A0A087X4B9_POEFO Loading...

F-actin-capping protein subunit beta

F-actin-capping proteins bind in a Ca(2+)-independent manner to the fast growing ends of actin filaments (barbed end) thereby blocking the exchange of subunits at these ends. Unlike other capping proteins (such as gelsolin and severin), these proteins do not sever actin filaments.

AlphaFold DB (A0A3P9NB09), UniProt , Accession A0A087X4B9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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
1M53.4Low86.7Confident203 Ų20385.7 Ų85.7100%145%0.447SS*.  0-47.60-84.8-178.6173.200110.4Q5M1-Q5 WeakPolarHBondContact O-CG 3.48Å; M1-Q5 PolarHBondContact O-N 3.36Å
2N70.5Confident87.4Confident69 Ų6984.8 Ų84.837%0.36944%0.443SS..Hα-helixtrans-59-45.7175-124.626000113.2Q4 Q5 L6N2-Q4 PolarHBondContact O-N 3.07Å; N2-Q5 WeakPolarHBondContact O-CB 3.3Å; N2-Q5 PolarHBondContact O-N 3.33Å; N2-L6 PolarHBondContact O-N 3.06Å
3D83.4Confident87.8Confident126 Ų12680.3 Ų80.367%0.67442%0.419SS*.Hα-helixtrans-59.8-42.2-178.6-56.7-2.5000113.3Q5 L6 D7D3-Q5 VanDerWaalsContact C-N 3.32Å; D3-Q5 PolarHBondContact O-N 3.37Å; D3-L6 PolarHBondContact O-N 2.91Å; D3-D7 PolarHBondContact O-N 2.95Å
4Q93Very high88Confident140 Ų14087.9 Ų87.965%0.65444%0.439SS*.Hα-helixtrans-66.5-36.4177.3-172.7-179.66.800111.6N2 C8N2-Q4 PolarHBondContact O-N 3.07Å; Q4-C8 WeakPolarHBondContact O-CB 3.43Å; Q4-C8 PolarHBondContact O-N 2.93Å; Q4-C8 PolarHBondContact O-SG 2.82Å
5Q92.9Very high88.3Confident88 Ų8894.1 Ų94.141%0.41146%0.455SS..Hα-helixtrans-67.3-40.3176-69.7177-66.200111.1M1 N2 D3 C8 A9 L35M1-Q5 WeakPolarHBondContact O-CG 3.48Å; M1-Q5 PolarHBondContact O-N 3.36Å; N2-Q5 WeakPolarHBondContact O-CB 3.3Å; N2-Q5 PolarHBondContact O-N 3.33Å; D3-Q5 VanDerWaalsContact C-N 3.32Å; D3-Q5 PolarHBondContact O-N 3.37Å; Q5-C8 PolarHBondContact O-N 3.21Å; Q5-A9 VanDerWaalsContact O-CB 3.27Å; Q5-A9 WeakPolarHBondContact O-CB 3.43Å; Q5-A9 PolarHBondContact O-N 3.21Å; Q5-L35 HydrophobicContact CB-CD1 3.87Å
6L91.9Very high88.6Confident31 Ų3191.7 Ų91.716%0.16245%0.445CS..Hα-helixtrans-61.7-47.9174.3-177.560.6000111.1N2 D3 C8 A9 L10 L35 D38 L39N2-L6 PolarHBondContact O-N 3.06Å; D3-L6 PolarHBondContact O-N 2.91Å; L6-C8 VanDerWaalsContact C-N 3.31Å; L6-C8 PolarHBondContact O-N 3.28Å; L6-A9 WeakPolarHBondContact O-CB 3.48Å; L6-A9 PolarHBondContact O-N 3.36Å; L6-A9 VanDerWaalsContact O-N 3.11Å; L6-L10 HydrophobicContact CD1-CD1 4.3Å; L6-L10 HydrophobicContact CD1-CG 4.18Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 HydrophobicContact CG-CG 4.42Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.47Å; L6-L35 HydrophobicContact CB-CD1 4.39Å; L6-L35 HydrophobicContact CB-CD2 4.37Å; L6-D38 HydrophobicContact CD1-CB 3.87Å; L6-D38 HydrophobicContact CD2-CB 4.12Å; L6-L39 HydrophobicContact CD1-CD2 4.07Å
7D93.3Very high88.6Confident105 Ų10589.9 Ų89.956%0.56144%0.442SS*.Hα-helixtrans-56.9-43.7176.1-77.2-21.6000112.2D3 D11D3-D7 PolarHBondContact O-N 2.95Å; D7-D11 WeakPolarHBondContact O-CB 3.39Å; D7-D11 PolarHBondContact O-N 3.17Å
8C94.9Very high88.6Confident76 Ų7687.8 Ų87.851%0.51444%0.436SS..Hα-helixtrans-66.2-39.6176.1-72.10000112.4Q4 Q5 L6 D11 L12Q4-C8 WeakPolarHBondContact O-CB 3.43Å; Q4-C8 PolarHBondContact O-N 2.93Å; Q4-C8 PolarHBondContact O-SG 2.82Å; Q5-C8 PolarHBondContact O-N 3.21Å; L6-C8 VanDerWaalsContact C-N 3.31Å; L6-C8 PolarHBondContact O-N 3.28Å; C8-D11 PolarHBondContact O-N 3.42Å; C8-L12 WeakPolarHBondContact O-CB 3.25Å; C8-L12 PolarHBondContact O-N 2.9Å
9A94.2Very high88.4Confident7 Ų787.9 Ų87.96%0.05844%0.436CS..Hα-helixtrans-64.7-44.5177.600000111.3Q5 L6 L12 M13 L28 L39Q5-A9 VanDerWaalsContact O-CB 3.27Å; Q5-A9 WeakPolarHBondContact O-CB 3.43Å; Q5-A9 PolarHBondContact O-N 3.21Å; L6-A9 WeakPolarHBondContact O-CB 3.48Å; L6-A9 PolarHBondContact O-N 3.36Å; L6-A9 VanDerWaalsContact O-N 3.11Å; A9-L12 WeakPolarHBondContact O-CB 3.49Å; A9-L12 PolarHBondContact O-N 2.86Å; A9-M13 WeakPolarHBondContact O-CG 3.45Å; A9-M13 PolarHBondContact O-N 3.28Å; A9-L28 HydrophobicContact CB-CD1 4.44Å; A9-L28 HydrophobicContact CB-CD2 3.96Å; A9-L28 HydrophobicContact CB-CG 4.48Å; A9-L39 HydrophobicContact CB-CD2 3.73Å
10L92.2Very high88.4Confident45 Ų4588.9 Ų88.924%0.23644%0.439CS..Hα-helixtrans-66.5-35.9174.5-62.9177.8000112.2L6 R14 V43L6-L10 HydrophobicContact CD1-CD1 4.3Å; L6-L10 HydrophobicContact CD1-CG 4.18Å; L6-L10 HydrophobicContact CG-CD1 4.14Å; L6-L10 HydrophobicContact CG-CG 4.42Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.47Å; L10-R14 WeakPolarHBondContact O-CG 3.28Å; L10-R14 PolarHBondContact O-N 3.23Å; L10-R14 PolarHBondContact O-NE 3.29Å; L10-V43 HydrophobicContact CD2-CG2 3.6Å
11D94.1Very high88.5Confident53 Ų5385.9 Ų85.928%0.28342%0.424SS..Hα-helixtrans-65.1-39.8171.2-172.969.1000112.2D7 C8 R14 R15D7-D11 WeakPolarHBondContact O-CB 3.39Å; D7-D11 PolarHBondContact O-N 3.17Å; C8-D11 PolarHBondContact O-N 3.42Å; D11-R14 PolarHBondContact O-N 2.9Å; D11-R14 IonicContact OD1-NH2 3.01Å; D11-R15 WeakPolarHBondContact O-CG 3.48Å; D11-R15 PolarHBondContact O-N 3.26Å; D11-R15 IonicContact OD1-CZ 3.4Å; D11-R15 IonicContact OD1-NE 2.75Å; D11-R15 PolarHBondContact OD1-NE 2.96Å; D11-R15 IonicContact OD1-NH2 3.17Å; D11-R15 PolarHBondContact OD1-NH2 3.3Å; D11-R15 IonicContact OD2-CZ 3.85Å; D11-R15 IonicContact OD2-NE 3.98Å; D11-R15 PolarHBondContact OD2-NE 3.02Å; D11-R15 IonicContact OD2-NH2 2.86Å; D11-R15 PolarHBondContact OD2-NH2 3.08Å
12L94.8Very high90.1Very high75 Ų7580.5 Ų80.539%0.39340%0.397SS..Hα-helixtrans-63.4-45.8176.9-174.262.7000111.3C8 A9 R14 R15 L16 L28C8-L12 WeakPolarHBondContact O-CB 3.25Å; C8-L12 PolarHBondContact O-N 2.9Å; A9-L12 WeakPolarHBondContact O-CB 3.49Å; A9-L12 PolarHBondContact O-N 2.86Å; L12-R14 PolarHBondContact O-N 3.34Å; L12-R15 PolarHBondContact O-N 3.31Å; L12-L16 HydrophobicContact CD1-CD1 4.23Å; L12-L16 HydrophobicContact CD1-CD2 4.3Å; L12-L16 HydrophobicContact CD1-CG 4.04Å; L12-L16 HydrophobicContact CD2-CD1 4.28Å; L12-L16 HydrophobicContact CG-CD1 3.8Å; L12-L16 HydrophobicContact CG-CG 4.06Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 3.21Å; L12-L28 HydrophobicContact CD2-CD1 4.21Å
13M92.6Very high91.2Very high26 Ų2683.4 Ų83.413%0.12841%0.406CS..Hα-helixtrans-63.5-26.7177.7-68.7-55.9-74.900113.3A9 R15 L16 I21 N24 L25 L28 V43A9-M13 WeakPolarHBondContact O-CG 3.45Å; A9-M13 PolarHBondContact O-N 3.28Å; M13-R15 VanDerWaalsContact C-N 3.3Å; M13-R15 PolarHBondContact O-N 3.07Å; M13-L16 HydrophobicContact SD-CD1 4.41Å; M13-I21 HydrophobicContact CE-CG1 3.72Å; M13-N24 HydrophobicContact CE-CB 3.96Å; M13-N24 HydrophobicContact SD-CB 3.88Å; M13-L25 HydrophobicContact CE-CB 4.03Å; M13-L28 HydrophobicContact CG-CD2 3.81Å; M13-L28 HydrophobicContact SD-CD2 3.97Å; M13-V43 HydrophobicContact CE-CG1 3.84Å; M13-V43 HydrophobicContact CG-CG1 4.35Å; M13-V43 HydrophobicContact CG-CG2 4.33Å
14R90.7Very high91.7Very high187 Ų18778.2 Ų78.271%0.70638%0.378SS*.Hα-helixtrans-74.8-15.5172.6-74.4-179.5-70.5167.4-1114L10 D11 L12L10-R14 WeakPolarHBondContact O-CG 3.28Å; L10-R14 PolarHBondContact O-N 3.23Å; L10-R14 PolarHBondContact O-NE 3.29Å; D11-R14 PolarHBondContact O-N 2.9Å; D11-R14 IonicContact OD1-NH2 3.01Å; L12-R14 PolarHBondContact O-N 3.34Å
15R92.7Very high91.6Very high180 Ų18071.7 Ų71.768%0.67935%0.348SS*.Hα-helixtrans-107.2-31.9-177.2-65.5174.6-168.7-78.9-9.1113.4D11 L12 M13D11-R15 WeakPolarHBondContact O-CG 3.48Å; D11-R15 PolarHBondContact O-N 3.26Å; D11-R15 IonicContact OD1-CZ 3.4Å; D11-R15 IonicContact OD1-NE 2.75Å; D11-R15 PolarHBondContact OD1-NE 2.96Å; D11-R15 IonicContact OD1-NH2 3.17Å; D11-R15 PolarHBondContact OD1-NH2 3.3Å; D11-R15 IonicContact OD2-CZ 3.85Å; D11-R15 IonicContact OD2-NE 3.98Å; D11-R15 PolarHBondContact OD2-NE 3.02Å; D11-R15 IonicContact OD2-NH2 2.86Å; D11-R15 PolarHBondContact OD2-NH2 3.08Å; L12-R15 PolarHBondContact O-N 3.31Å; M13-R15 VanDerWaalsContact C-N 3.3Å; M13-R15 PolarHBondContact O-N 3.07Å
16L93.3Very high91.6Very high56 Ų5670.4 Ų70.429%0.29335%0.349SS..SBendtrans-67.1153.3179.1-69.8177.5000111.3L12 M13 P18 N24L12-L16 HydrophobicContact CD1-CD1 4.23Å; L12-L16 HydrophobicContact CD1-CD2 4.3Å; L12-L16 HydrophobicContact CD1-CG 4.04Å; L12-L16 HydrophobicContact CD2-CD1 4.28Å; L12-L16 HydrophobicContact CG-CD1 3.8Å; L12-L16 HydrophobicContact CG-CG 4.06Å; L12-L16 WeakPolarHBondContact O-CG 3.17Å; L12-L16 PolarHBondContact O-N 3.21Å; M13-L16 HydrophobicContact SD-CD1 4.41Å; L16-P18 WeakPolarHBondContact O-CD 3.29Å; L16-N24 WeakPolarHBondContact CB-ND2 3.27Å; L16-N24 HydrophobicContact CD1-CB 3.94Å
17P89.1Confident91.8Very high61 Ų6172.7 Ų72.740%0.39636%0.361SS..  trans-57.6122.5179.6-2635.3000112Q19 Q20 N24P17-Q19 PolarHBondContact O-N 3.18Å; P17-Q19 VanDerWaalsContact O-N 3.14Å; P17-Q20 PolarHBondContact O-N 3.48Å; P17-N24 PolarHBondContact O-ND2 2.96Å
18P87.6Confident91.9Very high52 Ų5268.3 Ų68.334%0.33834%0.338SS..G310 helixtrans-66.8-19-174.924.7-33.6000113.1L16 Q20 I21 G190L16-P18 WeakPolarHBondContact O-CD 3.29Å; P18-Q20 PolarHBondContact O-N 3.47Å; P18-I21 WeakPolarHBondContact O-CB 3.5Å; P18-I21 WeakPolarHBondContact O-CG2 3.17Å; P18-I21 PolarHBondContact O-N 3.4Å; P18-G190 WeakPolarHBondContact CG-O 3.49Å
19Q85Confident91.8Very high91 Ų9166.2 Ų66.243%0.42532%0.321SS..G310 helixtrans-68.6-17175.8-61.678.413.500113P17P17-Q19 PolarHBondContact O-N 3.18Å; P17-Q19 VanDerWaalsContact O-N 3.14Å
20Q88.9Confident91.8Very high107 Ų10771.5 Ų71.550%0.535%0.348SS..G310 helixtrans-109.916.4-179.8-63.2-178.45.800111.9P17 P18 E22 K23 N24P17-Q20 PolarHBondContact O-N 3.48Å; P18-Q20 PolarHBondContact O-N 3.47Å; Q20-E22 VanDerWaalsContact C-N 3.31Å; Q20-E22 PolarHBondContact O-N 3.29Å; Q20-K23 PolarHBondContact O-N 3.18Å; Q20-N24 WeakPolarHBondContact O-CB 3.49Å; Q20-N24 PolarHBondContact O-N 3Å; Q20-N24 PolarHBondContact O-ND2 3.24Å
21I89.3Confident91.9Very high25 Ų2575.7 Ų75.713%0.12837%0.37CS..Hα-helixtrans-53.9-41.7-171.5-169.5165.4000113.9M13 P18 K23 N24 L25 D44 P46M13-I21 HydrophobicContact CE-CG1 3.72Å; P18-I21 WeakPolarHBondContact O-CB 3.5Å; P18-I21 WeakPolarHBondContact O-CG2 3.17Å; P18-I21 PolarHBondContact O-N 3.4Å; I21-K23 PolarHBondContact O-N 3.23Å; I21-N24 PolarHBondContact O-N 3.27Å; I21-L25 VanDerWaalsContact O-CB 3.28Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 PolarHBondContact O-N 3.25Å; I21-D44 WeakPolarHBondContact CD1-O 3.43Å; I21-P46 HydrophobicContact CG2-CG 3.52Å
22E88.5Confident91.9Very high90 Ų9074.5 Ų74.542%0.42137%0.365SS..Hα-helixtrans-62-44.5177.5-62-171.4158.700111.8Q20 S26 K48Q20-E22 VanDerWaalsContact C-N 3.31Å; Q20-E22 PolarHBondContact O-N 3.29Å; E22-S26 PolarHBondContact O-N 3.28Å; E22-S26 VanDerWaalsContact O-N 3.08Å; E22-K48 WeakPolarHBondContact OE1-CE 3.31Å; E22-K48 IonicContact OE1-NZ 3.66Å; E22-K48 PolarHBondContact OE1-NZ 2.98Å
23K92.8Very high91.9Very high130 Ų13075.1 Ų75.157%0.56537%0.373SS*.Hα-helixtrans-68.6-46.4178176.6168179.4157.80111.2Q20 I21 L25 S26 D27Q20-K23 PolarHBondContact O-N 3.18Å; I21-K23 PolarHBondContact O-N 3.23Å; K23-L25 VanDerWaalsContact C-N 3.27Å; K23-L25 PolarHBondContact O-N 3.09Å; K23-S26 WeakPolarHBondContact O-CB 3.46Å; K23-S26 PolarHBondContact O-N 3.09Å; K23-D27 VanDerWaalsContact CE-OD2 3.3Å; K23-D27 WeakPolarHBondContact CE-OD2 3.35Å; K23-D27 WeakPolarHBondContact CG-OD2 3.48Å; K23-D27 WeakPolarHBondContact O-CB 3.41Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.19Å
24N93.6Very high91.9Very high18 Ų1877.9 Ų77.910%0.09640%0.395CS..Hα-helixtrans-59.2-41.3179.7-65.2-23000111.1M13 L16 P17 Q20 I21 L28M13-N24 HydrophobicContact CE-CB 3.96Å; M13-N24 HydrophobicContact SD-CB 3.88Å; L16-N24 WeakPolarHBondContact CB-ND2 3.27Å; L16-N24 HydrophobicContact CD1-CB 3.94Å; P17-N24 PolarHBondContact O-ND2 2.96Å; Q20-N24 WeakPolarHBondContact O-CB 3.49Å; Q20-N24 PolarHBondContact O-N 3Å; Q20-N24 PolarHBondContact O-ND2 3.24Å; I21-N24 PolarHBondContact O-N 3.27Å; N24-L28 WeakPolarHBondContact O-CB 3.32Å; N24-L28 PolarHBondContact O-N 3.03Å
25L92.3Very high91.9Very high3 Ų369 Ų692%0.01636%0.362CS..Hα-helixtrans-67.5-43.6177.5-17659.6000111.6M13 I21 K23 L28 I29 L39 L40 V43 Q45M13-L25 HydrophobicContact CE-CB 4.03Å; I21-L25 VanDerWaalsContact O-CB 3.28Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 PolarHBondContact O-N 3.25Å; K23-L25 VanDerWaalsContact C-N 3.27Å; K23-L25 PolarHBondContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 2.94Å; L25-I29 HydrophobicContact CD1-CD1 4.25Å; L25-I29 HydrophobicContact CD1-CG1 4.42Å; L25-I29 HydrophobicContact CG-CD1 4.03Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.85Å; L25-L39 HydrophobicContact CD1-CB 3.97Å; L25-L40 HydrophobicContact CD2-CD2 4.14Å; L25-V43 HydrophobicContact CD1-CB 4.19Å; L25-V43 HydrophobicContact CD1-CG1 4.33Å; L25-V43 HydrophobicContact CD1-CG2 4.33Å; L25-V43 HydrophobicContact CD2-CG1 4.46Å; L25-Q45 VanDerWaalsContact CD2-CD 3.42Å; L25-Q45 HydrophobicContact CD2-CG 3.7Å
26S92.6Very high91.7Very high61 Ų6162.4 Ų62.443%0.42734%0.342SS..Hα-helixtrans-58.4-50.6174.2-170.20000111.6E22 K23 L28 I29 D30E22-S26 PolarHBondContact O-N 3.28Å; E22-S26 VanDerWaalsContact O-N 3.08Å; K23-S26 WeakPolarHBondContact O-CB 3.46Å; K23-S26 PolarHBondContact O-N 3.09Å; S26-L28 PolarHBondContact O-N 3.01Å; S26-I29 PolarHBondContact O-N 3.11Å; S26-D30 PolarHBondContact O-N 3.36Å
27D95.6Very high91.4Very high79 Ų7967.6 Ų67.642%0.42237%0.365SS..Hα-helixtrans-62.5-32.4179.9-66.4-15.5000111.1K23 L31K23-D27 VanDerWaalsContact CE-OD2 3.3Å; K23-D27 WeakPolarHBondContact CE-OD2 3.35Å; K23-D27 WeakPolarHBondContact CG-OD2 3.48Å; K23-D27 WeakPolarHBondContact O-CB 3.41Å; K23-D27 VanDerWaalsContact O-CG 3.25Å; K23-D27 PolarHBondContact O-N 3.19Å; D27-L31 WeakPolarHBondContact O-CB 3.4Å; D27-L31 PolarHBondContact O-N 3.18Å; D27-L31 VanDerWaalsContact O-N 3.07Å
28L94.3Very high91.3Very high13 Ų1367.8 Ų67.87%0.06836%0.363CS..Hα-helixtrans-75.1-37.6178-171.758.8000112.7A9 L12 M13 N24 L25 S26 L31 V32 L39A9-L28 HydrophobicContact CB-CD1 4.44Å; A9-L28 HydrophobicContact CB-CD2 3.96Å; A9-L28 HydrophobicContact CB-CG 4.48Å; L12-L28 HydrophobicContact CD2-CD1 4.21Å; M13-L28 HydrophobicContact CG-CD2 3.81Å; M13-L28 HydrophobicContact SD-CD2 3.97Å; N24-L28 WeakPolarHBondContact O-CB 3.32Å; N24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 2.94Å; S26-L28 PolarHBondContact O-N 3.01Å; L28-L31 PolarHBondContact O-N 2.88Å; L28-V32 PolarHBondContact O-N 2.75Å; L28-L39 HydrophobicContact CD2-CD1 4.26Å; L28-L39 HydrophobicContact CD2-CD2 4.22Å; L28-L39 HydrophobicContact CG-CD1 4.01Å
29I93.3Very high91.4Very high32 Ų3265.3 Ų65.316%0.16435%0.347CS..Hα-helixtrans-64.8-42.7172.2-69.8167.1000109.8L25 S26 L31 V32 P33 C36 L39 L40L25-I29 HydrophobicContact CD1-CD1 4.25Å; L25-I29 HydrophobicContact CD1-CG1 4.42Å; L25-I29 HydrophobicContact CG-CD1 4.03Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.85Å; S26-I29 PolarHBondContact O-N 3.11Å; I29-L31 VanDerWaalsContact C-N 3.26Å; I29-L31 PolarHBondContact O-N 3.17Å; I29-V32 CarbonylContact O-C 3.52Å; I29-V32 VanDerWaalsContact O-C 3.22Å; I29-V32 PolarHBondContact O-N 3.37Å; I29-P33 WeakPolarHBondContact O-CA 3.47Å; I29-P33 WeakPolarHBondContact O-CD 3.33Å; I29-P33 WeakPolarHBondContact O-CG 3.16Å; I29-C36 HydrophobicContact CG2-CB 4.06Å; I29-L39 HydrophobicContact CG1-CD1 4.14Å; I29-L40 HydrophobicContact CD1-CD2 4.05Å; I29-L40 HydrophobicContact CD1-CG 4.14Å
30D94.6Very high91.4Very high117 Ų11762.9 Ų62.963%0.62634%0.337SS*.Hα-helixtrans-62.3-35.9175.9-71.9-19.1000111.9S26S26-D30 PolarHBondContact O-N 3.36Å
31L95.2Very high91.1Very high133 Ų13361 Ų6170%0.69634%0.335SS*.Hα-helixtrans-73.3-39.6178.1-177.463.4000112.8D27 L28 I29D27-L31 WeakPolarHBondContact O-CB 3.4Å; D27-L31 PolarHBondContact O-N 3.18Å; D27-L31 VanDerWaalsContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 2.88Å; I29-L31 VanDerWaalsContact C-N 3.26Å; I29-L31 PolarHBondContact O-N 3.17Å
