A0A077ZHU2_TRITR Loading...

Gut specific cysteine proteinase

AlphaFold DB , UniProt , Accession A0A077ZHU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 358 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
1M48.9Very low50.2Low214 Ų214173 Ų173100%1.05486%0.86SS**  0112.40-85.5168.159.200108.3
2H44.3Very low50Low189 Ų189165.8 Ų165.888%0.87585%0.848SS**  trans-73.7129.8-178-69.1-32.8000111.4
3Y54.8Low49.8Very low205 Ų205160.4 Ų160.480%0.80484%0.843SS**  trans-119.7102.5157-81.6-82.4000107.7
4Q51.5Low49.6Very low186 Ų186156.6 Ų156.687%0.86984%0.835SS**  trans-74.9120.8166.9-79.8178.3-39.200108.5L6Q4-L6 PolarHBondContact O-N 3.26Å
5L54.3Low49.9Very low153 Ų153153.3 Ų153.380%0.80183%0.829SS**  trans-77.6111.9168.7-127.686.6000108.4
6L54.7Low50.4Low163 Ų163156.3 Ų156.385%0.85383%0.832SS**  trans-79.5113.3169.5-94.6142.8000109.4Q4 L8Q4-L6 PolarHBondContact O-N 3.26Å; L6-L8 PolarHBondContact O-N 3.4Å
7F47.9Very low51Low177 Ų177150.5 Ų150.578%0.77681%0.812SS**  trans-73.4112.1166.8-93.9-93.2000109.7F9F7-F9 PolarHBondContact O-N 3.27Å
8L50Low52.7Low169 Ų169143.6 Ų143.689%0.88578%0.779SS**  trans-81.6108.3166.1-84.6159.3000109.1L6 G10L6-L8 PolarHBondContact O-N 3.4Å; L8-G10 PolarHBondContact O-N 3.23Å
9F50.2Low54.8Low199 Ų199139.7 Ų139.787%0.87375%0.752SS**  trans-71.3105.2163.4-94.4-91.9000109.1F7 L11F7-F9 PolarHBondContact O-N 3.27Å; F9-L11 PolarHBondContact O-N 2.77Å
10G47.8Very low56.8Low73 Ų73132.8 Ų132.875%0.75372%0.715SS**  trans-72.1110.1166.900000110.2L8 A12L8-G10 PolarHBondContact O-N 3.23Å; G10-A12 PolarHBondContact O-N 2.72Å; G10-A12 VanDerWaalsContact O-N 3.09Å
11L47.6Very low58.7Low175 Ų175128.2 Ų128.292%0.91669%0.689SS**  trans-67.3100.2164.7-81.2160.6000108.5F9 A13F9-L11 PolarHBondContact O-N 2.77Å; L11-A13 PolarHBondContact O-N 3.23Å
12A47.9Very low60.8Low87 Ų87122.1 Ų122.172%0.71966%0.658SS**  trans-68.396.4164.900000108.3G10 C14G10-A12 PolarHBondContact O-N 2.72Å; G10-A12 VanDerWaalsContact O-N 3.09Å; A12-C14 VanDerWaalsContact C-N 3.27Å; A12-C14 PolarHBondContact O-N 2.9Å
13A47.5Very low63.2Low95 Ų95115.1 Ų115.179%0.78563%0.625SS**  trans-67.790.5163.900000107.8L11 S15L11-A13 PolarHBondContact O-N 3.23Å; A13-S15 PolarHBondContact O-N 3.45Å
14C46.8Very low65.1Low107 Ų107106.7 Ų106.772%0.72359%0.593SS**  trans-65.186.8163.6-81.50000107.9A12 F16A12-C14 VanDerWaalsContact C-N 3.27Å; A12-C14 PolarHBondContact O-N 2.9Å; C14-F16 PolarHBondContact O-N 3.15Å; C14-F16 VanDerWaalsContact O-N 3.07Å
15S54.3Low67.1Low107 Ų107101.7 Ų101.775%0.74857%0.569SS**  trans-61.7108160.656.60000106.7A13 A17A13-S15 PolarHBondContact O-N 3.45Å; S15-A17 VanDerWaalsContact C-N 3.31Å; S15-A17 PolarHBondContact O-N 2.82Å
16F57.5Low68.9Low201 Ų20199.1 Ų99.188%0.88255%0.551SS**  trans-60.599.9167.7-82.2-91.3000107C14 A18C14-F16 PolarHBondContact O-N 3.15Å; C14-F16 VanDerWaalsContact O-N 3.07Å; F16-A18 PolarHBondContact O-N 2.74Å
17A61.8Low70.7Confident59 Ų5991.6 Ų91.649%0.48851%0.512SS..  trans-57.1131.6169.500000107S15 E21S15-A17 VanDerWaalsContact C-N 3.31Å; S15-A17 PolarHBondContact O-N 2.82Å; A17-E21 HydrophobicContact CB-CB 4.49Å
18A80.3Confident72.6Confident26 Ų2686.5 Ų86.522%0.21549%0.49CS..  trans-63.9156.417500000109.8F16 Y20 E21 E22 D55F16-A18 PolarHBondContact O-N 2.74Å; A18-Y20 PolarHBondContact O-N 3.47Å; A18-E21 WeakPolarHBondContact CB-OE2 3.37Å; A18-E21 PolarHBondContact O-N 3.2Å; A18-E21 VanDerWaalsContact O-N 3.13Å; A18-E22 PolarHBondContact O-N 3.28Å; A18-E22 VanDerWaalsContact O-N 3.08Å; A18-D55 HydrophobicContact CB-CB 4.14Å
19Y93.8Very high74.4Confident70 Ų7083.6 Ų83.628%0.27547%0.472SS..Hα-helixtrans-52.8-42.7-170.7168.6-88.9000112.1E21 E22 Q23 E58 L61Y19-E21 PolarHBondContact O-N 3.07Å; Y19-E22 PolarHBondContact O-N 3.44Å; Y19-Q23 HydrophobicContact CD1-CG 3.97Å; Y19-Q23 HydrophobicContact CD2-CG 4.04Å; Y19-Q23 HydrophobicContact CE1-CG 3.54Å; Y19-Q23 HydrophobicContact CE2-CG 3.65Å; Y19-Q23 HydrophobicContact CG-CG 4.2Å; Y19-Q23 WeakPolarHBondContact O-CB 3.38Å; Y19-Q23 VanDerWaalsContact O-CG 3.27Å; Y19-Q23 WeakPolarHBondContact O-CG 3.25Å; Y19-Q23 PolarHBondContact O-N 3.37Å; Y19-E58 HydrophobicContact CD1-CB 3.93Å; Y19-E58 VanDerWaalsContact CD1-N 3.34Å; Y19-E58 HydrophobicContact CD2-CB 4.01Å; Y19-E58 HydrophobicContact CE1-CB 3.63Å; Y19-E58 HydrophobicContact CE1-CG 3.98Å; Y19-E58 HydrophobicContact CE2-CB 3.68Å; Y19-E58 HydrophobicContact CE2-CG 4.06Å; Y19-E58 HydrophobicContact CG-CB 4.11Å; Y19-E58 VanDerWaalsContact CZ-CB 3.48Å; Y19-E58 WeakPolarHBondContact OH-CG 3.34Å; Y19-L61 HydrophobicContact CD1-CD1 4.23Å; Y19-L61 HydrophobicContact CE1-CD1 3.94Å
20Y94.9Very high76.2Confident1 Ų177.2 Ų77.20%0.00444%0.443CS..Hα-helixtrans-58.8-47.2179.8-179.7-109.5000112.7A18 Q23 Y24 M49 N50 F53 A56 L61 F284 Y285A18-Y20 PolarHBondContact O-N 3.47Å; Y20-Q23 PolarHBondContact O-N 2.88Å; Y20-Y24 PolarHBondContact O-N 3.04Å; Y20-M49 HydrophobicContact CE1-CB 4.19Å; Y20-M49 HydrophobicContact CE1-CG 4.28Å; Y20-N50 WeakPolarHBondContact OH-CB 3.41Å; Y20-N50 PolarHBondContact OH-N 2.93Å; Y20-F53 HydrophobicContact CD1-CB 3.99Å; Y20-F53 VanDerWaalsContact CD1-O 3.3Å; Y20-F53 WeakPolarHBondContact CD1-O 3.21Å; Y20-F53 HydrophobicContact CD2-CB 3.75Å; Y20-F53 HydrophobicContact CE1-CB 3.79Å; Y20-F53 HydrophobicContact CE2-CB 3.53Å; Y20-F53 AromaticContact CE2-CD2 3.92Å; Y20-F53 HydrophobicContact CE2-CD2 3.92Å; Y20-F53 HydrophobicContact CE2-CG 4.05Å; Y20-F53 HydrophobicContact CG-CB 3.97Å; Y20-A56 PolarHBondContact N-O 3.31Å; Y20-A56 VanDerWaalsContact N-O 3.14Å; Y20-L61 HydrophobicContact CD2-CD1 4.17Å; Y20-L61 HydrophobicContact CD2-CD2 4.38Å; Y20-F284 HydrophobicContact CE2-CB 3.96Å; Y20-F284 PolarHBondContact OH-O 3.19Å; Y20-Y285 HydrophobicContact CD1-CE1 4.37Å; Y20-Y285 HydrophobicContact CD2-CD1 4.49Å; Y20-Y285 AromaticContact CD2-CE1 3.56Å; Y20-Y285 HydrophobicContact CD2-CE1 3.56Å; Y20-Y285 AromaticContact CD2-CZ 3.77Å; Y20-Y285 HydrophobicContact CE1-CD1 4.31Å; Y20-Y285 AromaticContact CE1-CE1 3.95Å; Y20-Y285 HydrophobicContact CE1-CE1 3.95Å; Y20-Y285 AromaticContact CE2-CD1 3.58Å; Y20-Y285 HydrophobicContact CE2-CD1 3.58Å; Y20-Y285 AromaticContact CE2-CE1 3.04Å; Y20-Y285 HydrophobicContact CE2-CE1 3.04Å; Y20-Y285 HydrophobicContact CE2-CE2 4.37Å; Y20-Y285 HydrophobicContact CE2-CG 4.42Å; Y20-Y285 AromaticContact CE2-CZ 3.53Å; Y20-Y285 HydrophobicContact CG-CE1 4.2Å; Y20-Y285 AromaticContact CZ-CD1 3.45Å; Y20-Y285 VanDerWaalsContact CZ-CD1 3.45Å; Y20-Y285 AromaticContact CZ-CE1 3.26Å; Y20-Y285 PolarHBondContact O-OH 2.91Å; Y20-Y285 WeakPolarHBondContact OH-CD1 3.44Å
21E94.9Very high78Confident37 Ų3774.5 Ų74.517%0.17341%0.411CS..Hα-helixtrans-66.1-40.8179.1-67.772.5-166.200111.3A17 A18 Y19 Y24 E25 M49 D55A17-E21 HydrophobicContact CB-CB 4.49Å; A18-E21 WeakPolarHBondContact CB-OE2 3.37Å; A18-E21 PolarHBondContact O-N 3.2Å; A18-E21 VanDerWaalsContact O-N 3.13Å; Y19-E21 PolarHBondContact O-N 3.07Å; E21-Y24 WeakPolarHBondContact O-CB 3.49Å; E21-Y24 PolarHBondContact O-N 2.86Å; E21-E25 PolarHBondContact O-N 3.09Å; E21-M49 HydrophobicContact CG-SD 4.12Å; E21-D55 PolarHBondContact OE1-N 3.23Å
22E94.9Very high79.6Confident86 Ų8671.7 Ų71.740%0.40239%0.393SS..Hα-helixtrans-65.5-43176-167.5-166.8156.300111.9A18 Y19 Y24 E25 K26A18-E22 PolarHBondContact O-N 3.28Å; A18-E22 VanDerWaalsContact O-N 3.08Å; Y19-E22 PolarHBondContact O-N 3.44Å; E22-Y24 VanDerWaalsContact C-N 3.34Å; E22-E25 PolarHBondContact O-N 3.02Å; E22-K26 HydrophobicContact CG-CD 4.46Å; E22-K26 WeakPolarHBondContact O-CG 3.49Å; E22-K26 PolarHBondContact O-N 3.42Å; E22-K26 VanDerWaalsContact O-N 3.11Å; E22-K26 VanDerWaalsContact OE1-CE 3.22Å; E22-K26 WeakPolarHBondContact OE1-CE 3.49Å; E22-K26 IonicContact OE1-NZ 3.6Å; E22-K26 PolarHBondContact OE1-NZ 2.87Å
23Q94.7Very high81Confident41 Ų4174.2 Ų74.219%0.19239%0.39CS..Hα-helixtrans-66.9-34.7177.5-70.8-44.5-51.900112.3Y19 Y20 E25 K26 L27 Y285Y19-Q23 HydrophobicContact CD1-CG 3.97Å; Y19-Q23 HydrophobicContact CD2-CG 4.04Å; Y19-Q23 HydrophobicContact CE1-CG 3.54Å; Y19-Q23 HydrophobicContact CE2-CG 3.65Å; Y19-Q23 HydrophobicContact CG-CG 4.2Å; Y19-Q23 WeakPolarHBondContact O-CB 3.38Å; Y19-Q23 VanDerWaalsContact O-CG 3.27Å; Y19-Q23 WeakPolarHBondContact O-CG 3.25Å; Y19-Q23 PolarHBondContact O-N 3.37Å; Y20-Q23 PolarHBondContact O-N 2.88Å; Q23-E25 PolarHBondContact O-N 3.05Å; Q23-K26 PolarHBondContact O-N 3.26Å; Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 WeakPolarHBondContact O-CG 3.4Å; Q23-L27 PolarHBondContact O-N 3.39Å; Q23-Y285 VanDerWaalsContact CB-OH 3.23Å; Q23-Y285 WeakPolarHBondContact CB-OH 3.2Å
24Y93.9Very high82.2Confident29 Ų2974.8 Ų74.811%0.11437%0.372CS..Hα-helixtrans-56.2-51.7174178.4-113.1000111.3Y20 E21 E22 K26 L27 K28 F47 M49 Y285Y20-Y24 PolarHBondContact O-N 3.04Å; E21-Y24 WeakPolarHBondContact O-CB 3.49Å; E21-Y24 PolarHBondContact O-N 2.86Å; E22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-K26 VanDerWaalsContact C-N 3.35Å; Y24-K26 PolarHBondContact O-N 3.26Å; Y24-L27 PolarHBondContact O-N 2.79Å; Y24-K28 HydrophobicContact CE1-CD 4.1Å; Y24-K28 VanDerWaalsContact O-CB 3.24Å; Y24-K28 WeakPolarHBondContact O-CB 3.41Å; Y24-K28 PolarHBondContact O-N 2.93Å; Y24-F47 HydrophobicContact CD2-CD1 4.3Å; Y24-F47 AromaticContact CD2-CE1 3.64Å; Y24-F47 HydrophobicContact CD2-CE1 3.64Å; Y24-F47 HydrophobicContact CD2-CZ 4.13Å; Y24-F47 AromaticContact CE2-CD1 3.61Å; Y24-F47 HydrophobicContact CE2-CD1 3.61Å; Y24-F47 AromaticContact CE2-CE1 3.4Å; Y24-F47 HydrophobicContact CE2-CE1 3.4Å; Y24-F47 VanDerWaalsContact CE2-CE1 3.4Å; Y24-F47 HydrophobicContact CE2-CZ 4.25Å; Y24-F47 PolarHBondContact OH-O 2.93Å; Y24-M49 HydrophobicContact CD1-CG 3.72Å; Y24-M49 HydrophobicContact CD1-SD 4.11Å; Y24-M49 HydrophobicContact CD2-CG 4.1Å; Y24-M49 HydrophobicContact CE1-CG 4.09Å; Y24-M49 HydrophobicContact CE2-CG 4.43Å; Y24-M49 HydrophobicContact CG-CG 3.72Å; Y24-M49 HydrophobicContact CG-SD 4.48Å; Y24-Y285 VanDerWaalsContact CB-CE1 3.48Å; Y24-Y285 AromaticContact CD2-CD1 3.4Å; Y24-Y285 HydrophobicContact CD2-CD1 3.4Å; Y24-Y285 VanDerWaalsContact CD2-CD1 3.4Å; Y24-Y285 AromaticContact CD2-CE1 3.81Å; Y24-Y285 HydrophobicContact CD2-CE1 3.81Å; Y24-Y285 AromaticContact CD2-CG 3.91Å; Y24-Y285 HydrophobicContact CD2-CG 3.91Å; Y24-Y285 HydrophobicContact CE2-CD1 4.28Å; Y24-Y285 HydrophobicContact CG-CD1 4.1Å; Y24-Y285 HydrophobicContact CG-CE1 4.07Å; Y24-Y285 PolarHBondContact N-OH 2.84Å
25E92.8Very high83.1Confident80 Ų8071 Ų7137%0.37434%0.344SS..Hα-helixtrans-65.3-38.5-179.5-69.8-58.5148.200111.7E21 E22 Q23 K28 Q29E21-E25 PolarHBondContact O-N 3.09Å; E22-E25 PolarHBondContact O-N 3.02Å; Q23-E25 PolarHBondContact O-N 3.05Å; E25-K28 PolarHBondContact O-N 2.6Å; E25-K28 IonicContact OE1-NZ 3.67Å; E25-K28 IonicContact OE2-NZ 2.6Å; E25-Q29 VanDerWaalsContact O-CG 3.31Å; E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 3.01Å
26K92.8Very high83.3Confident99 Ų9972.7 Ų72.743%0.4335%0.345SS..Hα-helixtrans-60-48.5173.6-76.5172.7170171.30112.5E22 Q23 Y24 K30E22-K26 HydrophobicContact CG-CD 4.46Å; E22-K26 WeakPolarHBondContact O-CG 3.49Å; E22-K26 PolarHBondContact O-N 3.42Å; E22-K26 VanDerWaalsContact O-N 3.11Å; E22-K26 VanDerWaalsContact OE1-CE 3.22Å; E22-K26 WeakPolarHBondContact OE1-CE 3.49Å; E22-K26 IonicContact OE1-NZ 3.6Å; E22-K26 PolarHBondContact OE1-NZ 2.87Å; Q23-K26 PolarHBondContact O-N 3.26Å; Y24-K26 VanDerWaalsContact C-N 3.35Å; Y24-K26 PolarHBondContact O-N 3.26Å; K26-K30 VanDerWaalsContact O-CB 3.3Å; K26-K30 WeakPolarHBondContact O-CB 3.36Å; K26-K30 PolarHBondContact O-N 3.11Å
27L91.7Very high83.1Confident6 Ų669.9 Ų69.93%0.03134%0.339CS..Hα-helixtrans-67-41.7179.3-73.5175.5000111.7Q23 Y24 Q29 K30 F31 F47 D281 Y285Q23-L27 WeakPolarHBondContact O-CB 3.4Å; Q23-L27 WeakPolarHBondContact O-CG 3.4Å; Q23-L27 PolarHBondContact O-N 3.39Å; Y24-L27 PolarHBondContact O-N 2.79Å; L27-Q29 PolarHBondContact O-N 3.46Å; L27-K30 HydrophobicContact CD2-CD 4.47Å; L27-K30 PolarHBondContact O-N 3.43Å; L27-F31 HydrophobicContact CB-CE2 4.25Å; L27-F31 HydrophobicContact CB-CZ 4.24Å; L27-F31 HydrophobicContact CD2-CE1 4.04Å; L27-F31 HydrophobicContact CD2-CZ 3.87Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 WeakPolarHBondContact O-CD1 3.5Å; L27-F31 WeakPolarHBondContact O-CG 3.16Å; L27-F31 PolarHBondContact O-N 2.98Å; L27-F47 HydrophobicContact CB-CE1 4.45Å; L27-F47 HydrophobicContact CB-CZ 3.88Å; L27-F47 HydrophobicContact CD1-CZ 4.26Å; L27-D281 HydrophobicContact CD1-CB 4.32Å; L27-Y285 HydrophobicContact CD1-CD2 3.94Å; L27-Y285 HydrophobicContact CD1-CE2 3.49Å; L27-Y285 VanDerWaalsContact CD1-CE2 3.49Å
28K88.8Confident82.8Confident70 Ų7070.7 Ų70.730%0.30434%0.338SS..Hα-helixtrans-57.3-48.8176.2-177.7-179.9172.9-169.60111.6Y24 E25 F31 Q32 F47Y24-K28 HydrophobicContact CE1-CD 4.1Å; Y24-K28 VanDerWaalsContact O-CB 3.24Å; Y24-K28 WeakPolarHBondContact O-CB 3.41Å; Y24-K28 PolarHBondContact O-N 2.93Å; E25-K28 PolarHBondContact O-N 2.6Å; E25-K28 IonicContact OE1-NZ 3.67Å; E25-K28 IonicContact OE2-NZ 2.6Å; K28-F31 PolarHBondContact O-N 2.9Å; K28-Q32 WeakPolarHBondContact O-CB 3.24Å; K28-Q32 VanDerWaalsContact O-CG 3.25Å; K28-Q32 WeakPolarHBondContact O-CG 3.45Å; K28-Q32 PolarHBondContact O-N 2.82Å; K28-F47 HydrophobicContact CB-CE1 4.45Å
29Q88.5Confident81.3Confident108 Ų10875 Ų7551%0.50536%0.362SS..Hα-helixtrans-62-46175.6-70.4175.512.200111.7E25 L27 F31 Q32 Q33E25-Q29 VanDerWaalsContact O-CG 3.31Å; E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 3.01Å; L27-Q29 PolarHBondContact O-N 3.46Å; Q29-F31 VanDerWaalsContact C-N 3.33Å; Q29-F31 PolarHBondContact O-N 3.02Å; Q29-Q32 PolarHBondContact O-N 3.23Å; Q29-Q33 WeakPolarHBondContact O-CG 3.17Å; Q29-Q33 PolarHBondContact O-N 2.97Å
30K87.7Confident79.3Confident64 Ų6474.9 Ų74.928%0.27837%0.369SS..Hα-helixtrans-59.5-40.6178.3-177.4-179.5-177.5-1770112.5K26 L27 R34 G296K26-K30 VanDerWaalsContact O-CB 3.3Å; K26-K30 WeakPolarHBondContact O-CB 3.36Å; K26-K30 PolarHBondContact O-N 3.11Å; L27-K30 HydrophobicContact CD2-CD 4.47Å; L27-K30 PolarHBondContact O-N 3.43Å; K30-R34 PolarHBondContact O-N 3.38Å; K30-G296 WeakPolarHBondContact CE-O 3.22Å; K30-G296 PolarHBondContact NZ-O 2.81Å
31F85.1Confident77.2Confident17 Ų1778.4 Ų78.48%0.07539%0.391CS..Hα-helixtrans-74.8-41.3-179.5-63.5-8.7000111.1L27 K28 Q29 Q33 R34 N35 F47 D282 H294 A297L27-F31 HydrophobicContact CB-CE2 4.25Å; L27-F31 HydrophobicContact CB-CZ 4.24Å; L27-F31 HydrophobicContact CD2-CE1 4.04Å; L27-F31 HydrophobicContact CD2-CZ 3.87Å; L27-F31 WeakPolarHBondContact O-CB 3.48Å; L27-F31 WeakPolarHBondContact O-CD1 3.5Å; L27-F31 WeakPolarHBondContact O-CG 3.16Å; L27-F31 PolarHBondContact O-N 2.98Å; K28-F31 PolarHBondContact O-N 2.9Å; Q29-F31 VanDerWaalsContact C-N 3.33Å; Q29-F31 PolarHBondContact O-N 3.02Å; F31-Q33 VanDerWaalsContact C-N 3.32Å; F31-Q33 PolarHBondContact O-N 3.18Å; F31-R34 PolarHBondContact O-N 3.37Å; F31-N35 WeakPolarHBondContact O-CB 3.49Å; F31-N35 PolarHBondContact O-N 3.39Å; F31-N35 PolarHBondContact O-ND2 3.41Å; F31-F47 HydrophobicContact CD2-CE2 4.44Å; F31-F47 HydrophobicContact CD2-CZ 4.35Å; F31-F47 HydrophobicContact CE2-CD2 4.41Å; F31-F47 AromaticContact CE2-CE2 3.84Å; F31-F47 HydrophobicContact CE2-CE2 3.84Å; F31-F47 AromaticContact CE2-CZ 3.97Å; F31-F47 HydrophobicContact CE2-CZ 3.97Å; F31-D282 HydrophobicContact CE2-CB 3.87Å; F31-D282 HydrophobicContact CZ-CB 3.84Å; F31-H294 HydrophobicContact CD1-CB 4.35Å; F31-H294 AromaticContact CD1-CE1 3.38Å; F31-H294 WeakPolarHBondContact CD1-CE1 3.4Å; F31-H294 AromaticContact CD1-CG 3.64Å; F31-H294 AromaticContact CD1-ND1 3.18Å; F31-H294 WeakPolarHBondContact CD1-ND1 3.44Å; F31-H294 AromaticContact CD1-NE2 3.9Å; F31-H294 HydrophobicContact CD2-CB 4.42Å; F31-H294 HydrophobicContact CE1-CB 3.87Å; F31-H294 AromaticContact CE1-CE1 3.91Å; F31-H294 AromaticContact CE1-CG 3.6Å; F31-H294 AromaticContact CE1-ND1 3.22Å; F31-H294 WeakPolarHBondContact CE1-ND1 3.45Å; F31-H294 HydrophobicContact CE2-CB 3.94Å; F31-H294 AromaticContact CG-CD2 3.97Å; F31-H294 AromaticContact CG-CE1 3.92Å; F31-H294 AromaticContact CG-CG 3.94Å; F31-H294 AromaticContact CG-ND1 3.9Å; F31-H294 AromaticContact CG-NE2 3.97Å; F31-H294 HydrophobicContact CZ-CB 3.63Å; F31-H294 AromaticContact CZ-CG 3.84Å; F31-H294 AromaticContact CZ-ND1 3.93Å; F31-A297 HydrophobicContact CZ-CB 4.48Å
32Q80.4Confident75.2Confident116 Ų11681.5 Ų81.554%0.54240%0.401SS..Hα-helixtrans-56.8-43.8173.6-75.3174-16.300112.3K28 Q29 R34K28-Q32 WeakPolarHBondContact O-CB 3.24Å; K28-Q32 VanDerWaalsContact O-CG 3.25Å; K28-Q32 WeakPolarHBondContact O-CG 3.45Å; K28-Q32 PolarHBondContact O-N 2.82Å; Q29-Q32 PolarHBondContact O-N 3.23Å; Q32-R34 PolarHBondContact O-N 3Å
33Q77.8Confident73.4Confident139 Ų13984.8 Ų84.865%0.6541%0.414SS*.Hα-helixtrans-63.9-37.9177.7-71.2172.83.600112.9Q29 F31Q29-Q33 WeakPolarHBondContact O-CG 3.17Å; Q29-Q33 PolarHBondContact O-N 2.97Å; F31-Q33 VanDerWaalsContact C-N 3.32Å; F31-Q33 PolarHBondContact O-N 3.18Å
34R72.3Confident71.6Confident107 Ų10784.4 Ų84.440%0.40442%0.418SS..Hα-helixtrans-79.4-30.4180-77.6-169.6-179.9-170.94.6114K30 F31 Q32 N36 N37 V38 P295K30-R34 PolarHBondContact O-N 3.38Å; F31-R34 PolarHBondContact O-N 3.37Å; Q32-R34 PolarHBondContact O-N 3Å; R34-N36 PolarHBondContact O-N 3.01Å; R34-N37 WeakPolarHBondContact O-CA 3.04Å; R34-N37 PolarHBondContact O-N 3.05Å; R34-V38 PolarHBondContact O-N 2.96Å; R34-P295 PolarHBondContact NH1-O 2.69Å
35N65.4Low70.5Confident28 Ų2884.4 Ų84.415%0.1542%0.42CS..Hα-helixtrans-70.8-12.4-177.2-71.2-28.1000113.6F31 N37 W42 H294F31-N35 WeakPolarHBondContact O-CB 3.49Å; F31-N35 PolarHBondContact O-N 3.39Å; F31-N35 PolarHBondContact O-ND2 3.41Å; N35-N37 PolarHBondContact O-N 3.19Å; N35-W42 HydrophobicContact CB-CZ2 4.04Å; N35-W42 VanDerWaalsContact CG-CD1 3.5Å; N35-W42 WeakPolarHBondContact ND2-CZ2 3.46Å; N35-W42 PolarHBondContact ND2-NE1 3.31Å; N35-W42 VanDerWaalsContact ND2-NE1 3.19Å; N35-W42 PolarHBondContact OD1-NE1 3.47Å; N35-H294 PolarHBondContact OD1-NE2 2.91Å
36N59.6Low69.7Low142 Ų14286.1 Ų86.176%0.75943%0.427SS*.THydrogen-bonded Turntrans-70.5-12.7165.4-70.1-13.9000113R34R34-N36 PolarHBondContact O-N 3.01Å
37N53.7Low69.3Low143 Ų14383.9 Ų83.977%0.76542%0.418SS*.SBendtrans-122.2-0.4-176-66.9-19.3000114.6R34 N35R34-N37 WeakPolarHBondContact O-CA 3.04Å; R34-N37 PolarHBondContact O-N 3.05Å; N35-N37 PolarHBondContact O-N 3.19Å
38V53.8Low69.3Low76 Ų7684.1 Ų84.146%0.46142%0.422SS..SBendtrans-136.1127.3-175.9-174.50000110.8R34R34-V38 PolarHBondContact O-N 2.96Å
39V49.6Very low69.4Low117 Ų11785.8 Ų85.871%0.70943%0.432SS*.  trans-48.1139.8176.6178.20000110.7T41V39-T41 VanDerWaalsContact C-N 3.25Å; V39-T41 PolarHBondContact O-N 3.02Å
40P52.1Low69.6Low66 Ų6680.8 Ų80.843%0.42941%0.409SS..SBendtrans-79.853.1-157.333.8-38.6000114.6W42 K43P40-W42 PolarHBondContact O-N 2.75Å; P40-K43 HydrophobicContact CB-CB 4.41Å; P40-K43 HydrophobicContact CB-CD 3.69Å; P40-K43 HydrophobicContact CB-CG 3.79Å; P40-K43 HydrophobicContact CG-CD 4.37Å; P40-K43 PolarHBondContact O-N 2.73Å
41T50.7Low69.8Low76 Ų7682.2 Ų82.247%0.46642%0.424SS..G310 helixtrans-65.2-20.6174.251.50000112.8V39 K315V39-T41 VanDerWaalsContact C-N 3.25Å; V39-T41 PolarHBondContact O-N 3.02Å; T41-K315 PolarHBondContact O-NZ 3.41Å
42W53.2Low70.2Confident102 Ų10281.9 Ų81.939%0.38642%0.423SS..G310 helixtrans-78.1-16.4177.172.6-91.1000114.2N35 P40 A44 I45N35-W42 HydrophobicContact CB-CZ2 4.04Å; N35-W42 VanDerWaalsContact CG-CD1 3.5Å; N35-W42 WeakPolarHBondContact ND2-CZ2 3.46Å; N35-W42 PolarHBondContact ND2-NE1 3.31Å; N35-W42 VanDerWaalsContact ND2-NE1 3.19Å; N35-W42 PolarHBondContact OD1-NE1 3.47Å; P40-W42 PolarHBondContact O-N 2.75Å; W42-A44 PolarHBondContact O-N 2.96Å; W42-I45 PolarHBondContact O-N 3Å
43K56.4Low70.9Confident155 Ų15576.4 Ų76.467%0.67440%0.397SS*.G310 helixtrans-62.1-7.2-179.4-81.4-172.7-174.4-177.80114.1P40 I45P40-K43 HydrophobicContact CB-CB 4.41Å; P40-K43 HydrophobicContact CB-CD 3.69Å; P40-K43 HydrophobicContact CB-CG 3.79Å; P40-K43 HydrophobicContact CG-CD 4.37Å; P40-K43 PolarHBondContact O-N 2.73Å; K43-I45 VanDerWaalsContact C-N 3.35Å
44A57.8Low71.6Confident32 Ų3275.9 Ų75.926%0.26439%0.393SS..G310 helixtrans-85.60.5-179.400000114.6W42 G289 I290W42-A44 PolarHBondContact O-N 2.96Å; A44-G289 WeakPolarHBondContact O-CA 3.49Å; A44-I290 PolarHBondContact O-N 3.08Å
45I69.3Low72.6Confident30 Ų3075.4 Ų75.415%0.15440%0.398CS..EExtended strand (participates in β ladder)trans-119.9134.5-179.1-55.6165000108.9W42 K43 Y286 I290 Y291 Q292W42-I45 PolarHBondContact O-N 3Å; K43-I45 VanDerWaalsContact C-N 3.35Å; I45-Y286 HydrophobicContact CG2-CD2 4.15Å; I45-I290 WeakPolarHBondContact CG1-O 3.33Å; I45-Y291 HydrophobicContact CD1-CD2 4.21Å; I45-Q292 HydrophobicContact CD1-CB 4.49Å; I45-Q292 VanDerWaalsContact CD1-N 3.33Å; I45-Q292 WeakPolarHBondContact CD1-O 3.39Å
46Q76.6Confident73.9Confident115 Ų11574.1 Ų74.154%0.53739%0.392SS..EExtended strand (participates in β ladder)trans-83.5113.1162.7-64.6-172.21.100108.3T287 D288Q46-T287 WeakPolarHBondContact CB-OG1 3.29Å; Q46-T287 PolarHBondContact O-N 3.36Å; Q46-T287 VanDerWaalsContact O-N 3.11Å; Q46-T287 PolarHBondContact O-OG1 2.81Å; Q46-D288 HydrophobicContact CB-CB 4.12Å; Q46-D288 HydrophobicContact CG-CB 4.13Å; Q46-D288 PolarHBondContact N-O 3.45Å
47F85.3Confident75.6Confident52 Ų5269.5 Ų69.523%0.22837%0.371CS..EExtended strand (participates in β ladder)trans-100.4111.3-180-176.6-98.1000109.6Y24 L27 K28 F31 D282 Y285Y24-F47 HydrophobicContact CD2-CD1 4.3Å; Y24-F47 AromaticContact CD2-CE1 3.64Å; Y24-F47 HydrophobicContact CD2-CE1 3.64Å; Y24-F47 HydrophobicContact CD2-CZ 4.13Å; Y24-F47 AromaticContact CE2-CD1 3.61Å; Y24-F47 HydrophobicContact CE2-CD1 3.61Å; Y24-F47 AromaticContact CE2-CE1 3.4Å; Y24-F47 HydrophobicContact CE2-CE1 3.4Å; Y24-F47 VanDerWaalsContact CE2-CE1 3.4Å; Y24-F47 HydrophobicContact CE2-CZ 4.25Å; Y24-F47 PolarHBondContact OH-O 2.93Å; L27-F47 HydrophobicContact CB-CE1 4.45Å; L27-F47 HydrophobicContact CB-CZ 3.88Å; L27-F47 HydrophobicContact CD1-CZ 4.26Å; K28-F47 HydrophobicContact CB-CE1 4.45Å; F31-F47 HydrophobicContact CD2-CE2 4.44Å; F31-F47 HydrophobicContact CD2-CZ 4.35Å; F31-F47 HydrophobicContact CE2-CD2 4.41Å; F31-F47 AromaticContact CE2-CE2 3.84Å; F31-F47 HydrophobicContact CE2-CE2 3.84Å; F31-F47 AromaticContact CE2-CZ 3.97Å; F31-F47 HydrophobicContact CE2-CZ 3.97Å; F47-D282 HydrophobicContact CE2-CB 3.91Å; F47-Y285 WeakPolarHBondContact CA-O 3.34Å; F47-Y285 AromaticContact CE2-CD2 3.72Å; F47-Y285 HydrophobicContact CE2-CD2 3.72Å; F47-Y285 AromaticContact CE2-CG 3.85Å; F47-Y285 HydrophobicContact CE2-CG 3.85Å; F47-Y285 AromaticContact CZ-CD2 3.69Å; F47-Y285 HydrophobicContact CZ-CD2 3.69Å; F47-Y285 AromaticContact CZ-CG 3.8Å; F47-Y285 HydrophobicContact CZ-CG 3.8Å
48G91.3Very high77.5Confident12 Ų1266.5 Ų66.512%0.12435%0.352CS..  trans-159.4161.3-171.800000113.5N50 Y285G48-N50 PolarHBondContact O-N 2.96Å; G48-Y285 PolarHBondContact N-O 3.08Å; G48-Y285 CarbonylContact O-C 3.31Å; G48-Y285 VanDerWaalsContact O-C 3.31Å; G48-Y285 WeakPolarHBondContact O-CA 3.22Å; G48-Y285 WeakPolarHBondContact O-CB 3.4Å
49M91.7Very high79.4Confident104 Ų10465.9 Ų65.951%0.51236%0.355SS..  trans-65.1129.8176.4-69.6-174.3-69.800110.7Y20 E21 Y24Y20-M49 HydrophobicContact CE1-CB 4.19Å; Y20-M49 HydrophobicContact CE1-CG 4.28Å; E21-M49 HydrophobicContact CG-SD 4.12Å; Y24-M49 HydrophobicContact CD1-CG 3.72Å; Y24-M49 HydrophobicContact CD1-SD 4.11Å; Y24-M49 HydrophobicContact CD2-CG 4.1Å; Y24-M49 HydrophobicContact CE1-CG 4.09Å; Y24-M49 HydrophobicContact CE2-CG 4.43Å; Y24-M49 HydrophobicContact CG-CG 3.72Å; Y24-M49 HydrophobicContact CG-SD 4.48Å
50N92.2Very high81.5Confident4 Ų460.4 Ų60.42%0.02132%0.322CS..  trans-99.2125-177.5-166.9-61.4000109.4Y20 G48 Y52 F53 Y286 T327 F328 G329Y20-N50 WeakPolarHBondContact OH-CB 3.41Å; Y20-N50 PolarHBondContact OH-N 2.93Å; G48-N50 PolarHBondContact O-N 2.96Å; N50-Y52 PolarHBondContact O-N 3.25Å; N50-Y52 WeakPolarHBondContact OD1-CB 3.22Å; N50-Y52 PolarHBondContact OD1-N 2.75Å; N50-F53 HydrophobicContact CB-CD2 3.93Å; N50-F53 HydrophobicContact CB-CE2 4.44Å; N50-F53 PolarHBondContact O-N 2.94Å; N50-Y286 PolarHBondContact ND2-O 3.36Å; N50-Y286 VanDerWaalsContact ND2-O 3.1Å; N50-T327 PolarHBondContact OD1-O 2.79Å; N50-F328 WeakPolarHBondContact ND2-CD2 3.2Å; N50-F328 WeakPolarHBondContact OD1-CA 3.16Å; N50-G329 PolarHBondContact ND2-N 3.19Å
51P92.6Very high83.5Confident93 Ų9357.6 Ų57.660%0.60430%0.303SS*.G310 helixtrans-56.4-27.3-175.9-27.334.8000114.4F53 K54P51-F53 PolarHBondContact O-N 2.89Å; P51-K54 WeakPolarHBondContact O-CB 3.47Å; P51-K54 PolarHBondContact O-N 2.84Å
52Y93.5Very high85.6Confident10 Ų1058.9 Ų58.94%0.03930%0.302CS..G310 helixtrans-64.8-26.9179.5-172.6-98.2000113.5N50 L64 D112 P198 W324 T327N50-Y52 PolarHBondContact O-N 3.25Å; N50-Y52 WeakPolarHBondContact OD1-CB 3.22Å; N50-Y52 PolarHBondContact OD1-N 2.75Å; Y52-L64 HydrophobicContact CE1-CD1 4.03Å; Y52-D112 PolarHBondContact OH-OD1 2.84Å; Y52-D112 VanDerWaalsContact OH-OD1 3.05Å; Y52-P198 HydrophobicContact CD1-CB 4.06Å; Y52-P198 HydrophobicContact CD1-CG 4.28Å; Y52-P198 HydrophobicContact CD2-CB 4.49Å; Y52-P198 HydrophobicContact CD2-CG 4Å; Y52-P198 HydrophobicContact CE1-CB 3.44Å; Y52-P198 VanDerWaalsContact CE1-CB 3.44Å; Y52-P198 HydrophobicContact CE1-CG 4Å; Y52-P198 HydrophobicContact CE2-CB 3.95Å; Y52-P198 HydrophobicContact CE2-CG 3.71Å; Y52-P198 HydrophobicContact CG-CG 4.3Å; Y52-P198 WeakPolarHBondContact O-CG 3.24Å; Y52-W324 HydrophobicContact CD1-CB 3.77Å; Y52-W324 HydrophobicContact CD1-CG 4.27Å; Y52-W324 HydrophobicContact CD2-CB 4.42Å; Y52-W324 WeakPolarHBondContact CD2-O 3.18Å; Y52-W324 HydrophobicContact CE1-CB 3.44Å; Y52-W324 VanDerWaalsContact CE1-CB 3.44Å; Y52-W324 AromaticContact CE1-CD1 4Å; Y52-W324 HydrophobicContact CE1-CD2 4.5Å; Y52-W324 AromaticContact CE1-CG 3.7Å; Y52-W324 HydrophobicContact CE1-CG 3.7Å; Y52-W324 HydrophobicContact CE2-CB 4.13Å; Y52-W324 WeakPolarHBondContact CE2-O 3.46Å; Y52-W324 HydrophobicContact CG-CB 4.23Å; Y52-W324 VanDerWaalsContact CZ-CA 3.44Å; Y52-T327 WeakPolarHBondContact CD2-OG1 3.28Å
53F94.6Very high87.5Confident1 Ų155.1 Ų55.10%0.00429%0.288CS..G310 helixtrans-1057.4-178.5-58-55.3000113.9Y20 N50 P51 D55 A56 L61 L64 F284 W324 F328Y20-F53 HydrophobicContact CD1-CB 3.99Å; Y20-F53 VanDerWaalsContact CD1-O 3.3Å; Y20-F53 WeakPolarHBondContact CD1-O 3.21Å; Y20-F53 HydrophobicContact CD2-CB 3.75Å; Y20-F53 HydrophobicContact CE1-CB 3.79Å; Y20-F53 HydrophobicContact CE2-CB 3.53Å; Y20-F53 AromaticContact CE2-CD2 3.92Å; Y20-F53 HydrophobicContact CE2-CD2 3.92Å; Y20-F53 HydrophobicContact CE2-CG 4.05Å; Y20-F53 HydrophobicContact CG-CB 3.97Å; N50-F53 HydrophobicContact CB-CD2 3.93Å; N50-F53 HydrophobicContact CB-CE2 4.44Å; N50-F53 PolarHBondContact O-N 2.94Å; P51-F53 PolarHBondContact O-N 2.89Å; F53-D55 PolarHBondContact O-N 2.93Å; F53-A56 HydrophobicContact CB-CB 4.28Å; F53-A56 WeakPolarHBondContact O-CB 3.38Å; F53-A56 PolarHBondContact O-N 3.46Å; F53-L61 HydrophobicContact CB-CD2 4.08Å; F53-L61 HydrophobicContact CD1-CD2 3.4Å; F53-L61 HydrophobicContact CE1-CD2 3.92Å; F53-L61 HydrophobicContact CG-CD2 3.78Å; F53-L64 HydrophobicContact CD1-CD1 4.35Å; F53-L64 HydrophobicContact CE1-CD1 3.59Å; F53-F284 HydrophobicContact CD2-CB 4.12Å; F53-F284 HydrophobicContact CD2-CD1 4.42Å; F53-F284 WeakPolarHBondContact CD2-O 3.4Å; F53-F284 HydrophobicContact CE1-CD1 4.05Å; F53-F284 HydrophobicContact CE2-CB 4.02Å; F53-F284 AromaticContact CE2-CD1 3.83Å; F53-F284 HydrophobicContact CE2-CD1 3.83Å; F53-F284 HydrophobicContact CE2-CG 4.44Å; F53-F284 WeakPolarHBondContact CE2-O 3Å; F53-F284 AromaticContact CZ-CD1 3.62Å; F53-F284 HydrophobicContact CZ-CD1 3.62Å; F53-F284 HydrophobicContact CZ-CE1 4.33Å; F53-W324 HydrophobicContact CE1-CD2 4.48Å; F53-W324 HydrophobicContact CE1-CE3 4.34Å; F53-W324 HydrophobicContact CE2-CE3 4.17Å; F53-W324 HydrophobicContact CE2-CZ3 4.21Å; F53-W324 AromaticContact CZ-CD2 3.95Å; F53-W324 HydrophobicContact CZ-CD2 3.95Å; F53-W324 AromaticContact CZ-CE3 3.41Å; F53-W324 HydrophobicContact CZ-CE3 3.41Å; F53-W324 VanDerWaalsContact CZ-CE3 3.41Å; F53-W324 HydrophobicContact CZ-CH2 4.23Å; F53-W324 AromaticContact CZ-CZ3 3.57Å; F53-W324 HydrophobicContact CZ-CZ3 3.57Å; F53-F328 AromaticContact CE2-CD2 3.82Å; F53-F328 HydrophobicContact CE2-CD2 3.82Å; F53-F328 AromaticContact CE2-CE2 3.87Å; F53-F328 HydrophobicContact CE2-CE2 3.87Å; F53-F328 HydrophobicContact CZ-CD2 4.22Å; F53-F328 HydrophobicContact CZ-CE2 4.35Å
54K92.6Very high89.4Confident129 Ų12947.8 Ų47.856%0.56126%0.256SS*.THydrogen-bonded Turntrans-52.9128.1179.3-172.7-169.8169.4-176.60110.4P51 A56 T199P51-K54 WeakPolarHBondContact O-CB 3.47Å; P51-K54 PolarHBondContact O-N 2.84Å; K54-A56 PolarHBondContact O-N 3.04Å; K54-T199 VanDerWaalsContact O-CG2 3.25Å; K54-T199 WeakPolarHBondContact O-CG2 3.27Å
