2-CG2 4.29Å; I874-V910 PolarHBondContact O-N 2.88Å
875Q96.1Very high92.6Very high0 Ų038.1 Ų38.10%022%0.224CC..EExtended strand (participates in β ladder)trans-103.7135178.5-179.5171.8-35.800111.5I833 G834 I835 M865 T868 G869 Y908 F909I833-Q875 PolarHBondContact O-N 2.9Å; G834-Q875 WeakPolarHBondContact CA-O 3.28Å; I835-Q875 PolarHBondContact N-O 3.3Å; M865-Q875 HydrophobicContact CB-CG 4.25Å; M865-Q875 HydrophobicContact SD-CG 4.08Å; M865-Q875 PolarHBondContact SD-NE2 2.84Å; T868-Q875 PolarHBondContact OG1-NE2 2.96Å; G869-Q875 VanDerWaalsContact CA-OE1 3.28Å; Q875-Y908 WeakPolarHBondContact CA-O 3.3Å; Q875-F909 HydrophobicContact CB-CD1 4.35Å; Q875-F909 HydrophobicContact CB-CE1 4.34Å
876V96.1Very high92.4Very high0 Ų045.1 Ų45.10%026%0.261CS..EExtended strand (participates in β ladder)trans-132.6159.8179-60.70000111.9I835 I874 T880 L884 T907 Y908 V910I835-V876 HydrophobicContact CB-CG1 4Å; I835-V876 WeakPolarHBondContact O-CA 3.43Å; I874-V876 HydrophobicContact CG2-CG1 4.46Å; V876-T880 HydrophobicContact CB-CG2 4.14Å; V876-T880 HydrophobicContact CG1-CG2 4.18Å; V876-L884 HydrophobicContact CG1-CD1 4.13Å; V876-T907 WeakPolarHBondContact O-CA 3.27Å; V876-Y908 PolarHBondContact N-O 3.11Å; V876-Y908 PolarHBondContact O-N 2.93Å; V876-V910 HydrophobicContact CB-CG2 4.41Å; V876-V910 HydrophobicContact CG1-CG2 3.63Å; V876-V910 HydrophobicContact CG2-CG2 3.84Å
877T94.3Very high92Very high9 Ų946.8 Ų46.86%0.05527%0.271CS..EExtended strand (participates in β ladder)trans-74.8161.1169.853.40000111.8N836 V861 M865 E879 T880 S881N836-T877 HydrophobicContact CB-CG2 4.36Å; N836-T877 WeakPolarHBondContact OD1-CB 3.5Å; N836-T877 WeakPolarHBondContact OD1-CG2 3.46Å; N836-T877 PolarHBondContact OD1-OG1 3.4Å; V861-T877 HydrophobicContact CG1-CG2 3.61Å; M865-T877 HydrophobicContact CG-CG2 4.21Å; M865-T877 HydrophobicContact SD-CG2 4.03Å; T877-E879 VanDerWaalsContact C-N 3.34Å; T877-E879 PolarHBondContact O-N 3.46Å; T877-T880 PolarHBondContact O-N 3.48Å; T877-T880 PolarHBondContact OG1-OG1 3.32Å; T877-S881 PolarHBondContact O-N 3.42Å
878E93.7Very high91.9Very high93 Ų9346.4 Ų46.444%0.43528%0.28SS..Hα-helixtrans-55-45.7176.7-175.9165.2-14500112.7T880 S881 G882 K906 Y908E878-T880 PolarHBondContact O-N 3.31Å; E878-S881 WeakPolarHBondContact O-CB 3.5Å; E878-S881 PolarHBondContact O-N 3.03Å; E878-G882 PolarHBondContact O-N 2.97Å; E878-K906 HydrophobicContact CB-CB 4.5Å; E878-K906 PolarHBondContact N-O 2.92Å; E878-K906 VanDerWaalsContact OE1-CD 3.25Å; E878-K906 WeakPolarHBondContact OE1-CD 3.42Å; E878-K906 IonicContact OE1-NZ 3.58Å; E878-Y908 HydrophobicContact CB-CD2 4.25Å; E878-Y908 HydrophobicContact CB-CE2 3.73Å; E878-Y908 HydrophobicContact CG-CE2 3.77Å
879E92Very high91.9Very high142 Ų14246.2 Ų46.266%0.66427%0.274SS*.Hα-helixtrans-59.7-46.2177.6-63.8174.6-178.600111.7T877 S881 G882 I883T877-E879 VanDerWaalsContact C-N 3.34Å; T877-E879 PolarHBondContact O-N 3.46Å; E879-S881 VanDerWaalsContact C-N 3.33Å; E879-S881 PolarHBondContact O-N 3.35Å; E879-G882 PolarHBondContact O-N 3.43Å; E879-I883 PolarHBondContact O-N 3.48Å