32V93.9Very high90.9Very high28 Ų2862.6 Ų62.617%0.1735%0.349CS..  trans-132.975.2-179.4-165.20000110.5L28 I29 S34 L35L28-V32 PolarHBondContact O-N 2.75Å; I29-V32 CarbonylContact O-C 3.52Å; I29-V32 VanDerWaalsContact O-C 3.22Å; I29-V32 PolarHBondContact O-N 3.37Å; V32-S34 PolarHBondContact O-N 3.45Å; V32-S34 VanDerWaalsContact O-N 3.09Å; V32-L35 HydrophobicContact CB-CD1 4.47Å; V32-L35 HydrophobicContact CG1-CB 4.36Å; V32-L35 HydrophobicContact CG1-CD1 3.83Å; V32-L35 HydrophobicContact CG1-CG 3.86Å; V32-L35 PolarHBondContact O-N 3.24Å; V32-L35 VanDerWaalsContact O-N 3.09Å
33P93.3Very high90.8Very high89 Ų8958.8 Ų58.858%0.57833%0.332SS*.G310 helixtrans-62.3-24.6-173.6-2534.6000114.1I29 L35 C36I29-P33 WeakPolarHBondContact O-CA 3.47Å; I29-P33 WeakPolarHBondContact O-CD 3.33Å; I29-P33 WeakPolarHBondContact O-CG 3.16Å; P33-L35 PolarHBondContact O-N 3.39Å; P33-C36 WeakPolarHBondContact O-CB 3.45Å; P33-C36 PolarHBondContact O-N 3.01Å
34S93.1Very high90.4Very high83 Ų8354.8 Ų54.858%0.5832%0.316SS*.G310 helixtrans-66.1-16.5178.457.30000114.1V32V32-S34 PolarHBondContact O-N 3.45Å; V32-S34 VanDerWaalsContact O-N 3.09Å
35L92Very high90.1Very high1 Ų156.1 Ų56.11%0.00532%0.322CS..G310 helixtrans-101.810.5177.5-64.3179.6000112.6Q5 L6 V32 P33 E37 D38 L39Q5-L35 HydrophobicContact CB-CD1 3.87Å; L6-L35 HydrophobicContact CB-CD1 4.39Å; L6-L35 HydrophobicContact CB-CD2 4.37Å; V32-L35 HydrophobicContact CB-CD1 4.47Å; V32-L35 HydrophobicContact CG1-CB 4.36Å; V32-L35 HydrophobicContact CG1-CD1 3.83Å; V32-L35 HydrophobicContact CG1-CG 3.86Å; V32-L35 PolarHBondContact O-N 3.24Å; V32-L35 VanDerWaalsContact O-N 3.09Å; P33-L35 PolarHBondContact O-N 3.39Å; L35-E37 PolarHBondContact O-N 2.76Å; L35-D38 PolarHBondContact O-N 3.07Å; L35-L39 HydrophobicContact CB-CD1 3.93Å; L35-L39 HydrophobicContact CB-CG 3.97Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 WeakPolarHBondContact O-CG 2.93Å; L35-L39 PolarHBondContact O-N 3.27Å
36C87.9Confident90Very high41 Ų4157.8 Ų57.828%0.27733%0.333SS..Hα-helixtrans-53.1-50.7-174.1-1750000113I29 P33 L39 L40I29-C36 HydrophobicContact CG2-CB 4.06Å; P33-C36 WeakPolarHBondContact O-CB 3.45Å; P33-C36 PolarHBondContact O-N 3.01Å; C36-L39 PolarHBondContact O-N 2.81Å; C36-L40 WeakPolarHBondContact O-CB 3.42Å; C36-L40 VanDerWaalsContact O-CG 3.31Å; C36-L40 WeakPolarHBondContact O-CG 3.49Å; C36-L40 PolarHBondContact O-N 2.87Å
37E85.6Confident90.1Very high165 Ų16555.2 Ų55.277%0.77132%0.315SS*.Hα-helixtrans-66.7-41.8-179.5-65.7-173.4167.800112.3L35 L39 S41L35-E37 PolarHBondContact O-N 2.76Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 3.02Å; E37-S41 WeakPolarHBondContact O-CB 3.06Å; E37-S41 PolarHBondContact O-N 3.3Å; E37-S41 PolarHBondContact O-OG 3.45Å
38D88Confident90.1Very high66 Ų6656 Ų5635%0.35331%0.314SS..Hα-helixtrans-65.4-39.1178.7-66.2-31.8000111.4L6 L35 S41 S42L6-D38 HydrophobicContact CD1-CB 3.87Å; L6-D38 HydrophobicContact CD2-CB 4.12Å; L35-D38 PolarHBondContact O-N 3.07Å; D38-S41 WeakPolarHBondContact CA-OG 3.37Å; D38-S41 PolarHBondContact O-OG 2.91Å; D38-S41 VanDerWaalsContact O-OG 3.09Å; D38-S42 WeakPolarHBondContact O-CB 3.39Å; D38-S42 PolarHBondContact O-N 2.84Å; D38-S42 PolarHBondContact O-OG 3.04Å
39L88.6Confident90.2Very high0 Ų059.7 Ų59.70%033%0.333CS..Hα-helixtrans-71.4-44.6179.2-70.7173.4000111.8L6 A9 L25 L28 I29 L35 C36 E37 S41 S42 V43L6-L39 HydrophobicContact CD1-CD2 4.07Å; A9-L39 HydrophobicContact CB-CD2 3.73Å; L25-L39 HydrophobicContact CD1-CB 3.97Å; L28-L39 HydrophobicContact CD2-CD1 4.26Å; L28-L39 HydrophobicContact CD2-CD2 4.22Å; L28-L39 HydrophobicContact CG-CD1 4.01Å; I29-L39 HydrophobicContact CG1-CD1 4.14Å; L35-L39 HydrophobicContact CB-CD1 3.93Å; L35-L39 HydrophobicContact CB-CG 3.97Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 WeakPolarHBondContact O-CG 2.93Å; L35-L39 PolarHBondContact O-N 3.27Å; C36-L39 PolarHBondContact O-N 2.81Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-L39 PolarHBondContact O-N 3.02Å; L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 3.05Å; L39-S42 PolarHBondContact O-N 2.78Å; L39-V43 HydrophobicContact CD2-CG2 4.3Å; L39-V43 WeakPolarHBondContact O-CB 3.38Å; L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 2.86Å
40L85.4Confident90.4Very high40 Ų4059.2 Ų59.221%0.20933%0.334CS..Hα-helixtrans-63.9-38.1176.9-70.8171.9000111.4L25 I29 C36 D63L25-L40 HydrophobicContact CD2-CD2 4.14Å; I29-L40 HydrophobicContact CD1-CD2 4.05Å; I29-L40 HydrophobicContact CD1-CG 4.14Å; C36-L40 WeakPolarHBondContact O-CB 3.42Å; C36-L40 VanDerWaalsContact O-CG 3.31Å; C36-L40 WeakPolarHBondContact O-CG 3.49Å; C36-L40 PolarHBondContact O-N 2.87Å; L40-D63 VanDerWaalsContact O-OD2 3.12Å
41S83.6Confident90.5Very high66 Ų6661.1 Ų61.146%0.46233%0.332SS..Hα-helixtrans-76.7-23.2178.256.40000114.7E37 D38 L39E37-S41 WeakPolarHBondContact O-CB 3.06Å; E37-S41 PolarHBondContact O-N 3.3Å; E37-S41 PolarHBondContact O-OG 3.45Å; D38-S41 WeakPolarHBondContact CA-OG 3.37Å; D38-S41 PolarHBondContact O-OG 2.91Å; D38-S41 VanDerWaalsContact O-OG 3.09Å; L39-S41 VanDerWaalsContact C-N 3.31Å; L39-S41 PolarHBondContact O-N 3.05Å
42S85.4Confident90.6Very high59 Ų5955.1 Ų55.141%0.41330%0.301SS..Hα-helixtrans-107.2-19-174.8-55.10000114.6D38 L39D38-S42 WeakPolarHBondContact O-CB 3.39Å; D38-S42 PolarHBondContact O-N 2.84Å; D38-S42 PolarHBondContact O-OG 3.04Å; L39-S42 PolarHBondContact O-N 2.78Å
43V86.4Confident90.7Very high11 Ų1161.6 Ų61.67%0.06733%0.327CS..SBendtrans-106.2103.5-177.9-176.30000109.9L10 M13 L25 L39 Q45L10-V43 HydrophobicContact CD2-CG2 3.6Å; M13-V43 HydrophobicContact CE-CG1 3.84Å; M13-V43 HydrophobicContact CG-CG1 4.35Å; M13-V43 HydrophobicContact CG-CG2 4.33Å; L25-V43 HydrophobicContact CD1-CB 4.19Å; L25-V43 HydrophobicContact CD1-CG1 4.33Å; L25-V43 HydrophobicContact CD1-CG2 4.33Å; L25-V43 HydrophobicContact CD2-CG1 4.46Å; L39-V43 HydrophobicContact CD2-CG2 4.3Å; L39-V43 WeakPolarHBondContact O-CB 3.38Å; L39-V43 WeakPolarHBondContact O-CG2 3.36Å; L39-V43 PolarHBondContact O-N 2.86Å; V43-Q45 PolarHBondContact O-N 3.48Å
44D84.4Confident90.8Very high46 Ų4662.3 Ų62.325%0.24633%0.329CS..  trans-60.8134175.9-66.2-53.3000111.3I21 I151 T172 M174I21-D44 WeakPolarHBondContact CD1-O 3.43Å; D44-I151 HydrophobicContact CB-CD1 3.95Å; D44-T172 HydrophobicContact CB-CG2 4.3Å; D44-T172 WeakPolarHBondContact OD2-CB 3.36Å; D44-T172 VanDerWaalsContact OD2-CG2 3.3Å; D44-T172 WeakPolarHBondContact OD2-CG2 3.26Å; D44-T172 PolarHBondContact OD2-OG1 2.8Å; D44-M174 HydrophobicContact CB-CE 3.16Å; D44-M174 VanDerWaalsContact O-CE 3.26Å; D44-M174 WeakPolarHBondContact O-CE 3.37Å
45Q86.9Confident90.9Very high46 Ų4661.8 Ų61.822%0.21532%0.323CS..  trans-111.7156.6175.7-6717765.600111.9L25 V43 L47L25-Q45 VanDerWaalsContact CD2-CD 3.42Å; L25-Q45 HydrophobicContact CD2-CG 3.7Å; V43-Q45 PolarHBondContact O-N 3.48Å; Q45-L47 PolarHBondContact O-N 2.81Å
46P90.6Very high91.1Very high38 Ų3863.3 Ų63.325%0.24734%0.338CS..PPolyproline II helixtrans-55.9133.8171.8-24.934.5000110.9I21 K48 M174I21-P46 HydrophobicContact CG2-CG 3.52Å; P46-K48 PolarHBondContact O-N 2.99Å; P46-M174 HydrophobicContact CG-SD 4.46Å
47L94.8Very high91.5Very high7 Ų766.1 Ų66.14%0.03735%0.345CS..PPolyproline II helixtrans-69.3134-174.2-59.8172.5000110.5Q45 L60 L133 K135 D149 I151Q45-L47 PolarHBondContact O-N 2.81Å; L47-L60 HydrophobicContact CB-CD2 4.28Å; L47-L60 HydrophobicContact CD1-CD1 4.15Å; L47-L133 HydrophobicContact CD1-CB 4.08Å; L47-L133 HydrophobicContact CD1-CD2 4.24Å; L47-L133 HydrophobicContact CD2-CD1 4.25Å; L47-L133 HydrophobicContact CD2-CD2 3.86Å; L47-K135 HydrophobicContact CB-CB 4.47Å; L47-K135 HydrophobicContact CB-CD 4.25Å; L47-K135 HydrophobicContact CD1-CB 4.49Å; L47-K135 WeakPolarHBondContact O-CD 3.46Å; L47-K135 WeakPolarHBondContact O-CE 3.31Å; L47-K135 PolarHBondContact O-NZ 3.14Å; L47-D149 WeakPolarHBondContact CB-OD1 3.25Å; L47-D149 HydrophobicContact CD1-CB 4.17Å; L47-D149 HydrophobicContact CG-CB 4.28Å; L47-D149 PolarHBondContact N-OD1 3.27Å; L47-I151 HydrophobicContact CD1-CG1 4.24Å; L47-I151 HydrophobicContact CD2-CD1 4.07Å; L47-I151 HydrophobicContact CD2-CG1 4.05Å; L47-I151 HydrophobicContact CG-CD1 4.49Å; L47-I151 HydrophobicContact CG-CG1 4.32Å
48K94.5Very high92.1Very high96 Ų9661 Ų6142%0.41732%0.324SS..EExtended strand (participates in β ladder)trans-97.4144.6175.2-64.7175-177.3171.60109.3E22 P46 L60 L61E22-K48 WeakPolarHBondContact OE1-CE 3.31Å; E22-K48 IonicContact OE1-NZ 3.66Å; E22-K48 PolarHBondContact OE1-NZ 2.98Å; P46-K48 PolarHBondContact O-N 2.99Å; K48-L60 WeakPolarHBondContact O-CA 3.31Å; K48-L61 HydrophobicContact CB-CB 4.17Å; K48-L61 HydrophobicContact CB-CD1 4.09Å; K48-L61 HydrophobicContact CB-CG 4.27Å; K48-L61 PolarHBondContact O-N 3.24Å
49I96.6Very high92.6Very high89 Ų8958.2 Ų58.246%0.45631%0.308SS..EExtended strand (participates in β ladder)trans-98128.8176.5-59.2172000108.2D58 L60 V116 K135I49-D58 HydrophobicContact CG2-CB 3.83Å; I49-L60 HydrophobicContact CG1-CD2 3.84Å; I49-V116 HydrophobicContact CD1-CG2 4.12Å; I49-K135 HydrophobicContact CD1-CD 4.04Å; I49-K135 HydrophobicContact CG1-CD 3.89Å
50A97.3Very high93.1Very high22 Ų2258.2 Ų58.218%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-116.1164.9164.600000109.9D58 Y59 L61A50-D58 CarbonylContact O-C 3.57Å; A50-D58 VanDerWaalsContact O-CA 3.3Å; A50-D58 WeakPolarHBondContact O-CA 3.44Å; A50-Y59 HydrophobicContact CB-CD1 4.15Å; A50-Y59 HydrophobicContact CB-CD2 4.37Å; A50-Y59 HydrophobicContact CB-CE1 3.59Å; A50-Y59 HydrophobicContact CB-CE2 3.89Å; A50-Y59 VanDerWaalsContact CB-CZ 3.45Å; A50-Y59 PolarHBondContact N-O 2.87Å; A50-Y59 WeakPolarHBondContact O-CD1 3.21Å; A50-Y59 PolarHBondContact O-N 3.34Å; A50-L61 HydrophobicContact CB-CD1 4.09Å; A50-L61 HydrophobicContact CB-CD2 3.56Å; A50-L61 HydrophobicContact CB-CG 3.97Å
51R97.7Very high93.6Very high157 Ų15757.7 Ų57.759%0.59231%0.306SS*.EExtended strand (participates in β ladder)trans-119.4123.5178.4-171.4159.8-175.6141.7-2.2110.7K53 G56 D58R51-K53 PolarHBondContact O-N 3.5Å; R51-G56 VanDerWaalsContact CZ-O 3.29Å; R51-G56 PolarHBondContact NE-O 3.47Å; R51-G56 PolarHBondContact NH2-O 3.47Å; R51-D58 WeakPolarHBondContact CD-OD1 3.43Å; R51-D58 WeakPolarHBondContact CG-OD1 3.11Å; R51-D58 IonicContact NE-OD1 3.48Å; R51-D58 IonicContact NH1-OD1 3.58Å
52D96.9Very high94Very high8 Ų855.5 Ų55.54%0.04329%0.29CS..  trans-68.6113.4172.3-175-35.6000108.3V54 V55 G56 K57 Y59 S73 S76D52-V54 VanDerWaalsContact C-N 3.27Å; D52-V54 PolarHBondContact O-N 3.25Å; D52-V54 WeakPolarHBondContact OD1-CA 3.21Å; D52-V54 VanDerWaalsContact OD1-CB 3.27Å; D52-V54 WeakPolarHBondContact OD1-CB 3.36Å; D52-V54 PolarHBondContact OD1-N 3.33Å; D52-V55 PolarHBondContact OD1-N 3.44Å; D52-V55 VanDerWaalsContact OD1-N 3.07Å; D52-G56 WeakPolarHBondContact O-CA 3.31Å; D52-G56 PolarHBondContact O-N 3.37Å; D52-K57 WeakPolarHBondContact CB-O 3.26Å; D52-K57 PolarHBondContact N-O 3.33Å; D52-Y59 HydrophobicContact CB-CD1 4.13Å; D52-Y59 HydrophobicContact CB-CE1 4.23Å; D52-S73 WeakPolarHBondContact CB-OG 3.5Å; D52-S73 WeakPolarHBondContact OD2-CB 3.36Å; D52-S73 PolarHBondContact OD2-OG 2.9Å; D52-S76 WeakPolarHBondContact OD2-CB 3.19Å; D52-S76 PolarHBondContact OD2-N 3.48Å; D52-S76 PolarHBondContact OD2-OG 3.43Å
53K95.3Very high94.3Very high163 Ų16355.1 Ų55.171%0.70928%0.283SS*.THydrogen-bonded Turntrans-71.7-20.3-178.5-64.6175.1-177.3163.90113.2R51 E80R51-K53 PolarHBondContact O-N 3.5Å; K53-E80 IonicContact NZ-OE1 3.72Å; K53-E80 PolarHBondContact NZ-OE1 3.03Å
54V95.1Very high94.5Very high105 Ų10558.9 Ų58.964%0.63630%0.297SS*.THydrogen-bonded Turntrans-81.5-48.5-179.6-177.20000110.4D52D52-V54 VanDerWaalsContact C-N 3.27Å; D52-V54 PolarHBondContact O-N 3.25Å; D52-V54 WeakPolarHBondContact OD1-CA 3.21Å; D52-V54 VanDerWaalsContact OD1-CB 3.27Å; D52-V54 WeakPolarHBondContact OD1-CB 3.36Å; D52-V54 PolarHBondContact OD1-N 3.33Å
55V95.9Very high95.1Very high72 Ų7256.7 Ų56.744%0.43629%0.285SS..THydrogen-bonded Turntrans-96.1-17.2-175.6-168.10000111.9D52 K57 W75D52-V55 PolarHBondContact OD1-N 3.44Å; D52-V55 VanDerWaalsContact OD1-N 3.07Å; V55-K57 VanDerWaalsContact C-N 3.31Å; V55-K57 HydrophobicContact CG1-CD 4.09Å; V55-K57 HydrophobicContact CG1-CG 4.11Å; V55-W75 HydrophobicContact CB-CB 4.13Å; V55-W75 HydrophobicContact CG1-CB 4.37Å; V55-W75 HydrophobicContact CG2-CB 3.89Å
56G95.8Very high95.4Very high32 Ų3258.5 Ų58.533%0.3329%0.29SS..  trans74.518.6-179.300000114R51 D52R51-G56 VanDerWaalsContact CZ-O 3.29Å; R51-G56 PolarHBondContact NE-O 3.47Å; R51-G56 PolarHBondContact NH2-O 3.47Å; D52-G56 WeakPolarHBondContact O-CA 3.31Å; D52-G56 PolarHBondContact O-N 3.37Å
57K96.8Very high95.5Very high100 Ų10059.3 Ų59.344%0.43529%0.292SS..  trans-107146.1-179.1-71.1-174.1176.6-169.30111.7D52 V55 W75D52-K57 WeakPolarHBondContact CB-O 3.26Å; D52-K57 PolarHBondContact N-O 3.33Å; V55-K57 VanDerWaalsContact C-N 3.31Å; V55-K57 HydrophobicContact CG1-CD 4.09Å; V55-K57 HydrophobicContact CG1-CG 4.11Å; K57-W75 HydrophobicContact CB-CD2 4.37Å; K57-W75 HydrophobicContact CB-CG 4.15Å; K57-W75 HydrophobicContact CD-CD2 3.96Å; K57-W75 HydrophobicContact CD-CE3 4.23Å; K57-W75 HydrophobicContact CD-CG 4.31Å; K57-W75 HydrophobicContact CD-CZ2 4.45Å
58D98.2Very high95.2Very high59 Ų5961.5 Ų61.532%0.31632%0.317SS..EExtended strand (participates in β ladder)trans-76.7149.7175.2-64-17.8000110.6I49 A50 R51 W75 V116I49-D58 HydrophobicContact CG2-CB 3.83Å; A50-D58 CarbonylContact O-C 3.57Å; A50-D58 VanDerWaalsContact O-CA 3.3Å; A50-D58 WeakPolarHBondContact O-CA 3.44Å; R51-D58 WeakPolarHBondContact CD-OD1 3.43Å; R51-D58 WeakPolarHBondContact CG-OD1 3.11Å; R51-D58 IonicContact NE-OD1 3.48Å; R51-D58 IonicContact NH1-OD1 3.58Å; D58-W75 PolarHBondContact O-NE1 2.7Å; D58-V116 HydrophobicContact CB-CG1 4.06Å; D58-V116 HydrophobicContact CB-CG2 4.06Å
59Y98.5Very high95Very high7 Ų763 Ų633%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-145160.717568.2-82000110.8A50 D52 L61 S118 Y120A50-Y59 HydrophobicContact CB-CD1 4.15Å; A50-Y59 HydrophobicContact CB-CD2 4.37Å; A50-Y59 HydrophobicContact CB-CE1 3.59Å; A50-Y59 HydrophobicContact CB-CE2 3.89Å; A50-Y59 VanDerWaalsContact CB-CZ 3.45Å; A50-Y59 PolarHBondContact N-O 2.87Å; A50-Y59 WeakPolarHBondContact O-CD1 3.21Å; A50-Y59 PolarHBondContact O-N 3.34Å; D52-Y59 HydrophobicContact CB-CD1 4.13Å; D52-Y59 HydrophobicContact CB-CE1 4.23Å; Y59-L61 HydrophobicContact CD2-CD2 3.85Å; Y59-L61 HydrophobicContact CE2-CD2 3.36Å; Y59-S118 WeakPolarHBondContact CA-OG 3.36Å; Y59-Y120 VanDerWaalsContact CD2-OH 3.31Å; Y59-Y120 WeakPolarHBondContact CD2-OH 3.26Å
60L98.3Very high94.9Very high0 Ų059.1 Ų59.10%031%0.31CS..EExtended strand (participates in β ladder)trans-100.6139.9-174.7-62171.7000111.4L47 K48 I49 V116 S118 Y120 L133 K135L47-L60 HydrophobicContact CB-CD2 4.28Å; L47-L60 HydrophobicContact CD1-CD1 4.15Å; K48-L60 WeakPolarHBondContact O-CA 3.31Å; I49-L60 HydrophobicContact CG1-CD2 3.84Å; L60-V116 HydrophobicContact CD1-CG1 4.48Å; L60-V116 HydrophobicContact CD2-CB 4.11Å; L60-V116 HydrophobicContact CD2-CG1 4.09Å; L60-V116 HydrophobicContact CG-CB 4.31Å; L60-V116 HydrophobicContact CG-CG1 3.93Å; L60-S118 PolarHBondContact N-OG 2.83Å; L60-Y120 WeakPolarHBondContact O-CE2 3.39Å; L60-Y120 PolarHBondContact O-OH 3.48Å; L60-L133 HydrophobicContact CB-CB 4.01Å; L60-L133 HydrophobicContact CB-CD1 3.76Å; L60-L133 HydrophobicContact CD1-CB 3.6Å; L60-L133 HydrophobicContact CG-CB 4.44Å; L60-K135 HydrophobicContact CD1-CB 4Å; L60-K135 HydrophobicContact CD2-CB 3.66Å; L60-K135 HydrophobicContact CD2-CD 4.13Å