55D92.6Very high91.2Very high97 Ų9747.1 Ų47.152%0.51925%0.248SC..THydrogen-bonded Turntrans65.616.1-178-48.1-55.1000115.1A18 E21 F53A18-D55 HydrophobicContact CB-CB 4.14Å; E21-D55 PolarHBondContact OE1-N 3.23Å; F53-D55 PolarHBondContact O-N 2.93Å
56A93.6Very high92.4Very high1 Ų145.9 Ų45.91%0.00824%0.243CC..  trans-70.7137.6-178.100000112.9Y20 F53 K54 A60 L61 T199Y20-A56 PolarHBondContact N-O 3.31Å; Y20-A56 VanDerWaalsContact N-O 3.14Å; F53-A56 HydrophobicContact CB-CB 4.28Å; F53-A56 WeakPolarHBondContact O-CB 3.38Å; F53-A56 PolarHBondContact O-N 3.46Å; K54-A56 PolarHBondContact O-N 3.04Å; A56-A60 HydrophobicContact CB-CB 4.3Å; A56-L61 HydrophobicContact CB-CD2 3.87Å; A56-L61 HydrophobicContact CB-CG 4.17Å; A56-T199 HydrophobicContact CB-CG2 3.79Å
57S94.2Very high93.2Very high45 Ų4541.1 Ų41.132%0.31522%0.221SC..  trans-79.3162.7166.871.20000111.8A59 A60 L61S57-A59 VanDerWaalsContact C-N 3.25Å; S57-A59 PolarHBondContact O-N 2.7Å; S57-A60 WeakPolarHBondContact O-CB 3.41Å; S57-A60 PolarHBondContact O-N 3.23Å; S57-A60 PolarHBondContact OG-N 2.88Å; S57-A60 VanDerWaalsContact OG-N 3.14Å; S57-L61 PolarHBondContact O-N 2.84Å; S57-L61 VanDerWaalsContact O-N 3.1Å
58E94.1Very high93.3Very high79 Ų7941.6 Ų41.637%0.36922%0.223SC..Hα-helixtrans-55-43.1173.1-172.2176.7167.300112.3Y19 A60 L61 K62Y19-E58 HydrophobicContact CD1-CB 3.93Å; Y19-E58 VanDerWaalsContact CD1-N 3.34Å; Y19-E58 HydrophobicContact CD2-CB 4.01Å; Y19-E58 HydrophobicContact CE1-CB 3.63Å; Y19-E58 HydrophobicContact CE1-CG 3.98Å; Y19-E58 HydrophobicContact CE2-CB 3.68Å; Y19-E58 HydrophobicContact CE2-CG 4.06Å; Y19-E58 HydrophobicContact CG-CB 4.11Å; Y19-E58 VanDerWaalsContact CZ-CB 3.48Å; Y19-E58 WeakPolarHBondContact OH-CG 3.34Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.1Å; E58-L61 PolarHBondContact O-N 3.39Å; E58-K62 HydrophobicContact CG-CD 4.13Å; E58-K62 PolarHBondContact O-N 2.84Å; E58-K62 VanDerWaalsContact OE1-CE 3.28Å; E58-K62 WeakPolarHBondContact OE1-CE 3.12Å; E58-K62 IonicContact OE1-NZ 3.47Å; E58-K62 PolarHBondContact OE1-NZ 3.43Å
59A92.8Very high92Very high64 Ų6445.9 Ų45.953%0.52924%0.236SC..Hα-helixtrans-61.9-38.4176.500000111.9S57 R63S57-A59 VanDerWaalsContact C-N 3.25Å; S57-A59 PolarHBondContact O-N 2.7Å; A59-R63 VanDerWaalsContact O-CB 3.22Å; A59-R63 WeakPolarHBondContact O-CB 3.26Å; A59-R63 PolarHBondContact O-N 3.34Å; A59-R63 VanDerWaalsContact O-N 3.1Å
60A94.1Very high90.1Very high1 Ų152.6 Ų52.61%0.00826%0.255CS..Hα-helixtrans-64-43.3176.900000111.9A56 S57 E58A56-A60 HydrophobicContact CB-CB 4.3Å; S57-A60 WeakPolarHBondContact O-CB 3.41Å; S57-A60 PolarHBondContact O-N 3.23Å; S57-A60 PolarHBondContact OG-N 2.88Å; S57-A60 VanDerWaalsContact OG-N 3.14Å; E58-A60 VanDerWaalsContact C-N 3.3Å; E58-A60 PolarHBondContact O-N 3.1Å
61L94.7Very high87.7Confident8 Ų856.4 Ų56.44%0.04227%0.274CS..Hα-helixtrans-65.4-51.1177.2-62.8178.7000112.1Y19 Y20 F53 A56 S57 E58 R63 L64 F284Y19-L61 HydrophobicContact CD1-CD1 4.23Å; Y19-L61 HydrophobicContact CE1-CD1 3.94Å; Y20-L61 HydrophobicContact CD2-CD1 4.17Å; Y20-L61 HydrophobicContact CD2-CD2 4.38Å; F53-L61 HydrophobicContact CB-CD2 4.08Å; F53-L61 HydrophobicContact CD1-CD2 3.4Å; F53-L61 HydrophobicContact CE1-CD2 3.92Å; F53-L61 HydrophobicContact CG-CD2 3.78Å; A56-L61 HydrophobicContact CB-CD2 3.87Å; A56-L61 HydrophobicContact CB-CG 4.17Å; S57-L61 PolarHBondContact O-N 2.84Å; S57-L61 VanDerWaalsContact O-N 3.1Å; E58-L61 PolarHBondContact O-N 3.39Å; L61-R63 VanDerWaalsContact C-N 3.27Å; L61-R63 PolarHBondContact O-N 3.49Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-F284 HydrophobicContact CB-CE1 4.02Å; L61-F284 HydrophobicContact CB-CE2 4.25Å; L61-F284 HydrophobicContact CB-CZ 3.85Å; L61-F284 HydrophobicContact CD1-CD2 4.26Å; L61-F284 HydrophobicContact CD1-CE2 4.44Å; L61-F284 HydrophobicContact CD1-CG 4.4Å; L61-F284 HydrophobicContact CD2-CD1 3.9Å; L61-F284 HydrophobicContact CD2-CE1 4.12Å; L61-F284 HydrophobicContact CD2-CG 4.27Å
62K94.3Very high85.4Confident102 Ų10254.6 Ų54.644%0.44326%0.259SS..Hα-helixtrans-59.8-36.8-178.2-80179.1170.7172.70112.7E58 L64 L65 V300E58-K62 HydrophobicContact CG-CD 4.13Å; E58-K62 PolarHBondContact O-N 2.84Å; E58-K62 VanDerWaalsContact OE1-CE 3.28Å; E58-K62 WeakPolarHBondContact OE1-CE 3.12Å; E58-K62 IonicContact OE1-NZ 3.47Å; E58-K62 PolarHBondContact OE1-NZ 3.43Å; K62-L64 PolarHBondContact O-N 2.79Å; K62-L65 WeakPolarHBondContact O-CB 3.16Å; K62-L65 PolarHBondContact O-N 3.42Å; K62-L65 VanDerWaalsContact O-N 3.12Å; K62-V300 HydrophobicContact CG-CG1 3.64Å
63R93.7Very high82.6Confident24 Ų2462.2 Ų62.29%0.09130%0.301CS..Hα-helixtrans-60.4-30.7179.3173.517764.8-142.90.7113.9A59 L61 L65 N115 G117 P198 C200 V201 N202 T203A59-R63 VanDerWaalsContact O-CB 3.22Å; A59-R63 WeakPolarHBondContact O-CB 3.26Å; A59-R63 PolarHBondContact O-N 3.34Å; A59-R63 VanDerWaalsContact O-N 3.1Å; L61-R63 VanDerWaalsContact C-N 3.27Å; L61-R63 PolarHBondContact O-N 3.49Å; R63-L65 PolarHBondContact O-N 3.09Å; R63-N115 VanDerWaalsContact CD-O 3.22Å; R63-N115 WeakPolarHBondContact CD-O 3.42Å; R63-N115 PolarHBondContact NE-O 3.33Å; R63-G117 WeakPolarHBondContact O-CA 3.38Å; R63-P198 PolarHBondContact NH2-O 3.37Å; R63-C200 PolarHBondContact NH1-O 3.47Å; R63-C200 VanDerWaalsContact NH1-O 3.12Å; R63-C200 PolarHBondContact NH2-O 2.95Å; R63-V201 PolarHBondContact NH1-O 2.87Å; R63-V201 VanDerWaalsContact NH1-O 3.08Å; R63-N202 VanDerWaalsContact NH1-C 3.34Å; R63-N202 PolarHBondContact NH1-O 3.45Å; R63-T203 WeakPolarHBondContact CD-OG1 3.32Å; R63-T203 HydrophobicContact CG-CG2 4.13Å
64L95.7Very high80Confident1 Ų165.3 Ų65.31%0.00532%0.316CS..THydrogen-bonded Turntrans-69.7-17-179.6-59.6175.8000112.4Y52 F53 L61 K62 G66 Q113 S114 W324Y52-L64 HydrophobicContact CE1-CD1 4.03Å; F53-L64 HydrophobicContact CD1-CD1 4.35Å; F53-L64 HydrophobicContact CE1-CD1 3.59Å; L61-L64 PolarHBondContact O-N 3.39Å; K62-L64 PolarHBondContact O-N 2.79Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.14Å; L64-G66 VanDerWaalsContact O-N 3.1Å; L64-Q113 HydrophobicContact CD2-CG 4.13Å; L64-Q113 PolarHBondContact O-NE2 3.23Å; L64-S114 WeakPolarHBondContact CD2-O 3.3Å; L64-W324 HydrophobicContact CB-CZ2 4.27Å
65L95.6Very high77.5Confident18 Ų1861.6 Ų61.69%0.09431%0.306CS..  trans-8867.2-176.9-46.8-175.3000110.8K62 R63 V67 V279 F284 V300 A302 H303 W324K62-L65 WeakPolarHBondContact O-CB 3.16Å; K62-L65 PolarHBondContact O-N 3.42Å; K62-L65 VanDerWaalsContact O-N 3.12Å; R63-L65 PolarHBondContact O-N 3.09Å; L65-V67 VanDerWaalsContact C-N 3.32Å; L65-V67 PolarHBondContact O-N 3Å; L65-V279 HydrophobicContact CD1-CB 4.09Å; L65-V279 HydrophobicContact CD1-CG1 4.26Å; L65-V279 HydrophobicContact CD2-CB 3.8Å; L65-V279 HydrophobicContact CD2-CG1 3.93Å; L65-V279 HydrophobicContact CD2-CG2 3.69Å; L65-F284 HydrophobicContact CD1-CZ 4.16Å; L65-F284 HydrophobicContact CD2-CE1 4.39Å; L65-F284 HydrophobicContact CD2-CZ 4.23Å; L65-F284 HydrophobicContact CG-CZ 4.47Å; L65-V300 HydrophobicContact CD1-CB 3.92Å; L65-V300 HydrophobicContact CD1-CG1 3.64Å; L65-A302 CarbonylContact C-O 3.54Å; L65-A302 VanDerWaalsContact CA-O 3.3Å; L65-A302 WeakPolarHBondContact CA-O 3.48Å; L65-A302 WeakPolarHBondContact CB-O 3.06Å; L65-H303 HydrophobicContact CD2-CB 4.06Å; L65-W324 HydrophobicContact CD2-CZ2 4.18Å
66G95.5Very high75.2Confident4 Ų458 Ų584%0.04129%0.288CS..  trans-82.112.7-169.500000116.6L64 G117 C119 G162 G163L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.14Å; L64-G66 VanDerWaalsContact O-N 3.1Å; G66-G117 WeakPolarHBondContact CA-O 3.36Å; G66-C119 WeakPolarHBondContact CA-SG 3.31Å; G66-C119 PolarHBondContact N-SG 2.87Å; G66-G162 CarbonylContact O-C 3.53Å; G66-G162 WeakPolarHBondContact O-CA 3.26Å; G66-G163 PolarHBondContact O-N 3.45Å
67V92.4Very high72.7Confident14 Ų1458.7 Ų58.79%0.08529%0.293CS..BIsolated β-bridgetrans-87.9125.2177.8177.80000110.6L65 W69 A276 A302 H303 A304L65-V67 VanDerWaalsContact C-N 3.32Å; L65-V67 PolarHBondContact O-N 3Å; V67-W69 PolarHBondContact O-N 3.18Å; V67-A276 HydrophobicContact CG1-CB 4.34Å; V67-A276 HydrophobicContact CG2-CB 4.44Å; V67-A302 HydrophobicContact CB-CB 3.78Å; V67-A302 WeakPolarHBondContact CB-O 3.11Å; V67-A302 HydrophobicContact CG1-CB 4.12Å; V67-A302 PolarHBondContact N-O 2.03Å; V67-A302 VanDerWaalsContact N-O 3.11Å; V67-H303 VanDerWaalsContact CG2-C 3.44Å; V67-A304 HydrophobicContact CG2-CB 3.44Å; V67-A304 VanDerWaalsContact CG2-CB 3.44Å; V67-A304 VanDerWaalsContact CG2-N 3.28Å
68K86.9Confident70.4Confident62 Ų6262.7 Ų62.727%0.2730%0.301SS..  trans-87.1100.5172.8-70-175.1172.3-1680110R70 D158 G161 G162 G163 F164K68-R70 PolarHBondContact O-N 3.2Å; K68-D158 IonicContact NZ-OD1 2.67Å; K68-D158 PolarHBondContact NZ-OD1 3.22Å; K68-D158 IonicContact NZ-OD2 3.61Å; K68-D158 PolarHBondContact NZ-OD2 3.03Å; K68-G161 WeakPolarHBondContact CE-O 3.02Å; K68-G162 WeakPolarHBondContact CE-O 3.4Å; K68-G163 PolarHBondContact N-O 3.42Å; K68-F164 HydrophobicContact CB-CD1 4.13Å; K68-F164 HydrophobicContact CB-CE1 3.56Å; K68-F164 HydrophobicContact CB-CE2 4.3Å; K68-F164 HydrophobicContact CB-CZ 3.65Å; K68-F164 HydrophobicContact CD-CE2 4.22Å; K68-F164 HydrophobicContact CD-CZ 4.16Å; K68-F164 WeakPolarHBondContact O-CD1 3.33Å; K68-F164 WeakPolarHBondContact O-CE1 3.34Å
69W64.4Low68.2Low103 Ų10359.2 Ų59.239%0.3929%0.285SS..G310 helixtrans-67.4-20.1-176.1-166.3-97.2000114.5V67 M71 L72 I278 A302 E344V67-W69 PolarHBondContact O-N 3.18Å; W69-M71 PolarHBondContact O-N 3.43Å; W69-L72 HydrophobicContact CD2-CD1 3.41Å; W69-L72 VanDerWaalsContact CD2-CD1 3.41Å; W69-L72 HydrophobicContact CE3-CD1 3.13Å; W69-L72 HydrophobicContact CG-CD1 4.16Å; W69-L72 HydrophobicContact CH2-CD1 3.64Å; W69-L72 HydrophobicContact CZ2-CD1 3.91Å; W69-L72 HydrophobicContact CZ3-CD1 3.25Å; W69-L72 PolarHBondContact O-N 3.18Å; W69-L72 VanDerWaalsContact O-N 3.1Å; W69-I278 HydrophobicContact CD2-CD1 4.42Å; W69-I278 HydrophobicContact CE3-CD1 4.07Å; W69-I278 HydrophobicContact CZ3-CD1 4.17Å; W69-A302 HydrophobicContact CE3-CB 4.2Å; W69-E344 HydrophobicContact CH2-CB 3.89Å; W69-E344 HydrophobicContact CH2-CG 4.34Å
70R52.3Low65.9Low244 Ų24458.2 Ų58.292%0.92128%0.277SS*.G310 helixtrans-67.36-163.9-144.2174.9163.2178.8-5.6115.6K68K68-R70 PolarHBondContact O-N 3.2Å
71M41.5Very low63.3Low85 Ų8562.1 Ų62.142%0.41930%0.304SS..G310 helixtrans-132.913.7172-72.1-145.2-78.800116W69 N73 I74 F164W69-M71 PolarHBondContact O-N 3.43Å; M71-N73 PolarHBondContact O-N 3.21Å; M71-I74 HydrophobicContact CB-CD1 4.16Å; M71-I74 HydrophobicContact CB-CG1 4.37Å; M71-I74 HydrophobicContact CE-CD1 4.44Å; M71-I74 HydrophobicContact CG-CD1 4.25Å; M71-I74 PolarHBondContact O-N 2.96Å; M71-I74 HydrophobicContact SD-CD1 3.37Å; M71-I74 WeakPolarHBondContact SD-CD1 3.44Å; M71-I74 HydrophobicContact SD-CG1 4.33Å; M71-F164 HydrophobicContact CB-CE1 3.93Å; M71-F164 HydrophobicContact CE-CE1 4.41Å; M71-F164 HydrophobicContact CE-CE2 4.22Å; M71-F164 HydrophobicContact CE-CZ 4.01Å; M71-F164 HydrophobicContact CG-CE1 4.35Å; M71-F164 HydrophobicContact CG-CZ 4.5Å
72L43.5Very low60.7Low55 Ų5564.7 Ų64.729%0.28833%0.327SS..THydrogen-bonded Turntrans-68.4-2.7174.9-81.9159.6000114.6W69W69-L72 HydrophobicContact CD2-CD1 3.41Å; W69-L72 VanDerWaalsContact CD2-CD1 3.41Å; W69-L72 HydrophobicContact CE3-CD1 3.13Å; W69-L72 HydrophobicContact CG-CD1 4.16Å; W69-L72 HydrophobicContact CH2-CD1 3.64Å; W69-L72 HydrophobicContact CZ2-CD1 3.91Å; W69-L72 HydrophobicContact CZ3-CD1 3.25Å; W69-L72 PolarHBondContact O-N 3.18Å; W69-L72 VanDerWaalsContact O-N 3.1Å
73N35.3Very low58.5Low170 Ų17063.8 Ų63.891%0.90932%0.324SS*.THydrogen-bonded Turntrans-92.83.5167.8-86.9-14.9000114.5M71 S75M71-N73 PolarHBondContact O-N 3.21Å; N73-S75 PolarHBondContact O-N 3.03Å
74I40Very low56.4Low65 Ų6563.3 Ų63.333%0.33332%0.323SS..SBendtrans-70.7123.2161-63.9-176.9000106.5M71 T76M71-I74 HydrophobicContact CB-CD1 4.16Å; M71-I74 HydrophobicContact CB-CG1 4.37Å; M71-I74 HydrophobicContact CE-CD1 4.44Å; M71-I74 HydrophobicContact CG-CD1 4.25Å; M71-I74 PolarHBondContact O-N 2.96Å; M71-I74 HydrophobicContact SD-CD1 3.37Å; M71-I74 WeakPolarHBondContact SD-CD1 3.44Å; M71-I74 HydrophobicContact SD-CG1 4.33Å; I74-T76 PolarHBondContact O-N 3.38Å
75S39.7Very low54.1Low51 Ų5166.9 Ų66.936%0.35735%0.348SS..  trans-61.178.3174.330.90000110N73 P77 R237N73-S75 PolarHBondContact O-N 3.03Å; S75-P77 WeakPolarHBondContact O-CD 3.39Å; S75-R237 PolarHBondContact OG-NH1 3.39Å
76T44.4Very low51.9Low23 Ų2373.2 Ų73.214%0.14138%0.382CS..PPolyproline II helixtrans-52.5119.9162.451.80000105.2I74 R78 L234 S256I74-T76 PolarHBondContact O-N 3.38Å; T76-R78 PolarHBondContact O-N 2.86Å; T76-R78 VanDerWaalsContact O-N 3.13Å; T76-L234 HydrophobicContact CG2-CD2 4.34Å; T76-S256 WeakPolarHBondContact OG1-CB 3.29Å
77P42.7Very low49.9Very low15 Ų1573.8 Ų73.810%0.09739%0.388CS..PPolyproline II helixtrans-64.5126.1-169.87.4-4.3000107.9S75 Y231 R233S75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-Y231 HydrophobicContact CB-CD1 4.27Å; P77-Y231 HydrophobicContact CB-CE1 3.53Å; P77-Y231 HydrophobicContact CG-CD1 3.82Å; P77-Y231 HydrophobicContact CG-CE1 3.6Å; P77-R233 HydrophobicContact CB-CB 3.48Å; P77-R233 VanDerWaalsContact CB-CB 3.48Å; P77-R233 HydrophobicContact CB-CG 4.35Å; P77-R233 HydrophobicContact CG-CB 3.14Å; P77-R233 HydrophobicContact CG-CG 4.43Å; P77-R233 WeakPolarHBondContact CG-O 3.3Å
78R44.1Very low48.1Very low128 Ų12880.4 Ų80.448%0.48343%0.429SS..BIsolated β-bridgetrans-51.7144.5178-155.8179.6-173.8168.62.6109.1T76 A80 E262T76-R78 PolarHBondContact O-N 2.86Å; T76-R78 VanDerWaalsContact O-N 3.13Å; R78-A80 PolarHBondContact O-N 3.39Å; R78-E262 IonicContact NE-OE1 2.6Å; R78-E262 IonicContact NH2-OE1 2.62Å; R78-E262 PolarHBondContact NH2-OE1 3.06Å
79V48.6Very low47.1Very low7 Ų780.4 Ų80.44%0.04244%0.437CS..PPolyproline II helixtrans-49.8131.2158.8-168.60000106.3S81 E83 V84 Y255 L257V79-S81 PolarHBondContact O-N 3.35Å; V79-E83 HydrophobicContact CG1-CB 4.34Å; V79-V84 HydrophobicContact CB-CG2 4.07Å; V79-V84 HydrophobicContact CG1-CG2 3.61Å; V79-V84 HydrophobicContact CG2-CG2 4.46Å; V79-Y255 HydrophobicContact CG2-CD1 4.19Å; V79-Y255 HydrophobicContact CG2-CD2 3.24Å; V79-Y255 HydrophobicContact CG2-CE2 4.1Å; V79-Y255 HydrophobicContact CG2-CG 3.32Å; V79-L257 HydrophobicContact CG2-CD2 4.25Å
80A43.7Very low48.1Very low42 Ų4284.3 Ų84.335%0.34746%0.46SS..PPolyproline II helixtrans-57.4119.1169.800000105.9R78 A82 E83R78-A80 PolarHBondContact O-N 3.39Å; A80-A82 PolarHBondContact O-N 3.5Å; A80-E83 PolarHBondContact O-N 3.43Å
81S41.1Very low50Low83 Ų8374.2 Ų74.258%0.5842%0.424SS*.Hα-helixtrans-44.8-32.4-175.344.50000112.6V79 E83 V84 S85V79-S81 PolarHBondContact O-N 3.35Å; S81-E83 VanDerWaalsContact C-N 3.31Å; S81-E83 PolarHBondContact O-N 2.88Å; S81-V84 PolarHBondContact O-N 3.34Å; S81-S85 WeakPolarHBondContact O-CB 3.29Å; S81-S85 PolarHBondContact O-N 3.46Å; S81-S85 PolarHBondContact O-OG 3.11Å
82A39.9Very low52.6Low63 Ų6372.3 Ų72.352%0.52142%0.418SS..Hα-helixtrans-54.6-30.1177.600000116.2A80A80-A82 PolarHBondContact O-N 3.5Å
83E47.8Very low55.1Low82 Ų8273.5 Ų73.538%0.38344%0.436SS..Hα-helixtrans-86.2-23.5-179.7-74.9179.6-168.300113.1V79 A80 S81V79-E83 HydrophobicContact CG1-CB 4.34Å; A80-E83 PolarHBondContact O-N 3.43Å; S81-E83 VanDerWaalsContact C-N 3.31Å; S81-E83 PolarHBondContact O-N 2.88Å
84V50Low58Low14 Ų1470.6 Ų70.69%0.08542%0.417CS..Hα-helixtrans-91.4-30.6178.4-169.90000110.9V79 S81 E262 R265V79-V84 HydrophobicContact CB-CG2 4.07Å; V79-V84 HydrophobicContact CG1-CG2 3.61Å; V79-V84 HydrophobicContact CG2-CG2 4.46Å; S81-V84 PolarHBondContact O-N 3.34Å; V84-E262 HydrophobicContact CG1-CB 4.3Å; V84-E262 HydrophobicContact CG1-CG 3.93Å; V84-R265 HydrophobicContact CG1-CB 4.33Å; V84-R265 HydrophobicContact CG1-CG 4.46Å; V84-R265 WeakPolarHBondContact O-CD 3.21Å; V84-R265 VanDerWaalsContact O-CZ 3.32Å; V84-R265 PolarHBondContact O-NE 3.38Å; V84-R265 PolarHBondContact O-NH1 3.1Å
85S47.1Very low60.8Low76 Ų7668.2 Ų68.253%0.53140%0.404SS..Hα-helixtrans-80.9-17.5-176.364.50000115.1S81 G87S81-S85 WeakPolarHBondContact O-CB 3.29Å; S81-S85 PolarHBondContact O-N 3.46Å; S81-S85 PolarHBondContact O-OG 3.11Å; S85-G87 PolarHBondContact O-N 3.34Å
86N49Very low63.6Low151 Ų15166.8 Ų66.881%0.80739%0.392SS*.SBendtrans-82.421.2-167.7-125.517000115.8
87G53.7Low66.2Low16 Ų1665.7 Ų65.717%0.16539%0.385CS..  trans-132.7106.3174.900000110.3S85 S89S85-G87 PolarHBondContact O-N 3.34Å; G87-S89 PolarHBondContact O-N 3.47Å
88T54Low68.9Low153 Ų15367.3 Ų67.394%0.93939%0.39SS*.  trans-725.2170.547.30000113.2E90T88-E90 PolarHBondContact O-N 3.46Å
89S66.5Low71.4Confident63 Ų6368.5 Ų68.544%0.44140%0.398SS..PPolyproline II helixtrans-66.1119.7176.457.80000109.9G87 L91G87-S89 PolarHBondContact O-N 3.47Å; S89-L91 PolarHBondContact O-N 2.71Å
90E85.6Confident73.8Confident184 Ų18473 Ų7386%0.8642%0.419SS*.PPolyproline II helixtrans-57.1129.5171.9-167.6171.5-170.500109.7T88T88-E90 PolarHBondContact O-N 3.46Å
91L92.9Very high76.4Confident32 Ų3271.9 Ų71.917%0.16841%0.405CS..PPolyproline II helixtrans-79.7140.9176.3-69.2167.6000108.7S89 M264 R265 Y268S89-L91 PolarHBondContact O-N 2.71Å; L91-M264 HydrophobicContact CB-CE 4.32Å; L91-M264 HydrophobicContact CD1-CB 3.69Å; L91-M264 HydrophobicContact CD1-CE 4.34Å; L91-M264 HydrophobicContact CD1-SD 4.45Å; L91-R265 HydrophobicContact CD1-CB 4.26Å; L91-R265 HydrophobicContact CD2-CB 4.48Å; L91-Y268 HydrophobicContact CD2-CD1 4.04Å; L91-Y268 HydrophobicContact CD2-CD2 4.35Å; L91-Y268 HydrophobicContact CD2-CG 3.82Å
92P95.9Very high79.1Confident46 Ų4671.8 Ų71.830%0.29941%0.405SS..PPolyproline II helixtrans-64.8150.4179.329.9-37000111E94 F95 Y268 W310P92-E94 WeakPolarHBondContact CB-O 3.5Å; P92-E94 WeakPolarHBondContact CG-O 3.35Å; P92-E94 PolarHBondContact O-N 3.02Å; P92-F95 HydrophobicContact CG-CB 4.35Å; P92-F95 HydrophobicContact CG-CD2 4.32Å; P92-Y268 HydrophobicContact CG-CD2 4.27Å; P92-Y268 HydrophobicContact CG-CE2 3.89Å; P92-W310 HydrophobicContact CG-CZ2 4.16Å; P92-W310 PolarHBondContact O-NE1 2.89Å
93A94.7Very high81.9Confident80 Ų8073 Ų7366%0.66140%0.397SS*.SBendtrans-61.3-29.3176.700000112.6
94E97.4Very high84.3Confident109 Ų10969.3 Ų69.351%0.50938%0.38SS..  trans-132.2144175.4-52.5-163.6147.300111.2P92 W310P92-E94 WeakPolarHBondContact CB-O 3.5Å; P92-E94 WeakPolarHBondContact CG-O 3.35Å; P92-E94 PolarHBondContact O-N 3.02Å; E94-W310 WeakPolarHBondContact CA-O 3.26Å
95F98.5Very high86.5Confident15 Ų1576 Ų767%0.06641%0.408CS..EExtended strand (participates in β ladder)trans-148.4136.8178.4-176.7-92.6000110.4P92 A97 Q100 W101 I267 Y268 G309 W310P92-F95 HydrophobicContact CG-CB 4.35Å; P92-F95 HydrophobicContact CG-CD2 4.32Å; F95-A97 HydrophobicContact CE1-CB 4.16Å; F95-Q100 HydrophobicContact CE2-CB 3.79Å; F95-Q100 HydrophobicContact CE2-CG 3.75Å; F95-Q100 HydrophobicContact CZ-CB 3.71Å; F95-Q100 HydrophobicContact CZ-CG 3.78Å; F95-W101 HydrophobicContact CE1-CH2 4.19Å; F95-W101 AromaticContact CE1-CZ3 3.83Å; F95-W101 HydrophobicContact CE1-CZ3 3.83Å; F95-W101 HydrophobicContact CZ-CE3 4.37Å; F95-W101 AromaticContact CZ-CH2 3.52Å; F95-W101 HydrophobicContact CZ-CH2 3.52Å; F95-W101 HydrophobicContact CZ-CZ2 4.47Å; F95-W101 AromaticContact CZ-CZ3 3.46Å; F95-W101 HydrophobicContact CZ-CZ3 3.46Å; F95-W101 VanDerWaalsContact CZ-CZ3 3.46Å; F95-I267 HydrophobicContact CD1-CG2 3.93Å; F95-I267 HydrophobicContact CE1-CG2 3.65Å; F95-Y268 AromaticContact CD2-CD2 3.59Å; F95-Y268 HydrophobicContact CD2-CD2 3.59Å; F95-Y268 AromaticContact CD2-CE2 3.96Å; F95-Y268 HydrophobicContact CD2-CE2 3.96Å; F95-Y268 AromaticContact CE2-CD2 3.52Å; F95-Y268 HydrophobicContact CE2-CD2 3.52Å; F95-Y268 AromaticContact CE2-CE2 3.91Å; F95-Y268 HydrophobicContact CE2-CE2 3.91Å; F95-Y268 HydrophobicContact CG-CD2 4.48Å; F95-Y268 HydrophobicContact CZ-CD2 4.38Å; F95-G309 CarbonylContact O-C 3.51Å; F95-G309 WeakPolarHBondContact O-CA 3.29Å; F95-W310 HydrophobicContact CB-CD2 3.68Å; F95-W310 HydrophobicContact CB-CE3 3.83Å; F95-W310 HydrophobicContact CB-CG 4.43Å; F95-W310 HydrophobicContact CB-CH2 3.47Å; F95-W310 VanDerWaalsContact CB-CH2 3.47Å; F95-W310 HydrophobicContact CB-CZ2 3.33Å; F95-W310 HydrophobicContact CB-CZ3 3.72Å; F95-W310 HydrophobicContact CD1-CE3 4.13Å; F95-W310 AromaticContact CD1-CH2 3.84Å; F95-W310 HydrophobicContact CD1-CH2 3.84Å; F95-W310 AromaticContact CD1-CZ3 3.58Å; F95-W310 HydrophobicContact CD1-CZ3 3.58Å; F95-W310 HydrophobicContact CD2-CH2 4.14Å; F95-W310 HydrophobicContact CD2-CZ2 4.46Å; F95-W310 HydrophobicContact CE1-CZ3 4.41Å; F95-W310 HydrophobicContact CG-CE3 4.29Å; F95-W310 AromaticContact CG-CH2 3.54Å; F95-W310 HydrophobicContact CG-CH2 3.54Å; F95-W310 AromaticContact CG-CZ2 3.9Å; F95-W310 HydrophobicContact CG-CZ2 3.9Å; F95-W310 AromaticContact CG-CZ3 3.75Å; F95-W310 HydrophobicContact CG-CZ3 3.75Å; F95-W310 PolarHBondContact N-O 3.29Å; F95-W310 PolarHBondContact O-N 3.44Å; F95-W310 VanDerWaalsContact O-O 3.08Å
96D98.6Very high88.9Confident20 Ų2073.4 Ų73.411%0.10739%0.388CS..EExtended strand (participates in β ladder)trans-137.6112.2175.5-176.5-20000108.9R98 K99 Q100 L319D96-R98 PolarHBondContact O-N 3.01Å; D96-R98 VanDerWaalsContact O-N 3.08Å; D96-R98 VanDerWaalsContact OD1-CB 3.22Å; D96-R98 WeakPolarHBondContact OD1-CB 3.47Å; D96-R98 WeakPolarHBondContact OD1-CG 3.23Å; D96-R98 IonicContact OD1-CZ 3.7Å; D96-R98 PolarHBondContact OD1-N 3.1Å; D96-R98 IonicContact OD1-NE 3.81Å; D96-R98 PolarHBondContact OD1-NE 3.07Å; D96-R98 IonicContact OD1-NH2 3.79Å; D96-R98 IonicContact OD2-CZ 3.66Å; D96-R98 IonicContact OD2-NE 2.69Å; D96-R98 PolarHBondContact OD2-NE 3.01Å; D96-R98 IonicContact OD2-NH2 3.33Å; D96-R98 PolarHBondContact OD2-NH2 3.07Å; D96-K99 HydrophobicContact CB-CB 4.34Å; D96-K99 HydrophobicContact CB-CD 4.08Å; D96-K99 HydrophobicContact CB-CG 4.05Å; D96-K99 WeakPolarHBondContact O-CB 2.92Å; D96-K99 PolarHBondContact O-N 2.89Å; D96-Q100 PolarHBondContact O-N 3.16Å; D96-L319 HydrophobicContact CB-CD2 4.44Å
97A98.7Very high91.3Very high0 Ų066.3 Ų66.30%035%0.35CS..Hα-helixtrans-55.6-28.8-178.800000112.9F95 K99 W101 I107 P272 I308F95-A97 HydrophobicContact CE1-CB 4.16Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 3.45Å; A97-W101 HydrophobicContact CB-CE3 3.74Å; A97-W101 HydrophobicContact CB-CZ3 3.72Å; A97-W101 PolarHBondContact O-N 3.3Å; A97-I107 HydrophobicContact CB-CD1 4.48Å; A97-I107 HydrophobicContact CB-CG2 3.9Å; A97-P272 HydrophobicContact CB-CG 4Å; A97-I308 HydrophobicContact CB-CB 4.34Å; A97-I308 WeakPolarHBondContact CB-O 3.23Å; A97-I308 PolarHBondContact N-O 2.92Å
98R98.6Very high93.4Very high50 Ų5072.1 Ų72.119%0.18937%0.367CS..Hα-helixtrans-70.8-26.2178.8-55.3169-61.6173.4-0.4112.5D96 I107 R108 I308D96-R98 PolarHBondContact O-N 3.01Å; D96-R98 VanDerWaalsContact O-N 3.08Å; D96-R98 VanDerWaalsContact OD1-CB 3.22Å; D96-R98 WeakPolarHBondContact OD1-CB 3.47Å; D96-R98 WeakPolarHBondContact OD1-CG 3.23Å; D96-R98 IonicContact OD1-CZ 3.7Å; D96-R98 PolarHBondContact OD1-N 3.1Å; D96-R98 IonicContact OD1-NE 3.81Å; D96-R98 PolarHBondContact OD1-NE 3.07Å; D96-R98 IonicContact OD1-NH2 3.79Å; D96-R98 IonicContact OD2-CZ 3.66Å; D96-R98 IonicContact OD2-NE 2.69Å; D96-R98 PolarHBondContact OD2-NE 3.01Å; D96-R98 IonicContact OD2-NH2 3.33Å; D96-R98 PolarHBondContact OD2-NH2 3.07Å; R98-I107 HydrophobicContact CB-CG2 4.43Å; R98-I107 HydrophobicContact CG-CB 4.33Å; R98-I107 HydrophobicContact CG-CG2 3.62Å; R98-R108 HydrophobicContact CB-CG 3.96Å; R98-R108 HydrophobicContact CG-CG 3.87Å; R98-R108 PolarHBondContact O-NH2 2.95Å; R98-I308 HydrophobicContact CG-CD1 4.24Å
99K98.3Very high95.5Very high153 Ų15369.1 Ų69.167%0.66534%0.339SS*.Hα-helixtrans-85.6-46.8174.5-62.2-177.8-174.71760109.9D96 A97 W101D96-K99 HydrophobicContact CB-CB 4.34Å; D96-K99 HydrophobicContact CB-CD 4.08Å; D96-K99 HydrophobicContact CB-CG 4.05Å; D96-K99 WeakPolarHBondContact O-CB 2.92Å; D96-K99 PolarHBondContact O-N 2.89Å; A97-K99 VanDerWaalsContact C-N 3.28Å; A97-K99 PolarHBondContact O-N 3.45Å; K99-W101 PolarHBondContact O-N 3.15Å
100Q98.2Very high97Very high100 Ų10066.8 Ų66.847%0.46732%0.321SS..Hα-helixtrans-61.1-44.6-178.3-178.862.518.500112.8F95 D96F95-Q100 HydrophobicContact CE2-CB 3.79Å; F95-Q100 HydrophobicContact CE2-CG 3.75Å; F95-Q100 HydrophobicContact CZ-CB 3.71Å; F95-Q100 HydrophobicContact CZ-CG 3.78Å; D96-Q100 PolarHBondContact O-N 3.16Å
101W98.4Very high97.6Very high19 Ų1958.5 Ų58.57%0.07228%0.282CS..THydrogen-bonded Turntrans-117.457.3-179.7-58.8-70000110.4F95 A97 K99 Y103 C104 I107 I134 I267 Y268F95-W101 HydrophobicContact CE1-CH2 4.19Å; F95-W101 AromaticContact CE1-CZ3 3.83Å; F95-W101 HydrophobicContact CE1-CZ3 3.83Å; F95-W101 HydrophobicContact CZ-CE3 4.37Å; F95-W101 AromaticContact CZ-CH2 3.52Å; F95-W101 HydrophobicContact CZ-CH2 3.52Å; F95-W101 HydrophobicContact CZ-CZ2 4.47Å; F95-W101 AromaticContact CZ-CZ3 3.46Å; F95-W101 HydrophobicContact CZ-CZ3 3.46Å; F95-W101 VanDerWaalsContact CZ-CZ3 3.46Å; A97-W101 HydrophobicContact CB-CE3 3.74Å; A97-W101 HydrophobicContact CB-CZ3 3.72Å; A97-W101 PolarHBondContact O-N 3.3Å; K99-W101 PolarHBondContact O-N 3.15Å; W101-Y103 AromaticContact CD1-CZ 3.7Å; W101-Y103 VanDerWaalsContact CD1-OH 3.27Å; W101-Y103 PolarHBondContact O-N 2.93Å; W101-Y103 VanDerWaalsContact O-N 3.07Å; W101-C104 HydrophobicContact CB-CB 4.29Å; W101-C104 WeakPolarHBondContact O-CB 3.16Å; W101-C104 PolarHBondContact O-N 2.78Å; W101-I107 HydrophobicContact CB-CD1 3.77Å; W101-I107 HydrophobicContact CE3-CD1 4.35Å; W101-I134 HydrophobicContact CB-CG1 4.06Å; W101-I134 HydrophobicContact CD2-CD1 3.62Å; W101-I134 HydrophobicContact CD2-CG1 3.69Å; W101-I134 HydrophobicContact CD2-CG2 4.16Å; W101-I134 HydrophobicContact CE3-CD1 3.5Å; W101-I134 HydrophobicContact CE3-CG1 4.11Å; W101-I134 HydrophobicContact CG-CD1 4.1Å; W101-I134 HydrophobicContact CG-CG1 3.67Å; W101-I134 HydrophobicContact CG-CG2 4.41Å; W101-I134 HydrophobicContact CH2-CD1 4.45Å; W101-I134 HydrophobicContact CZ2-CG2 4.03Å; W101-I134 HydrophobicContact CZ3-CD1 3.95Å; W101-I267 WeakPolarHBondContact CH2-O 3.11Å; W101-Y268 WeakPolarHBondContact CH2-O 3.38Å; W101-Y268 WeakPolarHBondContact CZ2-O 3.25Å
102S97.9Very high97.7Very high81 Ų8158.6 Ų58.657%0.56628%0.283SS*.THydrogen-bonded Turntrans-55.9-25.8-17960.30000113.8C104S102-C104 VanDerWaalsContact C-N 3.28Å; S102-C104 PolarHBondContact O-N 2.89Å
103Y97.9Very high97.8Very high90 Ų9056.4 Ų56.435%0.35327%0.269SS..THydrogen-bonded Turntrans-70.5-19.3174.758-102.4000113.9W101 K105 K137 G138 Q141W101-Y103 AromaticContact CD1-CZ 3.7Å; W101-Y103 VanDerWaalsContact CD1-OH 3.27Å; W101-Y103 PolarHBondContact O-N 2.93Å; W101-Y103 VanDerWaalsContact O-N 3.07Å; Y103-K105 PolarHBondContact O-N 3.26Å; Y103-K137 VanDerWaalsContact CE2-C 3.46Å; Y103-G138 VanDerWaalsContact CD2-CA 3.5Å; Y103-G138 VanDerWaalsContact CE2-N 3.29Å; Y103-Q141 VanDerWaalsContact O-CD 3.3Å; Y103-Q141 PolarHBondContact O-NE2 2.95Å; Y103-Q141 PolarHBondContact O-OE1 3.05Å; Y103-Q141 VanDerWaalsContact O-OE1 3.14Å
104C98.5Very high97.9Very high3 Ų352.6 Ų52.62%0.0224%0.237CC..  trans-91.190.4176.7-69.60000111W101 S102 N106 I107 C133W101-C104 HydrophobicContact CB-CB 4.29Å; W101-C104 WeakPolarHBondContact O-CB 3.16Å; W101-C104 PolarHBondContact O-N 2.78Å; S102-C104 VanDerWaalsContact C-N 3.28Å; S102-C104 PolarHBondContact O-N 2.89Å; C104-N106 VanDerWaalsContact C-N 3.28Å; C104-N106 PolarHBondContact O-N 2.69Å; C104-I107 HydrophobicContact CB-CD1 3.6Å; C104-I107 HydrophobicContact CB-CG1 3.85Å; C104-I107 WeakPolarHBondContact O-CG1 3.31Å; C104-I107 PolarHBondContact O-N 3.2Å; C104-C133 WeakPolarHBondContact CA-SG 3.36Å; C104-C133 HydrophobicContact CB-CB 3.84Å; C104-C133 WeakPolarHBondContact CB-SG 3.48Å; C104-C133 WeakPolarHBondContact SG-CB 3.38Å; C104-C133 CovalentContact SG-SG 2.03Å; C104-C133 PolarHBondContact SG-SG 2.87Å
105K97.1Very high97.8Very high155 Ų15548.1 Ų48.167%0.67422%0.217SC*.G310 helixtrans-62.4-34.1-170.2-62.9-178.1-179.3-1800113.3Y103 I107 R108Y103-K105 PolarHBondContact O-N 3.26Å; K105-I107 PolarHBondContact O-N 3.19Å; K105-R108 PolarHBondContact O-N 3.07Å
106N97.3Very high97.7Very high21 Ų2147.4 Ų47.411%0.11221%0.214CC..G310 helixtrans-66-20.5-176.3-63.6-21.8000113.4C104 R108 Y109 Q141 P142C104-N106 VanDerWaalsContact C-N 3.28Å; C104-N106 PolarHBondContact O-N 2.69Å; N106-R108 PolarHBondContact O-N 2.86Å; N106-R108 VanDerWaalsContact O-N 3.16Å; N106-Y109 WeakPolarHBondContact O-CB 3.17Å; N106-Y109 PolarHBondContact O-N 2.9Å; N106-Q141 PolarHBondContact ND2-O 2.84Å; N106-P142 PolarHBondContact ND2-O 3.14Å
107I98.5Very high97.6Very high2 Ų246.5 Ų46.51%0.0121%0.209CC..G310 helixtrans-59-35.1179-56.3176.8000110.4A97 R98 W101 C104 K105 Y109 D130 I134 P272 R306A97-I107 HydrophobicContact CB-CD1 4.48Å; A97-I107 HydrophobicContact CB-CG2 3.9Å; R98-I107 HydrophobicContact CB-CG2 4.43Å; R98-I107 HydrophobicContact CG-CB 4.33Å; R98-I107 HydrophobicContact CG-CG2 3.62Å; W101-I107 HydrophobicContact CB-CD1 3.77Å; W101-I107 HydrophobicContact CE3-CD1 4.35Å; C104-I107 HydrophobicContact CB-CD1 3.6Å; C104-I107 HydrophobicContact CB-CG1 3.85Å; C104-I107 WeakPolarHBondContact O-CG1 3.31Å; C104-I107 PolarHBondContact O-N 3.2Å; K105-I107 PolarHBondContact O-N 3.19Å; I107-Y109 VanDerWaalsContact C-N 3.34Å; I107-D130 WeakPolarHBondContact CA-OD1 3.29Å; I107-D130 HydrophobicContact CG1-CB 4.04Å; I107-D130 WeakPolarHBondContact CG1-OD1 3.17Å; I107-D130 PolarHBondContact N-OD1 2.86Å; I107-I134 HydrophobicContact CD1-CD1 4.06Å; I107-I134 HydrophobicContact CD1-CG1 4.36Å; I107-P272 HydrophobicContact CG2-CG 4.39Å; I107-R306 PolarHBondContact O-NH1 3.27Å; I107-R306 PolarHBondContact O-NH2 2.88Å; I107-R306 VanDerWaalsContact O-NH2 3.15Å