880T93.8Very high92Very high0 Ų052.4 Ų52.40%030%0.303CS..Hα-helixtrans-65.5-38.8178.2-52.10000111.1I804 I835 H837 V876 T877 E878 G882 I883 L884I804-T880 HydrophobicContact CG2-CG2 4.25Å; I835-T880 HydrophobicContact CG2-CG2 4.48Å; H837-T880 PolarHBondContact N-OG1 3.39Å; H837-T880 PolarHBondContact ND1-OG1 3.47Å; V876-T880 HydrophobicContact CB-CG2 4.14Å; V876-T880 HydrophobicContact CG1-CG2 4.18Å; T877-T880 PolarHBondContact O-N 3.48Å; T877-T880 PolarHBondContact OG1-OG1 3.32Å; E878-T880 PolarHBondContact O-N 3.31Å; T880-G882 VanDerWaalsContact C-N 3.33Å; T880-G882 PolarHBondContact O-N 3.28Å; T880-I883 PolarHBondContact O-N 3.26Å; T880-L884 HydrophobicContact CG2-CD1 4.07Å; T880-L884 HydrophobicContact CG2-CG 4.39Å; T880-L884 WeakPolarHBondContact O-CB 3.33Å; T880-L884 VanDerWaalsContact O-CG 3.3Å; T880-L884 WeakPolarHBondContact O-CG 3.41Å; T880-L884 PolarHBondContact O-N 3.01Å
881S94.1Very high92Very high6 Ų651 Ų514%0.04230%0.296CS..Hα-helixtrans-60.5-41.1175.8-174.70000112.1T877 E878 E879 I883 L884 S885 C891T877-S881 PolarHBondContact O-N 3.42Å; E878-S881 WeakPolarHBondContact O-CB 3.5Å; E878-S881 PolarHBondContact O-N 3.03Å; E879-S881 VanDerWaalsContact C-N 3.33Å; E879-S881 PolarHBondContact O-N 3.35Å; S881-I883 VanDerWaalsContact C-N 3.34Å; S881-I883 PolarHBondContact O-N 3.3Å; S881-L884 PolarHBondContact O-N 3.47Å; S881-S885 PolarHBondContact O-N 3.5Å; S881-S885 PolarHBondContact O-OG 3.49Å; S881-S885 VanDerWaalsContact O-OG 3.09Å; S881-C891 WeakPolarHBondContact OG-CB 3.33Å
882G92.3Very high92.1Very high36 Ų3649.6 Ų49.637%0.37129%0.292SS..Hα-helixtrans-59.9-44178.700000112.3E878 E879 T880 S885 N886E878-G882 PolarHBondContact O-N 2.97Å; E879-G882 PolarHBondContact O-N 3.43Å; T880-G882 VanDerWaalsContact C-N 3.33Å; T880-G882 PolarHBondContact O-N 3.28Å; G882-S885 PolarHBondContact O-N 3.21Å; G882-N886 PolarHBondContact O-N 3.44Å
883I91.4Very high92.3Very high26 Ų2650.7 Ų50.713%0.13329%0.29CS..Hα-helixtrans-66-44.2176.2-60.1177.6000111.1Y801 I804 H837 E879 T880 S881 S885 N886 L887Y801-I883 HydrophobicContact CD1-CD1 3.71Å; Y801-I883 HydrophobicContact CD1-CG2 4.42Å; Y801-I883 HydrophobicContact CE1-CD1 3.83Å; Y801-I883 HydrophobicContact CG-CD1 4.21Å; Y801-I883 HydrophobicContact CG-CG2 4.04Å; I804-I883 HydrophobicContact CD1-CD1 3.9Å; I804-I883 HydrophobicContact CD1-CG2 4.19Å; H837-I883 VanDerWaalsContact CE1-CD1 3.41Å; H837-I883 WeakPolarHBondContact CE1-CD1 3.34Å; H837-I883 WeakPolarHBondContact NE2-CD1 3.37Å; E879-I883 PolarHBondContact O-N 3.48Å; T880-I883 PolarHBondContact O-N 3.26Å; S881-I883 VanDerWaalsContact C-N 3.34Å; S881-I883 PolarHBondContact O-N 3.3Å; I883-S885 VanDerWaalsContact C-N 3.29Å; I883-S885 PolarHBondContact O-N 2.91Å; I883-N886 WeakPolarHBondContact O-CB 3.38Å; I883-N886 PolarHBondContact O-N 3.47Å; I883-N886 VanDerWaalsContact O-N 3.13Å; I883-L887 HydrophobicContact CG2-CD1 4.22Å; I883-L887 WeakPolarHBondContact O-CG 3.2Å; I883-L887 PolarHBondContact O-N 3.44Å