61L96.5Very high94.9Very high29 Ų2960.3 Ų60.315%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-98.7134.1179.6-51.1-171.8000110.5K48 A50 Y59 Y71K48-L61 HydrophobicContact CB-CB 4.17Å; K48-L61 HydrophobicContact CB-CD1 4.09Å; K48-L61 HydrophobicContact CB-CG 4.27Å; K48-L61 PolarHBondContact O-N 3.24Å; A50-L61 HydrophobicContact CB-CD1 4.09Å; A50-L61 HydrophobicContact CB-CD2 3.56Å; A50-L61 HydrophobicContact CB-CG 3.97Å; Y59-L61 HydrophobicContact CD2-CD2 3.85Å; Y59-L61 HydrophobicContact CE2-CD2 3.36Å; L61-Y71 HydrophobicContact CB-CD1 3.91Å; L61-Y71 HydrophobicContact CB-CE1 3.86Å; L61-Y71 HydrophobicContact CB-CG 4.46Å; L61-Y71 HydrophobicContact CD1-CD1 4.43Å; L61-Y71 HydrophobicContact CD1-CD2 4.09Å; L61-Y71 HydrophobicContact CD1-CE1 4.45Å; L61-Y71 HydrophobicContact CD1-CE2 4.13Å; L61-Y71 HydrophobicContact CD1-CG 4.23Å; L61-Y71 HydrophobicContact CD2-CD1 3.83Å; L61-Y71 HydrophobicContact CD2-CD2 4.28Å; L61-Y71 HydrophobicContact CD2-CG 3.65Å; L61-Y71 HydrophobicContact CG-CD1 4.27Å; L61-Y71 HydrophobicContact CG-CG 4.33Å
62C93.1Very high94.9Very high19 Ų1953.2 Ų53.213%0.12828%0.283CS..  trans-149.9173.3170.969.40000109.1Y64 N65 L133C62-Y64 VanDerWaalsContact C-N 3.25Å; C62-Y64 PolarHBondContact O-N 3.27Å; C62-Y64 PolarHBondContact SG-N 3.23Å; C62-N65 PolarHBondContact N-OD1 3.3Å; C62-N65 PolarHBondContact O-N 3.49Å; C62-N65 PolarHBondContact O-OD1 2.93Å; C62-N65 PolarHBondContact SG-OD1 2.87Å; C62-L133 HydrophobicContact CB-CD1 3.91Å; C62-L133 HydrophobicContact CB-CD2 4.49Å
63D90.1Very high95Very high52 Ų5252.9 Ų52.928%0.27828%0.282SS..G310 helixtrans-68.3-25.6178.9-64.6-55.8000112.7L40 N65 R66L40-D63 VanDerWaalsContact O-OD2 3.12Å; D63-N65 VanDerWaalsContact C-N 3.28Å; D63-N65 PolarHBondContact O-N 3.39Å; D63-R66 WeakPolarHBondContact O-CB 3.4Å; D63-R66 PolarHBondContact O-N 2.91Å; D63-R66 IonicContact OD1-NH1 3.04Å
64Y92.3Very high95.1Very high89 Ų8945.2 Ų45.235%0.34925%0.249SC..G310 helixtrans-72-14.8179.1-54.8-71.7000115.1C62 W122 V131 V153C62-Y64 VanDerWaalsContact C-N 3.25Å; C62-Y64 PolarHBondContact O-N 3.27Å; C62-Y64 PolarHBondContact SG-N 3.23Å; Y64-W122 AromaticContact CD1-CH2 3.59Å; Y64-W122 HydrophobicContact CD1-CH2 3.59Å; Y64-W122 HydrophobicContact CD1-CZ2 4.03Å; Y64-W122 HydrophobicContact CD1-CZ3 4.05Å; Y64-W122 HydrophobicContact CE1-CH2 4.09Å; Y64-W122 HydrophobicContact CE1-CZ2 4.34Å; Y64-W122 AromaticContact CG-CH2 3.96Å; Y64-W122 HydrophobicContact CG-CH2 3.96Å; Y64-W122 HydrophobicContact CG-CZ3 4.06Å; Y64-V131 HydrophobicContact CD2-CB 3.98Å; Y64-V131 HydrophobicContact CD2-CG1 4.07Å; Y64-V131 HydrophobicContact CD2-CG2 3.99Å; Y64-V131 HydrophobicContact CE2-CG2 4.37Å; Y64-V131 HydrophobicContact CG-CB 4.4Å; Y64-V131 HydrophobicContact CG-CG1 4.26Å; Y64-V153 HydrophobicContact CE2-CG2 3.64Å
65N95.5Very high95.3Very high1 Ų142.3 Ų42.31%0.00523%0.226CC..G310 helixtrans-115.31517378.4-56.3000112.6C62 D63 Y71 R72 Y120C62-N65 PolarHBondContact N-OD1 3.3Å; C62-N65 PolarHBondContact O-N 3.49Å; C62-N65 PolarHBondContact O-OD1 2.93Å; C62-N65 PolarHBondContact SG-OD1 2.87Å; D63-N65 VanDerWaalsContact C-N 3.28Å; D63-N65 PolarHBondContact O-N 3.39Å; N65-Y71 CarbonylContact O-C 3.54Å; N65-Y71 WeakPolarHBondContact O-CA 3.41Å; N65-R72 PolarHBondContact ND2-O 2.99Å; N65-R72 PolarHBondContact O-N 3.48Å; N65-Y120 HydrophobicContact CB-CD1 3.61Å; N65-Y120 HydrophobicContact CB-CD2 3.61Å; N65-Y120 HydrophobicContact CB-CE1 3.67Å; N65-Y120 HydrophobicContact CB-CE2 3.66Å; N65-Y120 HydrophobicContact CB-CG 3.58Å; N65-Y120 VanDerWaalsContact CG-CE2 3.48Å; N65-Y120 VanDerWaalsContact CG-CZ 3.49Å; N65-Y120 PolarHBondContact ND2-OH 2.85Å; N65-Y120 VanDerWaalsContact ND2-OH 3.13Å
66R94.1Very high95.3Very high84 Ų8440.2 Ų40.232%0.31722%0.215SC..EExtended strand (participates in β ladder)trans-100.2140.3179.2-171.2-177177.1-173.3-5110.1D63 G68 D69 S70 Y71D63-R66 WeakPolarHBondContact O-CB 3.4Å; D63-R66 PolarHBondContact O-N 2.91Å; D63-R66 IonicContact OD1-NH1 3.04Å; R66-G68 WeakPolarHBondContact CG-O 3.33Å; R66-G68 PolarHBondContact NE-O 3.45Å; R66-G68 PolarHBondContact NH2-O 3.33Å; R66-D69 IonicContact NH2-OD1 3.08Å; R66-D69 PolarHBondContact NH2-OD1 3.31Å; R66-S70 CarbonylContact C-O 3.45Å; R66-S70 WeakPolarHBondContact CA-O 3.35Å; R66-Y71 HydrophobicContact CB-CD1 3.82Å; R66-Y71 HydrophobicContact CB-CE1 3.59Å; R66-Y71 HydrophobicContact CG-CD1 4.13Å; R66-Y71 HydrophobicContact CG-CE1 3.69Å; R66-Y71 HydrophobicContact CG-CE2 4.37Å
67D91.8Very high95.4Very high55 Ų5540.4 Ų40.429%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-138.8117.9167.1-165.8-21000108.2D69 S70 Y79 I83 G86 A87D67-D69 PolarHBondContact O-N 2.89Å; D67-D69 VanDerWaalsContact O-N 3.16Å; D67-S70 PolarHBondContact N-O 2.92Å; D67-S70 PolarHBondContact O-N 3.34Å; D67-Y79 HydrophobicContact CB-CD1 4.32Å; D67-Y79 HydrophobicContact CB-CE1 3.55Å; D67-I83 HydrophobicContact CB-CD1 3.84Å; D67-G86 WeakPolarHBondContact OD2-CA 3.29Å; D67-A87 PolarHBondContact OD2-N 3.22Å
68G89Confident95.4Very high53 Ų5341.9 Ų41.955%0.54622%0.215SC..THydrogen-bonded Turntrans55.7-117.5-166.600000111.5R66R66-G68 WeakPolarHBondContact CG-O 3.33Å; R66-G68 PolarHBondContact NE-O 3.45Å; R66-G68 PolarHBondContact NH2-O 3.33Å
69D90.1Very high95.4Very high127 Ų12740 Ų4068%0.67920%0.203SC*.THydrogen-bonded Turntrans-105.311.8177.3-66.8-39.4000113.4R66 D67R66-D69 IonicContact NH2-OD1 3.08Å; R66-D69 PolarHBondContact NH2-OD1 3.31Å; D67-D69 PolarHBondContact O-N 2.89Å; D67-D69 VanDerWaalsContact O-N 3.16Å
70S94.7Very high95.3Very high7 Ų743.3 Ų43.35%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-111.7149.2-176.1-65.30000111.8R66 D67 E80 P81 I83R66-S70 CarbonylContact C-O 3.45Å; R66-S70 WeakPolarHBondContact CA-O 3.35Å; D67-S70 PolarHBondContact N-O 2.92Å; D67-S70 PolarHBondContact O-N 3.34Å; S70-E80 WeakPolarHBondContact CA-O 3.26Å; S70-P81 WeakPolarHBondContact CB-O 3.24Å; S70-P81 WeakPolarHBondContact OG-CD 3.46Å; S70-P81 PolarHBondContact OG-O 2.81Å; S70-I83 WeakPolarHBondContact OG-CG2 3.08Å
71Y97.4Very high95.1Very high47 Ų4746.8 Ų46.818%0.18424%0.241CC..EExtended strand (participates in β ladder)trans-122.1130.7179.5-65.6-93.3000112.1L61 N65 R66 Y79 E80L61-Y71 HydrophobicContact CB-CD1 3.91Å; L61-Y71 HydrophobicContact CB-CE1 3.86Å; L61-Y71 HydrophobicContact CB-CG 4.46Å; L61-Y71 HydrophobicContact CD1-CD1 4.43Å; L61-Y71 HydrophobicContact CD1-CD2 4.09Å; L61-Y71 HydrophobicContact CD1-CE1 4.45Å; L61-Y71 HydrophobicContact CD1-CE2 4.13Å; L61-Y71 HydrophobicContact CD1-CG 4.23Å; L61-Y71 HydrophobicContact CD2-CD1 3.83Å; L61-Y71 HydrophobicContact CD2-CD2 4.28Å; L61-Y71 HydrophobicContact CD2-CG 3.65Å; L61-Y71 HydrophobicContact CG-CD1 4.27Å; L61-Y71 HydrophobicContact CG-CG 4.33Å; N65-Y71 CarbonylContact O-C 3.54Å; N65-Y71 WeakPolarHBondContact O-CA 3.41Å; R66-Y71 HydrophobicContact CB-CD1 3.82Å; R66-Y71 HydrophobicContact CB-CE1 3.59Å; R66-Y71 HydrophobicContact CG-CD1 4.13Å; R66-Y71 HydrophobicContact CG-CE1 3.69Å; R66-Y71 HydrophobicContact CG-CE2 4.37Å; Y71-Y79 WeakPolarHBondContact O-CA 3.41Å; Y71-E80 PolarHBondContact N-O 3.24Å; Y71-E80 PolarHBondContact O-N 3.34Å
72R98.2Very high95.1Very high8 Ų850.5 Ų50.53%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-76.2125.5177.5-167.8167.959.782.21.2110.4N65 N77 K78 Y79 E97 Y120N65-R72 PolarHBondContact ND2-O 2.99Å; N65-R72 PolarHBondContact O-N 3.48Å; R72-N77 PolarHBondContact NH1-OD1 3.17Å; R72-N77 VanDerWaalsContact NH1-OD1 3.15Å; R72-K78 WeakPolarHBondContact CA-O 3.48Å; R72-Y79 HydrophobicContact CB-CD1 3.98Å; R72-Y79 HydrophobicContact CB-CD2 4.3Å; R72-Y79 HydrophobicContact CB-CE1 3.64Å; R72-Y79 HydrophobicContact CB-CE2 3.99Å; R72-Y79 HydrophobicContact CB-CG 4.29Å; R72-Y79 HydrophobicContact CG-CD2 4.42Å; R72-Y79 HydrophobicContact CG-CE2 4.14Å; R72-Y79 VanDerWaalsContact N-CD1 3.34Å; R72-E97 IonicContact CZ-OE1 3.48Å; R72-E97 IonicContact CZ-OE2 2.7Å; R72-E97 IonicContact NH1-OE1 3.42Å; R72-E97 PolarHBondContact NH1-OE1 3.01Å; R72-E97 VanDerWaalsContact NH1-OE1 3.08Å; R72-E97 IonicContact NH1-OE2 2.64Å; R72-E97 PolarHBondContact NH1-OE2 2.85Å; R72-E97 IonicContact NH2-OE1 2.69Å; R72-E97 PolarHBondContact NH2-OE1 3.24Å; R72-E97 IonicContact NH2-OE2 3.83Å; R72-Y120 VanDerWaalsContact O-CE1 3.23Å; R72-Y120 WeakPolarHBondContact O-CE1 3.33Å
73S98.4Very high95.2Very high2 Ų252.8 Ų52.81%0.01428%0.278CS..  trans-79.1136.2171.3-175.20000111.3D52 W75 N77 K78D52-S73 WeakPolarHBondContact CB-OG 3.5Å; D52-S73 WeakPolarHBondContact OD2-CB 3.36Å; D52-S73 PolarHBondContact OD2-OG 2.9Å; S73-W75 PolarHBondContact O-N 2.87Å; S73-W75 PolarHBondContact OG-N 3.49Å; S73-N77 VanDerWaalsContact O-CA 3.22Å; S73-N77 WeakPolarHBondContact O-CA 3.41Å; S73-N77 PolarHBondContact O-N 3.46Å; S73-K78 PolarHBondContact N-O 2.86Å
74P98.3Very high95.1Very high2 Ų259.5 Ų59.51%0.01331%0.307CS..THydrogen-bonded Turntrans-72.9-15.8177.431.4-32.2000111.7R94 Y120P74-R94 VanDerWaalsContact O-CZ 3.28Å; P74-R94 PolarHBondContact O-NH1 2.82Å; P74-R94 PolarHBondContact O-NH2 3.43Å; P74-Y120 HydrophobicContact CB-CD1 4.26Å; P74-Y120 HydrophobicContact CB-CE1 3.74Å; P74-Y120 WeakPolarHBondContact CD-OH 3.45Å; P74-Y120 HydrophobicContact CG-CE1 3.91Å
75W98Very high94.9Very high43 Ų4362.7 Ų62.716%0.16333%0.33CS..THydrogen-bonded Turntrans-86.6-63.7-177.1-46.1116000111.6V55 K57 D58 S73 R94 N101V55-W75 HydrophobicContact CB-CB 4.13Å; V55-W75 HydrophobicContact CG1-CB 4.37Å; V55-W75 HydrophobicContact CG2-CB 3.89Å; K57-W75 HydrophobicContact CB-CD2 4.37Å; K57-W75 HydrophobicContact CB-CG 4.15Å; K57-W75 HydrophobicContact CD-CD2 3.96Å; K57-W75 HydrophobicContact CD-CE3 4.23Å; K57-W75 HydrophobicContact CD-CG 4.31Å; K57-W75 HydrophobicContact CD-CZ2 4.45Å; D58-W75 PolarHBondContact O-NE1 2.7Å; S73-W75 PolarHBondContact O-N 2.87Å; S73-W75 PolarHBondContact OG-N 3.49Å; W75-R94 PolarHBondContact O-NH2 2.98Å; W75-N101 HydrophobicContact CH2-CB 4.46Å; W75-N101 HydrophobicContact CZ3-CB 4.16Å
76S97.3Very high94.7Very high29 Ų2963.4 Ų63.420%0.20334%0.338CS..THydrogen-bonded Turntrans-79.6-14.6179.257.10000114.4D52 K78D52-S76 WeakPolarHBondContact OD2-CB 3.19Å; D52-S76 PolarHBondContact OD2-N 3.48Å; D52-S76 PolarHBondContact OD2-OG 3.43Å; S76-K78 PolarHBondContact O-N 3.46Å; S76-K78 PolarHBondContact OG-N 3.03Å
77N97.6Very high94.7Very high36 Ų3662.4 Ų62.419%0.19335%0.348CS..  trans58.731.2-170.6-152.327.9000113R72 S73 M88 R94R72-N77 PolarHBondContact NH1-OD1 3.17Å; R72-N77 VanDerWaalsContact NH1-OD1 3.15Å; S73-N77 VanDerWaalsContact O-CA 3.22Å; S73-N77 WeakPolarHBondContact O-CA 3.41Å; S73-N77 PolarHBondContact O-N 3.46Å; N77-M88 HydrophobicContact CB-CE 4.33Å; N77-M88 WeakPolarHBondContact ND2-CE 3.45Å; N77-M88 WeakPolarHBondContact O-CE 3.13Å; N77-M88 WeakPolarHBondContact OD1-CE 3.42Å; N77-R94 VanDerWaalsContact CG-NE 3.29Å; N77-R94 PolarHBondContact ND2-NE 2.99Å
78K97.1Very high94.9Very high130 Ų13064.2 Ų64.257%0.56536%0.356SS*.  trans-118.2146.8179.2-67.4-174.8177.1-174.80110.7R72 S73 S76R72-K78 WeakPolarHBondContact CA-O 3.48Å; S73-K78 PolarHBondContact N-O 2.86Å; S76-K78 PolarHBondContact O-N 3.46Å; S76-K78 PolarHBondContact OG-N 3.03Å
79Y97.6Very high95.3Very high21 Ų2162.4 Ų62.48%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-79.6142.3171.2-79.3-85.5000111D67 Y71 R72 P81 P82 I83 A87 M88D67-Y79 HydrophobicContact CB-CD1 4.32Å; D67-Y79 HydrophobicContact CB-CE1 3.55Å; Y71-Y79 WeakPolarHBondContact O-CA 3.41Å; R72-Y79 HydrophobicContact CB-CD1 3.98Å; R72-Y79 HydrophobicContact CB-CD2 4.3Å; R72-Y79 HydrophobicContact CB-CE1 3.64Å; R72-Y79 HydrophobicContact CB-CE2 3.99Å; R72-Y79 HydrophobicContact CB-CG 4.29Å; R72-Y79 HydrophobicContact CG-CD2 4.42Å; R72-Y79 HydrophobicContact CG-CE2 4.14Å; R72-Y79 VanDerWaalsContact N-CD1 3.34Å; Y79-P81 CarbonylContact C-O 3.59Å; Y79-P81 CarbonylContact O-C 3.57Å; Y79-P82 WeakPolarHBondContact O-CA 3.19Å; Y79-I83 HydrophobicContact CD1-CD1 3.83Å; Y79-I83 HydrophobicContact CD1-CG1 4.32Å; Y79-I83 HydrophobicContact CD2-CD1 3.93Å; Y79-I83 HydrophobicContact CD2-CG1 3.91Å; Y79-I83 HydrophobicContact CE1-CD1 4.21Å; Y79-I83 HydrophobicContact CE2-CD1 4.29Å; Y79-I83 HydrophobicContact CG-CD1 3.69Å; Y79-I83 HydrophobicContact CG-CG1 3.71Å; Y79-A87 WeakPolarHBondContact CE2-O 3.48Å; Y79-A87 PolarHBondContact OH-O 3.16Å; Y79-M88 HydrophobicContact CD2-SD 4.33Å; Y79-M88 HydrophobicContact CE2-SD 3.82Å
80E95.3Very high95.6Very high75 Ų7558.6 Ų58.635%0.3532%0.317SS..EExtended strand (participates in β ladder)trans-129.1122.1169.5-177.674.6-174.800109.1K53 S70 Y71K53-E80 IonicContact NZ-OE1 3.72Å; K53-E80 PolarHBondContact NZ-OE1 3.03Å; S70-E80 WeakPolarHBondContact CA-O 3.26Å; Y71-E80 PolarHBondContact N-O 3.24Å; Y71-E80 PolarHBondContact O-N 3.34Å
81P96Very high95.7Very high73 Ų7362.7 Ų62.747%0.47435%0.352SS..SBendcis-57.6155.2-8.1-24.135000114.1S70 Y79 I83S70-P81 WeakPolarHBondContact CB-O 3.24Å; S70-P81 WeakPolarHBondContact OG-CD 3.46Å; S70-P81 PolarHBondContact OG-O 2.81Å; Y79-P81 CarbonylContact C-O 3.59Å; Y79-P81 CarbonylContact O-C 3.57Å; P81-I83 PolarHBondContact O-N 2.79Å
82P95.4Very high95.6Very high108 Ų10869.4 Ų69.470%0.70138%0.377SS*.  trans-61.4136179.4-23.534000112.6Y79Y79-P82 WeakPolarHBondContact O-CA 3.19Å
83I94.9Very high95.6Very high67 Ų6769.4 Ų69.434%0.34438%0.377SS..  trans-130.4149.3173.958.2175.9000109.5D67 S70 Y79 P81 G86D67-I83 HydrophobicContact CB-CD1 3.84Å; S70-I83 WeakPolarHBondContact OG-CG2 3.08Å; Y79-I83 HydrophobicContact CD1-CD1 3.83Å; Y79-I83 HydrophobicContact CD1-CG1 4.32Å; Y79-I83 HydrophobicContact CD2-CD1 3.93Å; Y79-I83 HydrophobicContact CD2-CG1 3.91Å; Y79-I83 HydrophobicContact CE1-CD1 4.21Å; Y79-I83 HydrophobicContact CE2-CD1 4.29Å; Y79-I83 HydrophobicContact CG-CD1 3.69Å; Y79-I83 HydrophobicContact CG-CG1 3.71Å; P81-I83 PolarHBondContact O-N 2.79Å; I83-G86 VanDerWaalsContact CD1-CA 3.4Å
84E87.4Confident95.6Very high192 Ų19271 Ų7190%0.89738%0.383SS*.SBendtrans-81.3-41.7-177.2-65.9-172166.800112.1
85D89.8Confident95.6Very high156 Ų15677.7 Ų77.783%0.83441%0.412SS*.SBendtrans-111.537.5-172-64.1-37.7000113.2
86G90.9Very high95.5Very high16 Ų1677.3 Ų77.317%0.16541%0.413CS..  trans-68144.8178.600000112.9D67 I83 M88D67-G86 WeakPolarHBondContact OD2-CA 3.29Å; I83-G86 VanDerWaalsContact CD1-CA 3.4Å; G86-M88 WeakPolarHBondContact O-CG 3.42Å; G86-M88 PolarHBondContact O-N 2.97Å
87A93.8Very high95.6Very high63 Ų6376 Ų7652%0.52140%0.403SS..  trans-61.5125.6174.200000111.3D67 Y79D67-A87 PolarHBondContact OD2-N 3.22Å; Y79-A87 WeakPolarHBondContact CE2-O 3.48Å; Y79-A87 PolarHBondContact OH-O 3.16Å
88M96.3Very high95.6Very high94 Ų9477 Ų7746%0.46341%0.411SS..  trans-126.6139.5-176.4-65.5-61.7-72.600111.1N77 Y79 G86N77-M88 HydrophobicContact CB-CE 4.33Å; N77-M88 WeakPolarHBondContact ND2-CE 3.45Å; N77-M88 WeakPolarHBondContact O-CE 3.13Å; N77-M88 WeakPolarHBondContact OD1-CE 3.42Å; Y79-M88 HydrophobicContact CD2-SD 4.33Å; Y79-M88 HydrophobicContact CE2-SD 3.82Å; G86-M88 WeakPolarHBondContact O-CG 3.42Å; G86-M88 PolarHBondContact O-N 2.97Å
89P96.6Very high95.7Very high15 Ų1575.2 Ų75.210%0.09741%0.405CS..  trans-66.9152.5173.727.9-33.7000111L93 R94P89-L93 HydrophobicContact CB-CB 4.29Å; P89-L93 HydrophobicContact CB-CD2 4.23Å; P89-L93 HydrophobicContact CB-CG 4.4Å; P89-R94 HydrophobicContact CG-CB 4.1Å
90S97.1Very high95.7Very high46 Ų4674.4 Ų74.432%0.32240%0.402SS..  trans-56.7154.4172.872.30000111.6R92 L93 R94 D123S90-R92 PolarHBondContact O-N 2.84Å; S90-R92 VanDerWaalsContact O-N 3.16Å; S90-L93 PolarHBondContact O-N 3.38Å; S90-L93 VanDerWaalsContact OG-CB 3.32Å; S90-L93 WeakPolarHBondContact OG-CB 3.36Å; S90-L93 PolarHBondContact OG-N 3.38Å; S90-R94 WeakPolarHBondContact O-CB 3.11Å; S90-R94 PolarHBondContact O-N 3.18Å; S90-D123 VanDerWaalsContact CB-OD1 3.32Å; S90-D123 WeakPolarHBondContact CB-OD1 3.12Å; S90-D123 WeakPolarHBondContact CB-OD2 3.34Å; S90-D123 PolarHBondContact N-OD2 3.42Å; S90-D123 PolarHBondContact OG-OD1 3.21Å; S90-D123 PolarHBondContact OG-OD2 3.29Å
91A97Very high95.9Very high93 Ų9371 Ų7177%0.76939%0.387SS*.Hα-helixtrans-57.8-35.2-177.600000113K95A91-K95 PolarHBondContact O-N 2.86Å
92R95.3Very high96Very high189 Ų18971.6 Ų71.671%0.71339%0.385SS*.Hα-helixtrans-65.8-48.8174177.4-179.5167.7-164.9-10.5110.6S90 K95 L96 E158S90-R92 PolarHBondContact O-N 2.84Å; S90-R92 VanDerWaalsContact O-N 3.16Å; R92-K95 PolarHBondContact O-N 2.77Å; R92-L96 PolarHBondContact O-N 2.97Å; R92-E158 IonicContact NH2-OE1 3.05Å