108R98.1Very high97.6Very high138 Ų13846.5 Ų46.552%0.52121%0.209SC..G310 helixtrans-76.6-18.5-179.8-64.5177.6176.8-87.8-6.9113.9R98 K105 N106R98-R108 HydrophobicContact CB-CG 3.96Å; R98-R108 HydrophobicContact CG-CG 3.87Å; R98-R108 PolarHBondContact O-NH2 2.95Å; K105-R108 PolarHBondContact O-N 3.07Å; N106-R108 PolarHBondContact O-N 2.86Å; N106-R108 VanDerWaalsContact O-N 3.16Å
109Y98.1Very high97.6Very high91 Ų9144.1 Ų44.136%0.35720%0.2SC..PPolyproline II helixtrans-72.8130.1-173.2-169-83.5000111N106 I107 K111 F143 P182 R306N106-Y109 WeakPolarHBondContact O-CB 3.17Å; N106-Y109 PolarHBondContact O-N 2.9Å; I107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-K111 HydrophobicContact CD1-CG 3.87Å; Y109-K111 HydrophobicContact CE1-CG 3.96Å; Y109-F143 AromaticContact CD1-CE2 3.6Å; Y109-F143 HydrophobicContact CD1-CE2 3.6Å; Y109-F143 AromaticContact CD1-CZ 3.74Å; Y109-F143 HydrophobicContact CD1-CZ 3.74Å; Y109-F143 HydrophobicContact CD2-CE2 4.16Å; Y109-F143 AromaticContact CE1-CE2 3.93Å; Y109-F143 HydrophobicContact CE1-CE2 3.93Å; Y109-F143 AromaticContact CE1-CZ 3.72Å; Y109-F143 HydrophobicContact CE1-CZ 3.72Å; Y109-F143 HydrophobicContact CE2-CE2 4.43Å; Y109-F143 AromaticContact CG-CE2 3.76Å; Y109-F143 HydrophobicContact CG-CE2 3.76Å; Y109-F143 HydrophobicContact CG-CZ 4.36Å; Y109-P182 HydrophobicContact CE1-CG 4.02Å; Y109-P182 HydrophobicContact CE2-CG 4.22Å; Y109-P182 VanDerWaalsContact CZ-CG 3.48Å; Y109-P182 WeakPolarHBondContact OH-CG 3.02Å; Y109-R306 PolarHBondContact O-NH2 3.3Å
110I98.1Very high97.5Very high14 Ų1436.9 Ų36.97%0.07217%0.169CC..PPolyproline II helixtrans-98120.1172.4-58.3-55.9000109A321 E326 L333I110-A321 HydrophobicContact CD1-CB 3.77Å; I110-E326 HydrophobicContact CB-CG 3.86Å; I110-E326 HydrophobicContact CG1-CG 4.06Å; I110-E326 HydrophobicContact CG2-CG 4.41Å; I110-L333 HydrophobicContact CD1-CD2 4.04Å; I110-L333 HydrophobicContact CD1-CG 4.41Å
111K97.2Very high97.5Very high9 Ų932.1 Ų32.14%0.03915%0.146CC..PPolyproline II helixtrans-83.6161.7177-63.7-162.4-177.1-167.80111Y109 V122 S126 F143 L144 E146 S323 S325Y109-K111 HydrophobicContact CD1-CG 3.87Å; Y109-K111 HydrophobicContact CE1-CG 3.96Å; K111-V122 HydrophobicContact CB-CG1 3.47Å; K111-V122 VanDerWaalsContact CB-CG1 3.47Å; K111-V122 HydrophobicContact CD-CG1 3.85Å; K111-V122 HydrophobicContact CG-CG1 4.24Å; K111-S126 WeakPolarHBondContact CD-OG 3.34Å; K111-S126 WeakPolarHBondContact CE-OG 3.06Å; K111-F143 HydrophobicContact CD-CE1 4.33Å; K111-F143 HydrophobicContact CD-CZ 4.19Å; K111-F143 VanDerWaalsContact CE-CE1 3.42Å; K111-F143 VanDerWaalsContact CE-CZ 3.44Å; K111-F143 HydrophobicContact CG-CZ 4.23Å; K111-L144 PolarHBondContact NZ-O 3.37Å; K111-E146 IonicContact NZ-OE1 3.56Å; K111-E146 IonicContact NZ-OE2 3.66Å; K111-E146 PolarHBondContact NZ-OE2 2.83Å; K111-S323 CarbonylContact O-C 3.52Å; K111-S323 VanDerWaalsContact O-CA 3.24Å; K111-S323 WeakPolarHBondContact O-CA 3.04Å; K111-S325 PolarHBondContact O-N 2.84Å
112D96.7Very high97.5Very high34 Ų3431.2 Ų31.218%0.18214%0.143CC..BIsolated β-bridgetrans-126.5119.7176.2-171.8-20.5000108.6Y52 S114 S323Y52-D112 PolarHBondContact OH-OD1 2.84Å; Y52-D112 VanDerWaalsContact OH-OD1 3.05Å; D112-S114 VanDerWaalsContact C-N 3.28Å; D112-S114 WeakPolarHBondContact OD1-CA 3.43Å; D112-S114 PolarHBondContact OD1-N 3.48Å; D112-S323 WeakPolarHBondContact CA-O 3.41Å
113Q97.2Very high97.5Very high0 Ų027.6 Ų27.60%012%0.118CC..  trans-83.4-2.7177.975.4-177.178.300113.4L64 C116 V122 Y192 H303 S323L64-Q113 HydrophobicContact CD2-CG 4.13Å; L64-Q113 PolarHBondContact O-NE2 3.23Å; Q113-C116 PolarHBondContact NE2-O 3.21Å; Q113-C116 WeakPolarHBondContact O-CB 3.47Å; Q113-C116 PolarHBondContact O-N 3.15Å; Q113-V122 HydrophobicContact CB-CG2 3.94Å; Q113-Y192 PolarHBondContact O-OH 3.22Å; Q113-Y192 VanDerWaalsContact O-OH 3.08Å; Q113-H303 PolarHBondContact OE1-CE1 3.14Å; Q113-S323 WeakPolarHBondContact CG-O 3.2Å; Q113-S323 PolarHBondContact N-O 2.02Å; Q113-S323 PolarHBondContact OE1-OG 3.43Å
114S96Very high97.5Very high0 Ų023.3 Ų23.30%010%0.101CC..THydrogen-bonded Turntrans52.6-147.5-177.1-167.30000113.3L64 D112 C116 K195 P196 C197L64-S114 WeakPolarHBondContact CD2-O 3.3Å; D112-S114 VanDerWaalsContact C-N 3.28Å; D112-S114 WeakPolarHBondContact OD1-CA 3.43Å; D112-S114 PolarHBondContact OD1-N 3.48Å; S114-C116 PolarHBondContact O-N 3.11Å; S114-C116 VanDerWaalsContact O-N 3.15Å; S114-K195 PolarHBondContact OG-O 2.7Å; S114-P196 VanDerWaalsContact OG-CA 3.28Å; S114-P196 WeakPolarHBondContact OG-CA 3.43Å; S114-C197 PolarHBondContact OG-N 3.32Å
115N95.3Very high97.5Very high16 Ų1623.1 Ų23.19%0.08610%0.1CC..THydrogen-bonded Turntrans-80.639.5172.460-27000113.4R63 C197 C200 N202 A204R63-N115 VanDerWaalsContact CD-O 3.22Å; R63-N115 WeakPolarHBondContact CD-O 3.42Å; R63-N115 PolarHBondContact NE-O 3.33Å; N115-C197 VanDerWaalsContact CB-O 3.3Å; N115-C197 WeakPolarHBondContact CB-O 3.21Å; N115-C200 HydrophobicContact CB-CB 4.15Å; N115-N202 PolarHBondContact ND2-O 3.41Å; N115-A204 PolarHBondContact ND2-N 3.41Å; N115-A204 PolarHBondContact O-N 3Å
116C97.4Very high97.6Very high0 Ų016.2 Ų16.20%07%0.071CC..SBendtrans-127.2135.8179.4174.50000110Q113 S114 S118 C160 I194 A204Q113-C116 PolarHBondContact NE2-O 3.21Å; Q113-C116 WeakPolarHBondContact O-CB 3.47Å; Q113-C116 PolarHBondContact O-N 3.15Å; S114-C116 PolarHBondContact O-N 3.11Å; S114-C116 VanDerWaalsContact O-N 3.15Å; C116-S118 PolarHBondContact O-N 3.3Å; C116-S118 WeakPolarHBondContact SG-CB 3.15Å; C116-S118 PolarHBondContact SG-OG 2.97Å; C116-C160 HydrophobicContact CB-CB 3.93Å; C116-C160 WeakPolarHBondContact CB-SG 3.08Å; C116-C160 WeakPolarHBondContact SG-CA 3.34Å; C116-C160 WeakPolarHBondContact SG-CB 3.36Å; C116-C160 CovalentContact SG-SG 2.03Å; C116-C160 PolarHBondContact SG-SG 2.98Å; C116-I194 HydrophobicContact CB-CD1 3.61Å; C116-A204 HydrophobicContact CB-CB 4.3Å
117G97.3Very high97.7Very high1 Ų115.2 Ų15.21%0.017%0.065CC..SBendtrans-72.946.9173.900000113R63 G66 W120 C160 G162R63-G117 WeakPolarHBondContact O-CA 3.38Å; G66-G117 WeakPolarHBondContact CA-O 3.36Å; G117-W120 VanDerWaalsContact O-CD1 3.27Å; G117-W120 PolarHBondContact O-NE1 2.85Å; G117-C160 VanDerWaalsContact CA-O 3.27Å; G117-C160 WeakPolarHBondContact CA-O 3.24Å; G117-C160 PolarHBondContact N-O 2.87Å; G117-G162 WeakPolarHBondContact O-CA 3.18Å
118S98.1Very high97.6Very high0 Ų015.1 Ų15.10%07%0.065CC..  trans-100.912.1-173.557.80000114.1C116 W120 A121 V122 Y192C116-S118 PolarHBondContact O-N 3.3Å; C116-S118 WeakPolarHBondContact SG-CB 3.15Å; C116-S118 PolarHBondContact SG-OG 2.97Å; S118-W120 PolarHBondContact O-N 2.92Å; S118-A121 WeakPolarHBondContact O-CA 3.36Å; S118-A121 WeakPolarHBondContact O-CB 3.48Å; S118-A121 PolarHBondContact O-N 2.91Å; S118-V122 WeakPolarHBondContact O-CG2 3.13Å; S118-V122 PolarHBondContact O-N 2.79Å; S118-Y192 PolarHBondContact OG-OH 3.48Å
119C98Very high97.7Very high0 Ų08.6 Ų8.60%04%0.041CC..Hα-helixtrans-49-37.9178.662.10000113.5G66 A121 V122 S123 H303 A304G66-C119 WeakPolarHBondContact CA-SG 3.31Å; G66-C119 PolarHBondContact N-SG 2.87Å; C119-A121 VanDerWaalsContact C-N 3.29Å; C119-A121 PolarHBondContact O-N 3.28Å; C119-V122 PolarHBondContact O-N 3.4Å; C119-S123 VanDerWaalsContact O-CB 3.27Å; C119-S123 WeakPolarHBondContact O-CB 3.31Å; C119-S123 PolarHBondContact O-N 3.26Å; C119-S123 PolarHBondContact O-OG 3.06Å; C119-H303 WeakPolarHBondContact CB-CE1 3.35Å; C119-H303 WeakPolarHBondContact CB-ND1 3.29Å; C119-H303 PolarHBondContact SG-ND1 3.44Å; C119-A304 HydrophobicContact CB-CB 4.47Å
120W97.1Very high97.7Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-61.2-34.6177.165.3-91.1000112.8G117 S118 A124 L149 C156 G159 P165 A168G117-W120 VanDerWaalsContact O-CD1 3.27Å; G117-W120 PolarHBondContact O-NE1 2.85Å; S118-W120 PolarHBondContact O-N 2.92Å; W120-A124 WeakPolarHBondContact O-CB 3.46Å; W120-L149 HydrophobicContact CH2-CB 4.49Å; W120-L149 WeakPolarHBondContact CH2-O 3.3Å; W120-L149 HydrophobicContact CZ3-CB 4.33Å; W120-C156 HydrophobicContact CE3-CB 4.07Å; W120-C156 HydrophobicContact CH2-CB 3.34Å; W120-C156 HydrophobicContact CZ2-CB 4.29Å; W120-C156 HydrophobicContact CZ3-CB 3.21Å; W120-G159 PolarHBondContact NE1-O 2.91Å; W120-G159 VanDerWaalsContact NE1-O 3.14Å; W120-P165 HydrophobicContact CB-CG 3.88Å; W120-A168 HydrophobicContact CE3-CB 4.25Å; W120-A168 HydrophobicContact CZ3-CB 4.18Å
121A98.3Very high97.7Very high0 Ų03.9 Ų3.90%02%0.022CC..Hα-helixtrans-86.7-42.3177.600000111.7S118 C119 A124 A125 L149 V150S118-A121 WeakPolarHBondContact O-CA 3.36Å; S118-A121 WeakPolarHBondContact O-CB 3.48Å; S118-A121 PolarHBondContact O-N 2.91Å; C119-A121 VanDerWaalsContact C-N 3.29Å; C119-A121 PolarHBondContact O-N 3.28Å; A121-A124 PolarHBondContact O-N 3.12Å; A121-A125 VanDerWaalsContact O-CB 3.29Å; A121-A125 WeakPolarHBondContact O-CB 3.44Å; A121-A125 PolarHBondContact O-N 3.37Å; A121-L149 HydrophobicContact CB-CB 3.79Å; A121-L149 HydrophobicContact CB-CD1 4.29Å; A121-V150 HydrophobicContact CB-CG2 3.55Å
122V98.5Very high97.7Very high1 Ų14 Ų41%0.0062%0.022CC..Hα-helixtrans-63.5-47-178.6175.20000111K111 Q113 S118 C119 S126 E146K111-V122 HydrophobicContact CB-CG1 3.47Å; K111-V122 VanDerWaalsContact CB-CG1 3.47Å; K111-V122 HydrophobicContact CD-CG1 3.85Å; K111-V122 HydrophobicContact CG-CG1 4.24Å; Q113-V122 HydrophobicContact CB-CG2 3.94Å; S118-V122 WeakPolarHBondContact O-CG2 3.13Å; S118-V122 PolarHBondContact O-N 2.79Å; C119-V122 PolarHBondContact O-N 3.4Å; V122-S126 WeakPolarHBondContact O-CB 2.97Å; V122-S126 PolarHBondContact O-N 2.51Å; V122-S126 VanDerWaalsContact O-N 3.07Å; V122-S126 PolarHBondContact O-OG 3.21Å; V122-E146 HydrophobicContact CG2-CB 4.01Å; V122-E146 HydrophobicContact CG2-CG 4.17Å
123S98.2Very high97.8Very high4 Ų42.5 Ų2.53%0.0281%0.014CC..Hα-helixtrans-64-44.6175.659.20000111.6C119 S126 V127C119-S123 VanDerWaalsContact O-CB 3.27Å; C119-S123 WeakPolarHBondContact O-CB 3.31Å; C119-S123 PolarHBondContact O-N 3.26Å; C119-S123 PolarHBondContact O-OG 3.06Å; S123-S126 WeakPolarHBondContact O-CB 3.31Å; S123-S126 PolarHBondContact O-N 2.97Å; S123-V127 WeakPolarHBondContact O-CG2 3.18Å; S123-V127 PolarHBondContact O-N 2.92Å
124A97.5Very high97.9Very high0 Ų03.1 Ų3.10%02%0.017CC..Hα-helixtrans-61.9-51.5178.400000112.1W120 A121 S126 V127 M128 L149 A168 F169 V274W120-A124 WeakPolarHBondContact O-CB 3.46Å; A121-A124 PolarHBondContact O-N 3.12Å; A124-S126 VanDerWaalsContact C-N 3.25Å; A124-S126 PolarHBondContact O-N 2.95Å; A124-V127 PolarHBondContact O-N 3.47Å; A124-V127 VanDerWaalsContact O-N 3.16Å; A124-M128 HydrophobicContact CB-CE 3.9Å; A124-M128 WeakPolarHBondContact O-CG 3.39Å; A124-M128 PolarHBondContact O-N 3.23Å; A124-L149 HydrophobicContact CB-CD1 4.34Å; A124-A168 HydrophobicContact CB-CB 3.67Å; A124-F169 HydrophobicContact CB-CE2 4.23Å; A124-F169 HydrophobicContact CB-CZ 4.42Å; A124-V274 HydrophobicContact CB-CG2 4.37Å
125A98.6Very high97.9Very high0 Ų05.4 Ų5.40%04%0.036CC..Hα-helixtrans-59.5-35.9177.200000112.5A121 S129 E146 L149A121-A125 VanDerWaalsContact O-CB 3.29Å; A121-A125 WeakPolarHBondContact O-CB 3.44Å; A121-A125 PolarHBondContact O-N 3.37Å; A125-S129 WeakPolarHBondContact O-CB 3.48Å; A125-S129 PolarHBondContact O-N 3.5Å; A125-S129 PolarHBondContact O-OG 2.86Å; A125-E146 HydrophobicContact CB-CB 4.18Å; A125-L149 HydrophobicContact CB-CD1 4.01Å
126S98.7Very high98Very high9 Ų95.3 Ų5.36%0.0634%0.036CC..Hα-helixtrans-63.5-50.3174.3-57.20000111.3K111 V122 S123 A124 M128 S129 D130K111-S126 WeakPolarHBondContact CD-OG 3.34Å; K111-S126 WeakPolarHBondContact CE-OG 3.06Å; V122-S126 WeakPolarHBondContact O-CB 2.97Å; V122-S126 PolarHBondContact O-N 2.51Å; V122-S126 VanDerWaalsContact O-N 3.07Å; V122-S126 PolarHBondContact O-OG 3.21Å; S123-S126 WeakPolarHBondContact O-CB 3.31Å; S123-S126 PolarHBondContact O-N 2.97Å; A124-S126 VanDerWaalsContact C-N 3.25Å; A124-S126 PolarHBondContact O-N 2.95Å; S126-M128 VanDerWaalsContact C-N 3.35Å; S126-M128 PolarHBondContact O-N 3.07Å; S126-S129 WeakPolarHBondContact O-CB 3.38Å; S126-S129 PolarHBondContact O-N 2.95Å; S126-D130 VanDerWaalsContact O-CG 3.23Å; S126-D130 PolarHBondContact O-N 3.48Å
127V98.3Very high98Very high0 Ų013.9 Ų13.90%07%0.074CC..Hα-helixtrans-60.2-43.5176.5166.60000111.8S123 A124 S129 D130 R131 F169 P272 V274 R306S123-V127 WeakPolarHBondContact O-CG2 3.18Å; S123-V127 PolarHBondContact O-N 2.92Å; A124-V127 PolarHBondContact O-N 3.47Å; A124-V127 VanDerWaalsContact O-N 3.16Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 2.99Å; V127-D130 PolarHBondContact O-N 3.41Å; V127-R131 HydrophobicContact CG1-CG 4.12Å; V127-R131 WeakPolarHBondContact O-CB 3.18Å; V127-R131 VanDerWaalsContact O-CG 3.28Å; V127-R131 WeakPolarHBondContact O-CG 3.5Å; V127-R131 PolarHBondContact O-N 3.34Å; V127-F169 HydrophobicContact CB-CZ 4.08Å; V127-F169 HydrophobicContact CG1-CE1 3.95Å; V127-F169 HydrophobicContact CG1-CZ 3.71Å; V127-P272 VanDerWaalsContact CG1-O 3.23Å; V127-P272 WeakPolarHBondContact CG1-O 3.16Å; V127-P272 HydrophobicContact CG2-CB 4.25Å; V127-V274 HydrophobicContact CB-CG2 4.16Å; V127-V274 HydrophobicContact CG2-CG2 3.7Å; V127-R306 HydrophobicContact CG2-CB 4.29Å; V127-R306 HydrophobicContact CG2-CG 3.67Å
128M98.1Very high98Very high0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-60.1-42.8178-64.4164.1-172.800111.1A124 S126 Y132 L144 L149 A168 F169 W172 V177A124-M128 HydrophobicContact CB-CE 3.9Å; A124-M128 WeakPolarHBondContact O-CG 3.39Å; A124-M128 PolarHBondContact O-N 3.23Å; S126-M128 VanDerWaalsContact C-N 3.35Å; S126-M128 PolarHBondContact O-N 3.07Å; M128-Y132 WeakPolarHBondContact O-CB 3.38Å; M128-Y132 PolarHBondContact O-N 3.03Å; M128-L144 HydrophobicContact CB-CD1 3.47Å; M128-L144 VanDerWaalsContact CB-CD1 3.47Å; M128-L149 HydrophobicContact CE-CD1 4.28Å; M128-L149 HydrophobicContact SD-CD1 4.32Å; M128-A168 HydrophobicContact CE-CB 4.15Å; M128-A168 VanDerWaalsContact CE-O 3.27Å; M128-A168 WeakPolarHBondContact CE-O 3.5Å; M128-F169 HydrophobicContact CE-CD1 3.81Å; M128-F169 HydrophobicContact CE-CE1 4.03Å; M128-F169 HydrophobicContact CE-CG 4.17Å; M128-F169 HydrophobicContact CG-CD1 4.28Å; M128-F169 HydrophobicContact CG-CE1 3.88Å; M128-W172 HydrophobicContact CB-CD2 4.12Å; M128-W172 HydrophobicContact CB-CE3 4.4Å; M128-W172 HydrophobicContact CB-CH2 4.17Å; M128-W172 HydrophobicContact CB-CZ2 3.9Å; M128-W172 HydrophobicContact CB-CZ3 4.42Å; M128-W172 HydrophobicContact CE-CB 3.6Å; M128-W172 HydrophobicContact CE-CD2 4.38Å; M128-W172 HydrophobicContact CE-CE3 4.45Å; M128-W172 HydrophobicContact CE-CG 4.09Å; M128-W172 HydrophobicContact CG-CD2 3.57Å; M128-W172 HydrophobicContact CG-CE3 3.65Å; M128-W172 HydrophobicContact CG-CG 4Å; M128-W172 HydrophobicContact CG-CH2 4.23Å; M128-W172 HydrophobicContact CG-CZ2 4.2Å; M128-W172 HydrophobicContact CG-CZ3 3.97Å; M128-W172 HydrophobicContact SD-CB 3.77Å; M128-W172 HydrophobicContact SD-CD2 3.95Å; M128-W172 HydrophobicContact SD-CE3 4.41Å; M128-W172 HydrophobicContact SD-CG 3.69Å; M128-V177 HydrophobicContact SD-CG2 4.16Å
129S98.7Very high98Very high2 Ų223.7 Ų23.71%0.01412%0.116CC..Hα-helixtrans-59.6-49177.2-57.60000111.3A125 S126 V127 Y132 C133 P142 L144A125-S129 WeakPolarHBondContact O-CB 3.48Å; A125-S129 PolarHBondContact O-N 3.5Å; A125-S129 PolarHBondContact O-OG 2.86Å; S126-S129 WeakPolarHBondContact O-CB 3.38Å; S126-S129 PolarHBondContact O-N 2.95Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 2.99Å; S129-Y132 PolarHBondContact O-N 3.38Å; S129-C133 PolarHBondContact O-N 2.94Å; S129-P142 VanDerWaalsContact CB-O 3.3Å; S129-P142 WeakPolarHBondContact CB-O 3.31Å; S129-L144 WeakPolarHBondContact OG-CB 3.21Å; S129-L144 PolarHBondContact OG-N 3Å
130D98.7Very high98Very high2 Ų226.2 Ų26.21%0.01113%0.127CC..Hα-helixtrans-62.8-50.3-179.4-61.9-23.5000111.3I107 S126 V127 Y132 C133 I134 P272 R306I107-D130 WeakPolarHBondContact CA-OD1 3.29Å; I107-D130 HydrophobicContact CG1-CB 4.04Å; I107-D130 WeakPolarHBondContact CG1-OD1 3.17Å; I107-D130 PolarHBondContact N-OD1 2.86Å; S126-D130 VanDerWaalsContact O-CG 3.23Å; S126-D130 PolarHBondContact O-N 3.48Å; V127-D130 PolarHBondContact O-N 3.41Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.25Å; D130-C133 PolarHBondContact O-N 3.29Å; D130-C133 VanDerWaalsContact O-N 3.12Å; D130-I134 VanDerWaalsContact O-CG1 3.29Å; D130-I134 WeakPolarHBondContact O-CG1 3.35Å; D130-I134 PolarHBondContact O-N 3.35Å; D130-P272 HydrophobicContact CB-CG 4.15Å; D130-P272 WeakPolarHBondContact OD2-CG 3.29Å; D130-R306 IonicContact OD1-NH1 2.58Å; D130-R306 WeakPolarHBondContact OD2-CD 3.47Å; D130-R306 IonicContact OD2-CZ 3.86Å; D130-R306 IonicContact OD2-NE 2.63Å; D130-R306 IonicContact OD2-NH1 2.88Å; D130-R306 PolarHBondContact OD2-NH1 3.44Å
131R97.9Very high98Very high4 Ų429.5 Ų29.52%0.01514%0.143CC..Hα-helixtrans-64.7-32.8-177.8-70.4-167170.7-136.3-16.1112.5V127 A135 Y255 D266 H270 G271 P272 A351 A352V127-R131 HydrophobicContact CG1-CG 4.12Å; V127-R131 WeakPolarHBondContact O-CB 3.18Å; V127-R131 VanDerWaalsContact O-CG 3.28Å; V127-R131 WeakPolarHBondContact O-CG 3.5Å; V127-R131 PolarHBondContact O-N 3.34Å; R131-A135 WeakPolarHBondContact O-CB 3.46Å; R131-A135 PolarHBondContact O-N 3.23Å; R131-Y255 PolarHBondContact NH1-OH 3.03Å; R131-D266 IonicContact CZ-OD1 3.33Å; R131-D266 IonicContact NH1-OD1 3.24Å; R131-D266 PolarHBondContact NH1-OD1 3.28Å; R131-D266 IonicContact NH2-OD1 2.66Å; R131-D266 PolarHBondContact NH2-OD1 3.33Å; R131-H270 WeakPolarHBondContact CG-O 3.5Å; R131-G271 PolarHBondContact NH2-O 3.09Å; R131-P272 PolarHBondContact NE-O 3.23Å; R131-P272 PolarHBondContact NH2-O 3.1Å; R131-P272 VanDerWaalsContact NH2-O 3.12Å; R131-A351 VanDerWaalsContact NH1-CB 3.29Å; R131-A352 WeakPolarHBondContact CD-O 3.23Å; R131-A352 PolarHBondContact NH1-O 3.33Å
132Y98Very high97.9Very high11 Ų1129.8 Ų29.84%0.04315%0.145CC..Hα-helixtrans-65.4-42.8174.1-149.4-78.1000111.4M128 S129 D130 S136 F140 P142 W172 Y226 A354 R355 L356 P357M128-Y132 WeakPolarHBondContact O-CB 3.38Å; M128-Y132 PolarHBondContact O-N 3.03Å; S129-Y132 PolarHBondContact O-N 3.38Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.25Å; Y132-S136 WeakPolarHBondContact O-CB 3.35Å; Y132-S136 PolarHBondContact O-N 2.8Å; Y132-S136 VanDerWaalsContact O-N 3.12Å; Y132-S136 PolarHBondContact O-OG 2.96Å; Y132-F140 HydrophobicContact CD1-CB 3.73Å; Y132-F140 HydrophobicContact CD1-CG 4.45Å; Y132-F140 HydrophobicContact CE1-CB 3.74Å; Y132-F140 AromaticContact CE1-CD2 3.95Å; Y132-F140 HydrophobicContact CE1-CD2 3.95Å; Y132-F140 AromaticContact CE1-CG 3.97Å; Y132-F140 HydrophobicContact CE1-CG 3.97Å; Y132-P142 HydrophobicContact CD1-CG 3.84Å; Y132-P142 HydrophobicContact CG-CG 3.86Å; Y132-W172 HydrophobicContact CD2-CZ2 4.17Å; Y132-Y226 AromaticContact CD1-CD1 3.95Å; Y132-Y226 HydrophobicContact CD1-CD1 3.95Å; Y132-Y226 HydrophobicContact CD1-CE1 4.43Å; Y132-Y226 HydrophobicContact CD2-CD1 4.16Å; Y132-Y226 AromaticContact CE1-CD1 3.57Å; Y132-Y226 HydrophobicContact CE1-CD1 3.57Å; Y132-Y226 HydrophobicContact CE1-CE1 4.01Å; Y132-Y226 AromaticContact CE2-CD1 3.82Å; Y132-Y226 HydrophobicContact CE2-CD1 3.82Å; Y132-Y226 HydrophobicContact CE2-CG 4.36Å; Y132-Y226 HydrophobicContact CG-CD1 4.23Å; Y132-Y226 AromaticContact CZ-CD1 3.51Å; Y132-A354 HydrophobicContact CD2-CB 3.72Å; Y132-A354 HydrophobicContact CE2-CB 4.25Å; Y132-A354 HydrophobicContact CG-CB 4.15Å; Y132-R355 WeakPolarHBondContact CE2-O 3.14Å; Y132-R355 PolarHBondContact OH-O 3.43Å; Y132-R355 VanDerWaalsContact OH-O 3.1Å; Y132-L356 HydrophobicContact CD1-CD2 3.98Å; Y132-L356 HydrophobicContact CE1-CD2 3.57Å; Y132-L356 HydrophobicContact CE2-CD2 4.37Å; Y132-P357 WeakPolarHBondContact OH-CD 3.04Å
133C98.7Very high97.9Very high2 Ų230 Ų301%0.01415%0.145CC..Hα-helixtrans-65.3-46.1175.4178.40000113.2C104 S129 D130 S136 K137 G138 F140 Q141C104-C133 WeakPolarHBondContact CA-SG 3.36Å; C104-C133 HydrophobicContact CB-CB 3.84Å; C104-C133 WeakPolarHBondContact CB-SG 3.48Å; C104-C133 WeakPolarHBondContact SG-CB 3.38Å; C104-C133 CovalentContact SG-SG 2.03Å; C104-C133 PolarHBondContact SG-SG 2.87Å; S129-C133 PolarHBondContact O-N 2.94Å; D130-C133 PolarHBondContact O-N 3.29Å; D130-C133 VanDerWaalsContact O-N 3.12Å; C133-S136 CarbonylContact O-C 3.56Å; C133-S136 PolarHBondContact O-N 3.39Å; C133-S136 PolarHBondContact O-OG 3.24Å; C133-S136 VanDerWaalsContact O-OG 3.05Å; C133-K137 PolarHBondContact O-N 3Å; C133-K137 VanDerWaalsContact O-N 3.14Å; C133-G138 PolarHBondContact O-N 3.34Å; C133-F140 WeakPolarHBondContact CA-O 3.36Å; C133-F140 WeakPolarHBondContact CB-O 3.47Å; C133-Q141 HydrophobicContact CB-CG 4.42Å
134I98.3Very high97.9Very high14 Ų1429.8 Ų29.87%0.07214%0.144CC..Hα-helixtrans-62.6-48.4-179.9-68.5166.1000110.7W101 I107 D130 S136 K137W101-I134 HydrophobicContact CB-CG1 4.06Å; W101-I134 HydrophobicContact CD2-CD1 3.62Å; W101-I134 HydrophobicContact CD2-CG1 3.69Å; W101-I134 HydrophobicContact CD2-CG2 4.16Å; W101-I134 HydrophobicContact CE3-CD1 3.5Å; W101-I134 HydrophobicContact CE3-CG1 4.11Å; W101-I134 HydrophobicContact CG-CD1 4.1Å; W101-I134 HydrophobicContact CG-CG1 3.67Å; W101-I134 HydrophobicContact CG-CG2 4.41Å; W101-I134 HydrophobicContact CH2-CD1 4.45Å; W101-I134 HydrophobicContact CZ2-CG2 4.03Å; W101-I134 HydrophobicContact CZ3-CD1 3.95Å; I107-I134 HydrophobicContact CD1-CD1 4.06Å; I107-I134 HydrophobicContact CD1-CG1 4.36Å; D130-I134 VanDerWaalsContact O-CG1 3.29Å; D130-I134 WeakPolarHBondContact O-CG1 3.35Å; D130-I134 PolarHBondContact O-N 3.35Å; I134-S136 PolarHBondContact O-N 3.49Å; I134-K137 PolarHBondContact O-N 3.22Å; I134-K137 VanDerWaalsContact O-N 3.09Å
135A97Very high98Very high48 Ų4829.8 Ų29.840%0.39714%0.144SC..Hα-helixtrans-60.7-36.6178.800000112.1R131 K137 A354 L356R131-A135 WeakPolarHBondContact O-CB 3.46Å; R131-A135 PolarHBondContact O-N 3.23Å; A135-K137 VanDerWaalsContact C-N 3.28Å; A135-K137 PolarHBondContact O-N 2.89Å; A135-A354 HydrophobicContact CB-CB 3.94Å; A135-L356 HydrophobicContact CB-CD1 4.34Å; A135-L356 HydrophobicContact CB-CD2 4.33Å; A135-L356 HydrophobicContact CB-CG 4.44Å; A135-L356 WeakPolarHBondContact O-CD1 3.36Å
136S97.7Very high98Very high13 Ų1330 Ų309%0.09115%0.145CC..THydrogen-bonded Turntrans-84.54.6179.470.20000114.5Y132 C133 I134 G138 R139 F140Y132-S136 WeakPolarHBondContact O-CB 3.35Å; Y132-S136 PolarHBondContact O-N 2.8Å; Y132-S136 VanDerWaalsContact O-N 3.12Å; Y132-S136 PolarHBondContact O-OG 2.96Å; C133-S136 CarbonylContact O-C 3.56Å; C133-S136 PolarHBondContact O-N 3.39Å; C133-S136 PolarHBondContact O-OG 3.24Å; C133-S136 VanDerWaalsContact O-OG 3.05Å; I134-S136 PolarHBondContact O-N 3.49Å; S136-G138 PolarHBondContact O-N 2.86Å; S136-R139 VanDerWaalsContact O-CB 3.26Å; S136-R139 WeakPolarHBondContact O-CB 3.36Å; S136-R139 PolarHBondContact O-N 3.39Å; S136-R139 VanDerWaalsContact O-N 3.07Å; S136-F140 PolarHBondContact OG-N 3.42Å; S136-F140 PolarHBondContact OG-O 2.03Å
137K97.5Very high98Very high180 Ų18030.2 Ų30.278%0.78315%0.145SC*.THydrogen-bonded Turntrans51.538.3-175.1-56.7-179.3-179.5179.90112.4Y103 C133 I134 A135 R139Y103-K137 VanDerWaalsContact CE2-C 3.46Å; C133-K137 PolarHBondContact O-N 3Å; C133-K137 VanDerWaalsContact O-N 3.14Å; I134-K137 PolarHBondContact O-N 3.22Å; I134-K137 VanDerWaalsContact O-N 3.09Å; A135-K137 VanDerWaalsContact C-N 3.28Å; A135-K137 PolarHBondContact O-N 2.89Å; K137-R139 VanDerWaalsContact C-N 3.35Å; K137-R139 PolarHBondContact O-N 2.81Å
138G97.1Very high98Very high19 Ų1930.2 Ų30.220%0.19615%0.145CC..THydrogen-bonded Turntrans86-4.6178.400000115.6Y103 C133 S136 F140Y103-G138 VanDerWaalsContact CD2-CA 3.5Å; Y103-G138 VanDerWaalsContact CE2-N 3.29Å; C133-G138 PolarHBondContact O-N 3.34Å; S136-G138 PolarHBondContact O-N 2.86Å; G138-F140 VanDerWaalsContact C-N 3.29Å; G138-F140 PolarHBondContact O-N 2.91Å
139R97.2Very high98Very high189 Ų18930.2 Ų30.271%0.71315%0.145SC*.SBendtrans-60.8-37.7178.1-179.5179.6176.9-174.3-1.1112.3S136 K137S136-R139 VanDerWaalsContact O-CB 3.26Å; S136-R139 WeakPolarHBondContact O-CB 3.36Å; S136-R139 PolarHBondContact O-N 3.39Å; S136-R139 VanDerWaalsContact O-N 3.07Å; K137-R139 VanDerWaalsContact C-N 3.35Å; K137-R139 PolarHBondContact O-N 2.81Å
140F97.3Very high98Very high52 Ų5230.4 Ų30.423%0.22815%0.146CC..  trans-119.7130.2176.8-61.9-70.9000109.5Y132 C133 S136 G138 L356 P357Y132-F140 HydrophobicContact CD1-CB 3.73Å; Y132-F140 HydrophobicContact CD1-CG 4.45Å; Y132-F140 HydrophobicContact CE1-CB 3.74Å; Y132-F140 AromaticContact CE1-CD2 3.95Å; Y132-F140 HydrophobicContact CE1-CD2 3.95Å; Y132-F140 AromaticContact CE1-CG 3.97Å; Y132-F140 HydrophobicContact CE1-CG 3.97Å; C133-F140 WeakPolarHBondContact CA-O 3.36Å; C133-F140 WeakPolarHBondContact CB-O 3.47Å; S136-F140 PolarHBondContact OG-N 3.42Å; S136-F140 PolarHBondContact OG-O 2.03Å; G138-F140 VanDerWaalsContact C-N 3.29Å; G138-F140 PolarHBondContact O-N 2.91Å; F140-L356 HydrophobicContact CD2-CD2 4.47Å; F140-P357 HydrophobicContact CE2-CG 3.71Å; F140-P357 HydrophobicContact CZ-CG 3.66Å
141Q97.3Very high97.9Very high70 Ų7030.5 Ų30.533%0.32715%0.147SC..  trans-126.756.1176.3-54.1-15837.900111.8Y103 N106 C133 F143Y103-Q141 VanDerWaalsContact O-CD 3.3Å; Y103-Q141 PolarHBondContact O-NE2 2.95Å; Y103-Q141 PolarHBondContact O-OE1 3.05Å; Y103-Q141 VanDerWaalsContact O-OE1 3.14Å; N106-Q141 PolarHBondContact ND2-O 2.84Å; C133-Q141 HydrophobicContact CB-CG 4.42Å; Q141-F143 PolarHBondContact O-N 2.67Å
142P97.8Very high98Very high6 Ų631 Ų314%0.03915%0.151CC..  trans-63.6141.3-179.131-36.2000110N106 S129 Y132 L144 T179 Y226N106-P142 PolarHBondContact ND2-O 3.14Å; S129-P142 VanDerWaalsContact CB-O 3.3Å; S129-P142 WeakPolarHBondContact CB-O 3.31Å; Y132-P142 HydrophobicContact CD1-CG 3.84Å; Y132-P142 HydrophobicContact CG-CG 3.86Å; P142-L144 HydrophobicContact CB-CD2 3.72Å; P142-L144 HydrophobicContact CB-CG 4.19Å; P142-L144 HydrophobicContact CG-CD2 4.18Å; P142-L144 HydrophobicContact CG-CG 4.34Å; P142-T179 HydrophobicContact CB-CG2 4.39Å; P142-Y226 HydrophobicContact CB-CD1 3.89Å; P142-Y226 HydrophobicContact CB-CD2 4.08Å; P142-Y226 HydrophobicContact CB-CE1 3.73Å; P142-Y226 HydrophobicContact CB-CE2 3.95Å; P142-Y226 HydrophobicContact CB-CG 4.08Å; P142-Y226 HydrophobicContact CG-CD1 3.73Å; P142-Y226 HydrophobicContact CG-CE1 3.84Å; P142-Y226 HydrophobicContact CG-CG 4.19Å
143F98.1Very high97.9Very high5 Ų530.7 Ų30.72%0.02215%0.15CC..  trans-101.199.5165.5-167-68.2000106.1Y109 K111 Q141 T179 G180 P182Y109-F143 AromaticContact CD1-CE2 3.6Å; Y109-F143 HydrophobicContact CD1-CE2 3.6Å; Y109-F143 AromaticContact CD1-CZ 3.74Å; Y109-F143 HydrophobicContact CD1-CZ 3.74Å; Y109-F143 HydrophobicContact CD2-CE2 4.16Å; Y109-F143 AromaticContact CE1-CE2 3.93Å; Y109-F143 HydrophobicContact CE1-CE2 3.93Å; Y109-F143 AromaticContact CE1-CZ 3.72Å; Y109-F143 HydrophobicContact CE1-CZ 3.72Å; Y109-F143 HydrophobicContact CE2-CE2 4.43Å; Y109-F143 AromaticContact CG-CE2 3.76Å; Y109-F143 HydrophobicContact CG-CE2 3.76Å; Y109-F143 HydrophobicContact CG-CZ 4.36Å; K111-F143 HydrophobicContact CD-CE1 4.33Å; K111-F143 HydrophobicContact CD-CZ 4.19Å; K111-F143 VanDerWaalsContact CE-CE1 3.42Å; K111-F143 VanDerWaalsContact CE-CZ 3.44Å; K111-F143 HydrophobicContact CG-CZ 4.23Å; Q141-F143 PolarHBondContact O-N 2.67Å; F143-T179 CarbonylContact O-C 3.5Å; F143-T179 VanDerWaalsContact O-CA 3.25Å; F143-T179 WeakPolarHBondContact O-CA 3.25Å; F143-G180 WeakPolarHBondContact CD1-O 3.46Å; F143-G180 VanDerWaalsContact CE1-O 3.32Å; F143-G180 WeakPolarHBondContact CE1-O 3.25Å; F143-G180 PolarHBondContact O-N 3.05Å; F143-P182 HydrophobicContact CE1-CG 4.48Å; F143-P182 HydrophobicContact CZ-CG 4.02Å
144L98.5Very high97.7Very high0 Ų039.9 Ų39.90%019%0.185CC..BIsolated β-bridgetrans-80.8144.8-169.9-61.9-179.9000112.1K111 M128 S129 P142 E146 V177 Y226K111-L144 PolarHBondContact NZ-O 3.37Å; M128-L144 HydrophobicContact CB-CD1 3.47Å; M128-L144 VanDerWaalsContact CB-CD1 3.47Å; S129-L144 WeakPolarHBondContact OG-CB 3.21Å; S129-L144 PolarHBondContact OG-N 3Å; P142-L144 HydrophobicContact CB-CD2 3.72Å; P142-L144 HydrophobicContact CB-CG 4.19Å; P142-L144 HydrophobicContact CG-CD2 4.18Å; P142-L144 HydrophobicContact CG-CG 4.34Å; L144-E146 PolarHBondContact O-N 3.35Å; L144-V177 HydrophobicContact CB-CG1 3.97Å; L144-V177 WeakPolarHBondContact CD2-O 3.19Å; L144-Y226 HydrophobicContact CD2-CD2 3.66Å; L144-Y226 HydrophobicContact CD2-CG 3.78Å