884L91.7Very high92.2Very high0 Ų050 Ų500%029%0.285CS..Hα-helixtrans-63-36.5179.1-72.8177000112.3I804 V808 V876 T880 S881 N886 L887 G888 Y889 V910I804-L884 HydrophobicContact CG2-CD2 4Å; I804-L884 HydrophobicContact CG2-CG 4.45Å; V808-L884 HydrophobicContact CB-CD2 4.46Å; V808-L884 HydrophobicContact CG2-CD1 3.93Å; V808-L884 HydrophobicContact CG2-CD2 3.63Å; V808-L884 HydrophobicContact CG2-CG 4.45Å; V876-L884 HydrophobicContact CG1-CD1 4.13Å; T880-L884 HydrophobicContact CG2-CD1 4.07Å; T880-L884 HydrophobicContact CG2-CG 4.39Å; T880-L884 WeakPolarHBondContact O-CB 3.33Å; T880-L884 VanDerWaalsContact O-CG 3.3Å; T880-L884 WeakPolarHBondContact O-CG 3.41Å; T880-L884 PolarHBondContact O-N 3.01Å; S881-L884 PolarHBondContact O-N 3.47Å; L884-N886 VanDerWaalsContact C-N 3.33Å; L884-N886 PolarHBondContact O-N 3.42Å; L884-L887 HydrophobicContact CD2-CD1 4.46Å; L884-L887 CarbonylContact O-C 3.54Å; L884-L887 PolarHBondContact O-N 3Å; L884-L887 VanDerWaalsContact O-N 3.17Å; L884-G888 PolarHBondContact O-N 3.35Å; L884-Y889 HydrophobicContact CB-CD2 4.35Å; L884-Y889 HydrophobicContact CD2-CD2 3.78Å; L884-Y889 HydrophobicContact CD2-CE2 4.22Å; L884-Y889 HydrophobicContact CD2-CG 4.45Å; L884-Y889 WeakPolarHBondContact O-CB 3.15Å; L884-Y889 PolarHBondContact O-N 3.09Å; L884-V910 HydrophobicContact CD1-CG2 3.77Å
885S89.6Confident92Very high60 Ų6050.9 Ų50.942%0.4230%0.296SS..Hα-helixtrans-63.2-38.5173.2-64.70000112.3S881 G882 I883 L887 G888S881-S885 PolarHBondContact O-N 3.5Å; S881-S885 PolarHBondContact O-OG 3.49Å; S881-S885 VanDerWaalsContact O-OG 3.09Å; G882-S885 PolarHBondContact O-N 3.21Å; I883-S885 VanDerWaalsContact C-N 3.29Å; I883-S885 PolarHBondContact O-N 2.91Å; S885-L887 VanDerWaalsContact C-N 3.28Å; S885-L887 PolarHBondContact O-N 3Å; S885-G888 PolarHBondContact O-N 3.41Å; S885-G888 VanDerWaalsContact O-N 3.1Å
886N88.3Confident91.7Very high147 Ų14756.1 Ų56.179%0.78632%0.322SS*.Hα-helixtrans-66.4-31.2173.8-65.4-14.7000112.4G882 I883 L884 G888G882-N886 PolarHBondContact O-N 3.44Å; I883-N886 WeakPolarHBondContact O-CB 3.38Å; I883-N886 PolarHBondContact O-N 3.47Å; I883-N886 VanDerWaalsContact O-N 3.13Å; L884-N886 VanDerWaalsContact C-N 3.33Å; L884-N886 PolarHBondContact O-N 3.42Å; N886-G888 PolarHBondContact O-N 3.22Å
887L87.8Confident91.5Very high56 Ų5657.3 Ų57.329%0.29333%0.329SS..THydrogen-bonded Turntrans-79.91.4174-65.2174.6000113.4M802 I883 L884 S885 Y889M802-L887 HydrophobicContact SD-CD2 3.83Å; I883-L887 HydrophobicContact CG2-CD1 4.22Å; I883-L887 WeakPolarHBondContact O-CG 3.2Å; I883-L887 PolarHBondContact O-N 3.44Å; L884-L887 HydrophobicContact CD2-CD1 4.46Å; L884-L887 CarbonylContact O-C 3.54Å; L884-L887 PolarHBondContact O-N 3Å; L884-L887 VanDerWaalsContact O-N 3.17Å; S885-L887 VanDerWaalsContact C-N 3.28Å; S885-L887 PolarHBondContact O-N 3Å; L887-Y889 HydrophobicContact CB-CD2 3.9Å; L887-Y889 HydrophobicContact CB-CE2 4.01Å