93L97.3Very high96.1Very high8 Ų868.3 Ų68.34%0.04237%0.367CS..Hα-helixtrans-69.4-35.2-177-168.464.3000112.1P89 S90 K95 L96 E97 L121 D123 F128P89-L93 HydrophobicContact CB-CB 4.29Å; P89-L93 HydrophobicContact CB-CD2 4.23Å; P89-L93 HydrophobicContact CB-CG 4.4Å; S90-L93 PolarHBondContact O-N 3.38Å; S90-L93 VanDerWaalsContact OG-CB 3.32Å; S90-L93 WeakPolarHBondContact OG-CB 3.36Å; S90-L93 PolarHBondContact OG-N 3.38Å; L93-K95 VanDerWaalsContact C-N 3.3Å; L93-K95 PolarHBondContact O-N 2.72Å; L93-L96 HydrophobicContact CD1-CD2 4.11Å; L93-L96 CarbonylContact O-C 3.57Å; L93-L96 WeakPolarHBondContact O-CB 3.45Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-L96 VanDerWaalsContact O-N 3.12Å; L93-E97 WeakPolarHBondContact O-CB 3.47Å; L93-E97 PolarHBondContact O-N 3.07Å; L93-L121 HydrophobicContact CD1-CB 3.99Å; L93-L121 HydrophobicContact CD1-CD1 3.79Å; L93-L121 HydrophobicContact CD2-CB 3.91Å; L93-L121 HydrophobicContact CG-CB 3.77Å; L93-L121 HydrophobicContact CG-CD1 4.26Å; L93-D123 HydrophobicContact CD2-CB 4.28Å; L93-F128 HydrophobicContact CD1-CB 3.72Å; L93-F128 HydrophobicContact CD1-CD1 4.31Å; L93-F128 HydrophobicContact CD1-CD2 3.88Å; L93-F128 HydrophobicContact CD1-CG 3.72Å; L93-F128 HydrophobicContact CD2-CB 4.07Å
94R98.2Very high96.3Very high36 Ų3665.4 Ų65.414%0.13635%0.353CS..Hα-helixtrans-59.7-39.1173.8179.354.8-174.1162.45.4112.3P74 W75 N77 P89 S90 L96 E97 V98P74-R94 VanDerWaalsContact O-CZ 3.28Å; P74-R94 PolarHBondContact O-NH1 2.82Å; P74-R94 PolarHBondContact O-NH2 3.43Å; W75-R94 PolarHBondContact O-NH2 2.98Å; N77-R94 VanDerWaalsContact CG-NE 3.29Å; N77-R94 PolarHBondContact ND2-NE 2.99Å; P89-R94 HydrophobicContact CG-CB 4.1Å; S90-R94 WeakPolarHBondContact O-CB 3.11Å; S90-R94 PolarHBondContact O-N 3.18Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-E97 VanDerWaalsContact CD-OE2 3.27Å; R94-E97 WeakPolarHBondContact CD-OE2 3.38Å; R94-E97 IonicContact CZ-OE2 3.22Å; R94-E97 IonicContact NE-OE2 3.71Å; R94-E97 IonicContact NH1-OE2 3.85Å; R94-E97 PolarHBondContact NH1-OE2 3.12Å; R94-E97 PolarHBondContact O-N 2.69Å; R94-V98 WeakPolarHBondContact O-CG2 3.35Å; R94-V98 PolarHBondContact O-N 3.31Å
95K98.1Very high96.8Very high142 Ų14258.7 Ų58.762%0.61732%0.323SS*.Hα-helixtrans-62.5-44.4175.1-172.5-177.6174.5-1720110.9A91 R92 L93 E97 V98 E99A91-K95 PolarHBondContact O-N 2.86Å; R92-K95 PolarHBondContact O-N 2.77Å; L93-K95 VanDerWaalsContact C-N 3.3Å; L93-K95 PolarHBondContact O-N 2.72Å; K95-E97 VanDerWaalsContact C-N 3.34Å; K95-E97 PolarHBondContact O-N 3.43Å; K95-V98 PolarHBondContact O-N 2.57Å; K95-E99 WeakPolarHBondContact CE-OE1 3.35Å; K95-E99 WeakPolarHBondContact O-CG 3.32Å; K95-E99 PolarHBondContact O-N 3.32Å; K95-E99 VanDerWaalsContact O-N 3.12Å
96L97.4Very high97.2Very high35 Ų3557.3 Ų57.318%0.18331%0.311CS..Hα-helixtrans-63.3-39.4175.7-167.171.2000111.8R92 L93 R94 V98 E99 A100 L121 F128 I210R92-L96 PolarHBondContact O-N 2.97Å; L93-L96 HydrophobicContact CD1-CD2 4.11Å; L93-L96 CarbonylContact O-C 3.57Å; L93-L96 WeakPolarHBondContact O-CB 3.45Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-L96 VanDerWaalsContact O-N 3.12Å; R94-L96 VanDerWaalsContact C-N 3.34Å; L96-V98 PolarHBondContact O-N 2.82Å; L96-E99 PolarHBondContact O-N 3.28Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.41Å; L96-A100 PolarHBondContact O-N 3.42Å; L96-L121 HydrophobicContact CB-CD1 4.13Å; L96-L121 HydrophobicContact CD2-CD1 4.02Å; L96-L121 HydrophobicContact CG-CD1 4.05Å; L96-F128 HydrophobicContact CD2-CE1 4.15Å; L96-F128 HydrophobicContact CD2-CE2 4.09Å; L96-F128 HydrophobicContact CD2-CZ 3.78Å; L96-I210 HydrophobicContact CD1-CD1 3.58Å; L96-I210 HydrophobicContact CD1-CG1 3.82Å; L96-I210 HydrophobicContact CG-CD1 4.13Å; L96-I210 HydrophobicContact CG-CG1 4.24Å
97E98.6Very high97.6Very high0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-62.4-40.8177.1-174-176.9-117.700111.5R72 L93 R94 K95 A100 N101 Y120 L121R72-E97 IonicContact CZ-OE1 3.48Å; R72-E97 IonicContact CZ-OE2 2.7Å; R72-E97 IonicContact NH1-OE1 3.42Å; R72-E97 PolarHBondContact NH1-OE1 3.01Å; R72-E97 VanDerWaalsContact NH1-OE1 3.08Å; R72-E97 IonicContact NH1-OE2 2.64Å; R72-E97 PolarHBondContact NH1-OE2 2.85Å; R72-E97 IonicContact NH2-OE1 2.69Å; R72-E97 PolarHBondContact NH2-OE1 3.24Å; R72-E97 IonicContact NH2-OE2 3.83Å; L93-E97 WeakPolarHBondContact O-CB 3.47Å; L93-E97 PolarHBondContact O-N 3.07Å; R94-E97 VanDerWaalsContact CD-OE2 3.27Å; R94-E97 WeakPolarHBondContact CD-OE2 3.38Å; R94-E97 IonicContact CZ-OE2 3.22Å; R94-E97 IonicContact NE-OE2 3.71Å; R94-E97 IonicContact NH1-OE2 3.85Å; R94-E97 PolarHBondContact NH1-OE2 3.12Å; R94-E97 PolarHBondContact O-N 2.69Å; K95-E97 VanDerWaalsContact C-N 3.34Å; K95-E97 PolarHBondContact O-N 3.43Å; E97-A100 PolarHBondContact O-N 3.31Å; E97-N101 PolarHBondContact O-N 3.1Å; E97-N101 PolarHBondContact O-ND2 3.34Å; E97-Y120 WeakPolarHBondContact OE1-CA 3.49Å; E97-L121 HydrophobicContact CB-CB 4.23Å; E97-L121 HydrophobicContact CB-CD1 3.91Å; E97-L121 HydrophobicContact CB-CG 3.91Å; E97-L121 HydrophobicContact CG-CB 4.38Å; E97-L121 HydrophobicContact CG-CG 4.1Å; E97-L121 PolarHBondContact OE1-N 2.95Å
98V98.5Very high97.8Very high59 Ų5956.1 Ų56.136%0.35829%0.288SS..Hα-helixtrans-65.3-44.2175.51720000111.3R94 K95 L96 A100 N101 N102R94-V98 WeakPolarHBondContact O-CG2 3.35Å; R94-V98 PolarHBondContact O-N 3.31Å; K95-V98 PolarHBondContact O-N 2.57Å; L96-V98 PolarHBondContact O-N 2.82Å; V98-A100 VanDerWaalsContact C-N 3.33Å; V98-N101 PolarHBondContact O-N 2.97Å; V98-N102 PolarHBondContact O-N 2.75Å; V98-N102 VanDerWaalsContact O-N 3.15Å; V98-N102 PolarHBondContact O-ND2 3.43Å
99E98.3Very high97.8Very high92 Ų9255.9 Ų55.943%0.4329%0.289SS..Hα-helixtrans-62.3-41.3175.2-70.7172-164.900111.5K95 L96 N102 A103 I210K95-E99 WeakPolarHBondContact CE-OE1 3.35Å; K95-E99 WeakPolarHBondContact O-CG 3.32Å; K95-E99 PolarHBondContact O-N 3.32Å; K95-E99 VanDerWaalsContact O-N 3.12Å; L96-E99 PolarHBondContact O-N 3.28Å; E99-N102 PolarHBondContact O-N 3Å; E99-A103 PolarHBondContact O-N 3.12Å; E99-I210 HydrophobicContact CB-CD1 3.55Å
100A98.4Very high97.8Very high4 Ų461.7 Ų61.73%0.03332%0.318CS..Hα-helixtrans-65.1-43.7177.700000111.8L96 E97 V98 N102 A103 F104 V119 I210L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.41Å; L96-A100 PolarHBondContact O-N 3.42Å; E97-A100 PolarHBondContact O-N 3.31Å; V98-A100 VanDerWaalsContact C-N 3.33Å; A100-N102 VanDerWaalsContact C-N 3.3Å; A100-N102 PolarHBondContact O-N 2.8Å; A100-A103 PolarHBondContact O-N 2.82Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 PolarHBondContact O-N 3.44Å; A100-V119 HydrophobicContact CB-CB 4.43Å; A100-V119 HydrophobicContact CB-CG1 3.87Å; A100-I210 HydrophobicContact CB-CD1 4.04Å; A100-I210 HydrophobicContact CB-CG1 4.1Å
101N98.6Very high97.8Very high4 Ų464.3 Ų64.32%0.02132%0.322CS..Hα-helixtrans-57.5-43.9174.2-85.4-82.1000111.4W75 E97 V98 A103 D105 V119W75-N101 HydrophobicContact CH2-CB 4.46Å; W75-N101 HydrophobicContact CZ3-CB 4.16Å; E97-N101 PolarHBondContact O-N 3.1Å; E97-N101 PolarHBondContact O-ND2 3.34Å; V98-N101 PolarHBondContact O-N 2.97Å; N101-A103 PolarHBondContact O-N 3.02Å; N101-D105 VanDerWaalsContact O-CB 3.25Å; N101-D105 WeakPolarHBondContact O-CB 3.18Å; N101-D105 PolarHBondContact O-N 3.36Å; N101-V119 PolarHBondContact ND2-O 2.89Å; N101-V119 PolarHBondContact OD1-N 2.86Å
102N98.3Very high97.8Very high84 Ų8461.1 Ų61.145%0.44929%0.291SS..Hα-helixtrans-66.1-37.7177.9-68.5-29.7000113V98 E99 A100 Q106V98-N102 PolarHBondContact O-N 2.75Å; V98-N102 VanDerWaalsContact O-N 3.15Å; V98-N102 PolarHBondContact O-ND2 3.43Å; E99-N102 PolarHBondContact O-N 3Å; A100-N102 VanDerWaalsContact C-N 3.3Å; A100-N102 PolarHBondContact O-N 2.8Å; N102-Q106 PolarHBondContact O-N 3.01Å; N102-Q106 PolarHBondContact O-NE2 3.09Å
103A98.3Very high97.8Very high39 Ų3960 Ų6032%0.32229%0.294SS..Hα-helixtrans-68.1-46.1177.100000111.6E99 A100 N101 Q106 Y107 I210E99-A103 PolarHBondContact O-N 3.12Å; A100-A103 PolarHBondContact O-N 2.82Å; N101-A103 PolarHBondContact O-N 3.02Å; A103-Q106 WeakPolarHBondContact O-CB 3.37Å; A103-Q106 PolarHBondContact O-N 2.79Å; A103-Y107 PolarHBondContact O-N 3.35Å; A103-I210 HydrophobicContact CB-CG2 3.83Å
104F98.5Very high97.6Very high7 Ų760.7 Ų60.73%0.03130%0.303CS..Hα-helixtrans-76.9-20.9-178.9-78.9-74.5000113.8A100 Q106 Y107 R108 V119 I132 I213 V217A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 PolarHBondContact O-N 3.44Å; F104-Q106 VanDerWaalsContact C-N 3.35Å; F104-Y107 HydrophobicContact CD1-CD1 4.14Å; F104-Y107 HydrophobicContact CD1-CG 4.25Å; F104-R108 VanDerWaalsContact O-CB 3.31Å; F104-R108 WeakPolarHBondContact O-CB 3.49Å; F104-R108 PolarHBondContact O-N 3.27Å; F104-V119 HydrophobicContact CB-CG2 3.86Å; F104-V119 HydrophobicContact CD2-CG2 3.82Å; F104-V119 HydrophobicContact CG-CG2 4.1Å; F104-I132 HydrophobicContact CB-CG2 4.24Å; F104-I132 HydrophobicContact CD1-CG2 3.63Å; F104-I132 HydrophobicContact CD2-CG1 4.05Å; F104-I132 HydrophobicContact CD2-CG2 4.23Å; F104-I132 HydrophobicContact CE1-CG1 4.27Å; F104-I132 HydrophobicContact CE1-CG2 3.98Å; F104-I132 HydrophobicContact CE2-CD1 4.47Å; F104-I132 HydrophobicContact CE2-CG1 3.76Å; F104-I132 HydrophobicContact CG-CG1 4.43Å; F104-I132 HydrophobicContact CG-CG2 3.77Å; F104-I132 HydrophobicContact CZ-CD1 4.41Å; F104-I132 HydrophobicContact CZ-CG1 3.87Å; F104-I132 HydrophobicContact CZ-CG2 4.42Å; F104-I213 HydrophobicContact CE2-CG2 4.46Å; F104-I213 HydrophobicContact CZ-CG2 4.16Å; F104-V217 HydrophobicContact CE1-CB 4.13Å; F104-V217 HydrophobicContact CE1-CG1 3.98Å; F104-V217 HydrophobicContact CE1-CG2 4.27Å; F104-V217 HydrophobicContact CZ-CB 4.43Å; F104-V217 HydrophobicContact CZ-CG2 4.2Å
105D98.2Very high97.5Very high50 Ų5060.7 Ų60.727%0.26731%0.314SS..Hα-helixtrans-64.6-40.6167.7-16471.2000111.2N101 R108 D109N101-D105 VanDerWaalsContact O-CB 3.25Å; N101-D105 WeakPolarHBondContact O-CB 3.18Å; N101-D105 PolarHBondContact O-N 3.36Å; D105-R108 PolarHBondContact O-NH2 2.83Å; D105-R108 IonicContact OD1-CZ 2.75Å; D105-R108 IonicContact OD1-NH1 3.73Å; D105-R108 PolarHBondContact OD1-NH1 2.94Å; D105-R108 IonicContact OD1-NH2 3.38Å; D105-R108 PolarHBondContact OD1-NH2 3.16Å; D105-R108 IonicContact OD2-NH2 3.88Å; D105-R108 PolarHBondContact OD2-NH2 3.48Å; D105-D109 PolarHBondContact O-N 2.64Å
106Q98.1Very high97.5Very high128 Ų12854.8 Ų54.860%0.59829%0.29SS*.Hα-helixtrans-69.2-44.1173.3-70169.683.600112.1N102 A103 F104 R108 D109 L110N102-Q106 PolarHBondContact O-N 3.01Å; N102-Q106 PolarHBondContact O-NE2 3.09Å; A103-Q106 WeakPolarHBondContact O-CB 3.37Å; A103-Q106 PolarHBondContact O-N 2.79Å; F104-Q106 VanDerWaalsContact C-N 3.35Å; Q106-R108 VanDerWaalsContact C-N 3.31Å; Q106-R108 PolarHBondContact O-N 3.03Å; Q106-D109 PolarHBondContact O-N 3.02Å; Q106-L110 WeakPolarHBondContact O-CG 3.31Å; Q106-L110 PolarHBondContact O-N 3.01Å
107Y98.3Very high97.5Very high23 Ų2353.2 Ų53.29%0.0928%0.281CS..Hα-helixtrans-54.4-49.7173.4174.4-95.7000111.1A103 F104 D109 L110 Y111 F112 I134 E218 E221A103-Y107 PolarHBondContact O-N 3.35Å; F104-Y107 HydrophobicContact CD1-CD1 4.14Å; F104-Y107 HydrophobicContact CD1-CG 4.25Å; Y107-D109 VanDerWaalsContact C-N 3.34Å; Y107-D109 PolarHBondContact O-N 2.88Å; Y107-L110 PolarHBondContact O-N 2.87Å; Y107-Y111 AromaticContact CD2-CD2 3.73Å; Y107-Y111 HydrophobicContact CD2-CD2 3.73Å; Y107-Y111 AromaticContact CD2-CE2 3.79Å; Y107-Y111 HydrophobicContact CD2-CE2 3.79Å; Y107-Y111 HydrophobicContact CE1-CD2 4.45Å; Y107-Y111 AromaticContact CE2-CD2 3.48Å; Y107-Y111 HydrophobicContact CE2-CD2 3.48Å; Y107-Y111 VanDerWaalsContact CE2-CD2 3.48Å; Y107-Y111 AromaticContact CE2-CE2 3.42Å; Y107-Y111 HydrophobicContact CE2-CE2 3.42Å; Y107-Y111 VanDerWaalsContact CE2-CE2 3.42Å; Y107-Y111 HydrophobicContact CE2-CG 4.3Å; Y107-Y111 HydrophobicContact CG-CD2 4.31Å; Y107-Y111 AromaticContact CZ-CD2 3.88Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.33Å; Y107-Y111 PolarHBondContact O-N 2.82Å; Y107-Y111 VanDerWaalsContact O-N 3.08Å; Y107-F112 HydrophobicContact CE1-CE2 4.45Å; Y107-I134 HydrophobicContact CD1-CD1 3.79Å; Y107-I134 HydrophobicContact CE1-CD1 3.72Å; Y107-E218 HydrophobicContact CE2-CB 4Å; Y107-E218 HydrophobicContact CE2-CG 4.17Å; Y107-E221 PolarHBondContact OH-OE2 3.5Å
108R97.9Very high97.6Very high30 Ų3053.2 Ų53.211%0.11328%0.281CS..Hα-helixtrans-57.2-48.1176.6178.6-147.764.6-145.2-9110.8F104 D105 Q106 L110 Y111 F112 G114 S117 I134F104-R108 VanDerWaalsContact O-CB 3.31Å; F104-R108 WeakPolarHBondContact O-CB 3.49Å; F104-R108 PolarHBondContact O-N 3.27Å; D105-R108 PolarHBondContact O-NH2 2.83Å; D105-R108 IonicContact OD1-CZ 2.75Å; D105-R108 IonicContact OD1-NH1 3.73Å; D105-R108 PolarHBondContact OD1-NH1 2.94Å; D105-R108 IonicContact OD1-NH2 3.38Å; D105-R108 PolarHBondContact OD1-NH2 3.16Å; D105-R108 IonicContact OD2-NH2 3.88Å; D105-R108 PolarHBondContact OD2-NH2 3.48Å; Q106-R108 VanDerWaalsContact C-N 3.31Å; Q106-R108 PolarHBondContact O-N 3.03Å; R108-L110 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 3.2Å; R108-Y111 PolarHBondContact O-N 2.85Å; R108-F112 HydrophobicContact CG-CB 4.28Å; R108-F112 HydrophobicContact CG-CD2 4.3Å; R108-F112 WeakPolarHBondContact O-CA 3.46Å; R108-F112 VanDerWaalsContact O-CB 3.28Å; R108-F112 WeakPolarHBondContact O-CB 3.35Å; R108-F112 PolarHBondContact O-N 2.87Å; R108-G114 WeakPolarHBondContact CD-O 3.42Å; R108-S117 PolarHBondContact NH1-OG 3.26Å; R108-I134 HydrophobicContact CG-CG2 4.03Å
109D97Very high97.6Very high89 Ų8950.4 Ų50.448%0.47627%0.265SS..Hα-helixtrans-61-43.1-177.9-160.753.8000112.2D105 Q106 Y107 Y111 E113D105-D109 PolarHBondContact O-N 2.64Å; Q106-D109 PolarHBondContact O-N 3.02Å; Y107-D109 VanDerWaalsContact C-N 3.34Å; Y107-D109 PolarHBondContact O-N 2.88Å; D109-Y111 PolarHBondContact O-N 2.88Å; D109-E113 VanDerWaalsContact O-CA 3.24Å; D109-E113 WeakPolarHBondContact O-CA 3.34Å; D109-E113 PolarHBondContact O-N 2.85Å
110L97.3Very high97.6Very high137 Ų13746 Ų4672%0.71724%0.244SC*.Hα-helixtrans-65.7-37.1178.7-69.8171.3000113.8Q106 Y107 R108Q106-L110 WeakPolarHBondContact O-CG 3.31Å; Q106-L110 PolarHBondContact O-N 3.01Å; Y107-L110 PolarHBondContact O-N 2.87Å; R108-L110 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 3.2Å
111Y97.3Very high97.6Very high101 Ų10146.2 Ų46.240%0.39625%0.245SC..Hα-helixtrans-94.7-32.1-175.8-83.5-88.3000114.2Y107 R108 D109 E218Y107-Y111 AromaticContact CD2-CD2 3.73Å; Y107-Y111 HydrophobicContact CD2-CD2 3.73Å; Y107-Y111 AromaticContact CD2-CE2 3.79Å; Y107-Y111 HydrophobicContact CD2-CE2 3.79Å; Y107-Y111 HydrophobicContact CE1-CD2 4.45Å; Y107-Y111 AromaticContact CE2-CD2 3.48Å; Y107-Y111 HydrophobicContact CE2-CD2 3.48Å; Y107-Y111 VanDerWaalsContact CE2-CD2 3.48Å; Y107-Y111 AromaticContact CE2-CE2 3.42Å; Y107-Y111 HydrophobicContact CE2-CE2 3.42Å; Y107-Y111 VanDerWaalsContact CE2-CE2 3.42Å; Y107-Y111 HydrophobicContact CE2-CG 4.3Å; Y107-Y111 HydrophobicContact CG-CD2 4.31Å; Y107-Y111 AromaticContact CZ-CD2 3.88Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.33Å; Y107-Y111 PolarHBondContact O-N 2.82Å; Y107-Y111 VanDerWaalsContact O-N 3.08Å; R108-Y111 PolarHBondContact O-N 2.85Å; D109-Y111 PolarHBondContact O-N 2.88Å; Y111-E218 PolarHBondContact OH-OE1 2.92Å