145S98.6Very high97.3Very high0 Ų043.7 Ų43.70%021%0.209CC..  trans-78.1110.4-169.4-177.40000113.1E147 E148 V177 P178 K190S145-E147 WeakPolarHBondContact OG-CB 3.48Å; S145-E147 PolarHBondContact OG-N 3.31Å; S145-E148 PolarHBondContact OG-N 3.16Å; S145-V177 WeakPolarHBondContact O-CG1 3.39Å; S145-P178 VanDerWaalsContact CB-O 3.29Å; S145-P178 WeakPolarHBondContact CB-O 3.35Å; S145-P178 PolarHBondContact N-O 3.06Å; S145-K190 VanDerWaalsContact OG-CB 3.29Å; S145-K190 WeakPolarHBondContact OG-CB 3.35Å; S145-K190 PolarHBondContact OG-O 3.1Å
146E98.3Very high97.1Very high4 Ų441.4 Ų41.42%0.01919%0.19CC..Hα-helixtrans-62.5-32.2161.355.1-89.8-148.700111.8K111 V122 A125 L144 E148 L149 V150 Y192K111-E146 IonicContact NZ-OE1 3.56Å; K111-E146 IonicContact NZ-OE2 3.66Å; K111-E146 PolarHBondContact NZ-OE2 2.83Å; V122-E146 HydrophobicContact CG2-CB 4.01Å; V122-E146 HydrophobicContact CG2-CG 4.17Å; A125-E146 HydrophobicContact CB-CB 4.18Å; L144-E146 PolarHBondContact O-N 3.35Å; E146-E148 PolarHBondContact O-N 3.07Å; E146-L149 PolarHBondContact O-N 3.45Å; E146-L149 VanDerWaalsContact O-N 3.17Å; E146-V150 WeakPolarHBondContact O-CB 3.47Å; E146-V150 VanDerWaalsContact O-CG2 3.26Å; E146-V150 WeakPolarHBondContact O-CG2 3.3Å; E146-V150 PolarHBondContact O-N 2.86Å; E146-Y192 HydrophobicContact CG-CD2 3.4Å; E146-Y192 VanDerWaalsContact CG-CD2 3.4Å; E146-Y192 HydrophobicContact CG-CE2 3.77Å; E146-Y192 HydrophobicContact CG-CG 4Å
147E98.3Very high96.8Very high13 Ų1341.6 Ų41.66%0.06119%0.194CC..Hα-helixtrans-58.5-45.3177.4-176.175.8-177.900111.6S145 L149 V150 S151 K190 Y192 T193 P207S145-E147 WeakPolarHBondContact OG-CB 3.48Å; S145-E147 PolarHBondContact OG-N 3.31Å; E147-L149 VanDerWaalsContact C-N 3.33Å; E147-L149 PolarHBondContact O-N 3.09Å; E147-V150 PolarHBondContact O-N 3.45Å; E147-S151 VanDerWaalsContact O-CB 3.25Å; E147-S151 WeakPolarHBondContact O-CB 3.5Å; E147-S151 PolarHBondContact O-N 2.83Å; E147-S151 PolarHBondContact O-OG 2.8Å; E147-K190 HydrophobicContact CB-CB 4.45Å; E147-Y192 HydrophobicContact CB-CD2 4.45Å; E147-T193 VanDerWaalsContact CD-OG1 3.3Å; E147-T193 VanDerWaalsContact OE1-CG2 3.32Å; E147-T193 WeakPolarHBondContact OE1-CG2 3.38Å; E147-T193 PolarHBondContact OE1-OG1 3.21Å; E147-T193 PolarHBondContact OE2-N 2.71Å; E147-T193 PolarHBondContact OE2-OG1 3.42Å; E147-P207 WeakPolarHBondContact OE1-CB 3.38Å; E147-P207 VanDerWaalsContact OE1-CG 3.29Å; E147-P207 WeakPolarHBondContact OE1-CG 3.35Å
148E98.5Very high96.7Very high1 Ų137.9 Ų37.91%0.00518%0.183CC..Hα-helixtrans-57.5-46.5175.3175.177.5161.200111.2S145 E146 C152 Y171 V177 P178 K190 R225S145-E148 PolarHBondContact OG-N 3.16Å; E146-E148 PolarHBondContact O-N 3.07Å; E148-C152 WeakPolarHBondContact O-CA 3.41Å; E148-C152 VanDerWaalsContact O-CB 3.24Å; E148-C152 WeakPolarHBondContact O-CB 3.21Å; E148-C152 PolarHBondContact O-N 3.21Å; E148-C152 PolarHBondContact OE2-SG 3.14Å; E148-Y171 HydrophobicContact CG-CE1 3.87Å; E148-Y171 PolarHBondContact OE1-OH 2.96Å; E148-Y171 VanDerWaalsContact OE1-OH 3.07Å; E148-V177 HydrophobicContact CB-CG1 4.33Å; E148-P178 HydrophobicContact CB-CG 4.06Å; E148-P178 VanDerWaalsContact CG-CD 3.45Å; E148-P178 HydrophobicContact CG-CG 4.21Å; E148-K190 HydrophobicContact CB-CD 4.15Å; E148-K190 WeakPolarHBondContact OE2-CD 3.01Å; E148-K190 VanDerWaalsContact OE2-CE 3.24Å; E148-K190 WeakPolarHBondContact OE2-CE 3.06Å; E148-K190 IonicContact OE2-NZ 3.84Å; E148-K190 PolarHBondContact OE2-NZ 2.87Å; E148-R225 IonicContact OE1-CZ 3.56Å; E148-R225 VanDerWaalsContact OE1-CZ 3.24Å; E148-R225 IonicContact OE1-NH1 2.68Å; E148-R225 PolarHBondContact OE1-NH1 3.14Å; E148-R225 IonicContact OE1-NH2 3.49Å; E148-R225 PolarHBondContact OE1-NH2 2.94Å
149L98.5Very high96.7Very high0 Ų037.1 Ų37.10%018%0.175CC..Hα-helixtrans-65-48.7-179.2-67.1175.3000110.7W120 A121 A124 A125 M128 E146 E147 S151 C153 A168 Y171 V177W120-L149 HydrophobicContact CH2-CB 4.49Å; W120-L149 WeakPolarHBondContact CH2-O 3.3Å; W120-L149 HydrophobicContact CZ3-CB 4.33Å; A121-L149 HydrophobicContact CB-CB 3.79Å; A121-L149 HydrophobicContact CB-CD1 4.29Å; A124-L149 HydrophobicContact CB-CD1 4.34Å; A125-L149 HydrophobicContact CB-CD1 4.01Å; M128-L149 HydrophobicContact CE-CD1 4.28Å; M128-L149 HydrophobicContact SD-CD1 4.32Å; E146-L149 PolarHBondContact O-N 3.45Å; E146-L149 VanDerWaalsContact O-N 3.17Å; E147-L149 VanDerWaalsContact C-N 3.33Å; E147-L149 PolarHBondContact O-N 3.09Å; L149-S151 PolarHBondContact O-N 3.02Å; L149-C153 WeakPolarHBondContact O-CB 3.33Å; L149-C153 PolarHBondContact O-N 3.05Å; L149-A168 HydrophobicContact CD1-CB 4.15Å; L149-A168 HydrophobicContact CD2-CB 4.18Å; L149-Y171 HydrophobicContact CD2-CD1 3.78Å; L149-Y171 HydrophobicContact CD2-CG 4.26Å; L149-V177 HydrophobicContact CD2-CG2 3.78Å; L149-V177 HydrophobicContact CG-CG2 4.23Å
150V98.4Very high96.7Very high5 Ų528.4 Ų28.43%0.0314%0.143CC..Hα-helixtrans-62.7-43.4-178.71720000111.7A121 E146 E147 G159 T206A121-V150 HydrophobicContact CB-CG2 3.55Å; E146-V150 WeakPolarHBondContact O-CB 3.47Å; E146-V150 VanDerWaalsContact O-CG2 3.26Å; E146-V150 WeakPolarHBondContact O-CG2 3.3Å; E146-V150 PolarHBondContact O-N 2.86Å; E147-V150 PolarHBondContact O-N 3.45Å; V150-G159 WeakPolarHBondContact O-CA 3.23Å; V150-T206 HydrophobicContact CG1-CG2 4.15Å
151S98.2Very high96.6Very high4 Ų428.5 Ų28.53%0.02816%0.158CC..Hα-helixtrans-89.1-36.4-172650000113.9E147 L149 P207 C209E147-S151 VanDerWaalsContact O-CB 3.25Å; E147-S151 WeakPolarHBondContact O-CB 3.5Å; E147-S151 PolarHBondContact O-N 2.83Å; E147-S151 PolarHBondContact O-OG 2.8Å; L149-S151 PolarHBondContact O-N 3.02Å; S151-P207 WeakPolarHBondContact CB-O 3.48Å; S151-C209 WeakPolarHBondContact O-CB 3.22Å
152C98.3Very high96.5Very high14 Ų1425.2 Ų25.210%0.09514%0.143CC..Hα-helixtrans-109.9-19.1-169.1-62.70000114.9E148 R154 K190 C209E148-C152 WeakPolarHBondContact O-CA 3.41Å; E148-C152 VanDerWaalsContact O-CB 3.24Å; E148-C152 WeakPolarHBondContact O-CB 3.21Å; E148-C152 PolarHBondContact O-N 3.21Å; E148-C152 PolarHBondContact OE2-SG 3.14Å; C152-R154 PolarHBondContact O-N 2.93Å; C152-K190 PolarHBondContact SG-NZ 3.18Å; C152-C209 VanDerWaalsContact CA-SG 3.58Å; C152-C209 HydrophobicContact CB-CB 3.98Å; C152-C209 WeakPolarHBondContact CB-SG 3.3Å; C152-C209 WeakPolarHBondContact SG-CA 3.43Å; C152-C209 WeakPolarHBondContact SG-CB 3.47Å; C152-C209 CovalentContact SG-SG 2.04Å; C152-C209 PolarHBondContact SG-SG 3.27Å
153C96.5Very high96.3Very high5 Ų525 Ų253%0.03414%0.141CC..  trans-82.182.7177.8-173.10000112.2L149 T155 C156 Y171L149-C153 WeakPolarHBondContact O-CB 3.33Å; L149-C153 PolarHBondContact O-N 3.05Å; C153-T155 PolarHBondContact O-N 2.88Å; C153-C156 HydrophobicContact CB-CB 3.65Å; C153-C156 WeakPolarHBondContact CB-SG 3.23Å; C153-C156 WeakPolarHBondContact O-CB 3.17Å; C153-C156 PolarHBondContact O-N 3.12Å; C153-C156 WeakPolarHBondContact SG-CB 3.38Å; C153-C156 PolarHBondContact SG-N 3.22Å; C153-C156 CovalentContact SG-SG 2.02Å; C153-C156 PolarHBondContact SG-SG 3.12Å; C153-Y171 HydrophobicContact CB-CD2 3.53Å; C153-Y171 HydrophobicContact CB-CE2 3.89Å; C153-Y171 HydrophobicContact CB-CG 3.93Å; C153-Y171 WeakPolarHBondContact SG-CD2 3.26Å
154R94.2Very high96Very high196 Ų19625.9 Ų25.974%0.7415%0.146SC*.THydrogen-bonded Turntrans-60.4-27.2179.3-60-59.4-174.1178.50.1114.3C152C152-R154 PolarHBondContact O-N 2.93Å
155T90.2Very high95.7Very high94 Ų9426.1 Ų26.158%0.57715%0.147SC*.THydrogen-bonded Turntrans-87.3-7178.353.30000113.3C153C153-T155 PolarHBondContact O-N 2.88Å
156C92Very high95.2Very high0 Ų027.4 Ų27.40%015%0.153CC..SBendtrans-84.1-16.1-179.4-66.90000113.5W120 C153 G163 F164 M167 A168W120-C156 HydrophobicContact CE3-CB 4.07Å; W120-C156 HydrophobicContact CH2-CB 3.34Å; W120-C156 HydrophobicContact CZ2-CB 4.29Å; W120-C156 HydrophobicContact CZ3-CB 3.21Å; C153-C156 HydrophobicContact CB-CB 3.65Å; C153-C156 WeakPolarHBondContact CB-SG 3.23Å; C153-C156 WeakPolarHBondContact O-CB 3.17Å; C153-C156 PolarHBondContact O-N 3.12Å; C153-C156 WeakPolarHBondContact SG-CB 3.38Å; C153-C156 PolarHBondContact SG-N 3.22Å; C153-C156 CovalentContact SG-SG 2.02Å; C153-C156 PolarHBondContact SG-SG 3.12Å; C156-G163 CarbonylContact O-C 3.39Å; C156-G163 WeakPolarHBondContact O-CA 3.46Å; C156-F164 VanDerWaalsContact O-CD2 3.28Å; C156-F164 WeakPolarHBondContact O-CD2 3.2Å; C156-F164 PolarHBondContact O-N 2.95Å; C156-M167 HydrophobicContact CB-CB 4.22Å; C156-M167 PolarHBondContact SG-O 2.94Å; C156-A168 PolarHBondContact SG-N 3.34Å; C156-A168 VanDerWaalsContact SG-N 3.43Å
157G92.5Very high94.7Very high17 Ų1728.3 Ų28.318%0.17516%0.157CC..BIsolated β-bridgetrans136.4-149.2-176.800000111.8
158D95.3Very high94.5Very high102 Ų10227.7 Ų27.755%0.54515%0.154SC..  trans-108.532.3-170-58.6-6.3000111.8K68 C160 G161 G162 T206K68-D158 IonicContact NZ-OD1 2.67Å; K68-D158 PolarHBondContact NZ-OD1 3.22Å; K68-D158 IonicContact NZ-OD2 3.61Å; K68-D158 PolarHBondContact NZ-OD2 3.03Å; D158-C160 PolarHBondContact O-N 2.78Å; D158-C160 VanDerWaalsContact O-N 3.08Å; D158-G161 PolarHBondContact O-N 2.82Å; D158-G162 PolarHBondContact N-O 2.68Å; D158-T206 PolarHBondContact O-OG1 3.16Å
159G96.5Very high94.2Very high3 Ų328.1 Ų28.13%0.03116%0.156CC..G310 helixtrans60.1-113.1-177.700000111.9W120 V150 G161 G162W120-G159 PolarHBondContact NE1-O 2.91Å; W120-G159 VanDerWaalsContact NE1-O 3.14Å; V150-G159 WeakPolarHBondContact O-CA 3.23Å; G159-G161 PolarHBondContact O-N 3.01Å; G159-G162 PolarHBondContact O-N 3.12Å
160C97Very high93.7Very high6 Ų629.1 Ų29.14%0.04116%0.163CC..G310 helixtrans-69.9-13.7175.3-66.80000114.6C116 G117 D158 G162 I194 T203 A204 T206C116-C160 HydrophobicContact CB-CB 3.93Å; C116-C160 WeakPolarHBondContact CB-SG 3.08Å; C116-C160 WeakPolarHBondContact SG-CA 3.34Å; C116-C160 WeakPolarHBondContact SG-CB 3.36Å; C116-C160 CovalentContact SG-SG 2.03Å; C116-C160 PolarHBondContact SG-SG 2.98Å; G117-C160 VanDerWaalsContact CA-O 3.27Å; G117-C160 WeakPolarHBondContact CA-O 3.24Å; G117-C160 PolarHBondContact N-O 2.87Å; D158-C160 PolarHBondContact O-N 2.78Å; D158-C160 VanDerWaalsContact O-N 3.08Å; C160-G162 PolarHBondContact O-N 2.92Å; C160-I194 VanDerWaalsContact SG-CD1 3.55Å; C160-T203 HydrophobicContact CB-CG2 4.26Å; C160-A204 WeakPolarHBondContact CB-O 3.2Å; C160-T206 PolarHBondContact N-OG1 2.89Å
161G95.3Very high93.5Very high53 Ų5330.1 Ų30.155%0.54617%0.166SC..G310 helixtrans-79.53.317000000114.2K68 D158 G159K68-G161 WeakPolarHBondContact CE-O 3.02Å; D158-G161 PolarHBondContact O-N 2.82Å; G159-G161 PolarHBondContact O-N 3.01Å
162G95.2Very high93.3Very high2 Ų230 Ų302%0.02117%0.165CC..  trans97.8164.6178.400000114.4G66 K68 G117 D158 G159 C160G66-G162 CarbonylContact O-C 3.53Å; G66-G162 WeakPolarHBondContact O-CA 3.26Å; K68-G162 WeakPolarHBondContact CE-O 3.4Å; G117-G162 WeakPolarHBondContact O-CA 3.18Å; D158-G162 PolarHBondContact N-O 2.68Å; G159-G162 PolarHBondContact O-N 3.12Å; C160-G162 PolarHBondContact O-N 2.92Å
163G94.6Very high93Very high0 Ų029.8 Ų29.80%017%0.165CC..BIsolated β-bridgetrans-167.1-166.6-171.400000114.7G66 K68 C156G66-G163 PolarHBondContact O-N 3.45Å; K68-G163 PolarHBondContact N-O 3.42Å; C156-G163 CarbonylContact O-C 3.39Å; C156-G163 WeakPolarHBondContact O-CA 3.46Å
164F91.6Very high92.7Very high25 Ų2532 Ų3211%0.1118%0.178CC..  trans-120.6107.8-167.5-59.8-75.4000109.7K68 M71 C156 E166 M167 A168K68-F164 HydrophobicContact CB-CD1 4.13Å; K68-F164 HydrophobicContact CB-CE1 3.56Å; K68-F164 HydrophobicContact CB-CE2 4.3Å; K68-F164 HydrophobicContact CB-CZ 3.65Å; K68-F164 HydrophobicContact CD-CE2 4.22Å; K68-F164 HydrophobicContact CD-CZ 4.16Å; K68-F164 WeakPolarHBondContact O-CD1 3.33Å; K68-F164 WeakPolarHBondContact O-CE1 3.34Å; M71-F164 HydrophobicContact CB-CE1 3.93Å; M71-F164 HydrophobicContact CE-CE1 4.41Å; M71-F164 HydrophobicContact CE-CE2 4.22Å; M71-F164 HydrophobicContact CE-CZ 4.01Å; M71-F164 HydrophobicContact CG-CE1 4.35Å; M71-F164 HydrophobicContact CG-CZ 4.5Å; C156-F164 VanDerWaalsContact O-CD2 3.28Å; C156-F164 WeakPolarHBondContact O-CD2 3.2Å; C156-F164 PolarHBondContact O-N 2.95Å; F164-E166 PolarHBondContact O-N 3.21Å; F164-M167 HydrophobicContact CB-CB 4.11Å; F164-M167 HydrophobicContact CB-CG 3.88Å; F164-M167 PolarHBondContact O-N 3.06Å; F164-M167 VanDerWaalsContact O-N 3.09Å; F164-A168 PolarHBondContact O-N 3.46Å
165P91.4Very high92.7Very high5 Ų530.5 Ų30.53%0.03217%0.172CC..Hα-helixtrans-55.1-36.2-178.8-25.833.8000114.2W120 M167 A168 F169 V274 A304 V350W120-P165 HydrophobicContact CB-CG 3.88Å; P165-M167 VanDerWaalsContact C-N 3.3Å; P165-M167 PolarHBondContact O-N 2.86Å; P165-A168 WeakPolarHBondContact O-CB 3.48Å; P165-A168 PolarHBondContact O-N 2.97Å; P165-F169 VanDerWaalsContact O-CD2 3.3Å; P165-F169 WeakPolarHBondContact O-CD2 3.32Å; P165-F169 PolarHBondContact O-N 3.22Å; P165-V274 HydrophobicContact CB-CG1 3.9Å; P165-V274 HydrophobicContact CG-CG1 4.34Å; P165-A304 HydrophobicContact CG-CB 3.87Å; P165-V350 HydrophobicContact CB-CG2 3.97Å
166E87.2Confident93Very high26 Ų2626 Ų2612%0.12115%0.145CC..Hα-helixtrans-61.1-38.7177.867.6-81-161.500112.3F164 A168 F169 V170 V350F164-E166 PolarHBondContact O-N 3.21Å; E166-A168 VanDerWaalsContact C-N 3.29Å; E166-A168 PolarHBondContact O-N 3Å; E166-F169 PolarHBondContact O-N 3.5Å; E166-V170 PolarHBondContact O-N 3.09Å; E166-V170 VanDerWaalsContact O-N 3.16Å; E166-V350 HydrophobicContact CB-CG1 4.2Å
167M89.4Confident93.3Very high23 Ų2326 Ų2611%0.11315%0.145CC..Hα-helixtrans-71.8-27.6179.5-66.7-54.7-68.500111.6C156 F164 P165 F169 V170 Y171 L238C156-M167 HydrophobicContact CB-CB 4.22Å; C156-M167 PolarHBondContact SG-O 2.94Å; F164-M167 HydrophobicContact CB-CB 4.11Å; F164-M167 HydrophobicContact CB-CG 3.88Å; F164-M167 PolarHBondContact O-N 3.06Å; F164-M167 VanDerWaalsContact O-N 3.09Å; P165-M167 VanDerWaalsContact C-N 3.3Å; P165-M167 PolarHBondContact O-N 2.86Å; M167-F169 VanDerWaalsContact C-N 3.32Å; M167-F169 PolarHBondContact O-N 3.32Å; M167-V170 WeakPolarHBondContact O-CB 3.48Å; M167-V170 PolarHBondContact O-N 2.86Å; M167-V170 HydrophobicContact SD-CG2 4.32Å; M167-Y171 PolarHBondContact O-N 2.94Å; M167-L238 HydrophobicContact CE-CD1 4.32Å; M167-L238 HydrophobicContact SD-CD1 4.17Å
168A93.7Very high93.6Very high0 Ų025.2 Ų25.20%014%0.136CC..Hα-helixtrans-63-39.2171.900000111.5W120 A124 M128 L149 C156 F164 P165 E166 Y171 W172W120-A168 HydrophobicContact CE3-CB 4.25Å; W120-A168 HydrophobicContact CZ3-CB 4.18Å; A124-A168 HydrophobicContact CB-CB 3.67Å; M128-A168 HydrophobicContact CE-CB 4.15Å; M128-A168 VanDerWaalsContact CE-O 3.27Å; M128-A168 WeakPolarHBondContact CE-O 3.5Å; L149-A168 HydrophobicContact CD1-CB 4.15Å; L149-A168 HydrophobicContact CD2-CB 4.18Å; C156-A168 PolarHBondContact SG-N 3.34Å; C156-A168 VanDerWaalsContact SG-N 3.43Å; F164-A168 PolarHBondContact O-N 3.46Å; P165-A168 WeakPolarHBondContact O-CB 3.48Å; P165-A168 PolarHBondContact O-N 2.97Å; E166-A168 VanDerWaalsContact C-N 3.29Å; E166-A168 PolarHBondContact O-N 3Å; A168-Y171 WeakPolarHBondContact O-CB 3.45Å; A168-Y171 PolarHBondContact O-N 2.73Å; A168-W172 WeakPolarHBondContact O-CB 3.32Å; A168-W172 PolarHBondContact O-N 2.8Å
169F92Very high93.7Very high10 Ų1021.1 Ų21.14%0.04412%0.115CC..Hα-helixtrans-68.9-35.1173.9-72.2-75.4000112.8A124 V127 M128 P165 E166 M167 W172 A173 V274 V350 A352A124-F169 HydrophobicContact CB-CE2 4.23Å; A124-F169 HydrophobicContact CB-CZ 4.42Å; V127-F169 HydrophobicContact CB-CZ 4.08Å; V127-F169 HydrophobicContact CG1-CE1 3.95Å; V127-F169 HydrophobicContact CG1-CZ 3.71Å; M128-F169 HydrophobicContact CE-CD1 3.81Å; M128-F169 HydrophobicContact CE-CE1 4.03Å; M128-F169 HydrophobicContact CE-CG 4.17Å; M128-F169 HydrophobicContact CG-CD1 4.28Å; M128-F169 HydrophobicContact CG-CE1 3.88Å; P165-F169 VanDerWaalsContact O-CD2 3.3Å; P165-F169 WeakPolarHBondContact O-CD2 3.32Å; P165-F169 PolarHBondContact O-N 3.22Å; E166-F169 PolarHBondContact O-N 3.5Å; M167-F169 VanDerWaalsContact C-N 3.32Å; M167-F169 PolarHBondContact O-N 3.32Å; F169-W172 AromaticContact CD1-CE3 3.85Å; F169-W172 HydrophobicContact CD1-CE3 3.85Å; F169-W172 HydrophobicContact CD1-CZ3 4.16Å; F169-W172 HydrophobicContact CE1-CE3 4.36Å; F169-W172 HydrophobicContact CE1-CZ3 4.35Å; F169-W172 PolarHBondContact O-N 3.02Å; F169-A173 WeakPolarHBondContact O-CB 3.24Å; F169-A173 PolarHBondContact O-N 3.34Å; F169-V274 HydrophobicContact CE2-CB 4.24Å; F169-V274 HydrophobicContact CE2-CG2 3.71Å; F169-V274 HydrophobicContact CZ-CG2 3.81Å; F169-V350 HydrophobicContact CD2-CG2 4.05Å; F169-V350 HydrophobicContact CE2-CG2 3.92Å; F169-A352 HydrophobicContact CB-CB 4.31Å; F169-A352 HydrophobicContact CD1-CB 3.79Å; F169-A352 HydrophobicContact CG-CB 4.36Å
170V88.3Confident93.8Very high22 Ų2221 Ų2113%0.13311%0.113CC..Hα-helixtrans-62.2-43.8171.1176.60000110.8E166 M167 A173 T174 L234E166-V170 PolarHBondContact O-N 3.09Å; E166-V170 VanDerWaalsContact O-N 3.16Å; M167-V170 WeakPolarHBondContact O-CB 3.48Å; M167-V170 PolarHBondContact O-N 2.86Å; M167-V170 HydrophobicContact SD-CG2 4.32Å; V170-A173 PolarHBondContact O-N 3.23Å; V170-T174 HydrophobicContact CG1-CG2 4.38Å; V170-T174 WeakPolarHBondContact O-CB 3.37Å; V170-T174 WeakPolarHBondContact O-CG2 3.23Å; V170-T174 PolarHBondContact O-N 3.08Å; V170-T174 PolarHBondContact O-OG1 3.13Å; V170-L234 HydrophobicContact CG2-CD1 3.91Å
171Y92.9Very high93.7Very high26 Ų2625 Ų2510%0.10213%0.128CC..Hα-helixtrans-61.5-46.6176.2-171-85.2000111.5E148 L149 C153 M167 A168 A173 T174 R175 G176 V177E148-Y171 HydrophobicContact CG-CE1 3.87Å; E148-Y171 PolarHBondContact OE1-OH 2.96Å; E148-Y171 VanDerWaalsContact OE1-OH 3.07Å; L149-Y171 HydrophobicContact CD2-CD1 3.78Å; L149-Y171 HydrophobicContact CD2-CG 4.26Å; C153-Y171 HydrophobicContact CB-CD2 3.53Å; C153-Y171 HydrophobicContact CB-CE2 3.89Å; C153-Y171 HydrophobicContact CB-CG 3.93Å; C153-Y171 WeakPolarHBondContact SG-CD2 3.26Å; M167-Y171 PolarHBondContact O-N 2.94Å; A168-Y171 WeakPolarHBondContact O-CB 3.45Å; A168-Y171 PolarHBondContact O-N 2.73Å; Y171-A173 VanDerWaalsContact C-N 3.26Å; Y171-A173 PolarHBondContact O-N 3.18Å; Y171-T174 PolarHBondContact O-N 3.33Å; Y171-T174 PolarHBondContact O-OG1 3.07Å; Y171-R175 HydrophobicContact CD1-CB 4.12Å; Y171-R175 HydrophobicContact CD2-CB 4.36Å; Y171-R175 HydrophobicContact CD2-CG 4.15Å; Y171-R175 HydrophobicContact CE1-CB 3.76Å; Y171-R175 HydrophobicContact CE1-CG 4.48Å; Y171-R175 HydrophobicContact CE2-CB 4.06Å; Y171-R175 HydrophobicContact CE2-CG 3.87Å; Y171-R175 HydrophobicContact CG-CB 4.4Å; Y171-R175 PolarHBondContact O-N 2.91Å; Y171-G176 PolarHBondContact O-N 3.14Å; Y171-V177 HydrophobicContact CD1-CG2 4.24Å
172W95.4Very high93.8Very high0 Ų024.1 Ų24.10%011%0.112CC..Hα-helixtrans-58.7-37.7177.6179.745.4000113.2M128 Y132 A168 F169 G176 V177 Y226 G228 A352 A354M128-W172 HydrophobicContact CB-CD2 4.12Å; M128-W172 HydrophobicContact CB-CE3 4.4Å; M128-W172 HydrophobicContact CB-CH2 4.17Å; M128-W172 HydrophobicContact CB-CZ2 3.9Å; M128-W172 HydrophobicContact CB-CZ3 4.42Å; M128-W172 HydrophobicContact CE-CB 3.6Å; M128-W172 HydrophobicContact CE-CD2 4.38Å; M128-W172 HydrophobicContact CE-CE3 4.45Å; M128-W172 HydrophobicContact CE-CG 4.09Å; M128-W172 HydrophobicContact CG-CD2 3.57Å; M128-W172 HydrophobicContact CG-CE3 3.65Å; M128-W172 HydrophobicContact CG-CG 4Å; M128-W172 HydrophobicContact CG-CH2 4.23Å; M128-W172 HydrophobicContact CG-CZ2 4.2Å; M128-W172 HydrophobicContact CG-CZ3 3.97Å; M128-W172 HydrophobicContact SD-CB 3.77Å; M128-W172 HydrophobicContact SD-CD2 3.95Å; M128-W172 HydrophobicContact SD-CE3 4.41Å; M128-W172 HydrophobicContact SD-CG 3.69Å; Y132-W172 HydrophobicContact CD2-CZ2 4.17Å; A168-W172 WeakPolarHBondContact O-CB 3.32Å; A168-W172 PolarHBondContact O-N 2.8Å; F169-W172 AromaticContact CD1-CE3 3.85Å; F169-W172 HydrophobicContact CD1-CE3 3.85Å; F169-W172 HydrophobicContact CD1-CZ3 4.16Å; F169-W172 HydrophobicContact CE1-CE3 4.36Å; F169-W172 HydrophobicContact CE1-CZ3 4.35Å; F169-W172 PolarHBondContact O-N 3.02Å; W172-G176 VanDerWaalsContact O-CA 3.29Å; W172-G176 WeakPolarHBondContact O-CA 3.18Å; W172-G176 PolarHBondContact O-N 2.87Å; W172-V177 HydrophobicContact CB-CG2 4.12Å; W172-V177 HydrophobicContact CG-CG2 4.35Å; W172-Y226 PolarHBondContact NE1-O 2.99Å; W172-G228 VanDerWaalsContact CD2-CA 3.45Å; W172-G228 VanDerWaalsContact CE2-N 3.27Å; W172-G228 PolarHBondContact O-N 3.1Å; W172-G228 VanDerWaalsContact O-N 3.14Å; W172-A352 HydrophobicContact CE3-CB 4.12Å; W172-A352 HydrophobicContact CZ3-CB 3.91Å; W172-A354 HydrophobicContact CH2-CB 4.07Å; W172-A354 HydrophobicContact CZ2-CB 4.2Å
173A90.9Very high93.8Very high11 Ų1129.2 Ų29.29%0.09113%0.132CC..Hα-helixtrans-75.3-34.2178.300000113.2F169 V170 Y171 L230F169-A173 WeakPolarHBondContact O-CB 3.24Å; F169-A173 PolarHBondContact O-N 3.34Å; V170-A173 PolarHBondContact O-N 3.23Å; Y171-A173 VanDerWaalsContact C-N 3.26Å; Y171-A173 PolarHBondContact O-N 3.18Å; A173-L230 HydrophobicContact CB-CB 3.77Å; A173-L230 HydrophobicContact CB-CD1 3.75Å; A173-L230 HydrophobicContact CB-CG 4.35Å
174T90.1Very high93.8Very high51 Ų5132.5 Ų32.531%0.31317%0.166SC..Hα-helixtrans-92.7-37.6-174.253.50000114.2V170 Y171 L230V170-T174 HydrophobicContact CG1-CG2 4.38Å; V170-T174 WeakPolarHBondContact O-CB 3.37Å; V170-T174 WeakPolarHBondContact O-CG2 3.23Å; V170-T174 PolarHBondContact O-N 3.08Å; V170-T174 PolarHBondContact O-OG1 3.13Å; Y171-T174 PolarHBondContact O-N 3.33Å; Y171-T174 PolarHBondContact O-OG1 3.07Å; T174-L230 HydrophobicContact CG2-CD1 3.98Å; T174-L230 HydrophobicContact CG2-CD2 4.02Å
175R94.4Very high93.8Very high165 Ų16532.7 Ų32.762%0.62317%0.17SC*.THydrogen-bonded Turntrans-115.3-16.8-175.5-61.6-60.5-167.9175.62.9113.4Y171 R225 F227Y171-R175 HydrophobicContact CD1-CB 4.12Å; Y171-R175 HydrophobicContact CD2-CB 4.36Å; Y171-R175 HydrophobicContact CD2-CG 4.15Å; Y171-R175 HydrophobicContact CE1-CB 3.76Å; Y171-R175 HydrophobicContact CE1-CG 4.48Å; Y171-R175 HydrophobicContact CE2-CB 4.06Å; Y171-R175 HydrophobicContact CE2-CG 3.87Å; Y171-R175 HydrophobicContact CG-CB 4.4Å; Y171-R175 PolarHBondContact O-N 2.91Å; R175-R225 WeakPolarHBondContact O-CD 3.3Å; R175-R225 PolarHBondContact O-NH1 2.61Å; R175-F227 VanDerWaalsContact C-CE1 3.45Å
176G96.4Very high93.7Very high0 Ų038.6 Ų38.60%020%0.202CC..  trans68.8160.5-171.100000112Y171 W172 R225 Y226Y171-G176 PolarHBondContact O-N 3.14Å; W172-G176 VanDerWaalsContact O-CA 3.29Å; W172-G176 WeakPolarHBondContact O-CA 3.18Å; W172-G176 PolarHBondContact O-N 2.87Å; G176-R225 PolarHBondContact O-NH1 2.6Å; G176-Y226 CarbonylContact C-O 3.52Å; G176-Y226 WeakPolarHBondContact CA-O 3.46Å
177V98.4Very high93.8Very high0 Ų042.2 Ų42.20%022%0.222CC..BIsolated β-bridgetrans-121.6131.1177.41780000107.7M128 L144 S145 E148 L149 Y171 W172 Y226M128-V177 HydrophobicContact SD-CG2 4.16Å; L144-V177 HydrophobicContact CB-CG1 3.97Å; L144-V177 WeakPolarHBondContact CD2-O 3.19Å; S145-V177 WeakPolarHBondContact O-CG1 3.39Å; E148-V177 HydrophobicContact CB-CG1 4.33Å; L149-V177 HydrophobicContact CD2-CG2 3.78Å; L149-V177 HydrophobicContact CG-CG2 4.23Å; Y171-V177 HydrophobicContact CD1-CG2 4.24Å; W172-V177 HydrophobicContact CB-CG2 4.12Å; W172-V177 HydrophobicContact CG-CG2 4.35Å; V177-Y226 PolarHBondContact N-O 3.31Å; V177-Y226 PolarHBondContact O-N 3.15Å
178P98.5Very high94.2Very high0 Ų041.1 Ų41.10%022%0.216CC..  trans-79.5174.4177.235.5-34.9000112.1S145 E148 C189 K190 L221 D224S145-P178 VanDerWaalsContact CB-O 3.29Å; S145-P178 WeakPolarHBondContact CB-O 3.35Å; S145-P178 PolarHBondContact N-O 3.06Å; E148-P178 HydrophobicContact CB-CG 4.06Å; E148-P178 VanDerWaalsContact CG-CD 3.45Å; E148-P178 HydrophobicContact CG-CG 4.21Å; P178-C189 HydrophobicContact CB-CB 3.99Å; P178-K190 HydrophobicContact CG-CB 4.33Å; P178-K190 HydrophobicContact CG-CD 3.93Å; P178-K190 HydrophobicContact CG-CG 4.15Å; P178-L221 HydrophobicContact CB-CD1 3.85Å; P178-L221 HydrophobicContact CG-CD1 3.81Å; P178-D224 VanDerWaalsContact CA-O 3.23Å; P178-D224 WeakPolarHBondContact CA-O 3.49Å; P178-D224 HydrophobicContact CB-CB 4.39Å
179T98.6Very high94.4Very high15 Ų1541.1 Ų41.19%0.09222%0.216CC..BIsolated β-bridgetrans-66.514617063.40000111.1P142 F143 C189 K190 D224 Y226P142-T179 HydrophobicContact CB-CG2 4.39Å; F143-T179 CarbonylContact O-C 3.5Å; F143-T179 VanDerWaalsContact O-CA 3.25Å; F143-T179 WeakPolarHBondContact O-CA 3.25Å; T179-C189 WeakPolarHBondContact O-CB 3.14Å; T179-C189 PolarHBondContact O-N 3.34Å; T179-C189 PolarHBondContact OG1-N 3.33Å; T179-C189 VanDerWaalsContact OG1-N 3.13Å; T179-K190 PolarHBondContact O-N 3.49Å; T179-D224 VanDerWaalsContact CB-OD2 3.31Å; T179-D224 WeakPolarHBondContact CB-OD2 3.38Å; T179-D224 WeakPolarHBondContact CG2-OD2 3.3Å; T179-D224 PolarHBondContact N-OD2 3.4Å; T179-D224 PolarHBondContact OG1-OD2 2.75Å; T179-Y226 HydrophobicContact CG2-CD2 4.44Å; T179-Y226 HydrophobicContact CG2-CE2 3.73Å
180G97.9Very high94.7Very high0 Ų041.2 Ų41.20%022%0.217CC..  trans-163.896.4-179.600000111.3F143 S188 K190F143-G180 WeakPolarHBondContact CD1-O 3.46Å; F143-G180 VanDerWaalsContact CE1-O 3.32Å; F143-G180 WeakPolarHBondContact CE1-O 3.25Å; F143-G180 PolarHBondContact O-N 3.05Å; G180-S188 WeakPolarHBondContact CA-OG 3.27Å; G180-K190 VanDerWaalsContact CA-C 3.48Å; G180-K190 WeakPolarHBondContact CA-O 3.4Å
181R96.2Very high95.1Very high91 Ų9141 Ų4134%0.34322%0.216SC..PPolyproline II helixtrans-73.2170.7-178.9-74.7-82.1-170.7-164.3-2.1111S185 S188 P191 Y192R181-S185 WeakPolarHBondContact CB-OG 3.16Å; R181-S188 PolarHBondContact N-OG 3.05Å; R181-P191 CarbonylContact O-C 3.57Å; R181-P191 WeakPolarHBondContact O-CA 3.49Å; R181-Y192 PolarHBondContact O-N 3.34Å
182P96.2Very high95.3Very high34 Ų3440.2 Ų40.222%0.22121%0.213CC..SBendtrans-58.6168-179.7-22.632.6000113.8Y109 F143 G184 S185Y109-P182 HydrophobicContact CE1-CG 4.02Å; Y109-P182 HydrophobicContact CE2-CG 4.22Å; Y109-P182 VanDerWaalsContact CZ-CG 3.48Å; Y109-P182 WeakPolarHBondContact OH-CG 3.02Å; F143-P182 HydrophobicContact CE1-CG 4.48Å; F143-P182 HydrophobicContact CZ-CG 4.02Å; P182-G184 PolarHBondContact O-N 3.06Å; P182-S185 VanDerWaalsContact O-CB 3.28Å; P182-S185 WeakPolarHBondContact O-CB 3.33Å; P182-S185 PolarHBondContact O-N 2.9Å; P182-S185 VanDerWaalsContact O-N 3.15Å; P182-S185 PolarHBondContact O-OG 2.69Å
183Y95.8Very high95.4Very high109 Ų10944 Ų4443%0.42724%0.236SC..THydrogen-bonded Turntrans-49.8139173.6176.5-95000112.8S185 Y192 T193 K195Y183-S185 VanDerWaalsContact C-N 3.27Å; Y183-S185 PolarHBondContact O-N 2.62Å; Y183-Y192 VanDerWaalsContact CA-O 3.24Å; Y183-Y192 WeakPolarHBondContact CA-O 3.47Å; Y183-T193 WeakPolarHBondContact CE2-O 3.26Å; Y183-K195 HydrophobicContact CD1-CG 4.43Å; Y183-K195 HydrophobicContact CD2-CB 4.29Å; Y183-K195 HydrophobicContact CE1-CB 3.98Å; Y183-K195 HydrophobicContact CE1-CG 3.78Å; Y183-K195 HydrophobicContact CE2-CB 3.73Å; Y183-K195 HydrophobicContact CE2-CG 4.44Å
184G93.6Very high95.7Very high69 Ų6944 Ų4471%0.71123%0.234SC*.THydrogen-bonded Turntrans82-3.9-178.700000114.9P182P182-G184 PolarHBondContact O-N 3.06Å
185S93.1Very high95.8Very high29 Ų2948.1 Ų48.120%0.20325%0.248CC..  trans-82.9145.6172.6670000112.2R181 P182 Y183 P191R181-S185 WeakPolarHBondContact CB-OG 3.16Å; P182-S185 VanDerWaalsContact O-CB 3.28Å; P182-S185 WeakPolarHBondContact O-CB 3.33Å; P182-S185 PolarHBondContact O-N 2.9Å; P182-S185 VanDerWaalsContact O-N 3.15Å; P182-S185 PolarHBondContact O-OG 2.69Å; Y183-S185 VanDerWaalsContact C-N 3.27Å; Y183-S185 PolarHBondContact O-N 2.62Å; S185-P191 WeakPolarHBondContact O-CB 3.41Å; S185-P191 WeakPolarHBondContact O-CG 2.97Å; S185-P191 WeakPolarHBondContact OG-CB 3.22Å
186N87.6Confident95.7Very high130 Ų13043.2 Ų43.270%0.69524%0.237SC*.  trans-122.87.5179.563.2-5.5000113.1
187N91Very high95.4Very high101 Ų10144.9 Ų44.954%0.5425%0.249SC..SBendtrans-110.534.3-172.266.4-11.4000112.9
188S96.8Very high94.5Very high1 Ų146 Ų461%0.00726%0.256CS..SBendtrans-150.1164.7176.965.20000110.9G180 R181G180-S188 WeakPolarHBondContact CA-OG 3.27Å; R181-S188 PolarHBondContact N-OG 3.05Å
189C98.3Very high93.8Very high0 Ų048.3 Ų48.30%027%0.27CS..SBendtrans-65.5-47.2-176.2179.30000112.8P178 T179 C213 A214 Y217 L221 D224P178-C189 HydrophobicContact CB-CB 3.99Å; T179-C189 WeakPolarHBondContact O-CB 3.14Å; T179-C189 PolarHBondContact O-N 3.34Å; T179-C189 PolarHBondContact OG1-N 3.33Å; T179-C189 VanDerWaalsContact OG1-N 3.13Å; C189-C213 HydrophobicContact CB-CB 3.81Å; C189-C213 WeakPolarHBondContact CB-SG 3.25Å; C189-C213 CarbonylContact O-C 3.41Å; C189-C213 WeakPolarHBondContact O-CA 3.43Å; C189-C213 VanDerWaalsContact SG-CA 3.51Å; C189-C213 WeakPolarHBondContact SG-CB 3.37Å; C189-C213 CovalentContact SG-SG 2.04Å; C189-C213 PolarHBondContact SG-SG 3.31Å; C189-A214 PolarHBondContact O-N 2.88Å; C189-Y217 HydrophobicContact CB-CD1 3.89Å; C189-Y217 HydrophobicContact CB-CE1 3.65Å; C189-L221 VanDerWaalsContact SG-CD1 3.55Å; C189-D224 HydrophobicContact CB-CB 4.22Å; C189-D224 WeakPolarHBondContact CB-OD2 3.14Å