888G87.6Confident91.1Very high60 Ų6062.8 Ų62.862%0.61936%0.358SS*.THydrogen-bonded Turntrans91.65.9176.600000115.7L884 S885 N886L884-G888 PolarHBondContact O-N 3.35Å; S885-G888 PolarHBondContact O-N 3.41Å; S885-G888 VanDerWaalsContact O-N 3.1Å; N886-G888 PolarHBondContact O-N 3.22Å
889Y90.4Very high90.4Very high46 Ų4658.5 Ų58.518%0.1834%0.338CS..  trans-83.4133177.9-64.7-80.9000112.2V808 E809 F812 L884 L887V808-Y889 HydrophobicContact CG1-CD1 4.24Å; V808-Y889 HydrophobicContact CG1-CE1 4.05Å; E809-Y889 VanDerWaalsContact CG-OH 3.32Å; E809-Y889 WeakPolarHBondContact CG-OH 3.4Å; E809-Y889 WeakPolarHBondContact OE1-CE1 3.41Å; E809-Y889 PolarHBondContact OE1-OH 3.05Å; F812-Y889 HydrophobicContact CE2-CD1 4.32Å; F812-Y889 AromaticContact CE2-CE1 3.98Å; F812-Y889 HydrophobicContact CE2-CE1 3.98Å; L884-Y889 HydrophobicContact CB-CD2 4.35Å; L884-Y889 HydrophobicContact CD2-CD2 3.78Å; L884-Y889 HydrophobicContact CD2-CE2 4.22Å; L884-Y889 HydrophobicContact CD2-CG 4.45Å; L884-Y889 WeakPolarHBondContact O-CB 3.15Å; L884-Y889 PolarHBondContact O-N 3.09Å; L887-Y889 HydrophobicContact CB-CD2 3.9Å; L887-Y889 HydrophobicContact CB-CE2 4.01Å
890M91.4Very high89.5Confident136 Ų13659.7 Ų59.767%0.6734%0.341SS*.  trans-77.7123.9174.2-65.5-17271.900111.2H911M890-H911 HydrophobicContact CB-CB 4.34Å; M890-H911 PolarHBondContact O-N 3.37Å
891C92.4Very high88.2Confident31 Ų3163.5 Ų63.521%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-121134.1177.3-60.20000110.7S881 Y908 F909S881-C891 WeakPolarHBondContact OG-CB 3.33Å; C891-Y908 HydrophobicContact CB-CD1 4.39Å; C891-F909 CarbonylContact C-O 3.58Å; C891-F909 VanDerWaalsContact CA-O 3.23Å; C891-F909 WeakPolarHBondContact CA-O 3.37Å
892S93.2Very high87.2Confident41 Ų4168.3 Ų68.329%0.28740%0.401SS..EExtended strand (participates in β ladder)trans-105.1136.9172.850.20000111.1R894 Y908 F909 H911S892-R894 PolarHBondContact O-N 3.28Å; S892-Y908 CarbonylContact O-C 3.39Å; S892-Y908 WeakPolarHBondContact O-CA 3.32Å; S892-F909 PolarHBondContact N-O 3.49Å; S892-F909 PolarHBondContact O-N 3.25Å; S892-H911 WeakPolarHBondContact CB-NE2 3.34Å; S892-H911 PolarHBondContact OG-CE1 3.36Å; S892-H911 PolarHBondContact OG-NE2 2.99Å
893C93.6Very high86.7Confident71 Ų7168 Ų6848%0.4840%0.397SS..EExtended strand (participates in β ladder)trans-66.4122.6176.1-173.70000109.8Y908C893-Y908 HydrophobicContact CB-CD1 4.07Å; C893-Y908 HydrophobicContact CB-CE1 3.74Å