112F95.6Very high97.5Very high27 Ų2749.5 Ų49.512%0.11826%0.257CS..Hα-helixtrans-114.5-13.4-172-62.9-95.7000113.1Y107 R108 G114 I134 K136 W148Y107-F112 HydrophobicContact CE1-CE2 4.45Å; R108-F112 HydrophobicContact CG-CB 4.28Å; R108-F112 HydrophobicContact CG-CD2 4.3Å; R108-F112 WeakPolarHBondContact O-CA 3.46Å; R108-F112 VanDerWaalsContact O-CB 3.28Å; R108-F112 WeakPolarHBondContact O-CB 3.35Å; R108-F112 PolarHBondContact O-N 2.87Å; F112-G114 PolarHBondContact O-N 2.97Å; F112-I134 HydrophobicContact CD1-CG2 4.45Å; F112-I134 HydrophobicContact CD2-CG2 4.08Å; F112-I134 HydrophobicContact CE1-CG2 4.31Å; F112-I134 HydrophobicContact CE2-CD1 3.95Å; F112-I134 HydrophobicContact CE2-CG2 3.93Å; F112-I134 HydrophobicContact CG-CG2 4.33Å; F112-I134 HydrophobicContact CZ-CG2 4.05Å; F112-K136 HydrophobicContact CB-CB 4.48Å; F112-K136 HydrophobicContact CB-CG 4.45Å; F112-K136 HydrophobicContact CD1-CB 3.73Å; F112-K136 HydrophobicContact CD1-CG 4.17Å; F112-K136 HydrophobicContact CE1-CB 4.45Å; F112-K136 HydrophobicContact CG-CB 4.46Å; F112-K136 PolarHBondContact O-NZ 3.02Å; F112-W148 AromaticContact CE1-CD1 3.46Å; F112-W148 VanDerWaalsContact CE1-CD1 3.46Å; F112-W148 HydrophobicContact CE1-CD2 4.26Å; F112-W148 AromaticContact CE1-CG 3.86Å; F112-W148 HydrophobicContact CE1-CG 3.86Å; F112-W148 AromaticContact CE1-NE1 3.63Å; F112-W148 AromaticContact CZ-CD1 3.92Å; F112-W148 AromaticContact CZ-NE1 3.66Å
113E95.1Very high97.5Very high166 Ų16649 Ų4978%0.77625%0.254SS*.SBendtrans48.545.9-179.7-60.5175.9-145.900111.7D109D109-E113 VanDerWaalsContact O-CA 3.24Å; D109-E113 WeakPolarHBondContact O-CA 3.34Å; D109-E113 PolarHBondContact O-N 2.85Å
114G93.8Very high97.3Very high22 Ų2250.4 Ų50.423%0.22726%0.256CS..SBendtrans132-163.7-177.200000113.6R108 F112R108-G114 WeakPolarHBondContact CD-O 3.42Å; F112-G114 PolarHBondContact O-N 2.97Å
115G96Very high97Very high36 Ų3657.7 Ų57.737%0.37130%0.295SS..  trans83.5-167.6-170.100000112.4K135G115-K135 CarbonylContact C-O 3.47Å; G115-K135 VanDerWaalsContact CA-O 3.28Å; G115-K135 WeakPolarHBondContact CA-O 3.38Å
116V98.1Very high96.6Very high17 Ų1762.5 Ų62.510%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-123.3145.3-179.7-174.30000108.3I49 D58 L60 I134 K135I49-V116 HydrophobicContact CD1-CG2 4.12Å; D58-V116 HydrophobicContact CB-CG1 4.06Å; D58-V116 HydrophobicContact CB-CG2 4.06Å; L60-V116 HydrophobicContact CD1-CG1 4.48Å; L60-V116 HydrophobicContact CD2-CB 4.11Å; L60-V116 HydrophobicContact CD2-CG1 4.09Å; L60-V116 HydrophobicContact CG-CB 4.31Å; L60-V116 HydrophobicContact CG-CG1 3.93Å; V116-I134 WeakPolarHBondContact O-CA 3.41Å; V116-K135 PolarHBondContact N-O 3.47Å; V116-K135 PolarHBondContact O-N 3.13Å
117S98.5Very high96.5Very high2 Ų257.1 Ų57.11%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-133.8154.5170.7540000110.4R108 L133R108-S117 PolarHBondContact NH1-OG 3.26Å; S117-L133 CarbonylContact C-O 3.6Å; S117-L133 WeakPolarHBondContact CA-O 3.3Å; S117-L133 WeakPolarHBondContact CB-O 3.17Å
118S98.7Very high96.5Very high0 Ų056.4 Ų56.40%029%0.292CS..EExtended strand (participates in β ladder)trans-152.5141.2175.9-61.30000109.9Y59 L60 L133Y59-S118 WeakPolarHBondContact CA-OG 3.36Å; L60-S118 PolarHBondContact N-OG 2.83Å; S118-L133 PolarHBondContact N-O 3.46Å; S118-L133 WeakPolarHBondContact O-CB 3.38Å; S118-L133 PolarHBondContact O-N 2.84Å
119V98.8Very high96.5Very high1 Ų155.1 Ų55.11%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-122.9131.7176.2-176.40000109.3A100 N101 F104 L121 V131 I132A100-V119 HydrophobicContact CB-CB 4.43Å; A100-V119 HydrophobicContact CB-CG1 3.87Å; N101-V119 PolarHBondContact ND2-O 2.89Å; N101-V119 PolarHBondContact OD1-N 2.86Å; F104-V119 HydrophobicContact CB-CG2 3.86Å; F104-V119 HydrophobicContact CD2-CG2 3.82Å; F104-V119 HydrophobicContact CG-CG2 4.1Å; V119-L121 HydrophobicContact CG1-CD2 4.1Å; V119-V131 WeakPolarHBondContact CA-O 3.44Å; V119-I132 HydrophobicContact CG1-CG1 4.28Å; V119-I132 HydrophobicContact CG2-CB 4.43Å; V119-I132 HydrophobicContact CG2-CG1 4.16Å; V119-I132 HydrophobicContact CG2-CG2 4.11Å
120Y98.6Very high96.5Very high0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-126.1133.3173.9-51.6-75.5000110Y59 L60 N65 R72 P74 E97 G130 V131 L133Y59-Y120 VanDerWaalsContact CD2-OH 3.31Å; Y59-Y120 WeakPolarHBondContact CD2-OH 3.26Å; L60-Y120 WeakPolarHBondContact O-CE2 3.39Å; L60-Y120 PolarHBondContact O-OH 3.48Å; N65-Y120 HydrophobicContact CB-CD1 3.61Å; N65-Y120 HydrophobicContact CB-CD2 3.61Å; N65-Y120 HydrophobicContact CB-CE1 3.67Å; N65-Y120 HydrophobicContact CB-CE2 3.66Å; N65-Y120 HydrophobicContact CB-CG 3.58Å; N65-Y120 VanDerWaalsContact CG-CE2 3.48Å; N65-Y120 VanDerWaalsContact CG-CZ 3.49Å; N65-Y120 PolarHBondContact ND2-OH 2.85Å; N65-Y120 VanDerWaalsContact ND2-OH 3.13Å; R72-Y120 VanDerWaalsContact O-CE1 3.23Å; R72-Y120 WeakPolarHBondContact O-CE1 3.33Å; P74-Y120 HydrophobicContact CB-CD1 4.26Å; P74-Y120 HydrophobicContact CB-CE1 3.74Å; P74-Y120 WeakPolarHBondContact CD-OH 3.45Å; P74-Y120 HydrophobicContact CG-CE1 3.91Å; E97-Y120 WeakPolarHBondContact OE1-CA 3.49Å; Y120-G130 CarbonylContact O-C 3.38Å; Y120-G130 WeakPolarHBondContact O-CA 3.35Å; Y120-V131 HydrophobicContact CD2-CG1 3.8Å; Y120-V131 HydrophobicContact CG-CG1 4.4Å; Y120-V131 PolarHBondContact N-O 2.98Å; Y120-V131 PolarHBondContact O-N 2.67Å; Y120-L133 HydrophobicContact CD2-CD1 4.29Å; Y120-L133 HydrophobicContact CE2-CD1 3.86Å
121L98.5Very high96.6Very high8 Ų844.4 Ų44.44%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-117.8147.6176.4-54.3-175.3000110L93 L96 E97 V119 F128 A129L93-L121 HydrophobicContact CD1-CB 3.99Å; L93-L121 HydrophobicContact CD1-CD1 3.79Å; L93-L121 HydrophobicContact CD2-CB 3.91Å; L93-L121 HydrophobicContact CG-CB 3.77Å; L93-L121 HydrophobicContact CG-CD1 4.26Å; L96-L121 HydrophobicContact CB-CD1 4.13Å; L96-L121 HydrophobicContact CD2-CD1 4.02Å; L96-L121 HydrophobicContact CG-CD1 4.05Å; E97-L121 HydrophobicContact CB-CB 4.23Å; E97-L121 HydrophobicContact CB-CD1 3.91Å; E97-L121 HydrophobicContact CB-CG 3.91Å; E97-L121 HydrophobicContact CG-CB 4.38Å; E97-L121 HydrophobicContact CG-CG 4.1Å; E97-L121 PolarHBondContact OE1-N 2.95Å; V119-L121 HydrophobicContact CG1-CD2 4.1Å; L121-F128 HydrophobicContact CD1-CD2 4.47Å; L121-F128 HydrophobicContact CD1-CE2 4.42Å; L121-F128 HydrophobicContact CD2-CD2 4.45Å; L121-F128 HydrophobicContact CD2-CE2 4.44Å; L121-A129 CarbonylContact C-O 3.59Å; L121-A129 VanDerWaalsContact CA-O 3.3Å; L121-A129 WeakPolarHBondContact CA-O 3.35Å
122W97.6Very high96.6Very high72 Ų7239.7 Ų39.727%0.27321%0.213SC..EExtended strand (participates in β ladder)trans-138.2147.6172.762.994.6000111.3Y64 F128 A129 V131 V153Y64-W122 AromaticContact CD1-CH2 3.59Å; Y64-W122 HydrophobicContact CD1-CH2 3.59Å; Y64-W122 HydrophobicContact CD1-CZ2 4.03Å; Y64-W122 HydrophobicContact CD1-CZ3 4.05Å; Y64-W122 HydrophobicContact CE1-CH2 4.09Å; Y64-W122 HydrophobicContact CE1-CZ2 4.34Å; Y64-W122 AromaticContact CG-CH2 3.96Å; Y64-W122 HydrophobicContact CG-CH2 3.96Å; Y64-W122 HydrophobicContact CG-CZ3 4.06Å; W122-F128 WeakPolarHBondContact O-CA 3.4Å; W122-F128 WeakPolarHBondContact O-CB 3.33Å; W122-A129 HydrophobicContact CD2-CB 4.12Å; W122-A129 HydrophobicContact CH2-CB 4.16Å; W122-A129 HydrophobicContact CZ2-CB 3.41Å; W122-A129 VanDerWaalsContact CZ2-CB 3.41Å; W122-A129 PolarHBondContact N-O 2.85Å; W122-A129 PolarHBondContact O-N 2.65Å; W122-V131 HydrophobicContact CZ3-CB 4.21Å; W122-V131 HydrophobicContact CZ3-CG1 4.25Å; W122-V153 HydrophobicContact CH2-CG1 4.3Å
123D96.5Very high96.8Very high74 Ų7438.4 Ų38.440%0.39621%0.207SC..EExtended strand (participates in β ladder)trans-74147-177.2-60-92.2000110.8S90 L93S90-D123 VanDerWaalsContact CB-OD1 3.32Å; S90-D123 WeakPolarHBondContact CB-OD1 3.12Å; S90-D123 WeakPolarHBondContact CB-OD2 3.34Å; S90-D123 PolarHBondContact N-OD2 3.42Å; S90-D123 PolarHBondContact OG-OD1 3.21Å; S90-D123 PolarHBondContact OG-OD2 3.29Å; L93-D123 HydrophobicContact CD2-CB 4.28Å
124L95.4Very high96.9Very high68 Ų6830.5 Ų30.536%0.35617%0.17SC..EExtended strand (participates in β ladder)trans-125163.5170.5-60.9176.8000109.1H126 G127 A129 E155L124-H126 PolarHBondContact O-N 3.48Å; L124-G127 PolarHBondContact N-O 3.4Å; L124-G127 VanDerWaalsContact N-O 3.11Å; L124-G127 VanDerWaalsContact O-O 3.13Å; L124-A129 HydrophobicContact CD1-CB 3.88Å; L124-A129 HydrophobicContact CG-CB 4.32Å; L124-E155 HydrophobicContact CD1-CG 3.95Å
125D91.4Very high97.1Very high161 Ų16131 Ų3186%0.86117%0.166SC*.THydrogen-bonded Turntrans-57.5-34.8177.5-67.7-28.8000112.8
126H90.8Very high97.1Very high150 Ų15032.1 Ų32.169%0.69416%0.161SC*.THydrogen-bonded Turntrans-12947.4-175.4-61.6-33.5000112.6L124 Q157 E158L124-H126 PolarHBondContact O-N 3.48Å; H126-Q157 WeakPolarHBondContact O-CA 3.49Å; H126-E158 PolarHBondContact O-N 3.36Å
127G95.3Very high96.9Very high15 Ų1534.1 Ų34.116%0.15518%0.179CC..EExtended strand (participates in β ladder)trans139.4-135.9174.400000111.3L124 V156L124-G127 PolarHBondContact N-O 3.4Å; L124-G127 VanDerWaalsContact N-O 3.11Å; L124-G127 VanDerWaalsContact O-O 3.13Å; G127-V156 WeakPolarHBondContact CA-O 3.35Å
128F97.6Very high96.2Very high8 Ų835.9 Ų35.94%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-152.2163.3176.967.2-85000110.2L93 L96 L121 W122 V156 H209 I213L93-F128 HydrophobicContact CD1-CB 3.72Å; L93-F128 HydrophobicContact CD1-CD1 4.31Å; L93-F128 HydrophobicContact CD1-CD2 3.88Å; L93-F128 HydrophobicContact CD1-CG 3.72Å; L93-F128 HydrophobicContact CD2-CB 4.07Å; L96-F128 HydrophobicContact CD2-CE1 4.15Å; L96-F128 HydrophobicContact CD2-CE2 4.09Å; L96-F128 HydrophobicContact CD2-CZ 3.78Å; L121-F128 HydrophobicContact CD1-CD2 4.47Å; L121-F128 HydrophobicContact CD1-CE2 4.42Å; L121-F128 HydrophobicContact CD2-CD2 4.45Å; L121-F128 HydrophobicContact CD2-CE2 4.44Å; W122-F128 WeakPolarHBondContact O-CA 3.4Å; W122-F128 WeakPolarHBondContact O-CB 3.33Å; F128-V156 HydrophobicContact CD1-CB 4.16Å; F128-V156 HydrophobicContact CD1-CG1 4.42Å; F128-V156 HydrophobicContact CD2-CG2 4.4Å; F128-V156 HydrophobicContact CE1-CB 3.9Å; F128-V156 HydrophobicContact CE1-CG1 3.86Å; F128-V156 HydrophobicContact CE1-CG2 4.19Å; F128-V156 HydrophobicContact CE2-CB 4.31Å; F128-V156 HydrophobicContact CE2-CG2 3.85Å; F128-V156 HydrophobicContact CG-CB 4.48Å; F128-V156 HydrophobicContact CZ-CB 3.98Å; F128-V156 HydrophobicContact CZ-CG1 4.15Å; F128-V156 HydrophobicContact CZ-CG2 3.73Å; F128-V156 PolarHBondContact N-O 2.83Å; F128-V156 VanDerWaalsContact N-O 3.1Å; F128-V156 WeakPolarHBondContact O-CA 3.45Å; F128-V156 WeakPolarHBondContact O-CB 3.28Å; F128-V156 PolarHBondContact O-N 3.04Å; F128-H209 HydrophobicContact CE1-CB 4.46Å; F128-H209 HydrophobicContact CZ-CB 4.01Å; F128-I213 HydrophobicContact CE2-CD1 4.17Å; F128-I213 HydrophobicContact CZ-CD1 4.21Å
129A98.1Very high95.1Very high4 Ų443.1 Ų43.13%0.03324%0.236CC..EExtended strand (participates in β ladder)trans-127167.3168.600000110.3L121 W122 L124 V154L121-A129 CarbonylContact C-O 3.59Å; L121-A129 VanDerWaalsContact CA-O 3.3Å; L121-A129 WeakPolarHBondContact CA-O 3.35Å; W122-A129 HydrophobicContact CD2-CB 4.12Å; W122-A129 HydrophobicContact CH2-CB 4.16Å; W122-A129 HydrophobicContact CZ2-CB 3.41Å; W122-A129 VanDerWaalsContact CZ2-CB 3.41Å; W122-A129 PolarHBondContact N-O 2.85Å; W122-A129 PolarHBondContact O-N 2.65Å; L124-A129 HydrophobicContact CD1-CB 3.88Å; L124-A129 HydrophobicContact CG-CB 4.32Å; A129-V154 CarbonylContact C-O 3.52Å; A129-V154 WeakPolarHBondContact CA-O 3.49Å; A129-V154 VanDerWaalsContact CB-O 3.29Å; A129-V154 WeakPolarHBondContact CB-O 3.34Å
130G98Very high93.2Very high0 Ų045.3 Ų45.30%026%0.259CS..EExtended strand (participates in β ladder)trans-157.8159.7-179.600000113Y120 V153 V154Y120-G130 CarbonylContact O-C 3.38Å; Y120-G130 WeakPolarHBondContact O-CA 3.35Å; G130-V153 CarbonylContact O-C 3.6Å; G130-V153 WeakPolarHBondContact O-CA 3.39Å; G130-V154 PolarHBondContact N-O 3.38Å; G130-V154 PolarHBondContact O-N 2.85Å
131V98.3Very high91.9Very high0 Ų047.8 Ų47.80%028%0.276CS..EExtended strand (participates in β ladder)trans-121.7133.1170.568.20000109.7Y64 V119 Y120 W122 L133 I151 H152 V153Y64-V131 HydrophobicContact CD2-CB 3.98Å; Y64-V131 HydrophobicContact CD2-CG1 4.07Å; Y64-V131 HydrophobicContact CD2-CG2 3.99Å; Y64-V131 HydrophobicContact CE2-CG2 4.37Å; Y64-V131 HydrophobicContact CG-CB 4.4Å; Y64-V131 HydrophobicContact CG-CG1 4.26Å; V119-V131 WeakPolarHBondContact CA-O 3.44Å; Y120-V131 HydrophobicContact CD2-CG1 3.8Å; Y120-V131 HydrophobicContact CG-CG1 4.4Å; Y120-V131 PolarHBondContact N-O 2.98Å; Y120-V131 PolarHBondContact O-N 2.67Å; W122-V131 HydrophobicContact CZ3-CB 4.21Å; W122-V131 HydrophobicContact CZ3-CG1 4.25Å; V131-L133 HydrophobicContact CG1-CG 4.47Å; V131-L133 HydrophobicContact CG2-CD2 3.51Å; V131-L133 HydrophobicContact CG2-CG 4.05Å; V131-I151 HydrophobicContact CG2-CG2 4.11Å; V131-H152 CarbonylContact C-O 3.57Å; V131-H152 VanDerWaalsContact CA-O 3.26Å; V131-H152 WeakPolarHBondContact CA-O 3.5Å; V131-V153 HydrophobicContact CG2-CG2 4.08Å
132I98.7Very high90.3Very high2 Ų257 Ų571%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-109.9122.4171-53.386.3000107.3F104 V119 H152 V154 I213 V217F104-I132 HydrophobicContact CB-CG2 4.24Å; F104-I132 HydrophobicContact CD1-CG2 3.63Å; F104-I132 HydrophobicContact CD2-CG1 4.05Å; F104-I132 HydrophobicContact CD2-CG2 4.23Å; F104-I132 HydrophobicContact CE1-CG1 4.27Å; F104-I132 HydrophobicContact CE1-CG2 3.98Å; F104-I132 HydrophobicContact CE2-CD1 4.47Å; F104-I132 HydrophobicContact CE2-CG1 3.76Å; F104-I132 HydrophobicContact CG-CG1 4.43Å; F104-I132 HydrophobicContact CG-CG2 3.77Å; F104-I132 HydrophobicContact CZ-CD1 4.41Å; F104-I132 HydrophobicContact CZ-CG1 3.87Å; F104-I132 HydrophobicContact CZ-CG2 4.42Å; V119-I132 HydrophobicContact CG1-CG1 4.28Å; V119-I132 HydrophobicContact CG2-CB 4.43Å; V119-I132 HydrophobicContact CG2-CG1 4.16Å; V119-I132 HydrophobicContact CG2-CG2 4.11Å; I132-H152 HydrophobicContact CB-CB 4.08Å; I132-H152 HydrophobicContact CD1-CB 4.18Å; I132-H152 PolarHBondContact N-O 2.91Å; I132-H152 PolarHBondContact O-N 2.78Å; I132-V154 HydrophobicContact CD1-CG1 4.09Å; I132-I213 HydrophobicContact CD1-CG2 4.05Å; I132-V217 HydrophobicContact CD1-CG2 4.34Å
133L98.6Very high89.3Confident0 Ų060.3 Ų60.30%033%0.333CS..EExtended strand (participates in β ladder)trans-115.3133.7-177.3-57.7179.4000109.5L47 L60 C62 S117 S118 Y120 V131 S150 I151L47-L133 HydrophobicContact CD1-CB 4.08Å; L47-L133 HydrophobicContact CD1-CD2 4.24Å; L47-L133 HydrophobicContact CD2-CD1 4.25Å; L47-L133 HydrophobicContact CD2-CD2 3.86Å; L60-L133 HydrophobicContact CB-CB 4.01Å; L60-L133 HydrophobicContact CB-CD1 3.76Å; L60-L133 HydrophobicContact CD1-CB 3.6Å; L60-L133 HydrophobicContact CG-CB 4.44Å; C62-L133 HydrophobicContact CB-CD1 3.91Å; C62-L133 HydrophobicContact CB-CD2 4.49Å; S117-L133 CarbonylContact C-O 3.6Å; S117-L133 WeakPolarHBondContact CA-O 3.3Å; S117-L133 WeakPolarHBondContact CB-O 3.17Å; S118-L133 PolarHBondContact N-O 3.46Å; S118-L133 WeakPolarHBondContact O-CB 3.38Å; S118-L133 PolarHBondContact O-N 2.84Å; Y120-L133 HydrophobicContact CD2-CD1 4.29Å; Y120-L133 HydrophobicContact CE2-CD1 3.86Å; V131-L133 HydrophobicContact CG1-CG 4.47Å; V131-L133 HydrophobicContact CG2-CD2 3.51Å; V131-L133 HydrophobicContact CG2-CG 4.05Å; L133-S150 WeakPolarHBondContact CA-O 3.24Å; L133-I151 HydrophobicContact CD2-CB 4.32Å; L133-I151 HydrophobicContact CD2-CG1 4.1Å; L133-I151 HydrophobicContact CD2-CG2 4.01Å
134I98.6Very high88.6Confident0 Ų060.3 Ų60.30%033%0.332CS..EExtended strand (participates in β ladder)trans-133.9129.7171.5-57.9174.6000108.4Y107 R108 F112 V116 D149 S150Y107-I134 HydrophobicContact CD1-CD1 3.79Å; Y107-I134 HydrophobicContact CE1-CD1 3.72Å; R108-I134 HydrophobicContact CG-CG2 4.03Å; F112-I134 HydrophobicContact CD1-CG2 4.45Å; F112-I134 HydrophobicContact CD2-CG2 4.08Å; F112-I134 HydrophobicContact CE1-CG2 4.31Å; F112-I134 HydrophobicContact CE2-CD1 3.95Å; F112-I134 HydrophobicContact CE2-CG2 3.93Å; F112-I134 HydrophobicContact CG-CG2 4.33Å; F112-I134 HydrophobicContact CZ-CG2 4.05Å; V116-I134 WeakPolarHBondContact O-CA 3.41Å; I134-D149 CarbonylContact O-C 3.52Å; I134-D149 WeakPolarHBondContact O-CA 3.37Å; I134-S150 PolarHBondContact N-O 3.36Å; I134-S150 PolarHBondContact O-N 2.97Å