190K98Very high93.3Very high11 Ų1149.8 Ų49.85%0.04828%0.281CS..SBendtrans-136.673.4-176-72-166.4165.6-154.80111.6S145 E147 E148 C152 P178 T179 G180 Q210S145-K190 VanDerWaalsContact OG-CB 3.29Å; S145-K190 WeakPolarHBondContact OG-CB 3.35Å; S145-K190 PolarHBondContact OG-O 3.1Å; E147-K190 HydrophobicContact CB-CB 4.45Å; E148-K190 HydrophobicContact CB-CD 4.15Å; E148-K190 WeakPolarHBondContact OE2-CD 3.01Å; E148-K190 VanDerWaalsContact OE2-CE 3.24Å; E148-K190 WeakPolarHBondContact OE2-CE 3.06Å; E148-K190 IonicContact OE2-NZ 3.84Å; E148-K190 PolarHBondContact OE2-NZ 2.87Å; C152-K190 PolarHBondContact SG-NZ 3.18Å; P178-K190 HydrophobicContact CG-CB 4.33Å; P178-K190 HydrophobicContact CG-CD 3.93Å; P178-K190 HydrophobicContact CG-CG 4.15Å; T179-K190 PolarHBondContact O-N 3.49Å; G180-K190 VanDerWaalsContact CA-C 3.48Å; G180-K190 WeakPolarHBondContact CA-O 3.4Å; K190-Q210 WeakPolarHBondContact CE-O 3.27Å; K190-Q210 PolarHBondContact NZ-O 3.29Å
191P97.7Very high92.6Very high19 Ų1955.4 Ų55.412%0.12332%0.315CS..  trans-61.6154177.329.8-35.7000110.8R181 S185 T193 A214R181-P191 CarbonylContact O-C 3.57Å; R181-P191 WeakPolarHBondContact O-CA 3.49Å; S185-P191 WeakPolarHBondContact O-CB 3.41Å; S185-P191 WeakPolarHBondContact O-CG 2.97Å; S185-P191 WeakPolarHBondContact OG-CB 3.22Å; P191-T193 PolarHBondContact O-N 2.86Å; P191-A214 HydrophobicContact CG-CB 4.36Å
192Y97.4Very high92.1Very high8 Ų857 Ų573%0.03133%0.33CS..  trans-65.2126.4176.9-162.6-126000110.5Q113 S118 E146 E147 R181 Y183 I194Q113-Y192 PolarHBondContact O-OH 3.22Å; Q113-Y192 VanDerWaalsContact O-OH 3.08Å; S118-Y192 PolarHBondContact OG-OH 3.48Å; E146-Y192 HydrophobicContact CG-CD2 3.4Å; E146-Y192 VanDerWaalsContact CG-CD2 3.4Å; E146-Y192 HydrophobicContact CG-CE2 3.77Å; E146-Y192 HydrophobicContact CG-CG 4Å; E147-Y192 HydrophobicContact CB-CD2 4.45Å; R181-Y192 PolarHBondContact O-N 3.34Å; Y183-Y192 VanDerWaalsContact CA-O 3.24Å; Y183-Y192 WeakPolarHBondContact CA-O 3.47Å; Y192-I194 HydrophobicContact CD1-CB 4.25Å; Y192-I194 HydrophobicContact CE1-CB 3.73Å; Y192-I194 HydrophobicContact CE1-CG1 4.43Å; Y192-I194 HydrophobicContact CE2-CD1 4.27Å; Y192-I194 HydrophobicContact CE2-CG1 4.48Å
193T96.7Very high91.7Very high79 Ų7959 Ų5949%0.48534%0.342SS..  trans-94.2-12.9-172.359.50000113.6E147 Y183 P191 K195 P207E147-T193 VanDerWaalsContact CD-OG1 3.3Å; E147-T193 VanDerWaalsContact OE1-CG2 3.32Å; E147-T193 WeakPolarHBondContact OE1-CG2 3.38Å; E147-T193 PolarHBondContact OE1-OG1 3.21Å; E147-T193 PolarHBondContact OE2-N 2.71Å; E147-T193 PolarHBondContact OE2-OG1 3.42Å; Y183-T193 WeakPolarHBondContact CE2-O 3.26Å; P191-T193 PolarHBondContact O-N 2.86Å; T193-K195 PolarHBondContact O-N 3.02Å; T193-P207 VanDerWaalsContact OG1-CG 3.31Å; T193-P207 WeakPolarHBondContact OG1-CG 3.43Å
194I96.2Very high91.6Very high12 Ų1254.6 Ų54.66%0.06233%0.328CS..SBendtrans-84.2114-177-53.4178000109.6C116 C160 Y192 A204 P207C116-I194 HydrophobicContact CB-CD1 3.61Å; C160-I194 VanDerWaalsContact SG-CD1 3.55Å; Y192-I194 HydrophobicContact CD1-CB 4.25Å; Y192-I194 HydrophobicContact CE1-CB 3.73Å; Y192-I194 HydrophobicContact CE1-CG1 4.43Å; Y192-I194 HydrophobicContact CE2-CD1 4.27Å; Y192-I194 HydrophobicContact CE2-CG1 4.48Å; I194-A204 HydrophobicContact CD1-CB 3.92Å; I194-A204 HydrophobicContact CG1-CB 4.28Å; I194-A204 HydrophobicContact CG2-CB 3.56Å; I194-P207 HydrophobicContact CD1-CG 4.21Å; I194-P207 HydrophobicContact CG1-CG 4.1Å
195K93.6Very high91.6Very high137 Ų13759.8 Ų59.860%0.59633%0.334SS*.  trans-60.5132.2177.3-178.4177.5177.4-178.30110.4S114 Y183 T193 C197S114-K195 PolarHBondContact OG-O 2.7Å; Y183-K195 HydrophobicContact CD1-CG 4.43Å; Y183-K195 HydrophobicContact CD2-CB 4.29Å; Y183-K195 HydrophobicContact CE1-CB 3.98Å; Y183-K195 HydrophobicContact CE1-CG 3.78Å; Y183-K195 HydrophobicContact CE2-CB 3.73Å; Y183-K195 HydrophobicContact CE2-CG 4.44Å; T193-K195 PolarHBondContact O-N 3.02Å; K195-C197 PolarHBondContact O-N 3.07Å; K195-C197 VanDerWaalsContact O-N 3.15Å
196P92.1Very high91.8Very high62 Ų6261 Ų6140%0.40334%0.34SS..SBendtrans-53.5116.3172.9-28.536.3000112.3S114S114-P196 VanDerWaalsContact OG-CA 3.28Å; S114-P196 WeakPolarHBondContact OG-CA 3.43Å
197C89.7Confident92.3Very high36 Ų3655.7 Ų55.724%0.24331%0.313CS..  trans-163.969.5176.9-172.50000110S114 N115 K195 T199 C200S114-C197 PolarHBondContact OG-N 3.32Å; N115-C197 VanDerWaalsContact CB-O 3.3Å; N115-C197 WeakPolarHBondContact CB-O 3.21Å; K195-C197 PolarHBondContact O-N 3.07Å; K195-C197 VanDerWaalsContact O-N 3.15Å; C197-T199 PolarHBondContact O-N 3.29Å; C197-T199 VanDerWaalsContact O-N 3.1Å; C197-C200 HydrophobicContact CB-CB 3.89Å; C197-C200 WeakPolarHBondContact CB-SG 3.32Å; C197-C200 WeakPolarHBondContact O-CB 3.21Å; C197-C200 PolarHBondContact O-N 2.99Å; C197-C200 VanDerWaalsContact O-N 3.1Å; C197-C200 VanDerWaalsContact SG-CA 3.55Å; C197-C200 WeakPolarHBondContact SG-CB 3.5Å; C197-C200 PolarHBondContact SG-N 2.95Å; C197-C200 VanDerWaalsContact SG-N 3.44Å; C197-C200 CovalentContact SG-SG 2.03Å; C197-C200 PolarHBondContact SG-SG 3.46Å
198P80.3Confident92.6Very high22 Ų2259.4 Ų59.414%0.14332%0.324CS..THydrogen-bonded Turntrans-57-32.3-173.622.7-34000113.9Y52 R63Y52-P198 HydrophobicContact CD1-CB 4.06Å; Y52-P198 HydrophobicContact CD1-CG 4.28Å; Y52-P198 HydrophobicContact CD2-CB 4.49Å; Y52-P198 HydrophobicContact CD2-CG 4Å; Y52-P198 HydrophobicContact CE1-CB 3.44Å; Y52-P198 VanDerWaalsContact CE1-CB 3.44Å; Y52-P198 HydrophobicContact CE1-CG 4Å; Y52-P198 HydrophobicContact CE2-CB 3.95Å; Y52-P198 HydrophobicContact CE2-CG 3.71Å; Y52-P198 HydrophobicContact CG-CG 4.3Å; Y52-P198 WeakPolarHBondContact O-CG 3.24Å; R63-P198 PolarHBondContact NH2-O 3.37Å
199T83.9Confident92.6Very high50 Ų5060.6 Ų60.631%0.30733%0.332SS..THydrogen-bonded Turntrans-95.55-176.160.80000114.1K54 A56 C197 V201K54-T199 VanDerWaalsContact O-CG2 3.25Å; K54-T199 WeakPolarHBondContact O-CG2 3.27Å; A56-T199 HydrophobicContact CB-CG2 3.79Å; C197-T199 PolarHBondContact O-N 3.29Å; C197-T199 VanDerWaalsContact O-N 3.1Å; T199-V201 PolarHBondContact O-N 2.66Å
200C87.2Confident92.6Very high45 Ų4565.1 Ų65.130%0.30435%0.353SS..  trans-53.8136.7171.8-90.80000110.7R63 N115 C197 N202R63-C200 PolarHBondContact NH1-O 3.47Å; R63-C200 VanDerWaalsContact NH1-O 3.12Å; R63-C200 PolarHBondContact NH2-O 2.95Å; N115-C200 HydrophobicContact CB-CB 4.15Å; C197-C200 HydrophobicContact CB-CB 3.89Å; C197-C200 WeakPolarHBondContact CB-SG 3.32Å; C197-C200 WeakPolarHBondContact O-CB 3.21Å; C197-C200 PolarHBondContact O-N 2.99Å; C197-C200 VanDerWaalsContact O-N 3.1Å; C197-C200 VanDerWaalsContact SG-CA 3.55Å; C197-C200 WeakPolarHBondContact SG-CB 3.5Å; C197-C200 PolarHBondContact SG-N 2.95Å; C197-C200 VanDerWaalsContact SG-N 3.44Å; C197-C200 CovalentContact SG-SG 2.03Å; C197-C200 PolarHBondContact SG-SG 3.46Å; C200-N202 PolarHBondContact O-N 3.11Å
201V82.7Confident92.5Very high118 Ų11872 Ų7272%0.71539%0.385SS*.SBendtrans-59-50.8-176.8179.40000110.6R63 T199R63-V201 PolarHBondContact NH1-O 2.87Å; R63-V201 VanDerWaalsContact NH1-O 3.08Å; T199-V201 PolarHBondContact O-N 2.66Å
202N86.7Confident92.4Very high125 Ų12576 Ų7667%0.66840%0.402SS*.SBendtrans-85.5144.6-177.3-63.1-26.5000111.8R63 N115 C200R63-N202 VanDerWaalsContact NH1-C 3.34Å; R63-N202 PolarHBondContact NH1-O 3.45Å; N115-N202 PolarHBondContact ND2-O 3.41Å; C200-N202 PolarHBondContact O-N 3.11Å
203T88.3Confident92.4Very high75 Ų7576.3 Ų76.346%0.4641%0.405SS..PPolyproline II helixtrans-63.6136.6165.5-54.60000109.4R63 C160 E205R63-T203 WeakPolarHBondContact CD-OG1 3.32Å; R63-T203 HydrophobicContact CG-CG2 4.13Å; C160-T203 HydrophobicContact CB-CG2 4.26Å; T203-E205 PolarHBondContact O-N 2.85Å
204A92.6Very high92.3Very high17 Ų1774.2 Ų74.214%0.1440%0.396CS..PPolyproline II helixtrans-60.5136.8170.500000110N115 C116 C160 I194N115-A204 PolarHBondContact ND2-N 3.41Å; N115-A204 PolarHBondContact O-N 3Å; C116-A204 HydrophobicContact CB-CB 4.3Å; C160-A204 WeakPolarHBondContact CB-O 3.2Å; I194-A204 HydrophobicContact CD1-CB 3.92Å; I194-A204 HydrophobicContact CG1-CB 4.28Å; I194-A204 HydrophobicContact CG2-CB 3.56Å
205E94.4Very high92.2Very high178 Ų17880.8 Ų80.883%0.83243%0.431SS*.PPolyproline II helixtrans-63.8138.8170.6-65.6-173.6176.300109.6T203 P207T203-E205 PolarHBondContact O-N 2.85Å; E205-P207 VanDerWaalsContact O-CD 3.25Å; E205-P207 WeakPolarHBondContact O-CD 3.13Å
206T97.1Very high92.1Very high54 Ų5478 Ų7833%0.33144%0.441SS..PPolyproline II helixtrans-59.4120.3172.4-63.20000108.9V150 D158 C160V150-T206 HydrophobicContact CG1-CG2 4.15Å; D158-T206 PolarHBondContact O-OG1 3.16Å; C160-T206 PolarHBondContact N-OG1 2.89Å
207P97.2Very high92.3Very high20 Ų2077.8 Ų77.813%0.1343%0.433CS..PPolyproline II helixtrans-58.2146.7179.5-25.835.3000112E147 S151 T193 I194 E205E147-P207 WeakPolarHBondContact OE1-CB 3.38Å; E147-P207 VanDerWaalsContact OE1-CG 3.29Å; E147-P207 WeakPolarHBondContact OE1-CG 3.35Å; S151-P207 WeakPolarHBondContact CB-O 3.48Å; T193-P207 VanDerWaalsContact OG1-CG 3.31Å; T193-P207 WeakPolarHBondContact OG1-CG 3.43Å; I194-P207 HydrophobicContact CD1-CG 4.21Å; I194-P207 HydrophobicContact CG1-CG 4.1Å; E205-P207 VanDerWaalsContact O-CD 3.25Å; E205-P207 WeakPolarHBondContact O-CD 3.13Å
208K97.4Very high92.6Very high178 Ų17885.8 Ų85.877%0.77446%0.463SS*.PPolyproline II helixtrans-68.5137.3176.9-66.9-179.1-178.8176.30110Q210K208-Q210 PolarHBondContact O-N 2.83Å; K208-Q210 VanDerWaalsContact O-N 3.13Å
209C97.8Very high93.3Very high27 Ų2787.3 Ų87.318%0.18247%0.472CS..PPolyproline II helixtrans-61.6116.3173.6-179.20000110.7S151 C152S151-C209 WeakPolarHBondContact O-CB 3.22Å; C152-C209 VanDerWaalsContact CA-SG 3.58Å; C152-C209 HydrophobicContact CB-CB 3.98Å; C152-C209 WeakPolarHBondContact CB-SG 3.3Å; C152-C209 WeakPolarHBondContact SG-CA 3.43Å; C152-C209 WeakPolarHBondContact SG-CB 3.47Å; C152-C209 CovalentContact SG-SG 2.04Å; C152-C209 PolarHBondContact SG-SG 3.27Å
210Q96.7Very high93.9Very high95 Ų9588.6 Ų88.644%0.44448%0.482SS..PPolyproline II helixtrans-90.7143.6172.3-63.2-62.1-14.400111.4K190 K208 H212K190-Q210 WeakPolarHBondContact CE-O 3.27Å; K190-Q210 PolarHBondContact NZ-O 3.29Å; K208-Q210 PolarHBondContact O-N 2.83Å; K208-Q210 VanDerWaalsContact O-N 3.13Å; Q210-H212 PolarHBondContact OE1-CE1 2.79Å
211H96Very high94.4Very high154 Ų15487.3 Ų87.371%0.71347%0.472SS*.SBendtrans-103.414.5177.3-66-68.4000113.5L221H211-L221 WeakPolarHBondContact O-CD2 3.4Å
212H96.1Very high95Very high104 Ų10486.6 Ų86.648%0.48147%0.472SS..SBendtrans-135.3165.5173.851.5-81.5000109.6Q210Q210-H212 PolarHBondContact OE1-CE1 2.79Å
213C97.4Very high95.5Very high14 Ų1483.9 Ų83.910%0.09547%0.467CS..PPolyproline II helixtrans-77.4163.9170.3-63.60000110.6C189 Y217 V219 L221C189-C213 HydrophobicContact CB-CB 3.81Å; C189-C213 WeakPolarHBondContact CB-SG 3.25Å; C189-C213 CarbonylContact O-C 3.41Å; C189-C213 WeakPolarHBondContact O-CA 3.43Å; C189-C213 VanDerWaalsContact SG-CA 3.51Å; C189-C213 WeakPolarHBondContact SG-CB 3.37Å; C189-C213 CovalentContact SG-SG 2.04Å; C189-C213 PolarHBondContact SG-SG 3.31Å; C213-Y217 HydrophobicContact CB-CD1 3.73Å; C213-Y217 HydrophobicContact CB-CG 4.44Å; C213-V219 PolarHBondContact SG-O 2.03Å; C213-L221 VanDerWaalsContact SG-CA 3.57Å; C213-L221 PolarHBondContact SG-N 2.86Å
214A95.8Very high95.9Very high35 Ų3580.6 Ų80.629%0.28945%0.446SS..PPolyproline II helixtrans-54.1146.2175.300000112C189 P191 G216 Y217C189-A214 PolarHBondContact O-N 2.88Å; P191-A214 HydrophobicContact CG-CB 4.36Å; A214-G216 PolarHBondContact O-N 3.04Å; A214-Y217 VanDerWaalsContact O-CB 3.3Å; A214-Y217 WeakPolarHBondContact O-CB 3.45Å; A214-Y217 PolarHBondContact O-N 3.13Å
215D93.3Very high96.2Very high151 Ų15182.4 Ų82.481%0.80745%0.45SS*.THydrogen-bonded Turntrans-55.2135-179-64.8-32.5000111.4Y217D215-Y217 VanDerWaalsContact C-N 3.29Å; D215-Y217 PolarHBondContact O-N 2.68Å
216G92.3Very high96.4Very high78 Ų7876.4 Ų76.480%0.80442%0.42SS*.THydrogen-bonded Turntrans83.8-11.5-17700000115.3A214 K218A214-G216 PolarHBondContact O-N 3.04Å; G216-K218 PolarHBondContact O-N 3.03Å
217Y96Very high96.3Very high58 Ų5876.2 Ų76.223%0.22741%0.414CS..  trans-75.7121.8172.2-170-111000110.9C189 C213 A214 D215 V219 D224C189-Y217 HydrophobicContact CB-CD1 3.89Å; C189-Y217 HydrophobicContact CB-CE1 3.65Å; C213-Y217 HydrophobicContact CB-CD1 3.73Å; C213-Y217 HydrophobicContact CB-CG 4.44Å; A214-Y217 VanDerWaalsContact O-CB 3.3Å; A214-Y217 WeakPolarHBondContact O-CB 3.45Å; A214-Y217 PolarHBondContact O-N 3.13Å; D215-Y217 VanDerWaalsContact C-N 3.29Å; D215-Y217 PolarHBondContact O-N 2.68Å; Y217-V219 HydrophobicContact CD1-CB 4.22Å; Y217-V219 VanDerWaalsContact CD1-O 3.32Å; Y217-V219 WeakPolarHBondContact CD1-O 3.46Å; Y217-V219 HydrophobicContact CE1-CB 3.58Å; Y217-V219 HydrophobicContact CE1-CG2 4.23Å; Y217-V219 PolarHBondContact O-N 3.44Å; Y217-D224 HydrophobicContact CE1-CB 4.41Å; Y217-D224 PolarHBondContact OH-OD1 2.79Å
218K95Very high96.1Very high203 Ų20375.3 Ų75.388%0.88341%0.409SS*.  trans-78.5-20-168.1-63-176.3179.7-178.50114.9G216G216-K218 PolarHBondContact O-N 3.03Å
219V96.3Very high95.5Very high54 Ų5470.1 Ų70.133%0.32739%0.386SS..SBendtrans-91.6125.8-176-176.50000109C213 Y217 A223 D224C213-V219 PolarHBondContact SG-O 2.03Å; Y217-V219 HydrophobicContact CD1-CB 4.22Å; Y217-V219 VanDerWaalsContact CD1-O 3.32Å; Y217-V219 WeakPolarHBondContact CD1-O 3.46Å; Y217-V219 HydrophobicContact CE1-CB 3.58Å; Y217-V219 HydrophobicContact CE1-CG2 4.23Å; Y217-V219 PolarHBondContact O-N 3.44Å; V219-A223 HydrophobicContact CG1-CB 3.87Å; V219-D224 HydrophobicContact CG1-CB 4.01Å
220P96.5Very high93.9Very high78 Ų7871.3 Ų71.351%0.50639%0.391SS..  trans-67.2150.1179.227.4-33.8000111.3S222 A223 D224P220-S222 PolarHBondContact O-N 3.44Å; P220-S222 VanDerWaalsContact O-N 3.08Å; P220-A223 HydrophobicContact CG-CB 3.91Å; P220-A223 PolarHBondContact O-N 3.1Å; P220-D224 PolarHBondContact O-N 3.1Å; P220-D224 VanDerWaalsContact O-N 3.12Å
221L97.5Very high91.9Very high18 Ų1867.4 Ų67.49%0.09437%0.372CS..THydrogen-bonded Turntrans-53.8-34.3-177.4177.361.4000113.3P178 C189 H211 C213 A223 R225P178-L221 HydrophobicContact CB-CD1 3.85Å; P178-L221 HydrophobicContact CG-CD1 3.81Å; C189-L221 VanDerWaalsContact SG-CD1 3.55Å; H211-L221 WeakPolarHBondContact O-CD2 3.4Å; C213-L221 VanDerWaalsContact SG-CA 3.57Å; C213-L221 PolarHBondContact SG-N 2.86Å; L221-A223 VanDerWaalsContact C-N 3.33Å; L221-A223 PolarHBondContact O-N 3.15Å; L221-R225 WeakPolarHBondContact O-CG 3.46Å
222S95.6Very high89.4Confident102 Ų10265.3 Ų65.371%0.71337%0.365SS*.THydrogen-bonded Turntrans-66.1-33177.652.60000113.3P220P220-S222 PolarHBondContact O-N 3.44Å; P220-S222 VanDerWaalsContact O-N 3.08Å
223A96.5Very high86.9Confident69 Ų6967.3 Ų67.357%0.5737%0.369SS*.THydrogen-bonded Turntrans-87.6-22179.900000113V219 P220 L221 R225V219-A223 HydrophobicContact CG1-CB 3.87Å; P220-A223 HydrophobicContact CG-CB 3.91Å; P220-A223 PolarHBondContact O-N 3.1Å; L221-A223 VanDerWaalsContact C-N 3.33Å; L221-A223 PolarHBondContact O-N 3.15Å; A223-R225 VanDerWaalsContact C-N 3.34Å
224D97.5Very high84.1Confident5 Ų567.9 Ų67.93%0.02737%0.371CS..SBendtrans-884.8-178.4-156.668000113.6P178 T179 C189 Y217 V219 P220 Y226P178-D224 VanDerWaalsContact CA-O 3.23Å; P178-D224 WeakPolarHBondContact CA-O 3.49Å; P178-D224 HydrophobicContact CB-CB 4.39Å; T179-D224 VanDerWaalsContact CB-OD2 3.31Å; T179-D224 WeakPolarHBondContact CB-OD2 3.38Å; T179-D224 WeakPolarHBondContact CG2-OD2 3.3Å; T179-D224 PolarHBondContact N-OD2 3.4Å; T179-D224 PolarHBondContact OG1-OD2 2.75Å; C189-D224 HydrophobicContact CB-CB 4.22Å; C189-D224 WeakPolarHBondContact CB-OD2 3.14Å; Y217-D224 HydrophobicContact CE1-CB 4.41Å; Y217-D224 PolarHBondContact OH-OD1 2.79Å; V219-D224 HydrophobicContact CG1-CB 4.01Å; P220-D224 PolarHBondContact O-N 3.1Å; P220-D224 VanDerWaalsContact O-N 3.12Å; D224-Y226 WeakPolarHBondContact O-CD2 3.27Å; D224-Y226 VanDerWaalsContact O-CE2 3.26Å; D224-Y226 WeakPolarHBondContact O-CE2 3.48Å
225R97.7Very high81.5Confident56 Ų5667.5 Ų67.521%0.21136%0.363CS..  trans-84.2123.1-176.7-81170.8-177.3-67.7-9.4113.1E148 R175 G176 L221 A223 F227E148-R225 IonicContact OE1-CZ 3.56Å; E148-R225 VanDerWaalsContact OE1-CZ 3.24Å; E148-R225 IonicContact OE1-NH1 2.68Å; E148-R225 PolarHBondContact OE1-NH1 3.14Å; E148-R225 IonicContact OE1-NH2 3.49Å; E148-R225 PolarHBondContact OE1-NH2 2.94Å; R175-R225 WeakPolarHBondContact O-CD 3.3Å; R175-R225 PolarHBondContact O-NH1 2.61Å; G176-R225 PolarHBondContact O-NH1 2.6Å; L221-R225 WeakPolarHBondContact O-CG 3.46Å; A223-R225 VanDerWaalsContact C-N 3.34Å; R225-F227 HydrophobicContact CB-CD2 4.5Å; R225-F227 HydrophobicContact CB-CE2 3.71Å; R225-F227 HydrophobicContact CB-CZ 4.02Å; R225-F227 WeakPolarHBondContact O-CD2 3.23Å; R225-F227 WeakPolarHBondContact O-CE2 3.17Å
226Y98Very high79Confident51 Ų5165.9 Ų65.920%0.236%0.355CS..BIsolated β-bridgetrans-102.1134.4173.8-63.9-100.3000109.8Y132 P142 L144 W172 G176 V177 T179 D224Y132-Y226 AromaticContact CD1-CD1 3.95Å; Y132-Y226 HydrophobicContact CD1-CD1 3.95Å; Y132-Y226 HydrophobicContact CD1-CE1 4.43Å; Y132-Y226 HydrophobicContact CD2-CD1 4.16Å; Y132-Y226 AromaticContact CE1-CD1 3.57Å; Y132-Y226 HydrophobicContact CE1-CD1 3.57Å; Y132-Y226 HydrophobicContact CE1-CE1 4.01Å; Y132-Y226 AromaticContact CE2-CD1 3.82Å; Y132-Y226 HydrophobicContact CE2-CD1 3.82Å; Y132-Y226 HydrophobicContact CE2-CG 4.36Å; Y132-Y226 HydrophobicContact CG-CD1 4.23Å; Y132-Y226 AromaticContact CZ-CD1 3.51Å; P142-Y226 HydrophobicContact CB-CD1 3.89Å; P142-Y226 HydrophobicContact CB-CD2 4.08Å; P142-Y226 HydrophobicContact CB-CE1 3.73Å; P142-Y226 HydrophobicContact CB-CE2 3.95Å; P142-Y226 HydrophobicContact CB-CG 4.08Å; P142-Y226 HydrophobicContact CG-CD1 3.73Å; P142-Y226 HydrophobicContact CG-CE1 3.84Å; P142-Y226 HydrophobicContact CG-CG 4.19Å; L144-Y226 HydrophobicContact CD2-CD2 3.66Å; L144-Y226 HydrophobicContact CD2-CG 3.78Å; W172-Y226 PolarHBondContact NE1-O 2.99Å; G176-Y226 CarbonylContact C-O 3.52Å; G176-Y226 WeakPolarHBondContact CA-O 3.46Å; V177-Y226 PolarHBondContact N-O 3.31Å; V177-Y226 PolarHBondContact O-N 3.15Å; T179-Y226 HydrophobicContact CG2-CD2 4.44Å; T179-Y226 HydrophobicContact CG2-CE2 3.73Å; D224-Y226 WeakPolarHBondContact O-CD2 3.27Å; D224-Y226 VanDerWaalsContact O-CE2 3.26Å; D224-Y226 WeakPolarHBondContact O-CE2 3.48Å
227F96.6Very high76.7Confident50 Ų5071.5 Ų71.522%0.21935%0.352CS..EExtended strand (participates in β ladder)trans-113.4146.9-170.8-68.5-97000112.9R175 R225 R355R175-F227 VanDerWaalsContact C-CE1 3.45Å; R225-F227 HydrophobicContact CB-CD2 4.5Å; R225-F227 HydrophobicContact CB-CE2 3.71Å; R225-F227 HydrophobicContact CB-CZ 4.02Å; R225-F227 WeakPolarHBondContact O-CD2 3.23Å; R225-F227 WeakPolarHBondContact O-CE2 3.17Å; F227-R355 HydrophobicContact CB-CB 4.2Å; F227-R355 WeakPolarHBondContact O-CB 3.49Å; F227-R355 PolarHBondContact O-N 3.13Å
228G92.5Very high74.3Confident2 Ų272.7 Ų72.72%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-87.3171162.900000111.9W172 R353W172-G228 VanDerWaalsContact CD2-CA 3.45Å; W172-G228 VanDerWaalsContact CE2-N 3.27Å; W172-G228 PolarHBondContact O-N 3.1Å; W172-G228 VanDerWaalsContact O-N 3.14Å; G228-R353 CarbonylContact C-O 3.59Å; G228-R353 WeakPolarHBondContact CA-O 3.38Å
229K85.5Confident71.7Confident68 Ų6866.2 Ų66.230%0.29634%0.336SS..PPolyproline II helixtrans-86.2138.4165-61.1-170.2-175.8-175.80110E252 R353 R355K229-E252 WeakPolarHBondContact CB-O 3.37Å; K229-E252 HydrophobicContact CD-CB 4.15Å; K229-E252 IonicContact NZ-OE2 3.74Å; K229-E252 PolarHBondContact NZ-OE2 3.44Å; K229-R353 HydrophobicContact CD-CB 4.19Å; K229-R353 HydrophobicContact CG-CB 4.38Å; K229-R353 PolarHBondContact N-O 3.17Å; K229-R355 HydrophobicContact CG-CB 4.12Å
230L62.4Low68.9Low52 Ų5272.6 Ų72.627%0.27236%0.36SS..PPolyproline II helixtrans-95.2129-175.9-17563.4000112.1A173 T174 L235A173-L230 HydrophobicContact CB-CB 3.77Å; A173-L230 HydrophobicContact CB-CD1 3.75Å; A173-L230 HydrophobicContact CB-CG 4.35Å; T174-L230 HydrophobicContact CG2-CD1 3.98Å; T174-L230 HydrophobicContact CG2-CD2 4.02Å; L230-L235 HydrophobicContact CD1-CD1 4.23Å; L230-L235 HydrophobicContact CD2-CD1 3.88Å; L230-L235 HydrophobicContact CG-CD1 4.36Å
231Y55.5Low66.2Low14 Ų1478 Ų786%0.05538%0.376CS..PPolyproline II helixtrans-88.5122.6163.6-165.6-169.5000111.7P77 R233 K253 G254P77-Y231 HydrophobicContact CB-CD1 4.27Å; P77-Y231 HydrophobicContact CB-CE1 3.53Å; P77-Y231 HydrophobicContact CG-CD1 3.82Å; P77-Y231 HydrophobicContact CG-CE1 3.6Å; Y231-R233 VanDerWaalsContact C-N 3.27Å; Y231-R233 HydrophobicContact CD1-CB 4.13Å; Y231-R233 HydrophobicContact CD2-CB 4.21Å; Y231-R233 HydrophobicContact CD2-CG 4.38Å; Y231-R233 HydrophobicContact CE1-CB 3.82Å; Y231-R233 HydrophobicContact CE1-CG 4.34Å; Y231-R233 HydrophobicContact CE2-CB 3.78Å; Y231-R233 HydrophobicContact CE2-CG 3.61Å; Y231-R233 HydrophobicContact CG-CB 4.38Å; Y231-R233 PolarHBondContact O-N 3.03Å; Y231-R233 VanDerWaalsContact OH-CD 3.29Å; Y231-R233 WeakPolarHBondContact OH-CD 3.15Å; Y231-K253 VanDerWaalsContact CB-CA 3.41Å; Y231-K253 VanDerWaalsContact CB-CB 3.46Å; Y231-K253 HydrophobicContact CD1-CB 3.59Å; Y231-K253 HydrophobicContact CD1-CD 4.03Å; Y231-K253 HydrophobicContact CD1-CG 3.95Å; Y231-K253 HydrophobicContact CD2-CB 3.61Å; Y231-K253 HydrophobicContact CD2-CD 3.43Å; Y231-K253 VanDerWaalsContact CD2-CD 3.43Å; Y231-K253 HydrophobicContact CD2-CG 3.12Å; Y231-K253 HydrophobicContact CE1-CB 4.07Å; Y231-K253 HydrophobicContact CE1-CD 3.64Å; Y231-K253 HydrophobicContact CE1-CG 4.1Å; Y231-K253 HydrophobicContact CE2-CB 4.18Å; Y231-K253 HydrophobicContact CE2-CD 3.08Å; Y231-K253 HydrophobicContact CE2-CG 3.41Å; Y231-K253 VanDerWaalsContact CE2-CG 3.41Å; Y231-K253 VanDerWaalsContact CE2-NZ 3.29Å; Y231-K253 HydrophobicContact CG-CB 3.27Å; Y231-K253 HydrophobicContact CG-CD 3.91Å; Y231-K253 HydrophobicContact CG-CG 3.43Å; Y231-K253 VanDerWaalsContact CG-CG 3.43Å; Y231-K253 VanDerWaalsContact CZ-NZ 3.31Å; Y231-K253 WeakPolarHBondContact OH-CD 3.2Å; Y231-K253 WeakPolarHBondContact OH-CE 3.44Å; Y231-K253 PolarHBondContact OH-NZ 3.12Å; Y231-G254 WeakPolarHBondContact CB-O 3.48Å; Y231-G254 WeakPolarHBondContact CD1-O 3.43Å
232L44.1Very low63.3Low109 Ų10979.4 Ų79.457%0.57139%0.391SS*.G310 helixtrans-64.9-20177-77.2159.1000115.2L234 L235 D236L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.31Å; L232-L235 WeakPolarHBondContact O-CB 3.28Å; L232-L235 PolarHBondContact O-N 2.98Å; L232-L235 VanDerWaalsContact O-N 3.12Å; L232-D236 PolarHBondContact O-N 3.1Å
233R43.3Very low60.3Low146 Ų14686.4 Ų86.455%0.55140%0.401SS*.G310 helixtrans-77.7-14.4-177.2-70.8-163.9-174.6175.2-5.4114.8P77 Y231 L235P77-R233 HydrophobicContact CB-CB 3.48Å; P77-R233 VanDerWaalsContact CB-CB 3.48Å; P77-R233 HydrophobicContact CB-CG 4.35Å; P77-R233 HydrophobicContact CG-CB 3.14Å; P77-R233 HydrophobicContact CG-CG 4.43Å; P77-R233 WeakPolarHBondContact CG-O 3.3Å; Y231-R233 VanDerWaalsContact C-N 3.27Å; Y231-R233 HydrophobicContact CD1-CB 4.13Å; Y231-R233 HydrophobicContact CD2-CB 4.21Å; Y231-R233 HydrophobicContact CD2-CG 4.38Å; Y231-R233 HydrophobicContact CE1-CB 3.82Å; Y231-R233 HydrophobicContact CE1-CG 4.34Å; Y231-R233 HydrophobicContact CE2-CB 3.78Å; Y231-R233 HydrophobicContact CE2-CG 3.61Å; Y231-R233 HydrophobicContact CG-CB 4.38Å; Y231-R233 PolarHBondContact O-N 3.03Å; Y231-R233 VanDerWaalsContact OH-CD 3.29Å; Y231-R233 WeakPolarHBondContact OH-CD 3.15Å; R233-L235 VanDerWaalsContact C-N 3.27Å
234L39.2Very low57.5Low26 Ų2689.5 Ų89.514%0.13641%0.413CS..G310 helixtrans-70.9-29.3167.5-93.6157.3000111.1T76 V170 L232 L238T76-L234 HydrophobicContact CG2-CD2 4.34Å; V170-L234 HydrophobicContact CG2-CD1 3.91Å; L232-L234 VanDerWaalsContact C-N 3.34Å; L232-L234 PolarHBondContact O-N 3.31Å; L234-L238 WeakPolarHBondContact O-CD1 3.39Å
235L40.4Very low54.9Low27 Ų2795.6 Ų95.614%0.14144%0.443CS..Hα-helixtrans-77.7-36.9177.9-94.8132000111.5L230 L232 R233 R237 L238 L239L230-L235 HydrophobicContact CD1-CD1 4.23Å; L230-L235 HydrophobicContact CD2-CD1 3.88Å; L230-L235 HydrophobicContact CG-CD1 4.36Å; L232-L235 WeakPolarHBondContact O-CB 3.28Å; L232-L235 PolarHBondContact O-N 2.98Å; L232-L235 VanDerWaalsContact O-N 3.12Å; R233-L235 VanDerWaalsContact C-N 3.27Å; L235-R237 PolarHBondContact O-N 2.91Å; L235-L238 CarbonylContact O-C 3.48Å; L235-L238 PolarHBondContact O-N 2.81Å; L235-L239 HydrophobicContact CB-CD1 3.57Å; L235-L239 HydrophobicContact CB-CG 3.73Å; L235-L239 HydrophobicContact CD2-CD1 3.88Å; L235-L239 HydrophobicContact CD2-CD2 3.43Å; L235-L239 VanDerWaalsContact CD2-CD2 3.43Å; L235-L239 HydrophobicContact CD2-CG 3.49Å; L235-L239 VanDerWaalsContact CD2-CG 3.49Å; L235-L239 HydrophobicContact CG-CD1 4.34Å; L235-L239 HydrophobicContact CG-CG 4.17Å; L235-L239 WeakPolarHBondContact O-CA 3.37Å; L235-L239 WeakPolarHBondContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.47Å; L235-L239 PolarHBondContact O-N 3.08Å
236D41.3Very low52.1Low117 Ų11799.1 Ų99.163%0.62647%0.473SS*.Hα-helixtrans-60.2-17.5-177.7-75.3-26.5000115.9L232L232-D236 PolarHBondContact O-N 3.1Å
237R42.5Very low49.1Very low196 Ų196107.9 Ų107.974%0.7451%0.506SS*.Hα-helixtrans-105.4-14.2170.7-73.8-171.5174.2-133.71.2114.7S75 L235S75-R237 PolarHBondContact OG-NH1 3.39Å; L235-R237 PolarHBondContact O-N 2.91Å
238L45.7Very low46.2Very low83 Ų83112.5 Ų112.544%0.43553%0.533SS..Hα-helixtrans-96.6-11.5172.3-80.7159.6000112.6M167 L234 L235 F240M167-L238 HydrophobicContact CE-CD1 4.32Å; M167-L238 HydrophobicContact SD-CD1 4.17Å; L234-L238 WeakPolarHBondContact O-CD1 3.39Å; L235-L238 CarbonylContact O-C 3.48Å; L235-L238 PolarHBondContact O-N 2.81Å; L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 2.88Å
239L40.5Very low43.7Very low67 Ų67121.1 Ų121.135%0.35157%0.572SS.*THydrogen-bonded Turntrans-84.916.3-173-85.3176.9000115.4L235 F241 A242L235-L239 HydrophobicContact CB-CD1 3.57Å; L235-L239 HydrophobicContact CB-CG 3.73Å; L235-L239 HydrophobicContact CD2-CD1 3.88Å; L235-L239 HydrophobicContact CD2-CD2 3.43Å; L235-L239 VanDerWaalsContact CD2-CD2 3.43Å; L235-L239 HydrophobicContact CD2-CG 3.49Å; L235-L239 VanDerWaalsContact CD2-CG 3.49Å; L235-L239 HydrophobicContact CG-CD1 4.34Å; L235-L239 HydrophobicContact CG-CG 4.17Å; L235-L239 WeakPolarHBondContact O-CA 3.37Å; L235-L239 WeakPolarHBondContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CG 3.47Å; L235-L239 PolarHBondContact O-N 3.08Å; L239-F241 PolarHBondContact O-N 3.43Å; L239-A242 HydrophobicContact CD2-CB 3.86Å; L239-A242 WeakPolarHBondContact CD2-O 3.27Å
240F39Very low41.1Very low189 Ų189124.2 Ų124.283%0.82960%0.6SS**THydrogen-bonded Turntrans-68.4-12.6163.2-160.6-101.6000111.9L238L238-F240 VanDerWaalsContact C-N 3.33Å; L238-F240 PolarHBondContact O-N 2.88Å
241F39.4Very low39.8Very low190 Ų190124.1 Ų124.183%0.83361%0.611SS**SBendtrans-120.21-175.3-79.4-77.9000117.4L239L239-F241 PolarHBondContact O-N 3.43Å
242A36.6Very low39.2Very low49 Ų49126.7 Ų126.741%0.40562%0.623SS.*  trans-130.375.1179.100000113.2L239 T244L239-A242 HydrophobicContact CD2-CB 3.86Å; L239-A242 WeakPolarHBondContact CD2-O 3.27Å; A242-T244 VanDerWaalsContact C-N 3.31Å; A242-T244 PolarHBondContact O-N 2.85Å; A242-T244 VanDerWaalsContact O-N 3.09Å
243R33Very low39.6Very low249 Ų249123.7 Ų123.794%0.9461%0.606SS**  trans-74.583.4160.6-77.8-179.7170.6157.4-2.7108.9
244T37.4Very low39.7Very low133 Ų133117.2 Ų117.282%0.81658%0.584SS**  trans170.477.415539.20000110.6A242A242-T244 VanDerWaalsContact C-N 3.31Å; A242-T244 PolarHBondContact O-N 2.85Å; A242-T244 VanDerWaalsContact O-N 3.09Å
245M43.1Very low40.6Very low134 Ų134116.8 Ų116.866%0.6658%0.581SS**  trans-143.1138.2156.2-83.1-154.1-115.300111.4R247M245-R247 PolarHBondContact O-N 2.81Å
246P39.2Very low41.3Very low130 Ų130115.7 Ų115.784%0.84458%0.576SS**  trans-71.3130.1-177.4-5.421.5000110.5
247R34.7Very low42.3Very low234 Ų234110.1 Ų110.188%0.88355%0.546SS*.  trans-79.8121.2169.9-57.6178.1-164.11774107.5M245M245-R247 PolarHBondContact O-N 2.81Å
248N36Very low43.7Very low148 Ų148107.1 Ų107.179%0.79154%0.535SS*.  trans167.891.5148-85.2-18.2000110.6
249H39.2Very low45.4Very low182 Ų182106 Ų10684%0.84353%0.531SS*.  trans-161.1130.8149.6-79.4-38.3000110.3
250P31.8Very low47.8Very low134 Ų134105.4 Ų105.487%0.8753%0.526SS*.  trans-80.9117170.231.2-27.7000109.3
251G34.2Very low50.3Low50 Ų50103.3 Ų103.352%0.51552%0.517SS..  trans169.6110.1174.600000115.8
252E43.1Very low52.7Low67 Ų6795.2 Ų95.231%0.31348%0.482SS..  trans24.6151148-57.4174.316000123.4K229 R353K229-E252 WeakPolarHBondContact CB-O 3.37Å; K229-E252 HydrophobicContact CD-CB 4.15Å; K229-E252 IonicContact NZ-OE2 3.74Å; K229-E252 PolarHBondContact NZ-OE2 3.44Å; E252-R353 IonicContact OE1-NH1 2.8Å; E252-R353 PolarHBondContact OE1-NH1 3.3Å; E252-R353 IonicContact OE2-CZ 2.7Å; E252-R353 IonicContact OE2-NH1 2.76Å; E252-R353 PolarHBondContact OE2-NH1 3.28Å