894R91.6Very high86.5Confident84 Ų8474.1 Ų74.132%0.31743%0.425SS..EExtended strand (participates in β ladder)trans-79.1-37.3172.5176-178178.6147.6-2.2111T868 S892 T907 F909T868-R894 VanDerWaalsContact O-CZ 3.25Å; T868-R894 PolarHBondContact O-NH1 2.92Å; T868-R894 PolarHBondContact O-NH2 3.46Å; S892-R894 PolarHBondContact O-N 3.28Å; R894-T907 WeakPolarHBondContact CB-O 3.48Å; R894-T907 PolarHBondContact N-O 2.93Å; R894-F909 HydrophobicContact CB-CD2 3.91Å; R894-F909 HydrophobicContact CB-CE2 3.65Å; R894-F909 HydrophobicContact CB-CZ 4.12Å; R894-F909 HydrophobicContact CG-CD2 4.3Å; R894-F909 HydrophobicContact CG-CE2 3.52Å; R894-F909 HydrophobicContact CG-CZ 3.68Å
895G91.1Very high86.4Confident24 Ų2476.4 Ų76.425%0.24744%0.437CS..EExtended strand (participates in β ladder)trans120-170.6-172.900000112.6T907G895-T907 PolarHBondContact N-O 3.01Å; G895-T907 PolarHBondContact O-N 3.33Å; G895-T907 PolarHBondContact O-OG1 3.46Å
896I89.9Confident86.5Confident110 Ų11077.4 Ų77.456%0.56443%0.434SS*.EExtended strand (participates in β ladder)trans-88.4128.2-179.5-59.9174.2000108.8E904 L905I896-E904 HydrophobicContact CG2-CB 3.57Å; I896-E904 HydrophobicContact CG2-CG 3.95Å; I896-L905 WeakPolarHBondContact CA-O 3.49Å
897I90.8Very high86.8Confident26 Ų2670.4 Ų70.413%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-121.3144.5173.660.8160.6000109.9M865 T868 V899 L905 T907M865-I897 HydrophobicContact CE-CD1 3.87Å; T868-I897 HydrophobicContact CG2-CD1 4.44Å; T868-I897 VanDerWaalsContact OG1-CD1 3.28Å; T868-I897 WeakPolarHBondContact OG1-CD1 2.84Å; I897-V899 HydrophobicContact CD1-CG2 3.89Å; I897-V899 HydrophobicContact CG1-CG2 3.98Å; I897-V899 PolarHBondContact O-N 3.33Å; I897-L905 PolarHBondContact N-O 3.09Å; I897-L905 PolarHBondContact O-N 3.47Å; I897-T907 HydrophobicContact CD1-CG2 3.67Å; I897-T907 HydrophobicContact CG1-CG2 3.6Å
898N86.3Confident87.2Confident123 Ų12369.6 Ų69.666%0.65839%0.39SS*.EExtended strand (participates in β ladder)trans-82.8119.3174.5-170.117000109.9G903N898-G903 VanDerWaalsContact OD1-C 3.31Å; N898-G903 WeakPolarHBondContact OD1-CA 3.26Å; N898-G903 PolarHBondContact OD1-O 3.25Å
899V80.1Confident87.6Confident4 Ų467.7 Ų67.72%0.02437%0.365CS..EExtended strand (participates in β ladder)trans-109.8121.5-178.8179.10000109.1R864 M865 I897 G901 K902 G903 L905R864-V899 HydrophobicContact CB-CG1 3.76Å; R864-V899 HydrophobicContact CG-CG1 3.87Å; M865-V899 HydrophobicContact CE-CG2 3.77Å; I897-V899 HydrophobicContact CD1-CG2 3.89Å; I897-V899 HydrophobicContact CG1-CG2 3.98Å; I897-V899 PolarHBondContact O-N 3.33Å; V899-G901 PolarHBondContact O-N 3.19Å; V899-G901 VanDerWaalsContact O-N 3.15Å; V899-K902 HydrophobicContact CB-CB 4.29Å; V899-K902 HydrophobicContact CG1-CB 4.34Å; V899-K902 PolarHBondContact O-N 3.06Å; V899-G903 PolarHBondContact N-O 2.89Å; V899-G903 PolarHBondContact O-N 2.88Å; V899-L905 HydrophobicContact CB-CD1 3.94Å; V899-L905 HydrophobicContact CG1-CD1 4.26Å; V899-L905 HydrophobicContact CG2-CB 4.06Å; V899-L905 HydrophobicContact CG2-CD1 3.85Å; V899-L905 HydrophobicContact CG2-CG 4.42Å
900K71.6Confident87.7Confident166 Ų16666 Ų6672%0.72236%0.359SS*.THydrogen-bonded Turntrans-52.7121.4178.4-173.9179.1179.4-1780110.7