135K97.8Very high88.3Confident32 Ų3262.4 Ų62.414%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-125119.6172.5-175.5176.6-167.879.30110.1L47 I49 L60 G115 V116 C147 W148 D149L47-K135 HydrophobicContact CB-CB 4.47Å; L47-K135 HydrophobicContact CB-CD 4.25Å; L47-K135 HydrophobicContact CD1-CB 4.49Å; L47-K135 WeakPolarHBondContact O-CD 3.46Å; L47-K135 WeakPolarHBondContact O-CE 3.31Å; L47-K135 PolarHBondContact O-NZ 3.14Å; I49-K135 HydrophobicContact CD1-CD 4.04Å; I49-K135 HydrophobicContact CG1-CD 3.89Å; L60-K135 HydrophobicContact CD1-CB 4Å; L60-K135 HydrophobicContact CD2-CB 3.66Å; L60-K135 HydrophobicContact CD2-CD 4.13Å; G115-K135 CarbonylContact C-O 3.47Å; G115-K135 VanDerWaalsContact CA-O 3.28Å; G115-K135 WeakPolarHBondContact CA-O 3.38Å; V116-K135 PolarHBondContact N-O 3.47Å; V116-K135 PolarHBondContact O-N 3.13Å; K135-C147 PolarHBondContact NZ-SG 3.35Å; K135-C147 VanDerWaalsContact NZ-SG 3.43Å; K135-W148 CarbonylContact C-O 3.56Å; K135-W148 WeakPolarHBondContact CA-O 3.47Å; K135-D149 WeakPolarHBondContact CG-OD1 3.05Å; K135-D149 IonicContact NZ-OD1 3.45Å; K135-D149 PolarHBondContact NZ-OD1 3.12Å; K135-D149 IonicContact NZ-OD2 3.95Å; K135-D149 PolarHBondContact NZ-OD2 3.01Å
136K96.4Very high88.2Confident60 Ų6055.5 Ų55.526%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-120.4108.1171.1178.762.2-175.9-73.10110.1F112 C147 W148F112-K136 HydrophobicContact CB-CB 4.48Å; F112-K136 HydrophobicContact CB-CG 4.45Å; F112-K136 HydrophobicContact CD1-CB 3.73Å; F112-K136 HydrophobicContact CD1-CG 4.17Å; F112-K136 HydrophobicContact CE1-CB 4.45Å; F112-K136 HydrophobicContact CG-CB 4.46Å; F112-K136 PolarHBondContact O-NZ 3.02Å; K136-C147 WeakPolarHBondContact O-CA 3.25Å; K136-W148 HydrophobicContact CB-CB 4.42Å; K136-W148 PolarHBondContact N-O 3.47Å; K136-W148 PolarHBondContact O-N 3.28Å
137A91.9Very high88.3Confident59 Ų5949.4 Ų49.449%0.48828%0.279SS..EExtended strand (participates in β ladder)trans-78.3141163.600000109.6
138G85.1Confident88.3Confident39 Ų3950.5 Ų50.540%0.40228%0.279SS..  trans-63158.2171.100000111.6G140 G146G138-G140 PolarHBondContact O-N 2.98Å; G138-G146 PolarHBondContact N-O 2.8Å
139D74.6Confident88.3Confident152 Ų15250.5 Ų50.581%0.81328%0.279SS*.  trans-610.1-177.264.94.5000115.6S141D139-S141 VanDerWaalsContact C-N 3.35Å; D139-S141 PolarHBondContact O-N 3.01Å; D139-S141 PolarHBondContact OD1-N 3.47Å; D139-S141 VanDerWaalsContact OD1-N 3.17Å
140G60.4Low88.3Confident47 Ų4750.3 Ų50.349%0.48528%0.278SS..  trans73.325.3173.300000113.4G138 K142G138-G140 PolarHBondContact O-N 2.98Å; G140-K142 PolarHBondContact O-N 3.12Å
141S69.9Low88.3Confident52 Ų5250.7 Ų50.736%0.36428%0.279SS..  trans-48.4122.4164.587.50000108.2D139 K143 I144D139-S141 VanDerWaalsContact C-N 3.35Å; D139-S141 PolarHBondContact O-N 3.01Å; D139-S141 PolarHBondContact OD1-N 3.47Å; D139-S141 VanDerWaalsContact OD1-N 3.17Å; S141-K143 PolarHBondContact O-N 3.42Å; S141-I144 CarbonylContact O-C 3.46Å; S141-I144 PolarHBondContact O-N 2.92Å; S141-I144 PolarHBondContact OG-N 2.91Å; S141-I144 PolarHBondContact OG-O 3.28Å
142K65.1Low88.3Confident201 Ų20150.7 Ų50.787%0.87428%0.279SS*.THydrogen-bonded Turntrans-55.2-17.9-168.9-72.4-175.5178.4179.90114G140G140-K142 PolarHBondContact O-N 3.12Å
143K75.9Confident88.2Confident143 Ų14351.9 Ų51.962%0.62229%0.287SS*.THydrogen-bonded Turntrans-98.9-22-176.4-60.8-175.9-178178.80113.8S141 T179 T180S141-K143 PolarHBondContact O-N 3.42Å; K143-T179 CarbonylContact O-C 3.52Å; K143-T179 WeakPolarHBondContact O-CA 3.19Å; K143-T180 PolarHBondContact O-N 2.99Å
144I82.5Confident88.2Confident73 Ų7352 Ų5237%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-135.4109.4-179.5-54.5175.9000108S141 Q178S141-I144 CarbonylContact O-C 3.46Å; S141-I144 PolarHBondContact O-N 2.92Å; S141-I144 PolarHBondContact OG-N 2.91Å; S141-I144 PolarHBondContact OG-O 3.28Å; I144-Q178 CarbonylContact C-O 3.22Å; I144-Q178 WeakPolarHBondContact CA-O 3.47Å
145K88.6Confident88.2Confident112 Ų11255 Ų5549%0.48730%0.301SS..EExtended strand (participates in β ladder)trans-103.5142.3171.4-60.5-177.1178.6-177.40108.3W176 L177 Q178K145-W176 HydrophobicContact CB-CH2 3.61Å; K145-W176 HydrophobicContact CB-CZ3 3.57Å; K145-W176 HydrophobicContact CD-CH2 4.26Å; K145-L177 WeakPolarHBondContact O-CA 3.45Å; K145-Q178 HydrophobicContact CB-CB 4.4Å; K145-Q178 PolarHBondContact N-O 3.31Å; K145-Q178 PolarHBondContact O-N 3.23Å
146G90.1Very high88.2Confident17 Ų1753.5 Ų53.518%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-152.3152.4176.100000111.2G138 W176G138-G146 PolarHBondContact N-O 2.8Å; G146-W176 CarbonylContact C-O 3.59Å; G146-W176 WeakPolarHBondContact CA-O 3.46Å
147C93Very high88.2Confident22 Ų2255 Ų5515%0.14930%0.303CS..EExtended strand (participates in β ladder)trans-140.3135172-167.20000108.6K135 K136 D149 W176K135-C147 PolarHBondContact NZ-SG 3.35Å; K135-C147 VanDerWaalsContact NZ-SG 3.43Å; K136-C147 WeakPolarHBondContact O-CA 3.25Å; C147-D149 PolarHBondContact SG-OD2 2.61Å; C147-W176 HydrophobicContact CB-CE3 4.41Å; C147-W176 PolarHBondContact N-O 2.85Å; C147-W176 PolarHBondContact O-N 3.07Å
148W95.7Very high88.2Confident37 Ų3755.3 Ų55.314%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-114.1127.2170.5-178.7-73000108.3F112 K135 K136 S150 V173 L175 R225 L228F112-W148 AromaticContact CE1-CD1 3.46Å; F112-W148 VanDerWaalsContact CE1-CD1 3.46Å; F112-W148 HydrophobicContact CE1-CD2 4.26Å; F112-W148 AromaticContact CE1-CG 3.86Å; F112-W148 HydrophobicContact CE1-CG 3.86Å; F112-W148 AromaticContact CE1-NE1 3.63Å; F112-W148 AromaticContact CZ-CD1 3.92Å; F112-W148 AromaticContact CZ-NE1 3.66Å; K135-W148 CarbonylContact C-O 3.56Å; K135-W148 WeakPolarHBondContact CA-O 3.47Å; K136-W148 HydrophobicContact CB-CB 4.42Å; K136-W148 PolarHBondContact N-O 3.47Å; K136-W148 PolarHBondContact O-N 3.28Å; W148-S150 PolarHBondContact NE1-OG 2.84Å; W148-V173 HydrophobicContact CD2-CG1 3.98Å; W148-V173 VanDerWaalsContact CE2-CG1 3.46Å; W148-V173 HydrophobicContact CE3-CG1 4.28Å; W148-V173 HydrophobicContact CH2-CG1 3.66Å; W148-V173 HydrophobicContact CZ2-CB 4.3Å; W148-V173 HydrophobicContact CZ2-CG1 3.32Å; W148-V173 HydrophobicContact CZ2-CG2 4Å; W148-V173 HydrophobicContact CZ3-CG1 4.13Å; W148-L175 HydrophobicContact CE3-CD1 4.04Å; W148-R225 HydrophobicContact CH2-CB 4.02Å; W148-R225 HydrophobicContact CH2-CG 4.11Å; W148-L228 HydrophobicContact CH2-CD1 3.91Å; W148-L228 HydrophobicContact CZ3-CD1 4.05Å
149D96.6Very high88.5Confident9 Ų957.8 Ų57.85%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-124.8119.2174.5-62.4-88.9000108.4L47 I134 K135 C147 V173 M174L47-D149 WeakPolarHBondContact CB-OD1 3.25Å; L47-D149 HydrophobicContact CD1-CB 4.17Å; L47-D149 HydrophobicContact CG-CB 4.28Å; L47-D149 PolarHBondContact N-OD1 3.27Å; I134-D149 CarbonylContact O-C 3.52Å; I134-D149 WeakPolarHBondContact O-CA 3.37Å; K135-D149 WeakPolarHBondContact CG-OD1 3.05Å; K135-D149 IonicContact NZ-OD1 3.45Å; K135-D149 PolarHBondContact NZ-OD1 3.12Å; K135-D149 IonicContact NZ-OD2 3.95Å; K135-D149 PolarHBondContact NZ-OD2 3.01Å; C147-D149 PolarHBondContact SG-OD2 2.61Å; D149-V173 CarbonylContact O-C 3.49Å; D149-V173 WeakPolarHBondContact O-CA 3.14Å; D149-M174 HydrophobicContact CB-CB 4.19Å; D149-M174 PolarHBondContact N-O 2.76Å; D149-M174 PolarHBondContact O-N 3.43Å
150S97.7Very high88.9Confident0 Ų057.2 Ų57.20%030%0.302CS..EExtended strand (participates in β ladder)trans-104.3132.8171.5-62.60000110.1L133 I134 W148 H152 E221L133-S150 WeakPolarHBondContact CA-O 3.24Å; I134-S150 PolarHBondContact N-O 3.36Å; I134-S150 PolarHBondContact O-N 2.97Å; W148-S150 PolarHBondContact NE1-OG 2.84Å; S150-H152 WeakPolarHBondContact CB-NE2 3.36Å; S150-E221 VanDerWaalsContact CB-OE1 3.27Å; S150-E221 WeakPolarHBondContact CB-OE1 3.27Å; S150-E221 PolarHBondContact OG-OE1 3.01Å
151I97.9Very high89.9Confident7 Ų758.9 Ų58.94%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-129.4109174.5-54.7174.3000107.5D44 L47 V131 L133 V153 S171 T172 M174D44-I151 HydrophobicContact CB-CD1 3.95Å; L47-I151 HydrophobicContact CD1-CG1 4.24Å; L47-I151 HydrophobicContact CD2-CD1 4.07Å; L47-I151 HydrophobicContact CD2-CG1 4.05Å; L47-I151 HydrophobicContact CG-CD1 4.49Å; L47-I151 HydrophobicContact CG-CG1 4.32Å; V131-I151 HydrophobicContact CG2-CG2 4.11Å; L133-I151 HydrophobicContact CD2-CB 4.32Å; L133-I151 HydrophobicContact CD2-CG1 4.1Å; L133-I151 HydrophobicContact CD2-CG2 4.01Å; I151-V153 HydrophobicContact CG2-CG2 4.31Å; I151-S171 CarbonylContact O-C 3.51Å; I151-S171 WeakPolarHBondContact O-CA 3.27Å; I151-T172 PolarHBondContact N-O 2.88Å; I151-T172 PolarHBondContact O-N 2.83Å; I151-M174 HydrophobicContact CD1-CE 4.02Å
152H98.3Very high90.4Very high0 Ų058.7 Ų58.70%031%0.312CS..EExtended strand (participates in β ladder)trans-115.7103.6179.7-62.1-73.8000109.6V131 I132 S150 L169 S171 V217 E221V131-H152 CarbonylContact C-O 3.57Å; V131-H152 VanDerWaalsContact CA-O 3.26Å; V131-H152 WeakPolarHBondContact CA-O 3.5Å; I132-H152 HydrophobicContact CB-CB 4.08Å; I132-H152 HydrophobicContact CD1-CB 4.18Å; I132-H152 PolarHBondContact N-O 2.91Å; I132-H152 PolarHBondContact O-N 2.78Å; S150-H152 WeakPolarHBondContact CB-NE2 3.36Å; H152-L169 HydrophobicContact CB-CD1 3.9Å; H152-S171 VanDerWaalsContact ND1-CB 3.28Å; H152-S171 WeakPolarHBondContact ND1-CB 3.21Å; H152-S171 PolarHBondContact ND1-OG 2.81Å; H152-V217 HydrophobicContact CB-CG2 4.22Å; H152-E221 IonicContact CD2-OE1 3.9Å; H152-E221 WeakPolarHBondContact CE1-CG 3.44Å; H152-E221 IonicContact CE1-OE1 3.93Å; H152-E221 VanDerWaalsContact NE2-CG 3.32Å; H152-E221 WeakPolarHBondContact NE2-CG 3.46Å; H152-E221 IonicContact NE2-OE1 3.87Å; H152-E221 PolarHBondContact NE2-OE1 3.39Å
153V97.8Very high91.5Very high28 Ų2858.2 Ų58.217%0.1731%0.305CS..EExtended strand (participates in β ladder)trans-93119.6174-176.60000108.3Y64 W122 G130 V131 I151 L169 T170Y64-V153 HydrophobicContact CE2-CG2 3.64Å; W122-V153 HydrophobicContact CH2-CG1 4.3Å; G130-V153 CarbonylContact O-C 3.6Å; G130-V153 WeakPolarHBondContact O-CA 3.39Å; V131-V153 HydrophobicContact CG2-CG2 4.08Å; I151-V153 HydrophobicContact CG2-CG2 4.31Å; V153-L169 WeakPolarHBondContact O-CA 3.45Å; V153-T170 PolarHBondContact N-O 3.48Å; V153-T170 PolarHBondContact O-N 2.84Å
154V98.1Very high92.4Very high1 Ų153.4 Ų53.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-117.3130.6178.464.50000110.6A129 G130 I132 V156 K168 L169 I213A129-V154 CarbonylContact C-O 3.52Å; A129-V154 WeakPolarHBondContact CA-O 3.49Å; A129-V154 VanDerWaalsContact CB-O 3.29Å; A129-V154 WeakPolarHBondContact CB-O 3.34Å; G130-V154 PolarHBondContact N-O 3.38Å; G130-V154 PolarHBondContact O-N 2.85Å; I132-V154 HydrophobicContact CD1-CG1 4.09Å; V154-V156 HydrophobicContact CG2-CG2 4.12Å; V154-K168 CarbonylContact C-O 3.05Å; V154-K168 WeakPolarHBondContact CA-O 3.3Å; V154-L169 HydrophobicContact CB-CD1 4.25Å; V154-I213 HydrophobicContact CG1-CD1 4.27Å; V154-I213 HydrophobicContact CG1-CG1 4.48Å; V154-I213 HydrophobicContact CG1-CG2 4.05Å; V154-I213 HydrophobicContact CG2-CG1 4.27Å
155E98.2Very high93.1Very high64 Ų6449.9 Ų49.930%0.29927%0.27SS..EExtended strand (participates in β ladder)trans-106.5130.2169-173.5-170.5156.700108.4L124 Q157 Y167 K168L124-E155 HydrophobicContact CD1-CG 3.95Å; E155-Q157 PolarHBondContact OE1-NE2 2.88Å; E155-Y167 WeakPolarHBondContact O-CA 3.22Å; E155-K168 HydrophobicContact CB-CB 4.3Å; E155-K168 PolarHBondContact N-O 3.31Å; E155-K168 PolarHBondContact O-N 2.81Å
156V97.9Very high93.5Very high0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-119.3111.2-179.9-173.70000108.6G127 F128 V154 A165 H166 Y167 I213G127-V156 WeakPolarHBondContact CA-O 3.35Å; F128-V156 HydrophobicContact CD1-CB 4.16Å; F128-V156 HydrophobicContact CD1-CG1 4.42Å; F128-V156 HydrophobicContact CD2-CG2 4.4Å; F128-V156 HydrophobicContact CE1-CB 3.9Å; F128-V156 HydrophobicContact CE1-CG1 3.86Å; F128-V156 HydrophobicContact CE1-CG2 4.19Å; F128-V156 HydrophobicContact CE2-CB 4.31Å; F128-V156 HydrophobicContact CE2-CG2 3.85Å; F128-V156 HydrophobicContact CG-CB 4.48Å; F128-V156 HydrophobicContact CZ-CB 3.98Å; F128-V156 HydrophobicContact CZ-CG1 4.15Å; F128-V156 HydrophobicContact CZ-CG2 3.73Å; F128-V156 PolarHBondContact N-O 2.83Å; F128-V156 VanDerWaalsContact N-O 3.1Å; F128-V156 WeakPolarHBondContact O-CA 3.45Å; F128-V156 WeakPolarHBondContact O-CB 3.28Å; F128-V156 PolarHBondContact O-N 3.04Å; V154-V156 HydrophobicContact CG2-CG2 4.12Å; V156-A165 HydrophobicContact CG1-CB 3.88Å; V156-H166 WeakPolarHBondContact CA-O 3.32Å; V156-Y167 HydrophobicContact CG1-CD1 4.18Å; V156-Y167 HydrophobicContact CG1-CE1 3.85Å; V156-Y167 HydrophobicContact CG2-CD1 3.75Å; V156-Y167 HydrophobicContact CG2-CE1 3.92Å; V156-I213 HydrophobicContact CG2-CD1 4.13Å
157Q96.8Very high93.9Very high92 Ų9245.9 Ų45.943%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-97.8109.4173.1-60.6-176.2-1.500109.5H126 E155 A165 H166H126-Q157 WeakPolarHBondContact O-CA 3.49Å; E155-Q157 PolarHBondContact OE1-NE2 2.88Å; Q157-A165 CarbonylContact O-C 3.56Å; Q157-A165 VanDerWaalsContact O-CA 3.28Å; Q157-A165 WeakPolarHBondContact O-CA 3.39Å; Q157-H166 HydrophobicContact CB-CB 4.26Å; Q157-H166 PolarHBondContact N-O 2.92Å; Q157-H166 PolarHBondContact O-N 3.03Å
158E92.6Very high94.1Very high66 Ų6648 Ų4831%0.30826%0.255SS..EExtended strand (participates in β ladder)trans-76.9125.4177.9-66.1-173.6149.600109.6R92 H126 H209R92-E158 IonicContact NH2-OE1 3.05Å; H126-E158 PolarHBondContact O-N 3.36Å; E158-H209 IonicContact OE1-CE1 2.76Å; E158-H209 IonicContact OE1-NE2 2.84Å; E158-H209 PolarHBondContact OE1-NE2 3Å
159K90.6Very high94.2Very high90 Ų9046.3 Ų46.339%0.39125%0.248SC..  trans-74.7154.4174.1-59.4-166.4-172.9174.20109.6S161 G162 T164 D200K159-S161 PolarHBondContact O-N 2.85Å; K159-G162 PolarHBondContact O-N 2.63Å; K159-T164 WeakPolarHBondContact CB-O 3.41Å; K159-T164 WeakPolarHBondContact CD-OG1 3.28Å; K159-T164 PolarHBondContact N-O 2.8Å; K159-T164 VanDerWaalsContact N-O 3.11Å; K159-D200 IonicContact NZ-OD1 3.66Å; K159-D200 IonicContact NZ-OD2 3.79Å; K159-D200 PolarHBondContact NZ-OD2 3.19Å
160S84Confident94.3Very high141 Ų14147.7 Ų47.799%0.98626%0.257SS*.THydrogen-bonded Turntrans-56.6-22.6-172.3-26.50000114.7
161S81.5Confident94.2Very high82 Ų8247.7 Ų47.757%0.57326%0.257SS*.THydrogen-bonded Turntrans-82-11.9177.4660000114.1K159 R163K159-S161 PolarHBondContact O-N 2.85Å; S161-R163 PolarHBondContact O-N 2.98Å; S161-R163 VanDerWaalsContact O-N 3.07Å
162G79.5Confident94.1Very high47 Ų4747.5 Ų47.549%0.48526%0.256SS..SBendtrans66.31.1-177.300000115.3K159K159-G162 PolarHBondContact O-N 2.63Å
163R89Confident94Very high192 Ų19247.5 Ų47.573%0.72526%0.256SS*.SBendtrans-96.4-10.1-176.6-67.6-176.5-179.6-176.8-0.5113.8S161 T202 V203S161-R163 PolarHBondContact O-N 2.98Å; S161-R163 VanDerWaalsContact O-N 3.07Å; R163-T202 CarbonylContact O-C 3.54Å; R163-T202 WeakPolarHBondContact O-CA 3.49Å; R163-V203 PolarHBondContact O-N 2.86Å
164T93.7Very high93.8Very high41 Ų4147 Ų4725%0.25225%0.252SS..EExtended strand (participates in β ladder)trans-143.9146.5179.949.10000109K159 E201 T202K159-T164 WeakPolarHBondContact CB-O 3.41Å; K159-T164 WeakPolarHBondContact CD-OG1 3.28Å; K159-T164 PolarHBondContact N-O 2.8Å; K159-T164 VanDerWaalsContact N-O 3.11Å; T164-E201 WeakPolarHBondContact CA-O 3.39Å; T164-T202 HydrophobicContact CG2-CG2 4.12Å
165A96.8Very high93.5Very high0 Ų048 Ų480%026%0.257CS..EExtended strand (participates in β ladder)trans-137.1147.5174.200000109.7V156 Q157 Y167 E201 V203V156-A165 HydrophobicContact CG1-CB 3.88Å; Q157-A165 CarbonylContact O-C 3.56Å; Q157-A165 VanDerWaalsContact O-CA 3.28Å; Q157-A165 WeakPolarHBondContact O-CA 3.39Å; A165-Y167 HydrophobicContact CB-CD2 4.44Å; A165-Y167 HydrophobicContact CB-CE2 3.67Å; A165-Y167 WeakPolarHBondContact O-CD2 3.39Å; A165-Y167 VanDerWaalsContact O-CE2 3.26Å; A165-Y167 WeakPolarHBondContact O-CE2 3.26Å; A165-E201 PolarHBondContact N-O 2.77Å; A165-E201 PolarHBondContact O-N 3.2Å; A165-V203 HydrophobicContact CB-CG2 3.87Å