253K52.5Low55.3Low47 Ų4792.9 Ų92.920%0.20446%0.463CS..  trans-113.4152.2-141.5-52.8174.6168-167.70112.9Y231 Y255Y231-K253 VanDerWaalsContact CB-CA 3.41Å; Y231-K253 VanDerWaalsContact CB-CB 3.46Å; Y231-K253 HydrophobicContact CD1-CB 3.59Å; Y231-K253 HydrophobicContact CD1-CD 4.03Å; Y231-K253 HydrophobicContact CD1-CG 3.95Å; Y231-K253 HydrophobicContact CD2-CB 3.61Å; Y231-K253 HydrophobicContact CD2-CD 3.43Å; Y231-K253 VanDerWaalsContact CD2-CD 3.43Å; Y231-K253 HydrophobicContact CD2-CG 3.12Å; Y231-K253 HydrophobicContact CE1-CB 4.07Å; Y231-K253 HydrophobicContact CE1-CD 3.64Å; Y231-K253 HydrophobicContact CE1-CG 4.1Å; Y231-K253 HydrophobicContact CE2-CB 4.18Å; Y231-K253 HydrophobicContact CE2-CD 3.08Å; Y231-K253 HydrophobicContact CE2-CG 3.41Å; Y231-K253 VanDerWaalsContact CE2-CG 3.41Å; Y231-K253 VanDerWaalsContact CE2-NZ 3.29Å; Y231-K253 HydrophobicContact CG-CB 3.27Å; Y231-K253 HydrophobicContact CG-CD 3.91Å; Y231-K253 HydrophobicContact CG-CG 3.43Å; Y231-K253 VanDerWaalsContact CG-CG 3.43Å; Y231-K253 VanDerWaalsContact CZ-NZ 3.31Å; Y231-K253 WeakPolarHBondContact OH-CD 3.2Å; Y231-K253 WeakPolarHBondContact OH-CE 3.44Å; Y231-K253 PolarHBondContact OH-NZ 3.12Å; K253-Y255 HydrophobicContact CB-CD1 4.45Å; K253-Y255 WeakPolarHBondContact O-CD1 3.46Å; K253-Y255 WeakPolarHBondContact O-CE1 3.42Å
254G45.4Very low58.2Low9 Ų981.9 Ų81.99%0.09342%0.422CS..  trans-83.2145.4146.900000110.5Y231 A351Y231-G254 WeakPolarHBondContact CB-O 3.48Å; Y231-G254 WeakPolarHBondContact CD1-O 3.43Å; G254-A351 VanDerWaalsContact CA-O 3.27Å; G254-A351 WeakPolarHBondContact CA-O 3.36Å
255Y57.1Low60.8Low17 Ų1777.5 Ų77.57%0.06739%0.391CS..EExtended strand (participates in β ladder)trans-154.7160.5-165.648.6-91.8000114V79 R131 K253 L257 D266 V350 A351V79-Y255 HydrophobicContact CG2-CD1 4.19Å; V79-Y255 HydrophobicContact CG2-CD2 3.24Å; V79-Y255 HydrophobicContact CG2-CE2 4.1Å; V79-Y255 HydrophobicContact CG2-CG 3.32Å; R131-Y255 PolarHBondContact NH1-OH 3.03Å; K253-Y255 HydrophobicContact CB-CD1 4.45Å; K253-Y255 WeakPolarHBondContact O-CD1 3.46Å; K253-Y255 WeakPolarHBondContact O-CE1 3.42Å; Y255-L257 HydrophobicContact CD2-CD1 4.45Å; Y255-L257 HydrophobicContact CD2-CD2 3.79Å; Y255-L257 HydrophobicContact CD2-CG 3.88Å; Y255-L257 HydrophobicContact CE2-CD1 4.03Å; Y255-L257 HydrophobicContact CE2-CD2 3.73Å; Y255-L257 HydrophobicContact CE2-CG 3.91Å; Y255-D266 WeakPolarHBondContact CE2-OD2 2.98Å; Y255-D266 PolarHBondContact OH-OD1 3.06Å; Y255-D266 PolarHBondContact OH-OD2 3.23Å; Y255-V350 WeakPolarHBondContact O-CA 3.37Å; Y255-A351 PolarHBondContact N-O 3.09Å; Y255-A351 PolarHBondContact O-N 3.48Å
256S56.2Low63.2Low5 Ų571.6 Ų71.64%0.03536%0.362CS..EExtended strand (participates in β ladder)trans-98.1137.3168.91670000110.6T76 V349T76-S256 WeakPolarHBondContact OG1-CB 3.29Å; S256-V349 VanDerWaalsContact CA-O 3.22Å; S256-V349 WeakPolarHBondContact CA-O 3.07Å
257L62.4Low65.9Low0 Ų065.4 Ų65.40%032%0.321CS..EExtended strand (participates in β ladder)trans-105.6127.6175.5-60.1161.3000107.2V79 Y255 E262 I263 D266 V273 V349V79-L257 HydrophobicContact CG2-CD2 4.25Å; Y255-L257 HydrophobicContact CD2-CD1 4.45Å; Y255-L257 HydrophobicContact CD2-CD2 3.79Å; Y255-L257 HydrophobicContact CD2-CG 3.88Å; Y255-L257 HydrophobicContact CE2-CD1 4.03Å; Y255-L257 HydrophobicContact CE2-CD2 3.73Å; Y255-L257 HydrophobicContact CE2-CG 3.91Å; L257-E262 HydrophobicContact CB-CB 4.42Å; L257-E262 HydrophobicContact CD2-CB 3.99Å; L257-I263 HydrophobicContact CB-CG1 3.58Å; L257-I263 HydrophobicContact CD1-CG1 4.5Å; L257-D266 HydrophobicContact CD1-CB 3.51Å; L257-D266 HydrophobicContact CD2-CB 3.91Å; L257-D266 HydrophobicContact CG-CB 4.38Å; L257-V273 HydrophobicContact CD1-CG1 3.89Å; L257-V349 HydrophobicContact CB-CB 4.2Å; L257-V349 HydrophobicContact CB-CG1 4.2Å; L257-V349 HydrophobicContact CD1-CG1 3.96Å; L257-V349 PolarHBondContact N-O 3.28Å
258R70.5Confident68.8Low133 Ų13358.1 Ų58.150%0.50230%0.295SS..  trans-118-10.9-168.2-67.6-172.7174.3-165-6114.4E262R258-E262 PolarHBondContact N-OE2 3.27Å
259T82.8Confident71.6Confident58 Ų5855.3 Ų55.336%0.35628%0.275SS..SBendtrans-123.9148.6178.265.30000109.5K261 E262 I263T259-K261 PolarHBondContact O-N 2.82Å; T259-E262 PolarHBondContact N-OE2 2.63Å; T259-E262 VanDerWaalsContact N-OE2 3.07Å; T259-E262 WeakPolarHBondContact O-CB 3.3Å; T259-E262 PolarHBondContact O-N 3.37Å; T259-E262 VanDerWaalsContact OG1-CB 3.3Å; T259-E262 WeakPolarHBondContact OG1-CB 3.37Å; T259-E262 VanDerWaalsContact OG1-CD 3.26Å; T259-E262 WeakPolarHBondContact OG1-CG 3.28Å; T259-E262 PolarHBondContact OG1-N 2.88Å; T259-E262 PolarHBondContact OG1-OE2 2.91Å; T259-I263 WeakPolarHBondContact O-CG1 3.01Å; T259-I263 PolarHBondContact O-N 3.27Å
260E91.2Very high74.2Confident55 Ų5548.8 Ų48.826%0.25725%0.245SC..Hα-helixtrans-45.5-49.4173.3-175.6-167.417200111.9E262 I263 M264 W318 R338E260-E262 PolarHBondContact O-N 2.85Å; E260-I263 PolarHBondContact O-N 3.46Å; E260-M264 HydrophobicContact CG-CG 4.48Å; E260-M264 HydrophobicContact CG-SD 3.99Å; E260-M264 VanDerWaalsContact O-CG 3.26Å; E260-M264 WeakPolarHBondContact O-CG 2.94Å; E260-M264 PolarHBondContact O-N 3.29Å; E260-W318 HydrophobicContact CG-CH2 4.33Å; E260-W318 HydrophobicContact CG-CZ2 3.92Å; E260-R338 HydrophobicContact CG-CG 3.89Å; E260-R338 WeakPolarHBondContact OE1-CG 3.07Å; E260-R338 IonicContact OE1-CZ 2.74Å; E260-R338 IonicContact OE1-NH1 3.47Å; E260-R338 PolarHBondContact OE1-NH1 3.08Å
261K91.2Very high77.3Confident146 Ų14642.4 Ų42.464%0.63520%0.204SC*.Hα-helixtrans-65.8-35.6179.8-70.3-175.4178.9178.80113.7T259 R265T259-K261 PolarHBondContact O-N 2.82Å; K261-R265 VanDerWaalsContact O-CB 3.23Å; K261-R265 WeakPolarHBondContact O-CB 3.36Å; K261-R265 PolarHBondContact O-N 2.79Å; K261-R265 VanDerWaalsContact O-N 3.09Å
262E88.5Confident80.4Confident19 Ų1940 Ų409%0.08918%0.179CC..Hα-helixtrans-64.9-46173.6-75.8166.4165.600109.9R78 V84 L257 R258 T259 E260 R265 D266R78-E262 IonicContact NE-OE1 2.6Å; R78-E262 IonicContact NH2-OE1 2.62Å; R78-E262 PolarHBondContact NH2-OE1 3.06Å; V84-E262 HydrophobicContact CG1-CB 4.3Å; V84-E262 HydrophobicContact CG1-CG 3.93Å; L257-E262 HydrophobicContact CB-CB 4.42Å; L257-E262 HydrophobicContact CD2-CB 3.99Å; R258-E262 PolarHBondContact N-OE2 3.27Å; T259-E262 PolarHBondContact N-OE2 2.63Å; T259-E262 VanDerWaalsContact N-OE2 3.07Å; T259-E262 WeakPolarHBondContact O-CB 3.3Å; T259-E262 PolarHBondContact O-N 3.37Å; T259-E262 VanDerWaalsContact OG1-CB 3.3Å; T259-E262 WeakPolarHBondContact OG1-CB 3.37Å; T259-E262 VanDerWaalsContact OG1-CD 3.26Å; T259-E262 WeakPolarHBondContact OG1-CG 3.28Å; T259-E262 PolarHBondContact OG1-N 2.88Å; T259-E262 PolarHBondContact OG1-OE2 2.91Å; E260-E262 PolarHBondContact O-N 2.85Å; E262-R265 PolarHBondContact O-N 2.99Å; E262-D266 WeakPolarHBondContact O-CB 3.24Å; E262-D266 PolarHBondContact O-N 3.14Å
263I91.1Very high82.9Confident0 Ų036.9 Ų36.90%016%0.164CC..Hα-helixtrans-60.5-52.7178.9-60.9161000110.9L257 T259 E260 R265 D266 I267 V273 W318 E346 V349L257-I263 HydrophobicContact CB-CG1 3.58Å; L257-I263 HydrophobicContact CD1-CG1 4.5Å; T259-I263 WeakPolarHBondContact O-CG1 3.01Å; T259-I263 PolarHBondContact O-N 3.27Å; E260-I263 PolarHBondContact O-N 3.46Å; I263-R265 VanDerWaalsContact C-N 3.34Å; I263-R265 PolarHBondContact O-N 3.32Å; I263-D266 PolarHBondContact O-N 2.83Å; I263-I267 HydrophobicContact CG2-CD1 3.77Å; I263-I267 HydrophobicContact CG2-CG1 4.48Å; I263-I267 WeakPolarHBondContact O-CG1 3.4Å; I263-I267 PolarHBondContact O-N 3.23Å; I263-V273 HydrophobicContact CG2-CG2 4.31Å; I263-W318 HydrophobicContact CB-CH2 3.73Å; I263-W318 HydrophobicContact CB-CZ2 4.11Å; I263-W318 HydrophobicContact CD1-CZ2 4.24Å; I263-W318 HydrophobicContact CG2-CH2 3.45Å; I263-W318 VanDerWaalsContact CG2-CH2 3.45Å; I263-W318 HydrophobicContact CG2-CZ2 3.94Å; I263-W318 HydrophobicContact CG2-CZ3 3.87Å; I263-E346 HydrophobicContact CD1-CB 3.91Å; I263-E346 HydrophobicContact CD1-CG 3.93Å; I263-V349 HydrophobicContact CD1-CB 4.31Å; I263-V349 HydrophobicContact CD1-CG2 3.68Å; I263-V349 HydrophobicContact CG1-CB 4.21Å; I263-V349 HydrophobicContact CG1-CG1 4.23Å; I263-V349 HydrophobicContact CG1-CG2 4.08Å; I263-V349 HydrophobicContact CG2-CG1 4.36Å
264M94.9Very high85Confident18 Ų1834.6 Ų34.69%0.08916%0.155CC..Hα-helixtrans-57.8-47179.2-65.5167.978.900111.4L91 E260 D266 I267 Y268 W310 W318L91-M264 HydrophobicContact CB-CE 4.32Å; L91-M264 HydrophobicContact CD1-CB 3.69Å; L91-M264 HydrophobicContact CD1-CE 4.34Å; L91-M264 HydrophobicContact CD1-SD 4.45Å; E260-M264 HydrophobicContact CG-CG 4.48Å; E260-M264 HydrophobicContact CG-SD 3.99Å; E260-M264 VanDerWaalsContact O-CG 3.26Å; E260-M264 WeakPolarHBondContact O-CG 2.94Å; E260-M264 PolarHBondContact O-N 3.29Å; M264-D266 VanDerWaalsContact C-N 3.32Å; M264-D266 PolarHBondContact O-N 2.87Å; M264-I267 PolarHBondContact O-N 3.07Å; M264-Y268 VanDerWaalsContact O-CB 3.3Å; M264-Y268 WeakPolarHBondContact O-CB 3.22Å; M264-Y268 PolarHBondContact O-N 3.16Å; M264-W310 HydrophobicContact CB-CD2 4.4Å; M264-W310 HydrophobicContact CB-CE3 4.21Å; M264-W310 HydrophobicContact CB-CH2 4.01Å; M264-W310 HydrophobicContact CB-CZ2 4.16Å; M264-W310 HydrophobicContact CB-CZ3 4.03Å; M264-W310 HydrophobicContact CE-CD2 3.98Å; M264-W310 VanDerWaalsContact CE-CE2 3.45Å; M264-W310 HydrophobicContact CE-CG 4.11Å; M264-W310 HydrophobicContact CE-CZ2 3.94Å; M264-W310 VanDerWaalsContact CE-NE1 3.25Å; M264-W310 HydrophobicContact CG-CD2 4.02Å; M264-W310 HydrophobicContact CG-CE3 4.12Å; M264-W310 HydrophobicContact CG-CG 4.5Å; M264-W310 HydrophobicContact CG-CZ3 4.45Å; M264-W310 VanDerWaalsContact O-CH2 3.29Å; M264-W310 WeakPolarHBondContact O-CH2 3.24Å; M264-W310 WeakPolarHBondContact O-CZ3 3.45Å; M264-W318 HydrophobicContact CB-CH2 4.48Å; M264-W318 HydrophobicContact CG-CH2 3.51Å; M264-W318 HydrophobicContact CG-CZ3 3.85Å
265R92.9Very high87.2Confident42 Ų4234.2 Ų34.216%0.15815%0.15CC..Hα-helixtrans-65.9-37.2-177.6-170.6178.3-74.7110.9-15.7111.9V84 L91 K261 E262 I263 Y268 K269V84-R265 HydrophobicContact CG1-CB 4.33Å; V84-R265 HydrophobicContact CG1-CG 4.46Å; V84-R265 WeakPolarHBondContact O-CD 3.21Å; V84-R265 VanDerWaalsContact O-CZ 3.32Å; V84-R265 PolarHBondContact O-NE 3.38Å; V84-R265 PolarHBondContact O-NH1 3.1Å; L91-R265 HydrophobicContact CD1-CB 4.26Å; L91-R265 HydrophobicContact CD2-CB 4.48Å; K261-R265 VanDerWaalsContact O-CB 3.23Å; K261-R265 WeakPolarHBondContact O-CB 3.36Å; K261-R265 PolarHBondContact O-N 2.79Å; K261-R265 VanDerWaalsContact O-N 3.09Å; E262-R265 PolarHBondContact O-N 2.99Å; I263-R265 VanDerWaalsContact C-N 3.34Å; I263-R265 PolarHBondContact O-N 3.32Å; R265-Y268 PolarHBondContact O-N 3.42Å; R265-K269 HydrophobicContact CG-CD 4.21Å; R265-K269 WeakPolarHBondContact O-CB 3.28Å; R265-K269 WeakPolarHBondContact O-CG 3.07Å; R265-K269 PolarHBondContact O-N 3.21Å; R265-K269 VanDerWaalsContact O-N 3.1Å
266D92.9Very high88.9Confident9 Ų933.6 Ų33.65%0.04815%0.149CC..Hα-helixtrans-66.3-48.2176.7-161.7-104000111.7R131 Y255 L257 E262 I263 M264 Y268 K269 H270R131-D266 IonicContact CZ-OD1 3.33Å; R131-D266 IonicContact NH1-OD1 3.24Å; R131-D266 PolarHBondContact NH1-OD1 3.28Å; R131-D266 IonicContact NH2-OD1 2.66Å; R131-D266 PolarHBondContact NH2-OD1 3.33Å; Y255-D266 WeakPolarHBondContact CE2-OD2 2.98Å; Y255-D266 PolarHBondContact OH-OD1 3.06Å; Y255-D266 PolarHBondContact OH-OD2 3.23Å; L257-D266 HydrophobicContact CD1-CB 3.51Å; L257-D266 HydrophobicContact CD2-CB 3.91Å; L257-D266 HydrophobicContact CG-CB 4.38Å; E262-D266 WeakPolarHBondContact O-CB 3.24Å; E262-D266 PolarHBondContact O-N 3.14Å; I263-D266 PolarHBondContact O-N 2.83Å; M264-D266 VanDerWaalsContact C-N 3.32Å; M264-D266 PolarHBondContact O-N 2.87Å; D266-Y268 VanDerWaalsContact C-N 3.29Å; D266-Y268 PolarHBondContact O-N 3.47Å; D266-K269 PolarHBondContact O-N 3.44Å; D266-H270 WeakPolarHBondContact O-CB 2.99Å; D266-H270 PolarHBondContact O-N 3.33Å; D266-H270 IonicContact OD2-CD2 2.91Å
267I95.7Very high90.7Very high0 Ų033.3 Ų33.30%015%0.147CC..Hα-helixtrans-57.4-46.5175-67168.4000110F95 W101 I263 M264 K269 G271 V273 I307 W310 W318F95-I267 HydrophobicContact CD1-CG2 3.93Å; F95-I267 HydrophobicContact CE1-CG2 3.65Å; W101-I267 WeakPolarHBondContact CH2-O 3.11Å; I263-I267 HydrophobicContact CG2-CD1 3.77Å; I263-I267 HydrophobicContact CG2-CG1 4.48Å; I263-I267 WeakPolarHBondContact O-CG1 3.4Å; I263-I267 PolarHBondContact O-N 3.23Å; M264-I267 PolarHBondContact O-N 3.07Å; I267-K269 VanDerWaalsContact C-N 3.31Å; I267-K269 PolarHBondContact O-N 2.92Å; I267-G271 WeakPolarHBondContact CA-O 3.27Å; I267-G271 VanDerWaalsContact O-CA 3.29Å; I267-G271 WeakPolarHBondContact O-CA 3.41Å; I267-G271 PolarHBondContact O-N 3.4Å; I267-V273 HydrophobicContact CD1-CG2 3.81Å; I267-V273 HydrophobicContact CG1-CB 4.45Å; I267-V273 HydrophobicContact CG1-CG1 3.88Å; I267-V273 HydrophobicContact CG1-CG2 3.83Å; I267-I307 HydrophobicContact CD1-CB 4.24Å; I267-I307 HydrophobicContact CD1-CG2 3.68Å; I267-W310 HydrophobicContact CB-CZ3 3.92Å; I267-W310 HydrophobicContact CG2-CE3 4.47Å; I267-W310 HydrophobicContact CG2-CZ3 3.79Å; I267-W318 HydrophobicContact CD1-CZ3 4.2Å
268Y96.1Very high92.2Very high82 Ų8234.9 Ų34.932%0.32216%0.155SC..Hα-helixtrans-57.2-41.7179.5-168-108.8000113.1L91 P92 F95 W101 M264 R265 D266 W310L91-Y268 HydrophobicContact CD2-CD1 4.04Å; L91-Y268 HydrophobicContact CD2-CD2 4.35Å; L91-Y268 HydrophobicContact CD2-CG 3.82Å; P92-Y268 HydrophobicContact CG-CD2 4.27Å; P92-Y268 HydrophobicContact CG-CE2 3.89Å; F95-Y268 AromaticContact CD2-CD2 3.59Å; F95-Y268 HydrophobicContact CD2-CD2 3.59Å; F95-Y268 AromaticContact CD2-CE2 3.96Å; F95-Y268 HydrophobicContact CD2-CE2 3.96Å; F95-Y268 AromaticContact CE2-CD2 3.52Å; F95-Y268 HydrophobicContact CE2-CD2 3.52Å; F95-Y268 AromaticContact CE2-CE2 3.91Å; F95-Y268 HydrophobicContact CE2-CE2 3.91Å; F95-Y268 HydrophobicContact CG-CD2 4.48Å; F95-Y268 HydrophobicContact CZ-CD2 4.38Å; W101-Y268 WeakPolarHBondContact CH2-O 3.38Å; W101-Y268 WeakPolarHBondContact CZ2-O 3.25Å; M264-Y268 VanDerWaalsContact O-CB 3.3Å; M264-Y268 WeakPolarHBondContact O-CB 3.22Å; M264-Y268 PolarHBondContact O-N 3.16Å; R265-Y268 PolarHBondContact O-N 3.42Å; D266-Y268 VanDerWaalsContact C-N 3.29Å; D266-Y268 PolarHBondContact O-N 3.47Å; Y268-W310 HydrophobicContact CD2-CH2 4.24Å
269K93.3Very high93.4Very high88 Ų8828.6 Ų28.638%0.38313%0.131SC..Hα-helixtrans-85.9-34.9-174.8-71.8-178.8178.2-175.10113.5R265 D266 I267R265-K269 HydrophobicContact CG-CD 4.21Å; R265-K269 WeakPolarHBondContact O-CB 3.28Å; R265-K269 WeakPolarHBondContact O-CG 3.07Å; R265-K269 PolarHBondContact O-N 3.21Å; R265-K269 VanDerWaalsContact O-N 3.1Å; D266-K269 PolarHBondContact O-N 3.44Å; I267-K269 VanDerWaalsContact C-N 3.31Å; I267-K269 PolarHBondContact O-N 2.92Å
270H94.4Very high94Very high46 Ų4628 Ų2821%0.21312%0.123CC..Hα-helixtrans-128.2-9.8-163.6-59.6-43.5000114.1R131 D266 R353R131-H270 WeakPolarHBondContact CG-O 3.5Å; D266-H270 WeakPolarHBondContact O-CB 2.99Å; D266-H270 PolarHBondContact O-N 3.33Å; D266-H270 IonicContact OD2-CD2 2.91Å; H270-R353 PolarHBondContact CE1-NE 3.45Å; H270-R353 PolarHBondContact NE2-NE 3.2Å; H270-R353 PolarHBondContact NE2-NH2 3.4Å
271G97Very high94.2Very high0 Ų027 Ų270%012%0.119CC..  trans95.2-172.6-179.600000114.4R131 I267R131-G271 PolarHBondContact NH2-O 3.09Å; I267-G271 WeakPolarHBondContact CA-O 3.27Å; I267-G271 VanDerWaalsContact O-CA 3.29Å; I267-G271 WeakPolarHBondContact O-CA 3.41Å; I267-G271 PolarHBondContact O-N 3.4Å
272P98.4Very high94.4Very high0 Ų020.4 Ų20.40%09%0.091CC..  trans-48.5153.9-171.3-32.138.9000115.2A97 I107 V127 D130 R131 R306 I307 I308A97-P272 HydrophobicContact CB-CG 4Å; I107-P272 HydrophobicContact CG2-CG 4.39Å; V127-P272 VanDerWaalsContact CG1-O 3.23Å; V127-P272 WeakPolarHBondContact CG1-O 3.16Å; V127-P272 HydrophobicContact CG2-CB 4.25Å; D130-P272 HydrophobicContact CB-CG 4.15Å; D130-P272 WeakPolarHBondContact OD2-CG 3.29Å; R131-P272 PolarHBondContact NE-O 3.23Å; R131-P272 PolarHBondContact NH2-O 3.1Å; R131-P272 VanDerWaalsContact NH2-O 3.12Å; P272-R306 HydrophobicContact CB-CG 3.85Å; P272-I307 VanDerWaalsContact CA-O 3.23Å; P272-I307 WeakPolarHBondContact CA-O 3.31Å; P272-I307 WeakPolarHBondContact CB-O 3.42Å; P272-I308 HydrophobicContact CB-CG2 4.08Å; P272-I308 HydrophobicContact CG-CB 4.32Å; P272-I308 HydrophobicContact CG-CG2 3.91Å
273V96.5Very high94.8Very high0 Ų019.5 Ų19.50%09%0.087CC..EExtended strand (participates in β ladder)trans-126.3161.6178.2-63.80000109.9L257 I263 I267 R306 I307 V349 A351L257-V273 HydrophobicContact CD1-CG1 3.89Å; I263-V273 HydrophobicContact CG2-CG2 4.31Å; I267-V273 HydrophobicContact CD1-CG2 3.81Å; I267-V273 HydrophobicContact CG1-CB 4.45Å; I267-V273 HydrophobicContact CG1-CG1 3.88Å; I267-V273 HydrophobicContact CG1-CG2 3.83Å; V273-R306 WeakPolarHBondContact O-CA 3.41Å; V273-I307 HydrophobicContact CG2-CB 3.83Å; V273-I307 HydrophobicContact CG2-CD1 4.18Å; V273-I307 HydrophobicContact CG2-CG1 4.34Å; V273-I307 PolarHBondContact N-O 3.17Å; V273-I307 VanDerWaalsContact N-O 3.14Å; V273-I307 PolarHBondContact O-N 3.43Å; V273-V349 HydrophobicContact CB-CG1 3.75Å; V273-V349 HydrophobicContact CG1-CG1 4.38Å; V273-V349 HydrophobicContact CG2-CG1 3.46Å; V273-V349 VanDerWaalsContact CG2-CG1 3.46Å; V273-A351 HydrophobicContact CB-CB 4.28Å; V273-A351 HydrophobicContact CG1-CB 3.91Å
274V96Very high95Very high0 Ų019.8 Ų19.80%09%0.088CC..EExtended strand (participates in β ladder)trans-90126168.8179.50000108.6A124 V127 P165 F169 A304 V305 V349 V350A124-V274 HydrophobicContact CB-CG2 4.37Å; V127-V274 HydrophobicContact CB-CG2 4.16Å; V127-V274 HydrophobicContact CG2-CG2 3.7Å; P165-V274 HydrophobicContact CB-CG1 3.9Å; P165-V274 HydrophobicContact CG-CG1 4.34Å; F169-V274 HydrophobicContact CE2-CB 4.24Å; F169-V274 HydrophobicContact CE2-CG2 3.71Å; F169-V274 HydrophobicContact CZ-CG2 3.81Å; V274-A304 HydrophobicContact CG1-CB 4.16Å; V274-V305 WeakPolarHBondContact CA-O 3.09Å; V274-V349 CarbonylContact O-C 3.4Å; V274-V349 VanDerWaalsContact O-CA 3.26Å; V274-V349 WeakPolarHBondContact O-CA 3.39Å; V274-V349 WeakPolarHBondContact O-CG1 3.48Å; V274-V350 HydrophobicContact CB-CG2 4.02Å; V274-V350 HydrophobicContact CG1-CG2 4.45Å; V274-V350 PolarHBondContact N-O 2.81Å; V274-V350 PolarHBondContact O-N 2.7Å
275G92.6Very high95.1Very high0 Ų019.1 Ų19.10%08%0.084CC..EExtended strand (participates in β ladder)trans-105.1154.8164.200000110.1A304 V305G275-A304 WeakPolarHBondContact O-CA 3.34Å; G275-V305 PolarHBondContact N-O 3Å; G275-V305 PolarHBondContact O-N 2.78Å
276A92.4Very high95.2Very high4 Ų417.1 Ų17.13%0.0338%0.077CC..EExtended strand (participates in β ladder)trans-125.7140.6167.900000108.8V67 H303V67-A276 HydrophobicContact CG1-CB 4.34Å; V67-A276 HydrophobicContact CG2-CB 4.44Å; A276-H303 VanDerWaalsContact CA-O 3.25Å; A276-H303 WeakPolarHBondContact CA-O 3.28Å
277F93.9Very high95.2Very high0 Ų018.5 Ų18.50%09%0.085CC..EExtended strand (participates in β ladder)trans-143.6159.2-178.574.3-68.2000111V279 F283 A302 H303 V305 F334 I336 C343 I345F277-V279 HydrophobicContact CD2-CG2 4.37Å; F277-V279 HydrophobicContact CE1-CG2 4.22Å; F277-V279 HydrophobicContact CE2-CG2 3.71Å; F277-V279 HydrophobicContact CZ-CG2 3.62Å; F277-F283 HydrophobicContact CE2-CD1 4.19Å; F277-F283 HydrophobicContact CE2-CD2 4.41Å; F277-F283 HydrophobicContact CE2-CE1 4.1Å; F277-F283 HydrophobicContact CE2-CE2 4.32Å; F277-F283 HydrophobicContact CE2-CG 4.34Å; F277-F283 HydrophobicContact CE2-CZ 4.16Å; F277-F283 HydrophobicContact CZ-CD1 4.05Å; F277-F283 AromaticContact CZ-CE1 3.57Å; F277-F283 HydrophobicContact CZ-CE1 3.57Å; F277-F283 HydrophobicContact CZ-CE2 4.32Å; F277-F283 AromaticContact CZ-CZ 3.72Å; F277-F283 HydrophobicContact CZ-CZ 3.72Å; F277-A302 WeakPolarHBondContact O-CA 3.26Å; F277-H303 HydrophobicContact CD1-CB 4.43Å; F277-H303 HydrophobicContact CE1-CB 3.93Å; F277-H303 AromaticContact CE1-CD2 3.8Å; F277-H303 HydrophobicContact CZ-CB 4.45Å; F277-H303 PolarHBondContact N-O 3.24Å; F277-H303 PolarHBondContact O-N 3.03Å; F277-V305 HydrophobicContact CD1-CG1 4.41Å; F277-V305 HydrophobicContact CD1-CG2 4.06Å; F277-V305 HydrophobicContact CE1-CG1 3.71Å; F277-V305 HydrophobicContact CE1-CG2 4.1Å; F277-F334 HydrophobicContact CE1-CZ 4.08Å; F277-F334 HydrophobicContact CZ-CE2 4.44Å; F277-F334 HydrophobicContact CZ-CZ 4.03Å; F277-I336 HydrophobicContact CD2-CD1 4.29Å; F277-C343 CarbonylContact C-O 3.58Å; F277-C343 VanDerWaalsContact CA-O 3.27Å; F277-C343 WeakPolarHBondContact CA-O 3.29Å; F277-C343 HydrophobicContact CB-CB 4.29Å; F277-C343 VanDerWaalsContact CB-O 3.3Å; F277-C343 WeakPolarHBondContact CB-O 2.98Å; F277-C343 HydrophobicContact CD2-CB 4.07Å; F277-I345 HydrophobicContact CB-CB 3.98Å; F277-I345 HydrophobicContact CB-CD1 3.75Å; F277-I345 HydrophobicContact CB-CG1 4.42Å; F277-I345 HydrophobicContact CD1-CD1 4.05Å; F277-I345 HydrophobicContact CG-CD1 4.12Å
278I94.6Very high95Very high33 Ų3320.9 Ų20.917%0.16910%0.098CC..EExtended strand (participates in β ladder)trans-78119.1173.7-54.1-55.2000108.6W69 Y280 P299 G301 A302 C343 E344W69-I278 HydrophobicContact CD2-CD1 4.42Å; W69-I278 HydrophobicContact CE3-CD1 4.07Å; W69-I278 HydrophobicContact CZ3-CD1 4.17Å; I278-Y280 HydrophobicContact CB-CE2 4.09Å; I278-Y280 HydrophobicContact CG2-CD2 4.2Å; I278-Y280 HydrophobicContact CG2-CE2 3.8Å; I278-Y280 WeakPolarHBondContact O-CD2 3.25Å; I278-P299 HydrophobicContact CG2-CB 3.89Å; I278-G301 CarbonylContact C-O 3.5Å; I278-G301 WeakPolarHBondContact CA-O 3.32Å; I278-A302 HydrophobicContact CD1-CB 4.2Å; I278-C343 PolarHBondContact N-O 3.5Å; I278-C343 VanDerWaalsContact O-CB 3.32Å; I278-C343 WeakPolarHBondContact O-CB 3.46Å; I278-E344 HydrophobicContact CG1-CB 4.43Å; I278-E344 HydrophobicContact CG1-CG 4.24Å
279V96.1Very high94.9Very high0 Ų017.5 Ų17.50%09%0.089CC..EExtended strand (participates in β ladder)trans-83.1124.5173.2173.50000108.5L65 F277 F283 F284 V300 G301 H303L65-V279 HydrophobicContact CD1-CB 4.09Å; L65-V279 HydrophobicContact CD1-CG1 4.26Å; L65-V279 HydrophobicContact CD2-CB 3.8Å; L65-V279 HydrophobicContact CD2-CG1 3.93Å; L65-V279 HydrophobicContact CD2-CG2 3.69Å; F277-V279 HydrophobicContact CD2-CG2 4.37Å; F277-V279 HydrophobicContact CE1-CG2 4.22Å; F277-V279 HydrophobicContact CE2-CG2 3.71Å; F277-V279 HydrophobicContact CZ-CG2 3.62Å; V279-F283 HydrophobicContact CG1-CB 4.13Å; V279-F283 HydrophobicContact CG1-CD1 4.01Å; V279-F283 HydrophobicContact CG1-CG 4.49Å; V279-F283 HydrophobicContact CG2-CD1 4.24Å; V279-F284 HydrophobicContact CG1-CE1 4.22Å; V279-F284 HydrophobicContact CG1-CE2 3.99Å; V279-F284 HydrophobicContact CG1-CZ 3.79Å; V279-V300 PolarHBondContact O-N 3.26Å; V279-G301 PolarHBondContact N-O 2.95Å; V279-G301 PolarHBondContact O-N 3.39Å; V279-H303 HydrophobicContact CG2-CB 3.48Å; V279-H303 VanDerWaalsContact CG2-CB 3.48Å
280Y95.3Very high95Very high47 Ų4713.5 Ų13.518%0.1847%0.071CC..EExtended strand (participates in β ladder)trans-95.9158170.5-71.2-105.9000109.9I278 D282 F283 H293 A297 Q298 P299 C343I278-Y280 HydrophobicContact CB-CE2 4.09Å; I278-Y280 HydrophobicContact CG2-CD2 4.2Å; I278-Y280 HydrophobicContact CG2-CE2 3.8Å; I278-Y280 WeakPolarHBondContact O-CD2 3.25Å; Y280-D282 WeakPolarHBondContact CB-OD1 3.47Å; Y280-D282 PolarHBondContact O-N 3.15Å; Y280-F283 WeakPolarHBondContact O-CB 3.41Å; Y280-F283 PolarHBondContact O-N 3.44Å; Y280-H293 HydrophobicContact CD1-CB 4.34Å; Y280-H293 AromaticContact CD1-CD2 3.99Å; Y280-H293 HydrophobicContact CD2-CB 3.97Å; Y280-H293 AromaticContact CE1-CD2 3.74Å; Y280-H293 HydrophobicContact CE2-CB 4.42Å; Y280-H293 HydrophobicContact CG-CB 3.93Å; Y280-H293 AromaticContact CZ-CD2 3.94Å; Y280-A297 HydrophobicContact CD1-CB 3.99Å; Y280-A297 HydrophobicContact CG-CB 4.34Å; Y280-Q298 CarbonylContact C-O 3.06Å; Y280-Q298 VanDerWaalsContact CA-O 3.24Å; Y280-Q298 WeakPolarHBondContact CA-O 3.31Å; Y280-P299 HydrophobicContact CD1-CB 4.44Å; Y280-P299 HydrophobicContact CE1-CB 4.22Å; Y280-C343 HydrophobicContact CE2-CB 4.21Å
281D95.3Very high95Very high32 Ų3211.4 Ų11.417%0.1716%0.062CC..THydrogen-bonded Turntrans-58.5-28.1-176.556.70.2000113.7L27 Y285 A297 Q298 V300L27-D281 HydrophobicContact CD1-CB 4.32Å; D281-Y285 WeakPolarHBondContact O-CD2 3.19Å; D281-Y285 VanDerWaalsContact O-CE2 3.23Å; D281-Y285 WeakPolarHBondContact O-CE2 3.27Å; D281-A297 WeakPolarHBondContact OD1-CA 3.49Å; D281-A297 WeakPolarHBondContact OD1-CB 3.29Å; D281-Q298 VanDerWaalsContact CG-N 3.31Å; D281-Q298 PolarHBondContact N-O 3.33Å; D281-Q298 PolarHBondContact OD1-N 3.29Å; D281-Q298 PolarHBondContact OD2-N 3.38Å; D281-V300 HydrophobicContact CB-CG2 3.85Å
282D94.7Very high94.8Very high9 Ų914 Ų145%0.0487%0.074CC..THydrogen-bonded Turntrans-73.4-26.1175.764.9-24.2000114.4F31 F47 Y280 F284 Y285 Y291 H293 H294 A297F31-D282 HydrophobicContact CE2-CB 3.87Å; F31-D282 HydrophobicContact CZ-CB 3.84Å; F47-D282 HydrophobicContact CE2-CB 3.91Å; Y280-D282 WeakPolarHBondContact CB-OD1 3.47Å; Y280-D282 PolarHBondContact O-N 3.15Å; D282-F284 PolarHBondContact O-N 3.48Å; D282-Y285 PolarHBondContact O-N 3.12Å; D282-Y291 PolarHBondContact OD1-OH 2.57Å; D282-H293 WeakPolarHBondContact OD2-CA 3.47Å; D282-H294 PolarHBondContact OD2-N 3.42Å; D282-A297 HydrophobicContact CB-CB 4.02Å; D282-A297 VanDerWaalsContact OD1-CB 3.31Å; D282-A297 WeakPolarHBondContact OD1-CB 3.47Å
283F96.4Very high94.4Very high0 Ų016.5 Ų16.50%09%0.085CC..G310 helixtrans-62.9-29.6-179.3-175.7-109.9000113.1F277 V279 Y280 Y285 Y286 Y291 W324 F328 F334F277-F283 HydrophobicContact CE2-CD1 4.19Å; F277-F283 HydrophobicContact CE2-CD2 4.41Å; F277-F283 HydrophobicContact CE2-CE1 4.1Å; F277-F283 HydrophobicContact CE2-CE2 4.32Å; F277-F283 HydrophobicContact CE2-CG 4.34Å; F277-F283 HydrophobicContact CE2-CZ 4.16Å; F277-F283 HydrophobicContact CZ-CD1 4.05Å; F277-F283 AromaticContact CZ-CE1 3.57Å; F277-F283 HydrophobicContact CZ-CE1 3.57Å; F277-F283 HydrophobicContact CZ-CE2 4.32Å; F277-F283 AromaticContact CZ-CZ 3.72Å; F277-F283 HydrophobicContact CZ-CZ 3.72Å; V279-F283 HydrophobicContact CG1-CB 4.13Å; V279-F283 HydrophobicContact CG1-CD1 4.01Å; V279-F283 HydrophobicContact CG1-CG 4.49Å; V279-F283 HydrophobicContact CG2-CD1 4.24Å; Y280-F283 WeakPolarHBondContact O-CB 3.41Å; Y280-F283 PolarHBondContact O-N 3.44Å; F283-Y285 PolarHBondContact O-N 2.72Å; F283-Y286 VanDerWaalsContact O-CB 3.31Å; F283-Y286 WeakPolarHBondContact O-CB 3.34Å; F283-Y286 PolarHBondContact O-N 3.2Å; F283-Y291 HydrophobicContact CB-CE1 4.48Å; F283-Y291 HydrophobicContact CB-CE2 3.93Å; F283-Y291 AromaticContact CD2-CD1 3.73Å; F283-Y291 HydrophobicContact CD2-CD1 3.73Å; F283-Y291 AromaticContact CD2-CD2 3.77Å; F283-Y291 HydrophobicContact CD2-CD2 3.77Å; F283-Y291 AromaticContact CD2-CE1 3.68Å; F283-Y291 HydrophobicContact CD2-CE1 3.68Å; F283-Y291 AromaticContact CD2-CE2 3.7Å; F283-Y291 HydrophobicContact CD2-CE2 3.7Å; F283-Y291 AromaticContact CD2-CG 3.78Å; F283-Y291 HydrophobicContact CD2-CG 3.78Å; F283-Y291 AromaticContact CD2-CZ 3.66Å; F283-Y291 HydrophobicContact CE2-CD1 4.06Å; F283-Y291 HydrophobicContact CE2-CD2 4.49Å; F283-Y291 HydrophobicContact CE2-CE1 4.37Å; F283-Y291 HydrophobicContact CE2-CG 4.13Å; F283-Y291 HydrophobicContact CG-CE1 4.4Å; F283-Y291 HydrophobicContact CG-CE2 4.32Å; F283-W324 AromaticContact CD1-CH2 3.94Å; F283-W324 HydrophobicContact CD1-CH2 3.94Å; F283-W324 AromaticContact CD1-CZ3 3.9Å; F283-W324 HydrophobicContact CD1-CZ3 3.9Å; F283-W324 AromaticContact CE1-CH2 3.72Å; F283-W324 HydrophobicContact CE1-CH2 3.72Å; F283-W324 AromaticContact CE1-CZ3 3.49Å; F283-W324 HydrophobicContact CE1-CZ3 3.49Å; F283-W324 VanDerWaalsContact CE1-CZ3 3.49Å; F283-F328 AromaticContact CE1-CZ 3.99Å; F283-F328 HydrophobicContact CE1-CZ 3.99Å; F283-F328 HydrophobicContact CZ-CE1 4.38Å; F283-F328 AromaticContact CZ-CZ 3.88Å; F283-F328 HydrophobicContact CZ-CZ 3.88Å; F283-F334 AromaticContact CE2-CD2 3.72Å; F283-F334 HydrophobicContact CE2-CD2 3.72Å; F283-F334 AromaticContact CE2-CE2 3.87Å; F283-F334 HydrophobicContact CE2-CE2 3.87Å; F283-F334 HydrophobicContact CE2-CG 4.12Å; F283-F334 HydrophobicContact CE2-CZ 4.39Å; F283-F334 HydrophobicContact CZ-CD1 4.03Å; F283-F334 AromaticContact CZ-CD2 3.85Å; F283-F334 HydrophobicContact CZ-CD2 3.85Å; F283-F334 AromaticContact CZ-CE1 3.98Å; F283-F334 HydrophobicContact CZ-CE1 3.98Å; F283-F334 AromaticContact CZ-CE2 3.79Å; F283-F334 HydrophobicContact CZ-CE2 3.79Å; F283-F334 AromaticContact CZ-CG 3.96Å; F283-F334 HydrophobicContact CZ-CG 3.96Å; F283-F334 AromaticContact CZ-CZ 3.84Å; F283-F334 HydrophobicContact CZ-CZ 3.84Å