901G67.4Low87.5Confident81 Ų8163.3 Ų63.384%0.83534%0.344SS*.THydrogen-bonded Turntrans88.6-9.2179.600000115.5V899V899-G901 PolarHBondContact O-N 3.19Å; V899-G901 VanDerWaalsContact O-N 3.15Å
902K72.6Confident86.5Confident107 Ų10764.2 Ų64.247%0.46535%0.349SS..THydrogen-bonded Turntrans-118.8-24.6175.3-76-70.1-176.9175.60114N857 V861 V899 L905N857-K902 WeakPolarHBondContact ND2-CE 3.22Å; N857-K902 PolarHBondContact ND2-NZ 3.41Å; N857-K902 WeakPolarHBondContact OD1-CE 3.38Å; V861-K902 HydrophobicContact CG2-CG 4.31Å; V899-K902 HydrophobicContact CB-CB 4.29Å; V899-K902 HydrophobicContact CG1-CB 4.34Å; V899-K902 PolarHBondContact O-N 3.06Å; K902-L905 HydrophobicContact CB-CD1 3.76Å; K902-L905 HydrophobicContact CB-CG 4.27Å; K902-L905 HydrophobicContact CG-CD1 4.14Å
903G82.2Confident84.8Confident29 Ų2970.9 Ų70.930%0.29938%0.376SS..EExtended strand (participates in β ladder)trans83.9-145.2-172.200000110.7N898 V899 L905N898-G903 VanDerWaalsContact OD1-C 3.31Å; N898-G903 WeakPolarHBondContact OD1-CA 3.26Å; N898-G903 PolarHBondContact OD1-O 3.25Å; V899-G903 PolarHBondContact N-O 2.89Å; V899-G903 PolarHBondContact O-N 2.88Å; G903-L905 PolarHBondContact O-N 3.41Å
904E87.6Confident82.4Confident155 Ų15574.7 Ų74.772%0.72439%0.389SS*.EExtended strand (participates in β ladder)trans-74.8122-177.7-72-174.1172.200112I896I896-E904 HydrophobicContact CG2-CB 3.57Å; I896-E904 HydrophobicContact CG2-CG 3.95Å
905L88.6Confident79.7Confident48 Ų4874.5 Ų74.525%0.25140%0.397SS..EExtended strand (participates in β ladder)trans-125133.1177.1-82.4172.9000110.6I896 I897 V899 K902 G903I896-L905 WeakPolarHBondContact CA-O 3.49Å; I897-L905 PolarHBondContact N-O 3.09Å; I897-L905 PolarHBondContact O-N 3.47Å; V899-L905 HydrophobicContact CB-CD1 3.94Å; V899-L905 HydrophobicContact CG1-CD1 4.26Å; V899-L905 HydrophobicContact CG2-CB 4.06Å; V899-L905 HydrophobicContact CG2-CD1 3.85Å; V899-L905 HydrophobicContact CG2-CG 4.42Å; K902-L905 HydrophobicContact CB-CD1 3.76Å; K902-L905 HydrophobicContact CB-CG 4.27Å; K902-L905 HydrophobicContact CG-CD1 4.14Å; G903-L905 PolarHBondContact O-N 3.41Å
906K92.4Very high76.9Confident81 Ų8183.3 Ų83.335%0.35242%0.423SS..EExtended strand (participates in β ladder)trans-78.5133.8171.7-161.5-174.3-134.3173.80110.1E878 Y908E878-K906 HydrophobicContact CB-CB 4.5Å; E878-K906 PolarHBondContact N-O 2.92Å; E878-K906 VanDerWaalsContact OE1-CD 3.25Å; E878-K906 WeakPolarHBondContact OE1-CD 3.42Å; E878-K906 IonicContact OE1-NZ 3.58Å; K906-Y908 HydrophobicContact CD-CE2 4.03Å; K906-Y908 HydrophobicContact CG-CE2 4.05Å
907T94.3Very high74Confident0 Ų082.9 Ų82.90%043%0.429CS..EExtended strand (participates in β ladder)trans-131.4157.9-173.955.40000112.1M865 V876 R894 G895 I897M865-T907 HydrophobicContact CE-CG2 4.14Å; M865-T907 HydrophobicContact SD-CG2 3.55Å; M865-T907 VanDerWaalsContact SD-CG2 3.55Å; V876-T907 WeakPolarHBondContact O-CA 3.27Å; R894-T907 WeakPolarHBondContact CB-O 3.48Å; R894-T907 PolarHBondContact N-O 2.93Å; G895-T907 PolarHBondContact N-O 3.01Å; G895-T907 PolarHBondContact O-N 3.33Å; G895-T907 PolarHBondContact O-OG1 3.46Å; I897-T907 HydrophobicContact CD1-CG2 3.67Å; I897-T907 HydrophobicContact CG1-CG2 3.6Å