166H97.4Very high93Very high44 Ų4448.4 Ų48.420%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-92.8126.7171.1-176.775.2000108.6V156 Q157 E198 D200V156-H166 WeakPolarHBondContact CA-O 3.32Å; Q157-H166 HydrophobicContact CB-CB 4.26Å; Q157-H166 PolarHBondContact N-O 2.92Å; Q157-H166 PolarHBondContact O-N 3.03Å; H166-E198 IonicContact CE1-OE2 3.87Å; H166-E198 IonicContact NE2-OE2 2.81Å; H166-D200 WeakPolarHBondContact CA-OD1 3.43Å; H166-D200 VanDerWaalsContact CB-OD1 3.27Å; H166-D200 WeakPolarHBondContact CB-OD1 3.23Å; H166-D200 IonicContact CE1-OD1 2.92Å; H166-D200 IonicContact CG-OD1 3.73Å; H166-D200 IonicContact ND1-OD1 3.84Å; H166-D200 PolarHBondContact ND1-OD1 3.31Å
167Y98.1Very high92.6Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-112.9125.8-178.9-60.1-99.4000108.8E155 V156 A165 E198 K199 E201 H209 N212 I213 L216E155-Y167 WeakPolarHBondContact O-CA 3.22Å; V156-Y167 HydrophobicContact CG1-CD1 4.18Å; V156-Y167 HydrophobicContact CG1-CE1 3.85Å; V156-Y167 HydrophobicContact CG2-CD1 3.75Å; V156-Y167 HydrophobicContact CG2-CE1 3.92Å; A165-Y167 HydrophobicContact CB-CD2 4.44Å; A165-Y167 HydrophobicContact CB-CE2 3.67Å; A165-Y167 WeakPolarHBondContact O-CD2 3.39Å; A165-Y167 VanDerWaalsContact O-CE2 3.26Å; A165-Y167 WeakPolarHBondContact O-CE2 3.26Å; Y167-E198 CarbonylContact O-C 3.56Å; Y167-E198 VanDerWaalsContact O-CA 3.24Å; Y167-E198 WeakPolarHBondContact O-CA 3.14Å; Y167-K199 WeakPolarHBondContact CD2-O 3.48Å; Y167-K199 PolarHBondContact N-O 3.32Å; Y167-K199 PolarHBondContact O-N 2.66Å; Y167-E201 HydrophobicContact CD2-CB 4.14Å; Y167-E201 HydrophobicContact CE2-CB 3.72Å; Y167-H209 AromaticContact CZ-ND1 3.79Å; Y167-H209 PolarHBondContact OH-ND1 3.19Å; Y167-N212 HydrophobicContact CE1-CB 3.94Å; Y167-N212 HydrophobicContact CE2-CB 4.26Å; Y167-N212 PolarHBondContact OH-ND2 3.08Å; Y167-I213 HydrophobicContact CD1-CG1 3.9Å; Y167-I213 HydrophobicContact CE1-CD1 4.48Å; Y167-I213 HydrophobicContact CE1-CG1 3.86Å; Y167-L216 VanDerWaalsContact CB-CD1 3.48Å; Y167-L216 HydrophobicContact CD1-CD1 4.22Å; Y167-L216 HydrophobicContact CG-CD1 3.89Å
168K98.3Very high92.3Very high68 Ų6848.6 Ų48.630%0.29626%0.258SS..EExtended strand (participates in β ladder)trans-117.4111.2172.1178.5175.4-173.9177.50109V154 E155 E198V154-K168 CarbonylContact C-O 3.05Å; V154-K168 WeakPolarHBondContact CA-O 3.3Å; E155-K168 HydrophobicContact CB-CB 4.3Å; E155-K168 PolarHBondContact N-O 3.31Å; E155-K168 PolarHBondContact O-N 2.81Å; K168-E198 HydrophobicContact CB-CG 3.93Å; K168-E198 HydrophobicContact CD-CG 4.29Å; K168-E198 WeakPolarHBondContact CD-OE1 3.24Å; K168-E198 VanDerWaalsContact CE-OE1 3.25Å; K168-E198 WeakPolarHBondContact CE-OE1 3.38Å; K168-E198 HydrophobicContact CG-CG 3.74Å; K168-E198 IonicContact NZ-OE1 3.71Å
169L98.2Very high92.1Very high1 Ų146.8 Ų46.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-107119.5-178.7173.465.1000109.8H152 V153 V154 S171 Q196 M197 L216 V217 M220H152-L169 HydrophobicContact CB-CD1 3.9Å; V153-L169 WeakPolarHBondContact O-CA 3.45Å; V154-L169 HydrophobicContact CB-CD1 4.25Å; L169-S171 WeakPolarHBondContact CD1-OG 3.43Å; L169-S171 WeakPolarHBondContact CG-OG 3.48Å; L169-Q196 CarbonylContact O-C 3.59Å; L169-Q196 VanDerWaalsContact O-CA 3.3Å; L169-Q196 WeakPolarHBondContact O-CA 3.32Å; L169-M197 HydrophobicContact CB-CG 3.84Å; L169-M197 HydrophobicContact CD2-CG 4.16Å; L169-M197 HydrophobicContact CD2-SD 3.99Å; L169-M197 HydrophobicContact CG-CG 4.36Å; L169-M197 PolarHBondContact N-O 2.9Å; L169-M197 PolarHBondContact O-N 2.92Å; L169-L216 HydrophobicContact CD2-CB 3.9Å; L169-V217 HydrophobicContact CD1-CG2 4.3Å; L169-V217 HydrophobicContact CD2-CG2 4.23Å; L169-M220 HydrophobicContact CD2-CB 3.94Å; L169-M220 HydrophobicContact CD2-CG 4.32Å
170T97.1Very high91.9Very high37 Ų3745.4 Ų45.423%0.22725%0.251CS..EExtended strand (participates in β ladder)trans-106.1119.2167.4-56.40000108.2V153 T194 Q196V153-T170 PolarHBondContact N-O 3.48Å; V153-T170 PolarHBondContact O-N 2.84Å; T170-T194 HydrophobicContact CG2-CG2 4.05Å; T170-Q196 HydrophobicContact CG2-CG 3.85Å; T170-Q196 PolarHBondContact OG1-NE2 2.63Å
171S97.1Very high92.2Very high0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-121.5121.2-175.7-600000110.5I151 H152 L169 T194 R195 M220I151-S171 CarbonylContact O-C 3.51Å; I151-S171 WeakPolarHBondContact O-CA 3.27Å; H152-S171 VanDerWaalsContact ND1-CB 3.28Å; H152-S171 WeakPolarHBondContact ND1-CB 3.21Å; H152-S171 PolarHBondContact ND1-OG 2.81Å; L169-S171 WeakPolarHBondContact CD1-OG 3.43Å; L169-S171 WeakPolarHBondContact CG-OG 3.48Å; S171-T194 CarbonylContact O-C 3.6Å; S171-T194 VanDerWaalsContact O-CA 3.26Å; S171-T194 WeakPolarHBondContact O-CA 3.44Å; S171-R195 PolarHBondContact N-O 3.32Å; S171-R195 PolarHBondContact O-N 2.82Å; S171-M220 WeakPolarHBondContact OG-CG 3.5Å
172T95.6Very high92.5Very high4 Ų447.2 Ų47.23%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-109.6128.2169.1-62.30000108.6D44 I151 M174 L193 T194D44-T172 HydrophobicContact CB-CG2 4.3Å; D44-T172 WeakPolarHBondContact OD2-CB 3.36Å; D44-T172 VanDerWaalsContact OD2-CG2 3.3Å; D44-T172 WeakPolarHBondContact OD2-CG2 3.26Å; D44-T172 PolarHBondContact OD2-OG1 2.8Å; I151-T172 PolarHBondContact N-O 2.88Å; I151-T172 PolarHBondContact O-N 2.83Å; T172-M174 HydrophobicContact CG2-CE 4.35Å; T172-M174 HydrophobicContact CG2-CG 4.33Å; T172-L193 WeakPolarHBondContact CA-O 3.35Å; T172-T194 WeakPolarHBondContact OG1-CG2 3.28Å; T172-T194 PolarHBondContact OG1-OG1 2.85Å
173V95.9Very high93Very high0 Ų049 Ų490%026%0.262CS..EExtended strand (participates in β ladder)trans-114.3126.7167173.50000108.5W148 D149 S192 L193 I224 L228W148-V173 HydrophobicContact CD2-CG1 3.98Å; W148-V173 VanDerWaalsContact CE2-CG1 3.46Å; W148-V173 HydrophobicContact CE3-CG1 4.28Å; W148-V173 HydrophobicContact CH2-CG1 3.66Å; W148-V173 HydrophobicContact CZ2-CB 4.3Å; W148-V173 HydrophobicContact CZ2-CG1 3.32Å; W148-V173 HydrophobicContact CZ2-CG2 4Å; W148-V173 HydrophobicContact CZ3-CG1 4.13Å; D149-V173 CarbonylContact O-C 3.49Å; D149-V173 WeakPolarHBondContact O-CA 3.14Å; V173-S192 CarbonylContact O-C 3.48Å; V173-S192 WeakPolarHBondContact O-CA 3.31Å; V173-L193 PolarHBondContact N-O 3.04Å; V173-L193 PolarHBondContact O-N 2.98Å; V173-I224 HydrophobicContact CB-CG2 3.6Å; V173-I224 HydrophobicContact CG1-CG2 4.3Å; V173-I224 HydrophobicContact CG2-CB 4.34Å; V173-I224 HydrophobicContact CG2-CD1 4.17Å; V173-I224 HydrophobicContact CG2-CG2 3.51Å; V173-L228 HydrophobicContact CB-CD1 4.12Å; V173-L228 HydrophobicContact CG1-CD1 3.58Å
174M93Very high92.9Very high18 Ų1843.2 Ų43.29%0.08925%0.251CS..EExtended strand (participates in β ladder)trans-102.4130.7168.5-46.6-176.7-17600109.4D44 P46 D149 I151 T172D44-M174 HydrophobicContact CB-CE 3.16Å; D44-M174 VanDerWaalsContact O-CE 3.26Å; D44-M174 WeakPolarHBondContact O-CE 3.37Å; P46-M174 HydrophobicContact CG-SD 4.46Å; D149-M174 HydrophobicContact CB-CB 4.19Å; D149-M174 PolarHBondContact N-O 2.76Å; D149-M174 PolarHBondContact O-N 3.43Å; I151-M174 HydrophobicContact CD1-CE 4.02Å; T172-M174 HydrophobicContact CG2-CE 4.35Å; T172-M174 HydrophobicContact CG2-CG 4.33Å
175L92.4Very high92.8Very high20 Ų2043 Ų4311%0.10526%0.258CS..EExtended strand (participates in β ladder)trans-123.9128.8175177.558.5000108.2W148 L177 G190 G191 Y232W148-L175 HydrophobicContact CE3-CD1 4.04Å; L175-L177 HydrophobicContact CD1-CD1 4.27Å; L175-L177 HydrophobicContact CD1-CD2 4.31Å; L175-L177 HydrophobicContact CD1-CG 3.96Å; L175-L177 HydrophobicContact CD2-CD1 4.02Å; L175-L177 HydrophobicContact CG-CD1 4.18Å; L175-L177 HydrophobicContact CG-CG 4.17Å; L175-G190 VanDerWaalsContact O-CA 3.25Å; L175-G190 WeakPolarHBondContact O-CA 3.37Å; L175-G191 PolarHBondContact N-O 3.5Å; L175-G191 PolarHBondContact O-N 3.26Å; L175-G191 VanDerWaalsContact O-N 3.12Å; L175-Y232 HydrophobicContact CD2-CD1 4.34Å; L175-Y232 HydrophobicContact CD2-CE1 4.32Å; L175-Y232 HydrophobicContact CG-CE1 4.38Å; L175-Y232 PolarHBondContact O-OH 2.79Å
176W88.2Confident92.5Very high74 Ų7447.1 Ų47.128%0.2828%0.282SS..EExtended strand (participates in β ladder)trans-126.9133.9168.7174.186.6000109.8K145 G146 C147 Q178 L189K145-W176 HydrophobicContact CB-CH2 3.61Å; K145-W176 HydrophobicContact CB-CZ3 3.57Å; K145-W176 HydrophobicContact CD-CH2 4.26Å; G146-W176 CarbonylContact C-O 3.59Å; G146-W176 WeakPolarHBondContact CA-O 3.46Å; C147-W176 HydrophobicContact CB-CE3 4.41Å; C147-W176 PolarHBondContact N-O 2.85Å; C147-W176 PolarHBondContact O-N 3.07Å; W176-Q178 HydrophobicContact CH2-CB 3.54Å; W176-Q178 HydrophobicContact CH2-CG 4.49Å; W176-Q178 HydrophobicContact CZ2-CB 3.32Å; W176-Q178 HydrophobicContact CZ2-CG 4.26Å; W176-Q178 HydrophobicContact CZ3-CB 4.35Å; W176-L189 CarbonylContact C-O 3.46Å
177L89.6Confident92.1Very high46 Ų4648.9 Ų48.924%0.24129%0.292CS..EExtended strand (participates in β ladder)trans-137.4125.8-179.6-68.4167.7000108.7K145 L175 N188 L189 F233K145-L177 WeakPolarHBondContact O-CA 3.45Å; L175-L177 HydrophobicContact CD1-CD1 4.27Å; L175-L177 HydrophobicContact CD1-CD2 4.31Å; L175-L177 HydrophobicContact CD1-CG 3.96Å; L175-L177 HydrophobicContact CD2-CD1 4.02Å; L175-L177 HydrophobicContact CG-CD1 4.18Å; L175-L177 HydrophobicContact CG-CG 4.17Å; L177-N188 WeakPolarHBondContact O-CA 3.36Å; L177-L189 HydrophobicContact CB-CB 4.31Å; L177-L189 PolarHBondContact N-O 3.14Å; L177-L189 PolarHBondContact O-N 3.4Å; L177-L189 VanDerWaalsContact O-O 3.09Å; L177-F233 HydrophobicContact CD1-CE1 4.36Å; L177-F233 HydrophobicContact CD1-CZ 3.7Å
178Q89.5Confident91.7Very high50 Ų5053 Ų5323%0.23431%0.314CS..EExtended strand (participates in β ladder)trans-122.7122.9172.2170.9171.314.900109.2I144 K145 W176 T186 M187 N188I144-Q178 CarbonylContact C-O 3.22Å; I144-Q178 WeakPolarHBondContact CA-O 3.47Å; K145-Q178 HydrophobicContact CB-CB 4.4Å; K145-Q178 PolarHBondContact N-O 3.31Å; K145-Q178 PolarHBondContact O-N 3.23Å; W176-Q178 HydrophobicContact CH2-CB 3.54Å; W176-Q178 HydrophobicContact CH2-CG 4.49Å; W176-Q178 HydrophobicContact CZ2-CB 3.32Å; W176-Q178 HydrophobicContact CZ2-CG 4.26Å; W176-Q178 HydrophobicContact CZ3-CB 4.35Å; Q178-T186 HydrophobicContact CG-CG2 4.44Å; Q178-M187 WeakPolarHBondContact CA-O 3.47Å; Q178-N188 VanDerWaalsContact CB-OD1 3.25Å; Q178-N188 WeakPolarHBondContact CB-OD1 3.47Å; Q178-N188 VanDerWaalsContact CD-OD1 3.32Å; Q178-N188 WeakPolarHBondContact CG-OD1 3.25Å
179T88.4Confident91.2Very high28 Ų2851 Ų5117%0.17231%0.306CS..EExtended strand (participates in β ladder)trans-118131.2173.1176.60000110K143 T186 M187K143-T179 CarbonylContact O-C 3.52Å; K143-T179 WeakPolarHBondContact O-CA 3.19Å; T179-T186 WeakPolarHBondContact O-CA 3.39Å; T179-M187 HydrophobicContact CG2-CB 3.73Å; T179-M187 HydrophobicContact CG2-CG 4.41Å; T179-M187 HydrophobicContact CG2-SD 4.34Å; T179-M187 PolarHBondContact N-O 2.85Å; T179-M187 PolarHBondContact O-N 2.78Å
180T87.6Confident90.7Very high60 Ų6052.1 Ų52.137%0.36832%0.318SS..EExtended strand (participates in β ladder)trans-122.9106.7173.2-60.60000108.6K143 G185 T186K143-T180 PolarHBondContact O-N 2.99Å; T180-G185 WeakPolarHBondContact CA-O 3.45Å; T180-T186 PolarHBondContact OG1-OG1 2.82Å
181K89.2Confident90.2Very high106 Ų10651.3 Ų51.346%0.46132%0.317SS..EExtended strand (participates in β ladder)trans-133.2147.9178.6-63.3-179.7-177.4178.20109.7G183 S184 G185K181-G183 PolarHBondContact O-N 3.42Å; K181-S184 PolarHBondContact O-N 3.08Å; K181-G185 PolarHBondContact N-O 2.79Å; K181-G185 WeakPolarHBondContact O-CA 3.34Å; K181-G185 PolarHBondContact O-N 3.34Å
182T87.6Confident89.9Confident155 Ų15554.8 Ų54.895%0.95134%0.341SS*.THydrogen-bonded Turntrans-56.8-35.9-176.2-36.10000113.1
183G89.8Confident89.7Confident84 Ų8456.2 Ų56.287%0.86635%0.349SS*.THydrogen-bonded Turntrans-81.3-32.4-178.500000115.2K181K181-G183 PolarHBondContact O-N 3.42Å
184S87.6Confident89.6Confident71 Ų7159.6 Ų59.650%0.49737%0.369SS..THydrogen-bonded Turntrans-102.9-4.2-176.662.40000113.7K181K181-S184 PolarHBondContact O-N 3.08Å
185G91.7Very high89.6Confident38 Ų3863.5 Ų63.539%0.39238%0.383SS..EExtended strand (participates in β ladder)trans64-147.6-16700000111.9T180 K181T180-G185 WeakPolarHBondContact CA-O 3.45Å; K181-G185 PolarHBondContact N-O 2.79Å; K181-G185 WeakPolarHBondContact O-CA 3.34Å; K181-G185 PolarHBondContact O-N 3.34Å
186T89.9Confident89.8Confident85 Ų8568.6 Ų68.652%0.52141%0.406SS..EExtended strand (participates in β ladder)trans-98.1122.9173.3-61.40000109.6Q178 T179 T180Q178-T186 HydrophobicContact CG-CG2 4.44Å; T179-T186 WeakPolarHBondContact O-CA 3.39Å; T180-T186 PolarHBondContact OG1-OG1 2.82Å
187M89.3Confident90.1Very high82 Ų8266.9 Ų66.940%0.40440%0.402SS..EExtended strand (participates in β ladder)trans-120.2126.8175.7179.8-171.6-17500108.5Q178 T179 L189Q178-M187 WeakPolarHBondContact CA-O 3.47Å; T179-M187 HydrophobicContact CG2-CB 3.73Å; T179-M187 HydrophobicContact CG2-CG 4.41Å; T179-M187 HydrophobicContact CG2-SD 4.34Å; T179-M187 PolarHBondContact N-O 2.85Å; T179-M187 PolarHBondContact O-N 2.78Å; M187-L189 HydrophobicContact CE-CD1 3.57Å; M187-L189 HydrophobicContact CE-CD2 3.93Å; M187-L189 HydrophobicContact CE-CG 3.75Å; M187-L189 HydrophobicContact SD-CD1 4.39Å
188N89Confident90.4Very high85 Ų8570 Ų7046%0.45542%0.415SS..EExtended strand (participates in β ladder)trans-114.4119.9176.1-68.6-36.4000108.5L177 Q178L177-N188 WeakPolarHBondContact O-CA 3.36Å; Q178-N188 VanDerWaalsContact CB-OD1 3.25Å; Q178-N188 WeakPolarHBondContact CB-OD1 3.47Å; Q178-N188 VanDerWaalsContact CD-OD1 3.32Å; Q178-N188 WeakPolarHBondContact CG-OD1 3.25Å
189L87.6Confident90.8Very high27 Ų2771.6 Ų71.614%0.14142%0.421CS..EExtended strand (participates in β ladder)trans-113.6124.1171.2-74.5162.5000107W176 L177 M187 Y232 F233 T236W176-L189 CarbonylContact C-O 3.46Å; L177-L189 HydrophobicContact CB-CB 4.31Å; L177-L189 PolarHBondContact N-O 3.14Å; L177-L189 PolarHBondContact O-N 3.4Å; L177-L189 VanDerWaalsContact O-O 3.09Å; M187-L189 HydrophobicContact CE-CD1 3.57Å; M187-L189 HydrophobicContact CE-CD2 3.93Å; M187-L189 HydrophobicContact CE-CG 3.75Å; M187-L189 HydrophobicContact SD-CD1 4.39Å; L189-Y232 HydrophobicContact CB-CD1 3.9Å; L189-Y232 HydrophobicContact CB-CE1 4.11Å; L189-Y232 HydrophobicContact CD2-CD1 4.42Å; L189-F233 HydrophobicContact CD1-CE1 4.18Å; L189-T236 HydrophobicContact CD2-CG2 4.07Å
190G88.1Confident91.2Very high25 Ų2574.4 Ų74.426%0.25844%0.435SS..EExtended strand (participates in β ladder)trans-157.3158.117600000112P18 L175 Y232P18-G190 WeakPolarHBondContact CG-O 3.49Å; L175-G190 VanDerWaalsContact O-CA 3.25Å; L175-G190 WeakPolarHBondContact O-CA 3.37Å; G190-Y232 VanDerWaalsContact C-OH 3.23Å
191G87Confident91.6Very high19 Ų1973 Ų7320%0.19642%0.424CS..EExtended strand (participates in β ladder)trans157.2-176.9-176.700000111.3L175 Y232L175-G191 PolarHBondContact N-O 3.5Å; L175-G191 PolarHBondContact O-N 3.26Å; L175-G191 VanDerWaalsContact O-N 3.12Å; G191-Y232 WeakPolarHBondContact CA-OH 3.48Å; G191-Y232 PolarHBondContact N-OH 2.93Å; G191-Y232 PolarHBondContact O-OH 3.01Å; G191-Y232 VanDerWaalsContact O-OH 3.07Å
192S90.1Very high91.9Very high73 Ų7372.1 Ų72.151%0.5143%0.428SS..EExtended strand (participates in β ladder)trans-133.7156.9-178.757.30000110.8V173V173-S192 CarbonylContact O-C 3.48Å; V173-S192 WeakPolarHBondContact O-CA 3.31Å
193L91.9Very high92.2Very high35 Ų3566.1 Ų66.118%0.18339%0.391CS..EExtended strand (participates in β ladder)trans-132.4123.2169.8-179.163.9000108.8T172 V173 I224 T227 L228T172-L193 WeakPolarHBondContact CA-O 3.35Å; V173-L193 PolarHBondContact N-O 3.04Å; V173-L193 PolarHBondContact O-N 2.98Å; L193-I224 HydrophobicContact CB-CG2 4.47Å; L193-I224 HydrophobicContact CD2-CG2 4.2Å; L193-T227 HydrophobicContact CD2-CG2 3.54Å; L193-L228 HydrophobicContact CB-CD2 3.87Å; L193-L228 HydrophobicContact CB-CG 4.37Å; L193-L228 HydrophobicContact CD2-CG 4.42Å
194T93Very high92.3Very high70 Ų7063.9 Ų63.943%0.42937%0.368SS..EExtended strand (participates in β ladder)trans-107.3134.3175.4-530000110T170 S171 T172T170-T194 HydrophobicContact CG2-CG2 4.05Å; S171-T194 CarbonylContact O-C 3.6Å; S171-T194 VanDerWaalsContact O-CA 3.26Å; S171-T194 WeakPolarHBondContact O-CA 3.44Å; T172-T194 WeakPolarHBondContact OG1-CG2 3.28Å; T172-T194 PolarHBondContact OG1-OG1 2.85Å