284F96.4Very high94.1Very high5 Ų517.2 Ų17.22%0.0229%0.089CC..G310 helixtrans-62.9-13.6175.5-61.6-68.4000113.1Y20 F53 L61 L65 V279 D282 V300 W324Y20-F284 HydrophobicContact CE2-CB 3.96Å; Y20-F284 PolarHBondContact OH-O 3.19Å; F53-F284 HydrophobicContact CD2-CB 4.12Å; F53-F284 HydrophobicContact CD2-CD1 4.42Å; F53-F284 WeakPolarHBondContact CD2-O 3.4Å; F53-F284 HydrophobicContact CE1-CD1 4.05Å; F53-F284 HydrophobicContact CE2-CB 4.02Å; F53-F284 AromaticContact CE2-CD1 3.83Å; F53-F284 HydrophobicContact CE2-CD1 3.83Å; F53-F284 HydrophobicContact CE2-CG 4.44Å; F53-F284 WeakPolarHBondContact CE2-O 3Å; F53-F284 AromaticContact CZ-CD1 3.62Å; F53-F284 HydrophobicContact CZ-CD1 3.62Å; F53-F284 HydrophobicContact CZ-CE1 4.33Å; L61-F284 HydrophobicContact CB-CE1 4.02Å; L61-F284 HydrophobicContact CB-CE2 4.25Å; L61-F284 HydrophobicContact CB-CZ 3.85Å; L61-F284 HydrophobicContact CD1-CD2 4.26Å; L61-F284 HydrophobicContact CD1-CE2 4.44Å; L61-F284 HydrophobicContact CD1-CG 4.4Å; L61-F284 HydrophobicContact CD2-CD1 3.9Å; L61-F284 HydrophobicContact CD2-CE1 4.12Å; L61-F284 HydrophobicContact CD2-CG 4.27Å; L65-F284 HydrophobicContact CD1-CZ 4.16Å; L65-F284 HydrophobicContact CD2-CE1 4.39Å; L65-F284 HydrophobicContact CD2-CZ 4.23Å; L65-F284 HydrophobicContact CG-CZ 4.47Å; V279-F284 HydrophobicContact CG1-CE1 4.22Å; V279-F284 HydrophobicContact CG1-CE2 3.99Å; V279-F284 HydrophobicContact CG1-CZ 3.79Å; D282-F284 PolarHBondContact O-N 3.48Å; F284-V300 HydrophobicContact CE2-CB 4.32Å; F284-V300 HydrophobicContact CE2-CG1 4.15Å; F284-V300 HydrophobicContact CE2-CG2 4.16Å; F284-V300 HydrophobicContact CZ-CG1 4.36Å; F284-W324 HydrophobicContact CD1-CH2 4.34Å; F284-W324 HydrophobicContact CE1-CH2 4.14Å
285Y95.6Very high93.7Very high4 Ų421.7 Ų21.72%0.01612%0.118CC..G310 helixtrans-110.917.4178.7-50.5-78.7000112.4Y20 Q23 Y24 L27 F47 G48 D281 D282 F283 T287Y20-Y285 HydrophobicContact CD1-CE1 4.37Å; Y20-Y285 HydrophobicContact CD2-CD1 4.49Å; Y20-Y285 AromaticContact CD2-CE1 3.56Å; Y20-Y285 HydrophobicContact CD2-CE1 3.56Å; Y20-Y285 AromaticContact CD2-CZ 3.77Å; Y20-Y285 HydrophobicContact CE1-CD1 4.31Å; Y20-Y285 AromaticContact CE1-CE1 3.95Å; Y20-Y285 HydrophobicContact CE1-CE1 3.95Å; Y20-Y285 AromaticContact CE2-CD1 3.58Å; Y20-Y285 HydrophobicContact CE2-CD1 3.58Å; Y20-Y285 AromaticContact CE2-CE1 3.04Å; Y20-Y285 HydrophobicContact CE2-CE1 3.04Å; Y20-Y285 HydrophobicContact CE2-CE2 4.37Å; Y20-Y285 HydrophobicContact CE2-CG 4.42Å; Y20-Y285 AromaticContact CE2-CZ 3.53Å; Y20-Y285 HydrophobicContact CG-CE1 4.2Å; Y20-Y285 AromaticContact CZ-CD1 3.45Å; Y20-Y285 VanDerWaalsContact CZ-CD1 3.45Å; Y20-Y285 AromaticContact CZ-CE1 3.26Å; Y20-Y285 PolarHBondContact O-OH 2.91Å; Y20-Y285 WeakPolarHBondContact OH-CD1 3.44Å; Q23-Y285 VanDerWaalsContact CB-OH 3.23Å; Q23-Y285 WeakPolarHBondContact CB-OH 3.2Å; Y24-Y285 VanDerWaalsContact CB-CE1 3.48Å; Y24-Y285 AromaticContact CD2-CD1 3.4Å; Y24-Y285 HydrophobicContact CD2-CD1 3.4Å; Y24-Y285 VanDerWaalsContact CD2-CD1 3.4Å; Y24-Y285 AromaticContact CD2-CE1 3.81Å; Y24-Y285 HydrophobicContact CD2-CE1 3.81Å; Y24-Y285 AromaticContact CD2-CG 3.91Å; Y24-Y285 HydrophobicContact CD2-CG 3.91Å; Y24-Y285 HydrophobicContact CE2-CD1 4.28Å; Y24-Y285 HydrophobicContact CG-CD1 4.1Å; Y24-Y285 HydrophobicContact CG-CE1 4.07Å; Y24-Y285 PolarHBondContact N-OH 2.84Å; L27-Y285 HydrophobicContact CD1-CD2 3.94Å; L27-Y285 HydrophobicContact CD1-CE2 3.49Å; L27-Y285 VanDerWaalsContact CD1-CE2 3.49Å; F47-Y285 WeakPolarHBondContact CA-O 3.34Å; F47-Y285 AromaticContact CE2-CD2 3.72Å; F47-Y285 HydrophobicContact CE2-CD2 3.72Å; F47-Y285 AromaticContact CE2-CG 3.85Å; F47-Y285 HydrophobicContact CE2-CG 3.85Å; F47-Y285 AromaticContact CZ-CD2 3.69Å; F47-Y285 HydrophobicContact CZ-CD2 3.69Å; F47-Y285 AromaticContact CZ-CG 3.8Å; F47-Y285 HydrophobicContact CZ-CG 3.8Å; G48-Y285 PolarHBondContact N-O 3.08Å; G48-Y285 CarbonylContact O-C 3.31Å; G48-Y285 VanDerWaalsContact O-C 3.31Å; G48-Y285 WeakPolarHBondContact O-CA 3.22Å; G48-Y285 WeakPolarHBondContact O-CB 3.4Å; D281-Y285 WeakPolarHBondContact O-CD2 3.19Å; D281-Y285 VanDerWaalsContact O-CE2 3.23Å; D281-Y285 WeakPolarHBondContact O-CE2 3.27Å; D282-Y285 PolarHBondContact O-N 3.12Å; F283-Y285 PolarHBondContact O-N 2.72Å; Y285-T287 PolarHBondContact O-N 3.01Å
286Y95.3Very high93.4Very high1 Ų121.7 Ų21.70%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-66.4126.6170.1176.5-92.5000110.5I45 N50 F283 G289 Y291 F328 E330 F334 R335I45-Y286 HydrophobicContact CG2-CD2 4.15Å; N50-Y286 PolarHBondContact ND2-O 3.36Å; N50-Y286 VanDerWaalsContact ND2-O 3.1Å; F283-Y286 VanDerWaalsContact O-CB 3.31Å; F283-Y286 WeakPolarHBondContact O-CB 3.34Å; F283-Y286 PolarHBondContact O-N 3.2Å; Y286-G289 WeakPolarHBondContact CE2-O 3.49Å; Y286-G289 PolarHBondContact OH-O 3.36Å; Y286-Y291 HydrophobicContact CD2-CD2 4.39Å; Y286-Y291 HydrophobicContact CD2-CG 4.49Å; Y286-F328 HydrophobicContact CD1-CE1 4.2Å; Y286-F328 HydrophobicContact CD1-CZ 4.08Å; Y286-E330 HydrophobicContact CE1-CG 4.48Å; Y286-E330 PolarHBondContact OH-OE1 3.02Å; Y286-F334 HydrophobicContact CD1-CB 3.75Å; Y286-F334 HydrophobicContact CE1-CB 3.21Å; Y286-F334 HydrophobicContact CE2-CB 4.4Å; Y286-F334 WeakPolarHBondContact OH-CA 3.19Å; Y286-R335 PolarHBondContact OH-N 3.42Å
287T92.9Very high93.4Very high37 Ų3721.8 Ų21.823%0.22712%0.118CC..EExtended strand (participates in β ladder)trans-117.1-41.6171.964.40000112.8Q46 Y285 G329Q46-T287 WeakPolarHBondContact CB-OG1 3.29Å; Q46-T287 PolarHBondContact O-N 3.36Å; Q46-T287 VanDerWaalsContact O-N 3.11Å; Q46-T287 PolarHBondContact O-OG1 2.81Å; Y285-T287 PolarHBondContact O-N 3.01Å; T287-G329 CarbonylContact O-C 3.29Å; T287-G329 VanDerWaalsContact O-C 3.29Å; T287-G329 WeakPolarHBondContact O-CA 3.42Å
288D92.5Very high93.5Very high50 Ų5026.9 Ų26.927%0.26714%0.142SC..EExtended strand (participates in β ladder)trans-160.9167.3-180-171.724.8000111.2Q46 E330 R335Q46-D288 HydrophobicContact CB-CB 4.12Å; Q46-D288 HydrophobicContact CG-CB 4.13Å; Q46-D288 PolarHBondContact N-O 3.45Å; D288-E330 HydrophobicContact CB-CG 4.39Å; D288-E330 WeakPolarHBondContact OD1-CG 3.5Å; D288-R335 IonicContact OD1-CZ 3.42Å; D288-R335 IonicContact OD1-NH2 3.79Å; D288-R335 PolarHBondContact OD1-NH2 3.36Å
289G92.9Very high93.5Very high12 Ų1229.2 Ų29.212%0.12416%0.159CC..EExtended strand (participates in β ladder)trans95.6-165.517600000113.5A44 Y286A44-G289 WeakPolarHBondContact O-CA 3.49Å; Y286-G289 WeakPolarHBondContact CE2-O 3.49Å; Y286-G289 PolarHBondContact OH-O 3.36Å
290I95Very high93.4Very high3 Ų331.1 Ų31.12%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-100104.5179.6-59.5171.3000108.6A44 I45 S313 K315 Y317 R335 L337A44-I290 PolarHBondContact O-N 3.08Å; I45-I290 WeakPolarHBondContact CG1-O 3.33Å; I290-S313 WeakPolarHBondContact CD1-OG 3.25Å; I290-K315 HydrophobicContact CD1-CB 3.82Å; I290-K315 WeakPolarHBondContact CD1-O 3.26Å; I290-Y317 HydrophobicContact CD1-CD1 3.73Å; I290-Y317 HydrophobicContact CD1-CG 4.36Å; I290-Y317 HydrophobicContact CG1-CD1 4.07Å; I290-Y317 HydrophobicContact CG1-CG 4.34Å; I290-R335 HydrophobicContact CG1-CB 4.44Å; I290-L337 HydrophobicContact CG2-CB 4.33Å
291Y95.2Very high93.3Very high3 Ų330.2 Ų30.21%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-61133.4178178-105.7000111.9I45 D282 F283 Y286 H293 R335 I336 L337I45-Y291 HydrophobicContact CD1-CD2 4.21Å; D282-Y291 PolarHBondContact OD1-OH 2.57Å; F283-Y291 HydrophobicContact CB-CE1 4.48Å; F283-Y291 HydrophobicContact CB-CE2 3.93Å; F283-Y291 AromaticContact CD2-CD1 3.73Å; F283-Y291 HydrophobicContact CD2-CD1 3.73Å; F283-Y291 AromaticContact CD2-CD2 3.77Å; F283-Y291 HydrophobicContact CD2-CD2 3.77Å; F283-Y291 AromaticContact CD2-CE1 3.68Å; F283-Y291 HydrophobicContact CD2-CE1 3.68Å; F283-Y291 AromaticContact CD2-CE2 3.7Å; F283-Y291 HydrophobicContact CD2-CE2 3.7Å; F283-Y291 AromaticContact CD2-CG 3.78Å; F283-Y291 HydrophobicContact CD2-CG 3.78Å; F283-Y291 AromaticContact CD2-CZ 3.66Å; F283-Y291 HydrophobicContact CE2-CD1 4.06Å; F283-Y291 HydrophobicContact CE2-CD2 4.49Å; F283-Y291 HydrophobicContact CE2-CE1 4.37Å; F283-Y291 HydrophobicContact CE2-CG 4.13Å; F283-Y291 HydrophobicContact CG-CE1 4.4Å; F283-Y291 HydrophobicContact CG-CE2 4.32Å; Y286-Y291 HydrophobicContact CD2-CD2 4.39Å; Y286-Y291 HydrophobicContact CD2-CG 4.49Å; Y291-H293 WeakPolarHBondContact OH-CB 3.05Å; Y291-R335 VanDerWaalsContact CB-O 3.27Å; Y291-R335 WeakPolarHBondContact CB-O 3.4Å; Y291-R335 PolarHBondContact N-O 3.05Å; Y291-I336 HydrophobicContact CD1-CB 4.41Å; Y291-I336 HydrophobicContact CD1-CD1 3.79Å; Y291-I336 HydrophobicContact CD1-CG1 3.85Å; Y291-I336 HydrophobicContact CE1-CD1 4.15Å; Y291-I336 WeakPolarHBondContact O-CA 3.3Å; Y291-L337 PolarHBondContact O-N 2.74Å
292Q92.8Very high93.3Very high55 Ų5529 Ų2926%0.25717%0.17SC..  trans-150.5124.4172.2174.9169.629.400104.3I45 H294 L337 E342I45-Q292 HydrophobicContact CD1-CB 4.49Å; I45-Q292 VanDerWaalsContact CD1-N 3.33Å; I45-Q292 WeakPolarHBondContact CD1-O 3.39Å; Q292-H294 PolarHBondContact O-N 2.76Å; Q292-L337 HydrophobicContact CG-CD2 4.29Å; Q292-E342 WeakPolarHBondContact CA-OE1 3.35Å
293H90.8Very high93.4Very high52 Ų5228.6 Ų28.624%0.24117%0.168CC..  trans-61.6141.5-174.573.4-75.6000110.2Y280 D282 Y291 E342Y280-H293 HydrophobicContact CD1-CB 4.34Å; Y280-H293 AromaticContact CD1-CD2 3.99Å; Y280-H293 HydrophobicContact CD2-CB 3.97Å; Y280-H293 AromaticContact CE1-CD2 3.74Å; Y280-H293 HydrophobicContact CE2-CB 4.42Å; Y280-H293 HydrophobicContact CG-CB 3.93Å; Y280-H293 AromaticContact CZ-CD2 3.94Å; D282-H293 WeakPolarHBondContact OD2-CA 3.47Å; Y291-H293 WeakPolarHBondContact OH-CB 3.05Å; H293-E342 IonicContact CE1-OE1 2.8Å; H293-E342 IonicContact CG-OE1 3.19Å; H293-E342 PolarHBondContact N-OE1 3.13Å; H293-E342 IonicContact ND1-OE1 2.73Å; H293-E342 PolarHBondContact ND1-OE1 3.47Å
294H90.2Very high93.4Very high15 Ų1528.6 Ų28.67%0.06917%0.168CC..  trans-68139.8174.2-172-91.2000109.2F31 N35 D282 Q292 G296 A297F31-H294 HydrophobicContact CD1-CB 4.35Å; F31-H294 AromaticContact CD1-CE1 3.38Å; F31-H294 WeakPolarHBondContact CD1-CE1 3.4Å; F31-H294 AromaticContact CD1-CG 3.64Å; F31-H294 AromaticContact CD1-ND1 3.18Å; F31-H294 WeakPolarHBondContact CD1-ND1 3.44Å; F31-H294 AromaticContact CD1-NE2 3.9Å; F31-H294 HydrophobicContact CD2-CB 4.42Å; F31-H294 HydrophobicContact CE1-CB 3.87Å; F31-H294 AromaticContact CE1-CE1 3.91Å; F31-H294 AromaticContact CE1-CG 3.6Å; F31-H294 AromaticContact CE1-ND1 3.22Å; F31-H294 WeakPolarHBondContact CE1-ND1 3.45Å; F31-H294 HydrophobicContact CE2-CB 3.94Å; F31-H294 AromaticContact CG-CD2 3.97Å; F31-H294 AromaticContact CG-CE1 3.92Å; F31-H294 AromaticContact CG-CG 3.94Å; F31-H294 AromaticContact CG-ND1 3.9Å; F31-H294 AromaticContact CG-NE2 3.97Å; F31-H294 HydrophobicContact CZ-CB 3.63Å; F31-H294 AromaticContact CZ-CG 3.84Å; F31-H294 AromaticContact CZ-ND1 3.93Å; N35-H294 PolarHBondContact OD1-NE2 2.91Å; D282-H294 PolarHBondContact OD2-N 3.42Å; Q292-H294 PolarHBondContact O-N 2.76Å; H294-G296 PolarHBondContact ND1-N 2.62Å; H294-G296 PolarHBondContact O-N 3.31Å; H294-A297 HydrophobicContact CB-CB 4.34Å; H294-A297 WeakPolarHBondContact O-CB 3.07Å; H294-A297 PolarHBondContact O-N 2.73Å
295P86.8Confident93.5Very high94 Ų9428.4 Ų28.461%0.6117%0.167SC*.THydrogen-bonded Turntrans-60-7.9177.6-25.634.4000115.2R34R34-P295 PolarHBondContact NH1-O 2.69Å
296G87.5Confident93.6Very high0 Ų028.5 Ų28.50%017%0.167CC..THydrogen-bonded Turntrans-105.3-4174.100000115K30 H294K30-G296 WeakPolarHBondContact CE-O 3.22Å; K30-G296 PolarHBondContact NZ-O 2.81Å; H294-G296 PolarHBondContact ND1-N 2.62Å; H294-G296 PolarHBondContact O-N 3.31Å
297A92Very high93.8Very high6 Ų628.4 Ų28.45%0.0517%0.167CC..  trans-67.8155173.900000110.2F31 Y280 D281 D282 H294F31-A297 HydrophobicContact CZ-CB 4.48Å; Y280-A297 HydrophobicContact CD1-CB 3.99Å; Y280-A297 HydrophobicContact CG-CB 4.34Å; D281-A297 WeakPolarHBondContact OD1-CA 3.49Å; D281-A297 WeakPolarHBondContact OD1-CB 3.29Å; D282-A297 HydrophobicContact CB-CB 4.02Å; D282-A297 VanDerWaalsContact OD1-CB 3.31Å; D282-A297 WeakPolarHBondContact OD1-CB 3.47Å; H294-A297 HydrophobicContact CB-CB 4.34Å; H294-A297 WeakPolarHBondContact O-CB 3.07Å; H294-A297 PolarHBondContact O-N 2.73Å
298Q94.5Very high94.1Very high107 Ų10726.7 Ų26.750%0.516%0.157SC..  trans-113.8141178.1-63.5-59.6-70.600110.8Y280 D281Y280-Q298 CarbonylContact C-O 3.06Å; Y280-Q298 VanDerWaalsContact CA-O 3.24Å; Y280-Q298 WeakPolarHBondContact CA-O 3.31Å; D281-Q298 VanDerWaalsContact CG-N 3.31Å; D281-Q298 PolarHBondContact N-O 3.33Å; D281-Q298 PolarHBondContact OD1-N 3.29Å; D281-Q298 PolarHBondContact OD2-N 3.38Å
299P94.7Very high94.4Very high81 Ų8124.3 Ų24.353%0.52614%0.144SC..EExtended strand (participates in β ladder)trans-67.9133.9176.329.3-34.4000110.3I278 Y280I278-P299 HydrophobicContact CG2-CB 3.89Å; Y280-P299 HydrophobicContact CD1-CB 4.44Å; Y280-P299 HydrophobicContact CE1-CB 4.22Å
300V95.3Very high94.6Very high41 Ų4123.9 Ų23.925%0.24814%0.138CC..EExtended strand (participates in β ladder)trans-110.2-39.1-177-176.10000111.7K62 L65 V279 D281 F284K62-V300 HydrophobicContact CG-CG1 3.64Å; L65-V300 HydrophobicContact CD1-CB 3.92Å; L65-V300 HydrophobicContact CD1-CG1 3.64Å; V279-V300 PolarHBondContact O-N 3.26Å; D281-V300 HydrophobicContact CB-CG2 3.85Å; F284-V300 HydrophobicContact CE2-CB 4.32Å; F284-V300 HydrophobicContact CE2-CG1 4.15Å; F284-V300 HydrophobicContact CE2-CG2 4.16Å; F284-V300 HydrophobicContact CZ-CG1 4.36Å
301G93.6Very high94.7Very high27 Ų2723.7 Ų23.728%0.27814%0.138SC..EExtended strand (participates in β ladder)trans174.6-168.1-178.900000112.1I278 V279I278-G301 CarbonylContact C-O 3.5Å; I278-G301 WeakPolarHBondContact CA-O 3.32Å; V279-G301 PolarHBondContact N-O 2.95Å; V279-G301 PolarHBondContact O-N 3.39Å
302A94.3Very high94.7Very high7 Ų730 Ų306%0.05817%0.165CC..EExtended strand (participates in β ladder)trans-117.5139.5-178.800000111.6L65 V67 W69 F277 I278L65-A302 CarbonylContact C-O 3.54Å; L65-A302 VanDerWaalsContact CA-O 3.3Å; L65-A302 WeakPolarHBondContact CA-O 3.48Å; L65-A302 WeakPolarHBondContact CB-O 3.06Å; V67-A302 HydrophobicContact CB-CB 3.78Å; V67-A302 WeakPolarHBondContact CB-O 3.11Å; V67-A302 HydrophobicContact CG1-CB 4.12Å; V67-A302 PolarHBondContact N-O 2.03Å; V67-A302 VanDerWaalsContact N-O 3.11Å; W69-A302 HydrophobicContact CE3-CB 4.2Å; F277-A302 WeakPolarHBondContact O-CA 3.26Å; I278-A302 HydrophobicContact CD1-CB 4.2Å
303H96.9Very high94.4Very high0 Ų030.7 Ų30.70%018%0.176CC..EExtended strand (participates in β ladder)trans-131.2143.6-174.8-173.842.7000111.4L65 V67 Q113 C119 A276 F277 V279 V305 N322 S323 W324L65-H303 HydrophobicContact CD2-CB 4.06Å; V67-H303 VanDerWaalsContact CG2-C 3.44Å; Q113-H303 PolarHBondContact OE1-CE1 3.14Å; C119-H303 WeakPolarHBondContact CB-CE1 3.35Å; C119-H303 WeakPolarHBondContact CB-ND1 3.29Å; C119-H303 PolarHBondContact SG-ND1 3.44Å; A276-H303 VanDerWaalsContact CA-O 3.25Å; A276-H303 WeakPolarHBondContact CA-O 3.28Å; F277-H303 HydrophobicContact CD1-CB 4.43Å; F277-H303 HydrophobicContact CE1-CB 3.93Å; F277-H303 AromaticContact CE1-CD2 3.8Å; F277-H303 HydrophobicContact CZ-CB 4.45Å; F277-H303 PolarHBondContact N-O 3.24Å; F277-H303 PolarHBondContact O-N 3.03Å; V279-H303 HydrophobicContact CG2-CB 3.48Å; V279-H303 VanDerWaalsContact CG2-CB 3.48Å; H303-V305 VanDerWaalsContact CD2-CG1 3.48Å; H303-V305 WeakPolarHBondContact CD2-CG1 3.01Å; H303-N322 PolarHBondContact NE2-OD1 3.47Å; H303-S323 PolarHBondContact CE1-OG 3.22Å; H303-W324 AromaticContact CD2-CZ2 3.59Å; H303-W324 AromaticContact CE1-CE2 3.85Å; H303-W324 AromaticContact CE1-CZ2 3.87Å; H303-W324 AromaticContact CE1-NE1 3.59Å; H303-W324 AromaticContact NE2-CE2 3.54Å; H303-W324 AromaticContact NE2-CZ2 3.48Å; H303-W324 WeakPolarHBondContact NE2-CZ2 3.01Å; H303-W324 AromaticContact NE2-NE1 3.68Å
304A96.4Very high94.2Very high0 Ų032.7 Ų32.70%020%0.196CC..EExtended strand (participates in β ladder)trans-108.5133.4179.700000110.4V67 C119 P165 V274 G275V67-A304 HydrophobicContact CG2-CB 3.44Å; V67-A304 VanDerWaalsContact CG2-CB 3.44Å; V67-A304 VanDerWaalsContact CG2-N 3.28Å; C119-A304 HydrophobicContact CB-CB 4.47Å; P165-A304 HydrophobicContact CG-CB 3.87Å; V274-A304 HydrophobicContact CG1-CB 4.16Å; G275-A304 WeakPolarHBondContact O-CA 3.34Å
305V98.3Very high94.2Very high1 Ų134 Ų341%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-139.5162.6-169.9-68.50000111.1V274 G275 F277 H303 I320 F334 I345V274-V305 WeakPolarHBondContact CA-O 3.09Å; G275-V305 PolarHBondContact N-O 3Å; G275-V305 PolarHBondContact O-N 2.78Å; F277-V305 HydrophobicContact CD1-CG1 4.41Å; F277-V305 HydrophobicContact CD1-CG2 4.06Å; F277-V305 HydrophobicContact CE1-CG1 3.71Å; F277-V305 HydrophobicContact CE1-CG2 4.1Å; H303-V305 VanDerWaalsContact CD2-CG1 3.48Å; H303-V305 WeakPolarHBondContact CD2-CG1 3.01Å; V305-I320 HydrophobicContact CB-CG2 3.47Å; V305-I320 VanDerWaalsContact CB-CG2 3.47Å; V305-I320 HydrophobicContact CG1-CG2 4.26Å; V305-I320 HydrophobicContact CG2-CD1 4.27Å; V305-I320 HydrophobicContact CG2-CG2 3.52Å; V305-F334 HydrophobicContact CB-CE1 4.48Å; V305-F334 HydrophobicContact CB-CZ 4.48Å; V305-F334 HydrophobicContact CG1-CE1 4.03Å; V305-F334 HydrophobicContact CG1-CZ 4.13Å; V305-F334 HydrophobicContact CG2-CZ 4.31Å; V305-I345 HydrophobicContact CG2-CD1 3.98Å
306R98.5Very high94.7Very high6 Ų631.5 Ų31.52%0.02319%0.185CC..EExtended strand (participates in β ladder)trans-102.5110.5-179.4176.4172.158.5121.35.3110.3I107 Y109 V127 D130 P272 V273 I308 I320 A321I107-R306 PolarHBondContact O-NH1 3.27Å; I107-R306 PolarHBondContact O-NH2 2.88Å; I107-R306 VanDerWaalsContact O-NH2 3.15Å; Y109-R306 PolarHBondContact O-NH2 3.3Å; V127-R306 HydrophobicContact CG2-CB 4.29Å; V127-R306 HydrophobicContact CG2-CG 3.67Å; D130-R306 IonicContact OD1-NH1 2.58Å; D130-R306 WeakPolarHBondContact OD2-CD 3.47Å; D130-R306 IonicContact OD2-CZ 3.86Å; D130-R306 IonicContact OD2-NE 2.63Å; D130-R306 IonicContact OD2-NH1 2.88Å; D130-R306 PolarHBondContact OD2-NH1 3.44Å; P272-R306 HydrophobicContact CB-CG 3.85Å; V273-R306 WeakPolarHBondContact O-CA 3.41Å; R306-I308 HydrophobicContact CG-CG2 3.81Å; R306-I320 WeakPolarHBondContact O-CA 3.41Å; R306-I320 WeakPolarHBondContact O-CG2 3.02Å; R306-A321 HydrophobicContact CB-CB 4.44Å; R306-A321 PolarHBondContact N-O 2.95Å; R306-A321 VanDerWaalsContact N-O 3.16Å; R306-A321 PolarHBondContact O-N 2.92Å
307I98.6Very high95.1Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-82.1120175.8-51.3174.1000108.2I267 P272 V273 W318 I320 I345 V349I267-I307 HydrophobicContact CD1-CB 4.24Å; I267-I307 HydrophobicContact CD1-CG2 3.68Å; P272-I307 VanDerWaalsContact CA-O 3.23Å; P272-I307 WeakPolarHBondContact CA-O 3.31Å; P272-I307 WeakPolarHBondContact CB-O 3.42Å; V273-I307 HydrophobicContact CG2-CB 3.83Å; V273-I307 HydrophobicContact CG2-CD1 4.18Å; V273-I307 HydrophobicContact CG2-CG1 4.34Å; V273-I307 PolarHBondContact N-O 3.17Å; V273-I307 VanDerWaalsContact N-O 3.14Å; V273-I307 PolarHBondContact O-N 3.43Å; I307-W318 HydrophobicContact CG2-CB 4.29Å; I307-W318 HydrophobicContact CG2-CD2 4.26Å; I307-W318 HydrophobicContact CG2-CE3 3.79Å; I307-W318 HydrophobicContact CG2-CZ3 4.5Å; I307-I320 HydrophobicContact CG1-CD1 4.08Å; I307-I320 HydrophobicContact CG1-CG1 4.14Å; I307-I320 HydrophobicContact CG2-CG1 4.47Å; I307-I345 HydrophobicContact CD1-CD1 4.41Å; I307-I345 HydrophobicContact CD1-CG1 4.39Å; I307-V349 HydrophobicContact CD1-CG2 4.26Å
308I98.7Very high95.4Very high1 Ų132.7 Ų32.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-112.8-4.7-173.763.5168.5000113.5A97 R98 P272 R306 L319 A321 L333A97-I308 HydrophobicContact CB-CB 4.34Å; A97-I308 WeakPolarHBondContact CB-O 3.23Å; A97-I308 PolarHBondContact N-O 2.92Å; R98-I308 HydrophobicContact CG-CD1 4.24Å; P272-I308 HydrophobicContact CB-CG2 4.08Å; P272-I308 HydrophobicContact CG-CB 4.32Å; P272-I308 HydrophobicContact CG-CG2 3.91Å; R306-I308 HydrophobicContact CG-CG2 3.81Å; I308-L319 HydrophobicContact CD1-CD2 3.88Å; I308-L319 HydrophobicContact CD1-CG 3.98Å; I308-L319 HydrophobicContact CG1-CB 4.34Å; I308-L319 HydrophobicContact CG1-CD2 3.9Å; I308-L319 HydrophobicContact CG1-CG 3.75Å; I308-L319 WeakPolarHBondContact CG1-O 3.15Å; I308-L319 PolarHBondContact N-O 2.93Å; I308-A321 HydrophobicContact CG2-CB 4.38Å; I308-L333 HydrophobicContact CD1-CD2 3.91Å
309G98.6Very high95.6Very high0 Ų028.3 Ų28.30%017%0.168CC..EExtended strand (participates in β ladder)trans170.6-167.1-178.900000113.7F95 L319F95-G309 CarbonylContact O-C 3.51Å; F95-G309 WeakPolarHBondContact O-CA 3.29Å; G309-L319 PolarHBondContact N-O 3.08Å; G309-L319 PolarHBondContact O-N 2.95Å
310W98.6Very high95.8Very high2 Ų224.4 Ų24.41%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-152.8164.9179.562.287.1000110.6P92 E94 F95 M264 I267 Y268 Y317 W318P92-W310 HydrophobicContact CG-CZ2 4.16Å; P92-W310 PolarHBondContact O-NE1 2.89Å; E94-W310 WeakPolarHBondContact CA-O 3.26Å; F95-W310 HydrophobicContact CB-CD2 3.68Å; F95-W310 HydrophobicContact CB-CE3 3.83Å; F95-W310 HydrophobicContact CB-CG 4.43Å; F95-W310 HydrophobicContact CB-CH2 3.47Å; F95-W310 VanDerWaalsContact CB-CH2 3.47Å; F95-W310 HydrophobicContact CB-CZ2 3.33Å; F95-W310 HydrophobicContact CB-CZ3 3.72Å; F95-W310 HydrophobicContact CD1-CE3 4.13Å; F95-W310 AromaticContact CD1-CH2 3.84Å; F95-W310 HydrophobicContact CD1-CH2 3.84Å; F95-W310 AromaticContact CD1-CZ3 3.58Å; F95-W310 HydrophobicContact CD1-CZ3 3.58Å; F95-W310 HydrophobicContact CD2-CH2 4.14Å; F95-W310 HydrophobicContact CD2-CZ2 4.46Å; F95-W310 HydrophobicContact CE1-CZ3 4.41Å; F95-W310 HydrophobicContact CG-CE3 4.29Å; F95-W310 AromaticContact CG-CH2 3.54Å; F95-W310 HydrophobicContact CG-CH2 3.54Å; F95-W310 AromaticContact CG-CZ2 3.9Å; F95-W310 HydrophobicContact CG-CZ2 3.9Å; F95-W310 AromaticContact CG-CZ3 3.75Å; F95-W310 HydrophobicContact CG-CZ3 3.75Å; F95-W310 PolarHBondContact N-O 3.29Å; F95-W310 PolarHBondContact O-N 3.44Å; F95-W310 VanDerWaalsContact O-O 3.08Å; M264-W310 HydrophobicContact CB-CD2 4.4Å; M264-W310 HydrophobicContact CB-CE3 4.21Å; M264-W310 HydrophobicContact CB-CH2 4.01Å; M264-W310 HydrophobicContact CB-CZ2 4.16Å; M264-W310 HydrophobicContact CB-CZ3 4.03Å; M264-W310 HydrophobicContact CE-CD2 3.98Å; M264-W310 VanDerWaalsContact CE-CE2 3.45Å; M264-W310 HydrophobicContact CE-CG 4.11Å; M264-W310 HydrophobicContact CE-CZ2 3.94Å; M264-W310 VanDerWaalsContact CE-NE1 3.25Å; M264-W310 HydrophobicContact CG-CD2 4.02Å; M264-W310 HydrophobicContact CG-CE3 4.12Å; M264-W310 HydrophobicContact CG-CG 4.5Å; M264-W310 HydrophobicContact CG-CZ3 4.45Å; M264-W310 VanDerWaalsContact O-CH2 3.29Å; M264-W310 WeakPolarHBondContact O-CH2 3.24Å; M264-W310 WeakPolarHBondContact O-CZ3 3.45Å; I267-W310 HydrophobicContact CB-CZ3 3.92Å; I267-W310 HydrophobicContact CG2-CE3 4.47Å; I267-W310 HydrophobicContact CG2-CZ3 3.79Å; Y268-W310 HydrophobicContact CD2-CH2 4.24Å; W310-Y317 VanDerWaalsContact CA-O 3.26Å; W310-Y317 WeakPolarHBondContact CA-O 3.35Å; W310-Y317 VanDerWaalsContact CB-O 3.32Å; W310-Y317 WeakPolarHBondContact CB-O 3.36Å; W310-W318 HydrophobicContact CB-CE3 3.88Å; W310-W318 HydrophobicContact CB-CZ3 4.03Å; W310-W318 HydrophobicContact CD2-CZ3 4.49Å; W310-W318 HydrophobicContact CE3-CZ3 4.06Å
311G97.7Very high96Very high0 Ų022.6 Ų22.60%013%0.133CC..EExtended strand (participates in β ladder)trans-165.5-169.7170.300000111.9Y317 R338G311-Y317 VanDerWaalsContact CA-CZ 3.49Å; G311-Y317 PolarHBondContact N-O 3.44Å; G311-Y317 VanDerWaalsContact N-O 3.09Å; G311-Y317 WeakPolarHBondContact O-CD1 3.39Å; G311-Y317 PolarHBondContact O-N 2.64Å; G311-R338 PolarHBondContact O-NH2 3.12Å
312K93.5Very high96.2Very high135 Ų13521.7 Ų21.759%0.58712%0.121SC*.EExtended strand (participates in β ladder)trans-145.8120.6176.5-177.7-178.9176.8-176.90109.4
313S86.5Confident96.4Very high70 Ų7021.5 Ų21.549%0.4912%0.12SC..SBendtrans-108.3-103.6166.563.50000109.2I290 K315I290-S313 WeakPolarHBondContact CD1-OG 3.25Å; S313-K315 PolarHBondContact N-O 2.88Å
314S87Confident96.4Very high93 Ų9321.5 Ų21.565%0.6512%0.12SC*.SBendtrans-74.3-33.5168.257.50000112.3
315K91Very high96.3Very high44 Ų4423 Ų2319%0.19113%0.13CC..SBendtrans-131.8155.2177-65179.7-174.9170.70109.9T41 I290 S313 L337T41-K315 PolarHBondContact O-NZ 3.41Å; I290-K315 HydrophobicContact CD1-CB 3.82Å; I290-K315 WeakPolarHBondContact CD1-O 3.26Å; S313-K315 PolarHBondContact N-O 2.88Å; K315-L337 HydrophobicContact CB-CD1 3.9Å; K315-L337 HydrophobicContact CD-CD1 3.98Å; K315-L337 HydrophobicContact CG-CD1 4.44Å
316P95.8Very high96.2Very high41 Ų4128.7 Ų28.727%0.26616%0.156SC..EExtended strand (participates in β ladder)trans-65142168.428.7-34.8000110.4L337 R338P316-L337 HydrophobicContact CG-CD1 4.45Å; P316-R338 HydrophobicContact CB-CB 4.33Å; P316-R338 WeakPolarHBondContact CG-O 3.46Å; P316-R338 PolarHBondContact O-N 2.87Å
317Y97.4Very high96.1Very high30 Ų3031.9 Ų31.912%0.11818%0.177CC..EExtended strand (participates in β ladder)trans-140.2157.5178.663.3-95.7000113.2I290 W310 G311 L319 R335 I336 R338I290-Y317 HydrophobicContact CD1-CD1 3.73Å; I290-Y317 HydrophobicContact CD1-CG 4.36Å; I290-Y317 HydrophobicContact CG1-CD1 4.07Å; I290-Y317 HydrophobicContact CG1-CG 4.34Å; W310-Y317 VanDerWaalsContact CA-O 3.26Å; W310-Y317 WeakPolarHBondContact CA-O 3.35Å; W310-Y317 VanDerWaalsContact CB-O 3.32Å; W310-Y317 WeakPolarHBondContact CB-O 3.36Å; G311-Y317 VanDerWaalsContact CA-CZ 3.49Å; G311-Y317 PolarHBondContact N-O 3.44Å; G311-Y317 VanDerWaalsContact N-O 3.09Å; G311-Y317 WeakPolarHBondContact O-CD1 3.39Å; G311-Y317 PolarHBondContact O-N 2.64Å; Y317-L319 HydrophobicContact CE2-CB 4.33Å; Y317-R335 HydrophobicContact CD2-CB 3.91Å; Y317-R335 HydrophobicContact CD2-CG 3.59Å; Y317-R335 HydrophobicContact CE2-CG 3.87Å; Y317-R335 HydrophobicContact CG-CB 4.05Å; Y317-R335 HydrophobicContact CG-CG 4.15Å; Y317-I336 CarbonylContact C-O 3.52Å; Y317-I336 WeakPolarHBondContact CA-O 3.34Å; Y317-I336 WeakPolarHBondContact CB-O 3.5Å; Y317-R338 VanDerWaalsContact C-CB 3.49Å; Y317-R338 PolarHBondContact O-NE 2.91Å
318W98.4Very high95.9Very high0 Ų031.9 Ų31.90%018%0.177CC..EExtended strand (participates in β ladder)trans-89.7137.5159.5-67115.8000109.5E260 I263 M264 I267 I307 W310 I320 R335 I336 R338 E346E260-W318 HydrophobicContact CG-CH2 4.33Å; E260-W318 HydrophobicContact CG-CZ2 3.92Å; I263-W318 HydrophobicContact CB-CH2 3.73Å; I263-W318 HydrophobicContact CB-CZ2 4.11Å; I263-W318 HydrophobicContact CD1-CZ2 4.24Å; I263-W318 HydrophobicContact CG2-CH2 3.45Å; I263-W318 VanDerWaalsContact CG2-CH2 3.45Å; I263-W318 HydrophobicContact CG2-CZ2 3.94Å; I263-W318 HydrophobicContact CG2-CZ3 3.87Å; M264-W318 HydrophobicContact CB-CH2 4.48Å; M264-W318 HydrophobicContact CG-CH2 3.51Å; M264-W318 HydrophobicContact CG-CZ3 3.85Å; I267-W318 HydrophobicContact CD1-CZ3 4.2Å; I307-W318 HydrophobicContact CG2-CB 4.29Å; I307-W318 HydrophobicContact CG2-CD2 4.26Å; I307-W318 HydrophobicContact CG2-CE3 3.79Å; I307-W318 HydrophobicContact CG2-CZ3 4.5Å; W310-W318 HydrophobicContact CB-CE3 3.88Å; W310-W318 HydrophobicContact CB-CZ3 4.03Å; W310-W318 HydrophobicContact CD2-CZ3 4.49Å; W310-W318 HydrophobicContact CE3-CZ3 4.06Å; W318-I320 HydrophobicContact CB-CD1 4.06Å; W318-I320 HydrophobicContact CB-CG1 4Å; W318-R335 VanDerWaalsContact O-CA 3.26Å; W318-R335 WeakPolarHBondContact O-CA 2.99Å; W318-I336 HydrophobicContact CB-CG2 3.91Å; W318-I336 PolarHBondContact N-O 3.5Å; W318-I336 PolarHBondContact O-N 3.45Å; W318-R338 HydrophobicContact CD2-CB 4.21Å; W318-R338 HydrophobicContact CD2-CG 4.01Å; W318-R338 VanDerWaalsContact CE2-CG 3.49Å; W318-R338 HydrophobicContact CG-CB 4.02Å; W318-R338 HydrophobicContact CG-CG 4.35Å; W318-R338 HydrophobicContact CH2-CG 4.5Å; W318-R338 HydrophobicContact CZ2-CG 3.78Å; W318-E346 HydrophobicContact CZ2-CG 4.45Å; W318-E346 PolarHBondContact NE1-OE1 3.37Å
319L98.6Very high95.8Very high15 Ų1533 Ų338%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-95.6120.3171.8177.665.4000108.8D96 I308 G309 Y317 R335D96-L319 HydrophobicContact CB-CD2 4.44Å; I308-L319 HydrophobicContact CD1-CD2 3.88Å; I308-L319 HydrophobicContact CD1-CG 3.98Å; I308-L319 HydrophobicContact CG1-CB 4.34Å; I308-L319 HydrophobicContact CG1-CD2 3.9Å; I308-L319 HydrophobicContact CG1-CG 3.75Å; I308-L319 WeakPolarHBondContact CG1-O 3.15Å; I308-L319 PolarHBondContact N-O 2.93Å; G309-L319 PolarHBondContact N-O 3.08Å; G309-L319 PolarHBondContact O-N 2.95Å; Y317-L319 HydrophobicContact CE2-CB 4.33Å; L319-R335 HydrophobicContact CD1-CG 4.18Å
320I98.7Very high95.7Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-128.8133.9-167.7-54.8-170.8000110.8V305 R306 I307 W318 L333 F334 I336 I345V305-I320 HydrophobicContact CB-CG2 3.47Å; V305-I320 VanDerWaalsContact CB-CG2 3.47Å; V305-I320 HydrophobicContact CG1-CG2 4.26Å; V305-I320 HydrophobicContact CG2-CD1 4.27Å; V305-I320 HydrophobicContact CG2-CG2 3.52Å; R306-I320 WeakPolarHBondContact O-CA 3.41Å; R306-I320 WeakPolarHBondContact O-CG2 3.02Å; I307-I320 HydrophobicContact CG1-CD1 4.08Å; I307-I320 HydrophobicContact CG1-CG1 4.14Å; I307-I320 HydrophobicContact CG2-CG1 4.47Å; W318-I320 HydrophobicContact CB-CD1 4.06Å; W318-I320 HydrophobicContact CB-CG1 4Å; I320-L333 CarbonylContact O-C 3.15Å; I320-L333 VanDerWaalsContact O-CA 3.24Å; I320-L333 WeakPolarHBondContact O-CA 3.06Å; I320-F334 HydrophobicContact CB-CD1 4.04Å; I320-F334 HydrophobicContact CB-CD2 4.41Å; I320-F334 HydrophobicContact CB-CE1 3.69Å; I320-F334 HydrophobicContact CB-CE2 4.09Å; I320-F334 HydrophobicContact CB-CG 4.4Å; I320-F334 HydrophobicContact CB-CZ 3.72Å; I320-F334 HydrophobicContact CD1-CE2 3.8Å; I320-F334 HydrophobicContact CD1-CZ 3.8Å; I320-F334 HydrophobicContact CG1-CE2 4.36Å; I320-F334 HydrophobicContact CG1-CZ 4.3Å; I320-F334 HydrophobicContact CG2-CD1 4.11Å; I320-F334 HydrophobicContact CG2-CE1 3.33Å; I320-F334 HydrophobicContact CG2-CE2 4.3Å; I320-F334 HydrophobicContact CG2-CZ 3.46Å; I320-F334 VanDerWaalsContact CG2-CZ 3.46Å; I320-F334 PolarHBondContact N-O 3.14Å; I320-F334 PolarHBondContact O-N 3.21Å; I320-I336 HydrophobicContact CD1-CG2 3.39Å; I320-I336 HydrophobicContact CG1-CG2 4.33Å; I320-I345 HydrophobicContact CD1-CD1 3.95Å; I320-I345 HydrophobicContact CD1-CG1 4.12Å