908Y95.8Very high71.3Confident39 Ų3989 Ų8915%0.15346%0.462CS..EExtended strand (participates in β ladder)trans-133.9153.2-174.3-68.4-105.3000110.6Q875 V876 E878 C891 S892 C893 K906Q875-Y908 WeakPolarHBondContact CA-O 3.3Å; V876-Y908 PolarHBondContact N-O 3.11Å; V876-Y908 PolarHBondContact O-N 2.93Å; E878-Y908 HydrophobicContact CB-CD2 4.25Å; E878-Y908 HydrophobicContact CB-CE2 3.73Å; E878-Y908 HydrophobicContact CG-CE2 3.77Å; C891-Y908 HydrophobicContact CB-CD1 4.39Å; S892-Y908 CarbonylContact O-C 3.39Å; S892-Y908 WeakPolarHBondContact O-CA 3.32Å; C893-Y908 HydrophobicContact CB-CD1 4.07Å; C893-Y908 HydrophobicContact CB-CE1 3.74Å; K906-Y908 HydrophobicContact CD-CE2 4.03Å; K906-Y908 HydrophobicContact CG-CE2 4.05Å
909F95.7Very high68.6Low20 Ų2088 Ų889%0.08846%0.464CS..EExtended strand (participates in β ladder)trans-103.4134.8168.2-65.7-58.7000110.3V870 K873 I874 Q875 C891 S892 R894V870-F909 HydrophobicContact CB-CE1 4.28Å; V870-F909 HydrophobicContact CB-CZ 4.15Å; V870-F909 HydrophobicContact CG2-CE1 4.33Å; V870-F909 HydrophobicContact CG2-CZ 3.8Å; K873-F909 HydrophobicContact CB-CD1 3.84Å; K873-F909 HydrophobicContact CB-CE1 4.02Å; K873-F909 HydrophobicContact CD-CD1 3.97Å; K873-F909 HydrophobicContact CD-CD2 4.2Å; K873-F909 HydrophobicContact CD-CE1 4.03Å; K873-F909 HydrophobicContact CD-CE2 4.24Å; K873-F909 HydrophobicContact CD-CG 4.05Å; K873-F909 HydrophobicContact CD-CZ 4.14Å; I874-F909 VanDerWaalsContact O-CA 3.3Å; I874-F909 WeakPolarHBondContact O-CA 3.14Å; Q875-F909 HydrophobicContact CB-CD1 4.35Å; Q875-F909 HydrophobicContact CB-CE1 4.34Å; C891-F909 CarbonylContact C-O 3.58Å; C891-F909 VanDerWaalsContact CA-O 3.23Å; C891-F909 WeakPolarHBondContact CA-O 3.37Å; S892-F909 PolarHBondContact N-O 3.49Å; S892-F909 PolarHBondContact O-N 3.25Å; R894-F909 HydrophobicContact CB-CD2 3.91Å; R894-F909 HydrophobicContact CB-CE2 3.65Å; R894-F909 HydrophobicContact CB-CZ 4.12Å; R894-F909 HydrophobicContact CG-CD2 4.3Å; R894-F909 HydrophobicContact CG-CE2 3.52Å; R894-F909 HydrophobicContact CG-CZ 3.68Å
910V93.9Very high66.3Low9 Ų996.9 Ų96.96%0.05551%0.505CS..EExtended strand (participates in β ladder)trans-88.4130.9173-172.30000108.9V808 F812 I874 V876 L884V808-V910 HydrophobicContact CG1-CG1 4.09Å; F812-V910 HydrophobicContact CZ-CG1 4.14Å; I874-V910 HydrophobicContact CB-CB 4.23Å; I874-V910 HydrophobicContact CG2-CB 4.39Å; I874-V910 HydrophobicContact CG2-CG2 4.29Å; I874-V910 PolarHBondContact O-N 2.88Å; V876-V910 HydrophobicContact CB-CG2 4.41Å; V876-V910 HydrophobicContact CG1-CG2 3.63Å; V876-V910 HydrophobicContact CG2-CG2 3.84Å; L884-V910 HydrophobicContact CD1-CG2 3.77Å