321A98.7Very high95.6Very high3 Ų343.1 Ų43.13%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-92.5123.1167.900000110.3I110 R306 I308 L333I110-A321 HydrophobicContact CD1-CB 3.77Å; R306-A321 HydrophobicContact CB-CB 4.44Å; R306-A321 PolarHBondContact N-O 2.95Å; R306-A321 VanDerWaalsContact N-O 3.16Å; R306-A321 PolarHBondContact O-N 2.92Å; I308-A321 HydrophobicContact CG2-CB 4.38Å; A321-L333 HydrophobicContact CB-CD2 3.92Å
322N98.3Very high95.6Very high7 Ų743.1 Ų43.14%0.03723%0.233CC..  trans-85.4175.2177.5-151.6-12000111.1H303 W324 F328 G332 F334H303-N322 PolarHBondContact NE2-OD1 3.47Å; N322-W324 WeakPolarHBondContact ND2-CZ3 3.44Å; N322-F328 HydrophobicContact CB-CD1 4.11Å; N322-F328 HydrophobicContact CB-CE1 4.27Å; N322-F328 WeakPolarHBondContact ND2-CD1 3.49Å; N322-F328 WeakPolarHBondContact ND2-CE1 3.48Å; N322-G332 WeakPolarHBondContact CB-O 3.45Å; N322-G332 PolarHBondContact N-O 2.94Å; N322-F334 HydrophobicContact CB-CD1 4.16Å; N322-F334 HydrophobicContact CB-CE1 4.17Å
323S98Very high95.8Very high4 Ų437.6 Ų37.63%0.02821%0.21CC..SBendtrans-114.229.4177.748.50000112.6K111 D112 Q113 H303K111-S323 CarbonylContact O-C 3.52Å; K111-S323 VanDerWaalsContact O-CA 3.24Å; K111-S323 WeakPolarHBondContact O-CA 3.04Å; D112-S323 WeakPolarHBondContact CA-O 3.41Å; Q113-S323 WeakPolarHBondContact CG-O 3.2Å; Q113-S323 PolarHBondContact N-O 2.02Å; Q113-S323 PolarHBondContact OE1-OG 3.43Å; H303-S323 PolarHBondContact CE1-OG 3.22Å
324W97.4Very high96.4Very high0 Ų034.2 Ų34.20%019%0.186CC..BIsolated β-bridgetrans-122.443.2-172.6-62.3-18.4000112Y52 F53 L64 L65 F283 F284 H303 N322 F328Y52-W324 HydrophobicContact CD1-CB 3.77Å; Y52-W324 HydrophobicContact CD1-CG 4.27Å; Y52-W324 HydrophobicContact CD2-CB 4.42Å; Y52-W324 WeakPolarHBondContact CD2-O 3.18Å; Y52-W324 HydrophobicContact CE1-CB 3.44Å; Y52-W324 VanDerWaalsContact CE1-CB 3.44Å; Y52-W324 AromaticContact CE1-CD1 4Å; Y52-W324 HydrophobicContact CE1-CD2 4.5Å; Y52-W324 AromaticContact CE1-CG 3.7Å; Y52-W324 HydrophobicContact CE1-CG 3.7Å; Y52-W324 HydrophobicContact CE2-CB 4.13Å; Y52-W324 WeakPolarHBondContact CE2-O 3.46Å; Y52-W324 HydrophobicContact CG-CB 4.23Å; Y52-W324 VanDerWaalsContact CZ-CA 3.44Å; F53-W324 HydrophobicContact CE1-CD2 4.48Å; F53-W324 HydrophobicContact CE1-CE3 4.34Å; F53-W324 HydrophobicContact CE2-CE3 4.17Å; F53-W324 HydrophobicContact CE2-CZ3 4.21Å; F53-W324 AromaticContact CZ-CD2 3.95Å; F53-W324 HydrophobicContact CZ-CD2 3.95Å; F53-W324 AromaticContact CZ-CE3 3.41Å; F53-W324 HydrophobicContact CZ-CE3 3.41Å; F53-W324 VanDerWaalsContact CZ-CE3 3.41Å; F53-W324 HydrophobicContact CZ-CH2 4.23Å; F53-W324 AromaticContact CZ-CZ3 3.57Å; F53-W324 HydrophobicContact CZ-CZ3 3.57Å; L64-W324 HydrophobicContact CB-CZ2 4.27Å; L65-W324 HydrophobicContact CD2-CZ2 4.18Å; F283-W324 AromaticContact CD1-CH2 3.94Å; F283-W324 HydrophobicContact CD1-CH2 3.94Å; F283-W324 AromaticContact CD1-CZ3 3.9Å; F283-W324 HydrophobicContact CD1-CZ3 3.9Å; F283-W324 AromaticContact CE1-CH2 3.72Å; F283-W324 HydrophobicContact CE1-CH2 3.72Å; F283-W324 AromaticContact CE1-CZ3 3.49Å; F283-W324 HydrophobicContact CE1-CZ3 3.49Å; F283-W324 VanDerWaalsContact CE1-CZ3 3.49Å; F284-W324 HydrophobicContact CD1-CH2 4.34Å; F284-W324 HydrophobicContact CE1-CH2 4.14Å; H303-W324 AromaticContact CD2-CZ2 3.59Å; H303-W324 AromaticContact CE1-CE2 3.85Å; H303-W324 AromaticContact CE1-CZ2 3.87Å; H303-W324 AromaticContact CE1-NE1 3.59Å; H303-W324 AromaticContact NE2-CE2 3.54Å; H303-W324 AromaticContact NE2-CZ2 3.48Å; H303-W324 WeakPolarHBondContact NE2-CZ2 3.01Å; H303-W324 AromaticContact NE2-NE1 3.68Å; N322-W324 WeakPolarHBondContact ND2-CZ3 3.44Å; W324-F328 HydrophobicContact CB-CB 4.08Å; W324-F328 HydrophobicContact CB-CG 4.29Å; W324-F328 HydrophobicContact CE3-CD1 4.39Å; W324-F328 AromaticContact CE3-CD2 3.61Å; W324-F328 HydrophobicContact CE3-CD2 3.61Å; W324-F328 HydrophobicContact CE3-CE1 4.33Å; W324-F328 AromaticContact CE3-CE2 3.55Å; W324-F328 HydrophobicContact CE3-CE2 3.55Å; W324-F328 HydrophobicContact CE3-CG 4.06Å; W324-F328 AromaticContact CE3-CZ 3.92Å; W324-F328 HydrophobicContact CE3-CZ 3.92Å; W324-F328 HydrophobicContact CZ3-CD2 4.22Å; W324-F328 AromaticContact CZ3-CE2 3.68Å; W324-F328 HydrophobicContact CZ3-CE2 3.68Å; W324-F328 AromaticContact CZ3-CZ 3.91Å; W324-F328 HydrophobicContact CZ3-CZ 3.91Å; W324-F328 WeakPolarHBondContact O-CB 3.45Å
325S95Very high96.8Very high32 Ų3231.8 Ų31.822%0.22416%0.163CC..  trans60.9171.4-178.4-176.10000114.3K111 T327 G332K111-S325 PolarHBondContact O-N 2.84Å; S325-T327 PolarHBondContact O-N 3.34Å; S325-G332 WeakPolarHBondContact O-CA 3.48Å
326E96.1Very high97.1Very high119 Ų11929.7 Ų29.756%0.55615%0.154SC*.THydrogen-bonded Turntrans-74.3-11.5174.3-64.4-171.9167.900112.7I110 F328 K331 G332I110-E326 HydrophobicContact CB-CG 3.86Å; I110-E326 HydrophobicContact CG1-CG 4.06Å; I110-E326 HydrophobicContact CG2-CG 4.41Å; E326-F328 PolarHBondContact O-N 2.58Å; E326-K331 CarbonylContact O-C 3.46Å; E326-K331 VanDerWaalsContact O-CA 3.25Å; E326-K331 WeakPolarHBondContact O-CA 3.32Å; E326-G332 PolarHBondContact O-N 3.33Å
327T94.7Very high97.1Very high74 Ų7428.3 Ų28.345%0.45414%0.144SC..THydrogen-bonded Turntrans-74.5-12.617754.50000113.3N50 Y52 S325N50-T327 PolarHBondContact OD1-O 2.79Å; Y52-T327 WeakPolarHBondContact CD2-OG1 3.28Å; S325-T327 PolarHBondContact O-N 3.34Å
328F96.2Very high97Very high0 Ų027.9 Ų27.90%014%0.142CC..SBendtrans-87.3131177.2173.3-90.8000112.2N50 F53 F283 Y286 N322 W324 E326 E330 G332 F334N50-F328 WeakPolarHBondContact ND2-CD2 3.2Å; N50-F328 WeakPolarHBondContact OD1-CA 3.16Å; F53-F328 AromaticContact CE2-CD2 3.82Å; F53-F328 HydrophobicContact CE2-CD2 3.82Å; F53-F328 AromaticContact CE2-CE2 3.87Å; F53-F328 HydrophobicContact CE2-CE2 3.87Å; F53-F328 HydrophobicContact CZ-CD2 4.22Å; F53-F328 HydrophobicContact CZ-CE2 4.35Å; F283-F328 AromaticContact CE1-CZ 3.99Å; F283-F328 HydrophobicContact CE1-CZ 3.99Å; F283-F328 HydrophobicContact CZ-CE1 4.38Å; F283-F328 AromaticContact CZ-CZ 3.88Å; F283-F328 HydrophobicContact CZ-CZ 3.88Å; Y286-F328 HydrophobicContact CD1-CE1 4.2Å; Y286-F328 HydrophobicContact CD1-CZ 4.08Å; N322-F328 HydrophobicContact CB-CD1 4.11Å; N322-F328 HydrophobicContact CB-CE1 4.27Å; N322-F328 WeakPolarHBondContact ND2-CD1 3.49Å; N322-F328 WeakPolarHBondContact ND2-CE1 3.48Å; W324-F328 HydrophobicContact CB-CB 4.08Å; W324-F328 HydrophobicContact CB-CG 4.29Å; W324-F328 HydrophobicContact CE3-CD1 4.39Å; W324-F328 AromaticContact CE3-CD2 3.61Å; W324-F328 HydrophobicContact CE3-CD2 3.61Å; W324-F328 HydrophobicContact CE3-CE1 4.33Å; W324-F328 AromaticContact CE3-CE2 3.55Å; W324-F328 HydrophobicContact CE3-CE2 3.55Å; W324-F328 HydrophobicContact CE3-CG 4.06Å; W324-F328 AromaticContact CE3-CZ 3.92Å; W324-F328 HydrophobicContact CE3-CZ 3.92Å; W324-F328 HydrophobicContact CZ3-CD2 4.22Å; W324-F328 AromaticContact CZ3-CE2 3.68Å; W324-F328 HydrophobicContact CZ3-CE2 3.68Å; W324-F328 AromaticContact CZ3-CZ 3.91Å; W324-F328 HydrophobicContact CZ3-CZ 3.91Å; W324-F328 WeakPolarHBondContact O-CB 3.45Å; E326-F328 PolarHBondContact O-N 2.58Å; F328-E330 PolarHBondContact O-N 3.35Å; F328-G332 WeakPolarHBondContact O-CA 3.37Å; F328-G332 PolarHBondContact O-N 3.12Å; F328-F334 HydrophobicContact CE1-CB 4.33Å; F328-F334 HydrophobicContact CE1-CD1 4.27Å
329G95.5Very high96.8Very high23 Ų2329.7 Ų29.724%0.23716%0.161CC..THydrogen-bonded Turntrans58.8-133.9166.200000113.3N50 T287 K331N50-G329 PolarHBondContact ND2-N 3.19Å; T287-G329 CarbonylContact O-C 3.29Å; T287-G329 VanDerWaalsContact O-C 3.29Å; T287-G329 WeakPolarHBondContact O-CA 3.42Å; G329-K331 VanDerWaalsContact C-N 3.3Å; G329-K331 PolarHBondContact O-N 2.8Å
330E96.2Very high96.5Very high52 Ų5233 Ų3324%0.24318%0.182CC..BIsolated β-bridgetrans-84.565.1-178.9-62.1-178.1-12100111.5Y286 D288 F328 L333 R335Y286-E330 HydrophobicContact CE1-CG 4.48Å; Y286-E330 PolarHBondContact OH-OE1 3.02Å; D288-E330 HydrophobicContact CB-CG 4.39Å; D288-E330 WeakPolarHBondContact OD1-CG 3.5Å; F328-E330 PolarHBondContact O-N 3.35Å; E330-L333 HydrophobicContact CB-CB 4.22Å; E330-L333 PolarHBondContact N-O 2.87Å; E330-L333 WeakPolarHBondContact O-CB 3.37Å; E330-L333 PolarHBondContact O-N 3.33Å; E330-R335 IonicContact OE1-CZ 3.97Å; E330-R335 IonicContact OE1-NE 2.82Å; E330-R335 PolarHBondContact OE1-NE 3.44Å; E330-R335 IonicContact OE1-NH2 3.18Å; E330-R335 PolarHBondContact OE1-NH2 2.75Å; E330-R335 IonicContact OE2-CZ 2.72Å; E330-R335 IonicContact OE2-NE 3.15Å; E330-R335 PolarHBondContact OE2-NE 3.42Å; E330-R335 IonicContact OE2-NH2 3.48Å; E330-R335 PolarHBondContact OE2-NH2 3.24Å; E330-R335 VanDerWaalsContact OE2-NH2 3.15Å
331K96.9Very high96.1Very high163 Ų16335.3 Ų35.371%0.70919%0.194SC*.THydrogen-bonded Turntrans59.548.2-175-54.6-176.4179.5-177.50113.1E326 G329 L333E326-K331 CarbonylContact O-C 3.46Å; E326-K331 VanDerWaalsContact O-CA 3.25Å; E326-K331 WeakPolarHBondContact O-CA 3.32Å; G329-K331 VanDerWaalsContact C-N 3.3Å; G329-K331 PolarHBondContact O-N 2.8Å; K331-L333 VanDerWaalsContact C-N 3.27Å; K331-L333 PolarHBondContact O-N 2.93Å
332G97.7Very high95.9Very high0 Ų035.8 Ų35.80%020%0.196CC..THydrogen-bonded Turntrans820.7-176.700000114.7N322 S325 E326 F328N322-G332 WeakPolarHBondContact CB-O 3.45Å; N322-G332 PolarHBondContact N-O 2.94Å; S325-G332 WeakPolarHBondContact O-CA 3.48Å; E326-G332 PolarHBondContact O-N 3.33Å; F328-G332 WeakPolarHBondContact O-CA 3.37Å; F328-G332 PolarHBondContact O-N 3.12Å
333L98.3Very high95.7Very high19 Ų1936 Ų3610%0.09920%0.197CC..EExtended strand (participates in β ladder)trans-102.3160.1176.2-56.4160.3000110.6I110 I308 I320 A321 E330 K331I110-L333 HydrophobicContact CD1-CD2 4.04Å; I110-L333 HydrophobicContact CD1-CG 4.41Å; I308-L333 HydrophobicContact CD1-CD2 3.91Å; I320-L333 CarbonylContact O-C 3.15Å; I320-L333 VanDerWaalsContact O-CA 3.24Å; I320-L333 WeakPolarHBondContact O-CA 3.06Å; A321-L333 HydrophobicContact CB-CD2 3.92Å; E330-L333 HydrophobicContact CB-CB 4.22Å; E330-L333 PolarHBondContact N-O 2.87Å; E330-L333 WeakPolarHBondContact O-CB 3.37Å; E330-L333 PolarHBondContact O-N 3.33Å; K331-L333 VanDerWaalsContact C-N 3.27Å; K331-L333 PolarHBondContact O-N 2.93Å
334F97.7Very high95.4Very high0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-146.4163.7163.268.3-81.1000110.5F277 F283 Y286 V305 I320 N322 F328 I336F277-F334 HydrophobicContact CE1-CZ 4.08Å; F277-F334 HydrophobicContact CZ-CE2 4.44Å; F277-F334 HydrophobicContact CZ-CZ 4.03Å; F283-F334 AromaticContact CE2-CD2 3.72Å; F283-F334 HydrophobicContact CE2-CD2 3.72Å; F283-F334 AromaticContact CE2-CE2 3.87Å; F283-F334 HydrophobicContact CE2-CE2 3.87Å; F283-F334 HydrophobicContact CE2-CG 4.12Å; F283-F334 HydrophobicContact CE2-CZ 4.39Å; F283-F334 HydrophobicContact CZ-CD1 4.03Å; F283-F334 AromaticContact CZ-CD2 3.85Å; F283-F334 HydrophobicContact CZ-CD2 3.85Å; F283-F334 AromaticContact CZ-CE1 3.98Å; F283-F334 HydrophobicContact CZ-CE1 3.98Å; F283-F334 AromaticContact CZ-CE2 3.79Å; F283-F334 HydrophobicContact CZ-CE2 3.79Å; F283-F334 AromaticContact CZ-CG 3.96Å; F283-F334 HydrophobicContact CZ-CG 3.96Å; F283-F334 AromaticContact CZ-CZ 3.84Å; F283-F334 HydrophobicContact CZ-CZ 3.84Å; Y286-F334 HydrophobicContact CD1-CB 3.75Å; Y286-F334 HydrophobicContact CE1-CB 3.21Å; Y286-F334 HydrophobicContact CE2-CB 4.4Å; Y286-F334 WeakPolarHBondContact OH-CA 3.19Å; V305-F334 HydrophobicContact CB-CE1 4.48Å; V305-F334 HydrophobicContact CB-CZ 4.48Å; V305-F334 HydrophobicContact CG1-CE1 4.03Å; V305-F334 HydrophobicContact CG1-CZ 4.13Å; V305-F334 HydrophobicContact CG2-CZ 4.31Å; I320-F334 HydrophobicContact CB-CD1 4.04Å; I320-F334 HydrophobicContact CB-CD2 4.41Å; I320-F334 HydrophobicContact CB-CE1 3.69Å; I320-F334 HydrophobicContact CB-CE2 4.09Å; I320-F334 HydrophobicContact CB-CG 4.4Å; I320-F334 HydrophobicContact CB-CZ 3.72Å; I320-F334 HydrophobicContact CD1-CE2 3.8Å; I320-F334 HydrophobicContact CD1-CZ 3.8Å; I320-F334 HydrophobicContact CG1-CE2 4.36Å; I320-F334 HydrophobicContact CG1-CZ 4.3Å; I320-F334 HydrophobicContact CG2-CD1 4.11Å; I320-F334 HydrophobicContact CG2-CE1 3.33Å; I320-F334 HydrophobicContact CG2-CE2 4.3Å; I320-F334 HydrophobicContact CG2-CZ 3.46Å; I320-F334 VanDerWaalsContact CG2-CZ 3.46Å; I320-F334 PolarHBondContact N-O 3.14Å; I320-F334 PolarHBondContact O-N 3.21Å; N322-F334 HydrophobicContact CB-CD1 4.16Å; N322-F334 HydrophobicContact CB-CE1 4.17Å; F328-F334 HydrophobicContact CE1-CB 4.33Å; F328-F334 HydrophobicContact CE1-CD1 4.27Å; F334-I336 HydrophobicContact CD2-CB 4.32Å; F334-I336 HydrophobicContact CE2-CB 4.09Å; F334-I336 HydrophobicContact CE2-CG2 4.22Å
335R97.4Very high95.1Very high42 Ų4239.9 Ų39.916%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-116.7132.7172.3-65.7170.8-74.2177-2109.2Y286 D288 I290 Y291 Y317 W318 L319 E330Y286-R335 PolarHBondContact OH-N 3.42Å; D288-R335 IonicContact OD1-CZ 3.42Å; D288-R335 IonicContact OD1-NH2 3.79Å; D288-R335 PolarHBondContact OD1-NH2 3.36Å; I290-R335 HydrophobicContact CG1-CB 4.44Å; Y291-R335 VanDerWaalsContact CB-O 3.27Å; Y291-R335 WeakPolarHBondContact CB-O 3.4Å; Y291-R335 PolarHBondContact N-O 3.05Å; Y317-R335 HydrophobicContact CD2-CB 3.91Å; Y317-R335 HydrophobicContact CD2-CG 3.59Å; Y317-R335 HydrophobicContact CE2-CG 3.87Å; Y317-R335 HydrophobicContact CG-CB 4.05Å; Y317-R335 HydrophobicContact CG-CG 4.15Å; W318-R335 VanDerWaalsContact O-CA 3.26Å; W318-R335 WeakPolarHBondContact O-CA 2.99Å; L319-R335 HydrophobicContact CD1-CG 4.18Å; E330-R335 IonicContact OE1-CZ 3.97Å; E330-R335 IonicContact OE1-NE 2.82Å; E330-R335 PolarHBondContact OE1-NE 3.44Å; E330-R335 IonicContact OE1-NH2 3.18Å; E330-R335 PolarHBondContact OE1-NH2 2.75Å; E330-R335 IonicContact OE2-CZ 2.72Å; E330-R335 IonicContact OE2-NE 3.15Å; E330-R335 PolarHBondContact OE2-NE 3.42Å; E330-R335 IonicContact OE2-NH2 3.48Å; E330-R335 PolarHBondContact OE2-NH2 3.24Å; E330-R335 VanDerWaalsContact OE2-NH2 3.15Å
336I95.9Very high94.9Very high0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-122.6146.5176.8-174.5166.6000109.9F277 Y291 Y317 W318 I320 F334 R338 E342 C343 I345F277-I336 HydrophobicContact CD2-CD1 4.29Å; Y291-I336 HydrophobicContact CD1-CB 4.41Å; Y291-I336 HydrophobicContact CD1-CD1 3.79Å; Y291-I336 HydrophobicContact CD1-CG1 3.85Å; Y291-I336 HydrophobicContact CE1-CD1 4.15Å; Y291-I336 WeakPolarHBondContact O-CA 3.3Å; Y317-I336 CarbonylContact C-O 3.52Å; Y317-I336 WeakPolarHBondContact CA-O 3.34Å; Y317-I336 WeakPolarHBondContact CB-O 3.5Å; W318-I336 HydrophobicContact CB-CG2 3.91Å; W318-I336 PolarHBondContact N-O 3.5Å; W318-I336 PolarHBondContact O-N 3.45Å; I320-I336 HydrophobicContact CD1-CG2 3.39Å; I320-I336 HydrophobicContact CG1-CG2 4.33Å; F334-I336 HydrophobicContact CD2-CB 4.32Å; F334-I336 HydrophobicContact CE2-CB 4.09Å; F334-I336 HydrophobicContact CE2-CG2 4.22Å; I336-R338 PolarHBondContact O-N 3.49Å; I336-E342 HydrophobicContact CD1-CB 4.33Å; I336-E342 HydrophobicContact CD1-CG 4.05Å; I336-E342 HydrophobicContact CG1-CB 4.09Å; I336-E342 HydrophobicContact CG1-CG 3.84Å; I336-C343 HydrophobicContact CD1-CB 4.43Å; I336-I345 HydrophobicContact CD1-CB 4.32Å; I336-I345 HydrophobicContact CD1-CG2 4.36Å; I336-I345 HydrophobicContact CG2-CG1 4.21Å; I336-I345 HydrophobicContact CG2-CG2 4.48Å
337L95.4Very high94.1Very high12 Ų1235.3 Ų35.36%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-52.5126.9179.1-17762.6000111.2I290 Y291 Q292 K315 P316 T340 E342I290-L337 HydrophobicContact CG2-CB 4.33Å; Y291-L337 PolarHBondContact O-N 2.74Å; Q292-L337 HydrophobicContact CG-CD2 4.29Å; K315-L337 HydrophobicContact CB-CD1 3.9Å; K315-L337 HydrophobicContact CD-CD1 3.98Å; K315-L337 HydrophobicContact CG-CD1 4.44Å; P316-L337 HydrophobicContact CG-CD1 4.45Å; L337-T340 HydrophobicContact CD2-CG2 4.17Å; L337-T340 WeakPolarHBondContact CD2-OG1 3.32Å; L337-T340 HydrophobicContact CG-CG2 4.42Å; L337-T340 WeakPolarHBondContact CG-OG1 3.31Å; L337-E342 HydrophobicContact CB-CB 3.97Å; L337-E342 HydrophobicContact CB-CG 4.04Å; L337-E342 WeakPolarHBondContact O-CB 3.2Å
338R96.1Very high93.1Very high21 Ų2132 Ų328%0.07918%0.182CC..THydrogen-bonded Turntrans-103.8147.5-179.5167.2173.157.385.1-4111.2E260 G311 P316 Y317 W318 I336E260-R338 HydrophobicContact CG-CG 3.89Å; E260-R338 WeakPolarHBondContact OE1-CG 3.07Å; E260-R338 IonicContact OE1-CZ 2.74Å; E260-R338 IonicContact OE1-NH1 3.47Å; E260-R338 PolarHBondContact OE1-NH1 3.08Å; G311-R338 PolarHBondContact O-NH2 3.12Å; P316-R338 HydrophobicContact CB-CB 4.33Å; P316-R338 WeakPolarHBondContact CG-O 3.46Å; P316-R338 PolarHBondContact O-N 2.87Å; Y317-R338 VanDerWaalsContact C-CB 3.49Å; Y317-R338 PolarHBondContact O-NE 2.91Å; W318-R338 HydrophobicContact CD2-CB 4.21Å; W318-R338 HydrophobicContact CD2-CG 4.01Å; W318-R338 VanDerWaalsContact CE2-CG 3.49Å; W318-R338 HydrophobicContact CG-CB 4.02Å; W318-R338 HydrophobicContact CG-CG 4.35Å; W318-R338 HydrophobicContact CH2-CG 4.5Å; W318-R338 HydrophobicContact CZ2-CG 3.78Å; I336-R338 PolarHBondContact O-N 3.49Å
339G94.2Very high92.7Very high38 Ų3832 Ų3239%0.39218%0.182SC..THydrogen-bonded Turntrans89.10.8173.300000114.1E346G339-E346 PolarHBondContact N-OE1 3.04Å
340T91.6Very high92.4Very high83 Ų8331.4 Ų31.451%0.50917%0.174SC..THydrogen-bonded Turntrans-120.48.3178.361.10000112.7L337 E342L337-T340 HydrophobicContact CD2-CG2 4.17Å; L337-T340 WeakPolarHBondContact CD2-OG1 3.32Å; L337-T340 HydrophobicContact CG-CG2 4.42Å; L337-T340 WeakPolarHBondContact CG-OG1 3.31Å; T340-E342 PolarHBondContact O-N 3.28Å
341N92Very high92.1Very high49 Ų4929 Ų2926%0.26216%0.163SC..THydrogen-bonded Turntrans47.642.7-170.5-168.835000112.4C343 E344 I345 E346 G347N341-C343 PolarHBondContact O-N 2.04Å; N341-E344 PolarHBondContact ND2-OE2 2.04Å; N341-E344 PolarHBondContact O-N 3.23Å; N341-E344 VanDerWaalsContact OD1-CA 3.25Å; N341-E344 WeakPolarHBondContact OD1-CA 3.09Å; N341-E344 PolarHBondContact OD1-O 2.66Å; N341-I345 PolarHBondContact OD1-N 3.49Å; N341-E346 WeakPolarHBondContact CA-OE2 3.2Å; N341-E346 HydrophobicContact CB-CB 4.28Å; N341-E346 PolarHBondContact N-OE2 3.19Å; N341-E346 VanDerWaalsContact N-OE2 3.14Å; N341-E346 WeakPolarHBondContact OD1-CA 3.24Å; N341-E346 WeakPolarHBondContact OD1-CB 3.35Å; N341-E346 PolarHBondContact OD1-N 3.02Å; N341-G347 PolarHBondContact OD1-N 2.66Å; N341-G347 VanDerWaalsContact OD1-N 3.12Å
342E93.9Very high91.8Very high14 Ų1421.3 Ų21.37%0.06513%0.129CC..G310 helixtrans-54.1123.9-177.3-177.663.7-160.300110.4Q292 H293 I336 L337 T340 E344 I345Q292-E342 WeakPolarHBondContact CA-OE1 3.35Å; H293-E342 IonicContact CE1-OE1 2.8Å; H293-E342 IonicContact CG-OE1 3.19Å; H293-E342 PolarHBondContact N-OE1 3.13Å; H293-E342 IonicContact ND1-OE1 2.73Å; H293-E342 PolarHBondContact ND1-OE1 3.47Å; I336-E342 HydrophobicContact CD1-CB 4.33Å; I336-E342 HydrophobicContact CD1-CG 4.05Å; I336-E342 HydrophobicContact CG1-CB 4.09Å; I336-E342 HydrophobicContact CG1-CG 3.84Å; L337-E342 HydrophobicContact CB-CB 3.97Å; L337-E342 HydrophobicContact CB-CG 4.04Å; L337-E342 WeakPolarHBondContact O-CB 3.2Å; T340-E342 PolarHBondContact O-N 3.28Å; E342-E344 PolarHBondContact O-N 3.45Å; E342-E344 VanDerWaalsContact O-N 3.15Å; E342-I345 WeakPolarHBondContact O-CB 3.25Å; E342-I345 WeakPolarHBondContact O-CG2 3.41Å; E342-I345 PolarHBondContact O-N 2.76Å; E342-I345 VanDerWaalsContact O-N 3.11Å
343C92.9Very high91.5Very high10 Ų1023.8 Ų23.87%0.06814%0.139CC..G310 helixtrans53.430.4-175.8-54.10000114.1F277 I278 Y280 I336 N341 I345F277-C343 CarbonylContact C-O 3.58Å; F277-C343 VanDerWaalsContact CA-O 3.27Å; F277-C343 WeakPolarHBondContact CA-O 3.29Å; F277-C343 HydrophobicContact CB-CB 4.29Å; F277-C343 VanDerWaalsContact CB-O 3.3Å; F277-C343 WeakPolarHBondContact CB-O 2.98Å; F277-C343 HydrophobicContact CD2-CB 4.07Å; I278-C343 PolarHBondContact N-O 3.5Å; I278-C343 VanDerWaalsContact O-CB 3.32Å; I278-C343 WeakPolarHBondContact O-CB 3.46Å; Y280-C343 HydrophobicContact CE2-CB 4.21Å; I336-C343 HydrophobicContact CD1-CB 4.43Å; N341-C343 PolarHBondContact O-N 2.04Å; C343-I345 VanDerWaalsContact C-N 3.26Å; C343-I345 PolarHBondContact O-N 2.8Å
344E91.7Very high91.3Very high86 Ų8623.3 Ų23.340%0.40214%0.137SC..G310 helixtrans66.815-177.9-56-66.3159.700115.5W69 I278 N341 E342 E346 G347W69-E344 HydrophobicContact CH2-CB 3.89Å; W69-E344 HydrophobicContact CH2-CG 4.34Å; I278-E344 HydrophobicContact CG1-CB 4.43Å; I278-E344 HydrophobicContact CG1-CG 4.24Å; N341-E344 PolarHBondContact ND2-OE2 2.04Å; N341-E344 PolarHBondContact O-N 3.23Å; N341-E344 VanDerWaalsContact OD1-CA 3.25Å; N341-E344 WeakPolarHBondContact OD1-CA 3.09Å; N341-E344 PolarHBondContact OD1-O 2.66Å; E342-E344 PolarHBondContact O-N 3.45Å; E342-E344 VanDerWaalsContact O-N 3.15Å; E344-E346 PolarHBondContact O-N 3.07Å; E344-G347 PolarHBondContact O-N 3.04Å
345I92.5Very high91.1Very high1 Ų129 Ų291%0.00516%0.159CC..THydrogen-bonded Turntrans-58.5-25.2-174.6-17161.6000114.4F277 V305 I307 I320 I336 N341 E342 C343 V349F277-I345 HydrophobicContact CB-CB 3.98Å; F277-I345 HydrophobicContact CB-CD1 3.75Å; F277-I345 HydrophobicContact CB-CG1 4.42Å; F277-I345 HydrophobicContact CD1-CD1 4.05Å; F277-I345 HydrophobicContact CG-CD1 4.12Å; V305-I345 HydrophobicContact CG2-CD1 3.98Å; I307-I345 HydrophobicContact CD1-CD1 4.41Å; I307-I345 HydrophobicContact CD1-CG1 4.39Å; I320-I345 HydrophobicContact CD1-CD1 3.95Å; I320-I345 HydrophobicContact CD1-CG1 4.12Å; I336-I345 HydrophobicContact CD1-CB 4.32Å; I336-I345 HydrophobicContact CD1-CG2 4.36Å; I336-I345 HydrophobicContact CG2-CG1 4.21Å; I336-I345 HydrophobicContact CG2-CG2 4.48Å; N341-I345 PolarHBondContact OD1-N 3.49Å; E342-I345 WeakPolarHBondContact O-CB 3.25Å; E342-I345 WeakPolarHBondContact O-CG2 3.41Å; E342-I345 PolarHBondContact O-N 2.76Å; E342-I345 VanDerWaalsContact O-N 3.11Å; C343-I345 VanDerWaalsContact C-N 3.26Å; C343-I345 PolarHBondContact O-N 2.8Å; I345-V349 VanDerWaalsContact O-CG2 3.31Å; I345-V349 WeakPolarHBondContact O-CG2 3.14Å
346E90.6Very high90.9Very high15 Ų1530.1 Ų30.17%0.0717%0.167CC..THydrogen-bonded Turntrans-96.2-10.6-179.8-64.2164.4-178.600112.4I263 W318 G339 N341 E344I263-E346 HydrophobicContact CD1-CB 3.91Å; I263-E346 HydrophobicContact CD1-CG 3.93Å; W318-E346 HydrophobicContact CZ2-CG 4.45Å; W318-E346 PolarHBondContact NE1-OE1 3.37Å; G339-E346 PolarHBondContact N-OE1 3.04Å; N341-E346 WeakPolarHBondContact CA-OE2 3.2Å; N341-E346 HydrophobicContact CB-CB 4.28Å; N341-E346 PolarHBondContact N-OE2 3.19Å; N341-E346 VanDerWaalsContact N-OE2 3.14Å; N341-E346 WeakPolarHBondContact OD1-CA 3.24Å; N341-E346 WeakPolarHBondContact OD1-CB 3.35Å; N341-E346 PolarHBondContact OD1-N 3.02Å; E344-E346 PolarHBondContact O-N 3.07Å
347G79.2Confident90.6Very high39 Ų3933.4 Ų33.440%0.40219%0.189SC..THydrogen-bonded Turntrans-79.7-26.9-177.100000114.5N341 E344N341-G347 PolarHBondContact OD1-N 2.66Å; N341-G347 VanDerWaalsContact OD1-N 3.12Å; E344-G347 PolarHBondContact O-N 3.04Å
348G72.7Confident89.7Confident6 Ų645.8 Ų45.86%0.06224%0.242CC..SBendtrans-117.623.8-171.400000115.5V350G348-V350 PolarHBondContact O-N 3.31Å
349V88.8Confident89.4Confident0 Ų047.1 Ų47.10%025%0.25CS..EExtended strand (participates in β ladder)trans-77.1125.1-172.7-175.10000111.6S256 L257 I263 V273 V274 I307 I345S256-V349 VanDerWaalsContact CA-O 3.22Å; S256-V349 WeakPolarHBondContact CA-O 3.07Å; L257-V349 HydrophobicContact CB-CB 4.2Å; L257-V349 HydrophobicContact CB-CG1 4.2Å; L257-V349 HydrophobicContact CD1-CG1 3.96Å; L257-V349 PolarHBondContact N-O 3.28Å; I263-V349 HydrophobicContact CD1-CB 4.31Å; I263-V349 HydrophobicContact CD1-CG2 3.68Å; I263-V349 HydrophobicContact CG1-CB 4.21Å; I263-V349 HydrophobicContact CG1-CG1 4.23Å; I263-V349 HydrophobicContact CG1-CG2 4.08Å; I263-V349 HydrophobicContact CG2-CG1 4.36Å; V273-V349 HydrophobicContact CB-CG1 3.75Å; V273-V349 HydrophobicContact CG1-CG1 4.38Å; V273-V349 HydrophobicContact CG2-CG1 3.46Å; V273-V349 VanDerWaalsContact CG2-CG1 3.46Å; V274-V349 CarbonylContact O-C 3.4Å; V274-V349 VanDerWaalsContact O-CA 3.26Å; V274-V349 WeakPolarHBondContact O-CA 3.39Å; V274-V349 WeakPolarHBondContact O-CG1 3.48Å; I307-V349 HydrophobicContact CD1-CG2 4.26Å; I345-V349 VanDerWaalsContact O-CG2 3.31Å; I345-V349 WeakPolarHBondContact O-CG2 3.14Å
350V89.4Confident89.1Confident10 Ų1047.5 Ų47.56%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-132.7146.6-177.8-62.20000112.8P165 E166 F169 Y255 V274 G348P165-V350 HydrophobicContact CB-CG2 3.97Å; E166-V350 HydrophobicContact CB-CG1 4.2Å; F169-V350 HydrophobicContact CD2-CG2 4.05Å; F169-V350 HydrophobicContact CE2-CG2 3.92Å; Y255-V350 WeakPolarHBondContact O-CA 3.37Å; V274-V350 HydrophobicContact CB-CG2 4.02Å; V274-V350 HydrophobicContact CG1-CG2 4.45Å; V274-V350 PolarHBondContact N-O 2.81Å; V274-V350 PolarHBondContact O-N 2.7Å; G348-V350 PolarHBondContact O-N 3.31Å
351A90Very high89Confident1 Ų145.6 Ų45.61%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-160.7176.9169.900000112.7R131 G254 Y255 V273R131-A351 VanDerWaalsContact NH1-CB 3.29Å; G254-A351 VanDerWaalsContact CA-O 3.27Å; G254-A351 WeakPolarHBondContact CA-O 3.36Å; Y255-A351 PolarHBondContact N-O 3.09Å; Y255-A351 PolarHBondContact O-N 3.48Å; V273-A351 HydrophobicContact CB-CB 4.28Å; V273-A351 HydrophobicContact CG1-CB 3.91Å
352A89.6Confident88.8Confident1 Ų145.4 Ų45.41%0.00823%0.226CC..  trans-144.7166169.400000110.9R131 F169 W172R131-A352 WeakPolarHBondContact CD-O 3.23Å; R131-A352 PolarHBondContact NH1-O 3.33Å; F169-A352 HydrophobicContact CB-CB 4.31Å; F169-A352 HydrophobicContact CD1-CB 3.79Å; F169-A352 HydrophobicContact CG-CB 4.36Å; W172-A352 HydrophobicContact CE3-CB 4.12Å; W172-A352 HydrophobicContact CZ3-CB 3.91Å
353R91.1Very high88.5Confident53 Ų5347.3 Ų47.320%0.224%0.236CC..  trans-88148.5174-67.2-175.6177.1167.87.3110.8G228 K229 E252 H270G228-R353 CarbonylContact C-O 3.59Å; G228-R353 WeakPolarHBondContact CA-O 3.38Å; K229-R353 HydrophobicContact CD-CB 4.19Å; K229-R353 HydrophobicContact CG-CB 4.38Å; K229-R353 PolarHBondContact N-O 3.17Å; E252-R353 IonicContact OE1-NH1 2.8Å; E252-R353 PolarHBondContact OE1-NH1 3.3Å; E252-R353 IonicContact OE2-CZ 2.7Å; E252-R353 IonicContact OE2-NH1 2.76Å; E252-R353 PolarHBondContact OE2-NH1 3.28Å; H270-R353 PolarHBondContact CE1-NE 3.45Å; H270-R353 PolarHBondContact NE2-NE 3.2Å; H270-R353 PolarHBondContact NE2-NH2 3.4Å
354A94.2Very high88.2Confident8 Ų849.8 Ų49.87%0.06625%0.248CC..EExtended strand (participates in β ladder)trans-71.5145.1172.800000111.9Y132 A135 W172Y132-A354 HydrophobicContact CD2-CB 3.72Å; Y132-A354 HydrophobicContact CE2-CB 4.25Å; Y132-A354 HydrophobicContact CG-CB 4.15Å; A135-A354 HydrophobicContact CB-CB 3.94Å; W172-A354 HydrophobicContact CH2-CB 4.07Å; W172-A354 HydrophobicContact CZ2-CB 4.2Å
355R94.2Very high88Confident121 Ų12147.2 Ų47.246%0.45724%0.237SC..EExtended strand (participates in β ladder)trans-103.4102.8169.5-175178.272.6157.30.7108.7Y132 F227 K229Y132-R355 WeakPolarHBondContact CE2-O 3.14Å; Y132-R355 PolarHBondContact OH-O 3.43Å; Y132-R355 VanDerWaalsContact OH-O 3.1Å; F227-R355 HydrophobicContact CB-CB 4.2Å; F227-R355 WeakPolarHBondContact O-CB 3.49Å; F227-R355 PolarHBondContact O-N 3.13Å; K229-R355 HydrophobicContact CG-CB 4.12Å
356L93.6Very high87.6Confident64 Ų6450.8 Ų50.834%0.33525%0.254SS..  trans-76.3148.9177.5-57.6-177.9000110.9Y132 A135 F140Y132-L356 HydrophobicContact CD1-CD2 3.98Å; Y132-L356 HydrophobicContact CE1-CD2 3.57Å; Y132-L356 HydrophobicContact CE2-CD2 4.37Å; A135-L356 HydrophobicContact CB-CD1 4.34Å; A135-L356 HydrophobicContact CB-CD2 4.33Å; A135-L356 HydrophobicContact CB-CG 4.44Å; A135-L356 WeakPolarHBondContact O-CD1 3.36Å; F140-L356 HydrophobicContact CD2-CD2 4.47Å
357P88.7Confident87.4Confident70 Ų7053.8 Ų53.846%0.45527%0.27SS..  trans-59146.9164.828.3-35000109.5Y132 F140Y132-P357 WeakPolarHBondContact OH-CD 3.04Å; F140-P357 HydrophobicContact CE2-CG 3.71Å; F140-P357 HydrophobicContact CZ-CG 3.66Å
358K76.7Confident88.1Confident272 Ų27255.1 Ų55.1100%1.18326%0.258SS*.  trans-64.40176.3-74.1-173.4177.3-178.30111.6

Retrieved 358 of 358 residues in 964.6 ms (Link to these results)

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