911H86.9Confident64.5Low80 Ų8091.7 Ų91.737%0.3750%0.498SS..PPolyproline II helixtrans-87.4130.8178.3-70.3-74.9000111.7M890 S892M890-H911 HydrophobicContact CB-CB 4.34Å; M890-H911 PolarHBondContact O-N 3.37Å; S892-H911 WeakPolarHBondContact CB-NE2 3.34Å; S892-H911 PolarHBondContact OG-CE1 3.36Å; S892-H911 PolarHBondContact OG-NE2 2.99Å
912T70.2Confident62.9Low51 Ų5194.6 Ų94.631%0.31350%0.5SS..PPolyproline II helixtrans-73.3129.2161.146.20000109F812 M914 T915F812-T912 HydrophobicContact CD1-CG2 3.34Å; F812-T912 HydrophobicContact CE1-CG2 3.25Å; F812-T912 HydrophobicContact CG-CG2 4.22Å; F812-T912 HydrophobicContact CZ-CG2 4.07Å; T912-M914 PolarHBondContact O-N 2.98Å; T912-T915 PolarHBondContact O-N 3.44Å; T912-T915 PolarHBondContact O-OG1 2.85Å
913E58.7Low60.7Low181 Ų18196.1 Ų96.185%0.84652%0.518SS*.G310 helixtrans-58.3-9.6174.5-68.6-168.9147.300113.8T915 R916E913-T915 PolarHBondContact O-N 2.92Å; E913-T915 VanDerWaalsContact O-N 3.13Å; E913-R916 PolarHBondContact O-N 3.41Å
914M42.6Very low58.2Low151 Ų151103 Ų10374%0.74454%0.544SS*.G310 helixtrans-59.6-17173.1-106173.8165.500115.2T912 R916T912-M914 PolarHBondContact O-N 2.98Å; M914-R916 VanDerWaalsContact C-N 3.33Å; M914-R916 PolarHBondContact O-N 3.23Å
915T34.1Very low56Low79 Ų79104.5 Ų104.549%0.48557%0.568SS.*G310 helixtrans-83.8-3.5-175.6-13.10000114.5T912 E913 S917T912-T915 PolarHBondContact O-N 3.44Å; T912-T915 PolarHBondContact O-OG1 2.85Å; E913-T915 PolarHBondContact O-N 2.92Å; E913-T915 VanDerWaalsContact O-N 3.13Å; T915-S917 VanDerWaalsContact C-N 3.27Å; T915-S917 PolarHBondContact O-N 3.33Å
916R32.2Very low54.4Low210 Ų210107.4 Ų107.479%0.79258%0.584SS**G310 helixtrans-78.3-3.4-175-128.2177171.2156.9-2.3114.9E913 M914E913-R916 PolarHBondContact O-N 3.41Å; M914-R916 VanDerWaalsContact C-N 3.33Å; M914-R916 PolarHBondContact O-N 3.23Å
917S29.9Very low52.4Low101 Ų101108.7 Ų108.771%0.70660%0.596SS**G310 helixtrans-101.1-3.4-179.452.40000115.5T915T915-S917 VanDerWaalsContact C-N 3.27Å; T915-S917 PolarHBondContact O-N 3.33Å
918L34Very low50Low155 Ų155114.8 Ų114.881%0.81263%0.629SS**SBendtrans-114.8-3.6-175.6-87.8145.7000115.2
919S29.8Very low47.3Very low101 Ų101119.2 Ų119.271%0.70666%0.657SS**SBendtrans-122.518.2-178.168.80000114.8
920Q32.1Very low44.3Very low191 Ų191125.4 Ų125.489%0.89369%0.693SS**  trans-114.562163.1-79.7-172.5-17.300109.4
921G33.7Very low41Very low56 Ų56133.2 Ų133.258%0.57774%0.735SS**  trans-132.2114.7166.900000107.7
922T33Very low37.7Very low142 Ų142137 Ų13787%0.87176%0.761SS**  trans82.283.3162.5-240000116.6
923V28Very low35.2Very low139 Ų139143.6 Ų143.684%0.84280%0.796SS**  -151.2109.8116.2-174.10000107.5
924M29.7Very low33.3Very low173 Ų173140.5 Ų140.585%0.85279%0.792SS**  trans-124.7155.1155.7-83.2-101.8-151.200106.1
925P40.5Very low32.4Very low188 Ų188139.5 Ų139.5100%1.22180%0.796SS**  -96.50115.225-32.3000112

Retrieved 925 of 925 residues in 608.7 ms (Link to these results)

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