195R94.4Very high92.2Very high100 Ų10070 Ų7038%0.37739%0.389SS..EExtended strand (participates in β ladder)trans-136.2151.2173.3-74.1-164.9170-162.61.3110.8S171 M220 I224 T227S171-R195 PolarHBondContact N-O 3.32Å; S171-R195 PolarHBondContact O-N 2.82Å; R195-M220 HydrophobicContact CB-CE 4.02Å; R195-M220 HydrophobicContact CB-SD 3.6Å; R195-M220 HydrophobicContact CG-SD 4.48Å; R195-I224 HydrophobicContact CB-CD1 4.3Å; R195-I224 HydrophobicContact CB-CG1 4.4Å; R195-I224 HydrophobicContact CG-CG1 4.31Å; R195-T227 PolarHBondContact NH2-OG1 3.38Å
196Q95.3Very high92Very high127 Ų12774.1 Ų74.159%0.59341%0.412SS*.EExtended strand (participates in β ladder)trans-118.5147.3174.8-71.3-178.6-1400110.4L169 T170L169-Q196 CarbonylContact O-C 3.59Å; L169-Q196 VanDerWaalsContact O-CA 3.3Å; L169-Q196 WeakPolarHBondContact O-CA 3.32Å; T170-Q196 HydrophobicContact CG2-CG 3.85Å; T170-Q196 PolarHBondContact OG1-NE2 2.63Å
197M95.1Very high92Very high38 Ų3871.1 Ų71.119%0.18739%0.394CS..EExtended strand (participates in β ladder)trans-144.9147.7167.668.2-179.5-54.100110.7L169 L216 M220L169-M197 HydrophobicContact CB-CG 3.84Å; L169-M197 HydrophobicContact CD2-CG 4.16Å; L169-M197 HydrophobicContact CD2-SD 3.99Å; L169-M197 HydrophobicContact CG-CG 4.36Å; L169-M197 PolarHBondContact N-O 2.9Å; L169-M197 PolarHBondContact O-N 2.92Å; M197-L216 HydrophobicContact CE-CD2 3.46Å; M197-L216 VanDerWaalsContact CE-CD2 3.46Å; M197-L216 HydrophobicContact SD-CB 4.27Å; M197-L216 HydrophobicContact SD-CD2 3.96Å; M197-M220 HydrophobicContact CB-CE 3.58Å; M197-M220 HydrophobicContact CG-CE 3.52Å; M197-M220 HydrophobicContact SD-CB 4.14Å; M197-M220 HydrophobicContact SD-CE 3.62Å
198E97.3Very high92.3Very high111 Ų11170.1 Ų70.152%0.51939%0.394SS..EExtended strand (participates in β ladder)trans-125.6141.9175.9-71.3177.3-169.300109.5H166 Y167 K168H166-E198 IonicContact CE1-OE2 3.87Å; H166-E198 IonicContact NE2-OE2 2.81Å; Y167-E198 CarbonylContact O-C 3.56Å; Y167-E198 VanDerWaalsContact O-CA 3.24Å; Y167-E198 WeakPolarHBondContact O-CA 3.14Å; K168-E198 HydrophobicContact CB-CG 3.93Å; K168-E198 HydrophobicContact CD-CG 4.29Å; K168-E198 WeakPolarHBondContact CD-OE1 3.24Å; K168-E198 VanDerWaalsContact CE-OE1 3.25Å; K168-E198 WeakPolarHBondContact CE-OE1 3.38Å; K168-E198 HydrophobicContact CG-CG 3.74Å; K168-E198 IonicContact NZ-OE1 3.71Å
199K96.4Very high92.6Very high85 Ų8567.1 Ų67.137%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-155137-179.9-157.9179.3-171.4-167.60111.9Y167 E201 L216Y167-K199 WeakPolarHBondContact CD2-O 3.48Å; Y167-K199 PolarHBondContact N-O 3.32Å; Y167-K199 PolarHBondContact O-N 2.66Å; K199-E201 HydrophobicContact CD-CG 4.09Å; K199-E201 WeakPolarHBondContact CD-OE1 3.43Å; K199-E201 WeakPolarHBondContact CE-OE1 3.09Å; K199-E201 HydrophobicContact CG-CG 4.32Å; K199-E201 IonicContact NZ-OE1 3.11Å; K199-E201 PolarHBondContact NZ-OE1 2.85Å; K199-L216 HydrophobicContact CB-CD2 3.97Å; K199-L216 HydrophobicContact CD-CD2 3.77Å
200D96.4Very high93.1Very high86 Ų8667.1 Ų67.146%0.4638%0.377SS..EExtended strand (participates in β ladder)trans-89.4127.8165.7-81-5.6000109.6K159 H166K159-D200 IonicContact NZ-OD1 3.66Å; K159-D200 IonicContact NZ-OD2 3.79Å; K159-D200 PolarHBondContact NZ-OD2 3.19Å; H166-D200 WeakPolarHBondContact CA-OD1 3.43Å; H166-D200 VanDerWaalsContact CB-OD1 3.27Å; H166-D200 WeakPolarHBondContact CB-OD1 3.23Å; H166-D200 IonicContact CE1-OD1 2.92Å; H166-D200 IonicContact CG-OD1 3.73Å; H166-D200 IonicContact ND1-OD1 3.84Å; H166-D200 PolarHBondContact ND1-OD1 3.31Å
201E96.2Very high93.6Very high30 Ų3067.9 Ų67.914%0.1438%0.381CS..EExtended strand (participates in β ladder)trans-130.8151.8176-74.1-81.3170.800110.8T164 A165 Y167 K199 N212 R215T164-E201 WeakPolarHBondContact CA-O 3.39Å; A165-E201 PolarHBondContact N-O 2.77Å; A165-E201 PolarHBondContact O-N 3.2Å; Y167-E201 HydrophobicContact CD2-CB 4.14Å; Y167-E201 HydrophobicContact CE2-CB 3.72Å; K199-E201 HydrophobicContact CD-CG 4.09Å; K199-E201 WeakPolarHBondContact CD-OE1 3.43Å; K199-E201 WeakPolarHBondContact CE-OE1 3.09Å; K199-E201 HydrophobicContact CG-CG 4.32Å; K199-E201 IonicContact NZ-OE1 3.11Å; K199-E201 PolarHBondContact NZ-OE1 2.85Å; E201-N212 HydrophobicContact CB-CB 4.49Å; E201-R215 IonicContact OE1-NH1 2.65Å; E201-R215 IonicContact OE2-CZ 2.66Å; E201-R215 IonicContact OE2-NH1 3.62Å; E201-R215 IonicContact OE2-NH2 3.31Å; E201-R215 PolarHBondContact OE2-NH2 3.02Å; E201-R215 VanDerWaalsContact OE2-NH2 3.11Å
202T95.3Very high94.1Very high89 Ų8967 Ų6755%0.54637%0.372SS..EExtended strand (participates in β ladder)trans-74.1148.1171.853.80000110.4R163 T164 N212R163-T202 CarbonylContact O-C 3.54Å; R163-T202 WeakPolarHBondContact O-CA 3.49Å; T164-T202 HydrophobicContact CG2-CG2 4.12Å; T202-N212 PolarHBondContact O-ND2 3.44Å
203V95.1Very high94.4Very high29 Ų2964 Ų6418%0.17635%0.35CS..  trans-119.3123.5179.6-176.90000107.6R163 A165 H209R163-V203 PolarHBondContact O-N 2.86Å; A165-V203 HydrophobicContact CB-CG2 3.87Å; V203-H209 WeakPolarHBondContact CG1-NE2 3.32Å; V203-H209 VanDerWaalsContact CG2-CE1 3.48Å; V203-H209 WeakPolarHBondContact CG2-CE1 3.27Å
204G91.1Very high94.7Very high37 Ų3763 Ų6338%0.38135%0.349SS..BIsolated β-bridgetrans-164.8179.9179.600000111.5S206 S207G204-S206 VanDerWaalsContact C-N 3.28Å; G204-S206 PolarHBondContact O-N 2.84Å; G204-S207 PolarHBondContact N-O 3.38Å; G204-S207 CarbonylContact O-C 3.57Å; G204-S207 PolarHBondContact O-N 2.66Å
205E85.9Confident95Very high199 Ų19964.6 Ų64.693%0.9335%0.347SS*.THydrogen-bonded Turntrans-61.9-36-177-167.5174.8-171.500112.7
206S86.9Confident95.1Very high124 Ų12460 Ų6087%0.86733%0.33SS*.THydrogen-bonded Turntrans-79.3-15.2175.655.70000114.2G204G204-S206 VanDerWaalsContact C-N 3.28Å; G204-S206 PolarHBondContact O-N 2.84Å
207S90.6Very high95.2Very high22 Ų2254 Ų5415%0.15430%0.301CS..BIsolated β-bridgetrans-142.472.4-178-156.80000109.9G204 N212 R215G204-S207 PolarHBondContact N-O 3.38Å; G204-S207 CarbonylContact O-C 3.57Å; G204-S207 PolarHBondContact O-N 2.66Å; S207-N212 PolarHBondContact OG-OD1 3.15Å; S207-R215 PolarHBondContact OG-NH2 2.83Å
208P95.3Very high95.4Very high61 Ų6155.5 Ų55.540%0.39631%0.308SS..  trans-69.3163.6178.829.5-35.7000111.1I210 A211 N212P208-I210 VanDerWaalsContact C-N 3.27Å; P208-I210 PolarHBondContact O-N 3.42Å; P208-A211 HydrophobicContact CG-CB 3.96Å; P208-A211 WeakPolarHBondContact O-CB 3.3Å; P208-A211 PolarHBondContact O-N 2.93Å; P208-N212 PolarHBondContact O-N 3.48Å; P208-N212 VanDerWaalsContact O-N 3.08Å
209H96.7Very high95.4Very high23 Ų2353.8 Ų53.811%0.10630%0.303CS..Hα-helixtrans-52-43.4-179.7-70.6-71.2000113.3F128 E158 Y167 V203 A211 N212 I213F128-H209 HydrophobicContact CE1-CB 4.46Å; F128-H209 HydrophobicContact CZ-CB 4.01Å; E158-H209 IonicContact OE1-CE1 2.76Å; E158-H209 IonicContact OE1-NE2 2.84Å; E158-H209 PolarHBondContact OE1-NE2 3Å; Y167-H209 AromaticContact CZ-ND1 3.79Å; Y167-H209 PolarHBondContact OH-ND1 3.19Å; V203-H209 WeakPolarHBondContact CG1-NE2 3.32Å; V203-H209 VanDerWaalsContact CG2-CE1 3.48Å; V203-H209 WeakPolarHBondContact CG2-CE1 3.27Å; H209-A211 VanDerWaalsContact C-N 3.29Å; H209-A211 PolarHBondContact O-N 2.78Å; H209-N212 WeakPolarHBondContact O-CB 3.22Å; H209-N212 PolarHBondContact O-N 3.38Å; H209-N212 VanDerWaalsContact O-N 3.16Å; H209-I213 VanDerWaalsContact O-CG1 3.24Å; H209-I213 WeakPolarHBondContact O-CG1 3.38Å; H209-I213 PolarHBondContact O-N 2.65Å
210I97.4Very high95.4Very high26 Ų2650.1 Ų50.113%0.13329%0.287CS..Hα-helixtrans-60.5-40.1179.7-63.4166.9000111L96 E99 A100 A103 P208 I213 G214L96-I210 HydrophobicContact CD1-CD1 3.58Å; L96-I210 HydrophobicContact CD1-CG1 3.82Å; L96-I210 HydrophobicContact CG-CD1 4.13Å; L96-I210 HydrophobicContact CG-CG1 4.24Å; E99-I210 HydrophobicContact CB-CD1 3.55Å; A100-I210 HydrophobicContact CB-CD1 4.04Å; A100-I210 HydrophobicContact CB-CG1 4.1Å; A103-I210 HydrophobicContact CB-CG2 3.83Å; P208-I210 VanDerWaalsContact C-N 3.27Å; P208-I210 PolarHBondContact O-N 3.42Å; I210-I213 PolarHBondContact O-N 3.49Å; I210-G214 PolarHBondContact O-N 3.31Å
211A97.3Very high95.4Very high42 Ų4246.5 Ų46.535%0.34727%0.267SS..Hα-helixtrans-68.6-38.6177.500000111.8P208 H209 G214 R215P208-A211 HydrophobicContact CG-CB 3.96Å; P208-A211 WeakPolarHBondContact O-CB 3.3Å; P208-A211 PolarHBondContact O-N 2.93Å; H209-A211 VanDerWaalsContact C-N 3.29Å; H209-A211 PolarHBondContact O-N 2.78Å; A211-G214 PolarHBondContact O-N 2.86Å; A211-R215 WeakPolarHBondContact O-CG 3.47Å; A211-R215 PolarHBondContact O-N 2.82Å
212N97.6Very high95.4Very high1 Ų147.5 Ų47.51%0.00527%0.273CS..Hα-helixtrans-62.9-47.3174.9-67.3-13.6000111.2Y167 E201 T202 S207 P208 H209 R215 L216Y167-N212 HydrophobicContact CE1-CB 3.94Å; Y167-N212 HydrophobicContact CE2-CB 4.26Å; Y167-N212 PolarHBondContact OH-ND2 3.08Å; E201-N212 HydrophobicContact CB-CB 4.49Å; T202-N212 PolarHBondContact O-ND2 3.44Å; S207-N212 PolarHBondContact OG-OD1 3.15Å; P208-N212 PolarHBondContact O-N 3.48Å; P208-N212 VanDerWaalsContact O-N 3.08Å; H209-N212 WeakPolarHBondContact O-CB 3.22Å; H209-N212 PolarHBondContact O-N 3.38Å; H209-N212 VanDerWaalsContact O-N 3.16Å; N212-R215 PolarHBondContact O-N 2.9Å; N212-R215 PolarHBondContact OD1-NH2 3.43Å; N212-L216 WeakPolarHBondContact O-CG 3.1Å; N212-L216 PolarHBondContact O-N 2.85Å
213I98.3Very high95.4Very high8 Ų848.1 Ų48.14%0.04127%0.269CS..Hα-helixtrans-63.2-45176.9-63.9163.4000110.4F104 F128 I132 V154 V156 Y167 H209 I210 R215 L216 V217F104-I213 HydrophobicContact CE2-CG2 4.46Å; F104-I213 HydrophobicContact CZ-CG2 4.16Å; F128-I213 HydrophobicContact CE2-CD1 4.17Å; F128-I213 HydrophobicContact CZ-CD1 4.21Å; I132-I213 HydrophobicContact CD1-CG2 4.05Å; V154-I213 HydrophobicContact CG1-CD1 4.27Å; V154-I213 HydrophobicContact CG1-CG1 4.48Å; V154-I213 HydrophobicContact CG1-CG2 4.05Å; V154-I213 HydrophobicContact CG2-CG1 4.27Å; V156-I213 HydrophobicContact CG2-CD1 4.13Å; Y167-I213 HydrophobicContact CD1-CG1 3.9Å; Y167-I213 HydrophobicContact CE1-CD1 4.48Å; Y167-I213 HydrophobicContact CE1-CG1 3.86Å; H209-I213 VanDerWaalsContact O-CG1 3.24Å; H209-I213 WeakPolarHBondContact O-CG1 3.38Å; H209-I213 PolarHBondContact O-N 2.65Å; I210-I213 PolarHBondContact O-N 3.49Å; I213-R215 PolarHBondContact O-N 2.82Å; I213-L216 WeakPolarHBondContact O-CB 3.46Å; I213-L216 PolarHBondContact O-N 3.14Å; I213-L216 VanDerWaalsContact O-N 3.12Å; I213-V217 HydrophobicContact CG2-CG2 4.17Å; I213-V217 WeakPolarHBondContact O-CG2 3.16Å; I213-V217 PolarHBondContact O-N 3.47Å
214G97.9Very high95.4Very high16 Ų1646.8 Ų46.817%0.16526%0.26CS..Hα-helixtrans-56.5-46.3178.700000112.7I210 A211 L216 V217 E218I210-G214 PolarHBondContact O-N 3.31Å; A211-G214 PolarHBondContact O-N 2.86Å; G214-L216 VanDerWaalsContact C-N 3.34Å; G214-L216 PolarHBondContact O-N 3.08Å; G214-V217 PolarHBondContact O-N 2.83Å; G214-E218 WeakPolarHBondContact O-CB 3.47Å; G214-E218 PolarHBondContact O-N 2.87Å
215R97.7Very high95.6Very high102 Ų10251.5 Ų51.539%0.38527%0.267SS..Hα-helixtrans-60.1-41.9175.1-72.1-174.8-71.2145.2-1.9112.4E201 S207 A211 N212 I213 D219E201-R215 IonicContact OE1-NH1 2.65Å; E201-R215 IonicContact OE2-CZ 2.66Å; E201-R215 IonicContact OE2-NH1 3.62Å; E201-R215 IonicContact OE2-NH2 3.31Å; E201-R215 PolarHBondContact OE2-NH2 3.02Å; E201-R215 VanDerWaalsContact OE2-NH2 3.11Å; S207-R215 PolarHBondContact OG-NH2 2.83Å; A211-R215 WeakPolarHBondContact O-CG 3.47Å; A211-R215 PolarHBondContact O-N 2.82Å; N212-R215 PolarHBondContact O-N 2.9Å; N212-R215 PolarHBondContact OD1-NH2 3.43Å; I213-R215 PolarHBondContact O-N 2.82Å; R215-D219 WeakPolarHBondContact O-CB 3.29Å; R215-D219 PolarHBondContact O-N 2.84Å
216L97.6Very high96Very high4 Ų444.5 Ų44.52%0.02124%0.24CC..Hα-helixtrans-65.2-44.3177.8-66.6170.7000111.8Y167 L169 M197 K199 N212 I213 G214 M220Y167-L216 VanDerWaalsContact CB-CD1 3.48Å; Y167-L216 HydrophobicContact CD1-CD1 4.22Å; Y167-L216 HydrophobicContact CG-CD1 3.89Å; L169-L216 HydrophobicContact CD2-CB 3.9Å; M197-L216 HydrophobicContact CE-CD2 3.46Å; M197-L216 VanDerWaalsContact CE-CD2 3.46Å; M197-L216 HydrophobicContact SD-CB 4.27Å; M197-L216 HydrophobicContact SD-CD2 3.96Å; K199-L216 HydrophobicContact CB-CD2 3.97Å; K199-L216 HydrophobicContact CD-CD2 3.77Å; N212-L216 WeakPolarHBondContact O-CG 3.1Å; N212-L216 PolarHBondContact O-N 2.85Å; I213-L216 WeakPolarHBondContact O-CB 3.46Å; I213-L216 PolarHBondContact O-N 3.14Å; I213-L216 VanDerWaalsContact O-N 3.12Å; G214-L216 VanDerWaalsContact C-N 3.34Å; G214-L216 PolarHBondContact O-N 3.08Å; L216-M220 WeakPolarHBondContact O-CB 3.21Å; L216-M220 PolarHBondContact O-N 2.8Å
217V98.3Very high96.3Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-63.8-47.6178.2171.10000110.6F104 I132 H152 L169 I213 G214 D219 M220 E221F104-V217 HydrophobicContact CE1-CB 4.13Å; F104-V217 HydrophobicContact CE1-CG1 3.98Å; F104-V217 HydrophobicContact CE1-CG2 4.27Å; F104-V217 HydrophobicContact CZ-CB 4.43Å; F104-V217 HydrophobicContact CZ-CG2 4.2Å; I132-V217 HydrophobicContact CD1-CG2 4.34Å; H152-V217 HydrophobicContact CB-CG2 4.22Å; L169-V217 HydrophobicContact CD1-CG2 4.3Å; L169-V217 HydrophobicContact CD2-CG2 4.23Å; I213-V217 HydrophobicContact CG2-CG2 4.17Å; I213-V217 WeakPolarHBondContact O-CG2 3.16Å; I213-V217 PolarHBondContact O-N 3.47Å; G214-V217 PolarHBondContact O-N 2.83Å; V217-D219 PolarHBondContact O-N 2.95Å; V217-M220 PolarHBondContact O-N 2.81Å; V217-E221 HydrophobicContact CG1-CG 4.4Å; V217-E221 WeakPolarHBondContact O-CB 3.37Å; V217-E221 PolarHBondContact O-N 3.4Å
218E98.1Very high96.4Very high70 Ų7038.8 Ų38.833%0.32720%0.198SC..Hα-helixtrans-59.2-49.6179.1-177.2-176.2-17900112.1Y107 Y111 G214 M220 N222Y107-E218 HydrophobicContact CE2-CB 4Å; Y107-E218 HydrophobicContact CE2-CG 4.17Å; Y111-E218 PolarHBondContact OH-OE1 2.92Å; G214-E218 WeakPolarHBondContact O-CB 3.47Å; G214-E218 PolarHBondContact O-N 2.87Å; E218-M220 VanDerWaalsContact C-N 3.3Å; E218-M220 PolarHBondContact O-N 3.19Å; E218-N222 WeakPolarHBondContact O-CB 3.27Å; E218-N222 PolarHBondContact O-N 3.4Å; E218-N222 PolarHBondContact O-ND2 3.19Å
219D97.4Very high96.1Very high76 Ų7640 Ų4041%0.40620%0.202SC..Hα-helixtrans-60.8-40.7177.3-83.6-11000111.9R215 V217 K223R215-D219 WeakPolarHBondContact O-CB 3.29Å; R215-D219 PolarHBondContact O-N 2.84Å; V217-D219 PolarHBondContact O-N 2.95Å; D219-K223 WeakPolarHBondContact O-CD 3.39Å; D219-K223 VanDerWaalsContact O-CG 3.27Å; D219-K223 WeakPolarHBondContact O-CG 3.33Å; D219-K223 PolarHBondContact O-N 3.05Å
220M97.1Very high95.9Very high7 Ų744.6 Ų44.63%0.03422%0.223CC..Hα-helixtrans-71.2-47.5-178.5-176.857.278.800111.8L169 S171 R195 M197 L216 V217 E218 N222 K223 I224L169-M220 HydrophobicContact CD2-CB 3.94Å; L169-M220 HydrophobicContact CD2-CG 4.32Å; S171-M220 WeakPolarHBondContact OG-CG 3.5Å; R195-M220 HydrophobicContact CB-CE 4.02Å; R195-M220 HydrophobicContact CB-SD 3.6Å; R195-M220 HydrophobicContact CG-SD 4.48Å; M197-M220 HydrophobicContact CB-CE 3.58Å; M197-M220 HydrophobicContact CG-CE 3.52Å; M197-M220 HydrophobicContact SD-CB 4.14Å; M197-M220 HydrophobicContact SD-CE 3.62Å; L216-M220 WeakPolarHBondContact O-CB 3.21Å; L216-M220 PolarHBondContact O-N 2.8Å; V217-M220 PolarHBondContact O-N 2.81Å; E218-M220 VanDerWaalsContact C-N 3.3Å; E218-M220 PolarHBondContact O-N 3.19Å; M220-N222 VanDerWaalsContact C-N 3.3Å; M220-N222 PolarHBondContact O-N 3.4Å; M220-K223 PolarHBondContact O-N 3.24Å; M220-I224 HydrophobicContact CG-CD1 3.71Å; M220-I224 HydrophobicContact CG-CG1 4.3Å; M220-I224 WeakPolarHBondContact O-CB 3.3Å; M220-I224 WeakPolarHBondContact O-CG1 3.36Å; M220-I224 PolarHBondContact O-N 2.88Å; M220-I224 HydrophobicContact SD-CD1 3.85Å; M220-I224 HydrophobicContact SD-CG1 3.97Å
221E95.4Very high95.5Very high10 Ų1046.2 Ų46.25%0.04723%0.231CC..Hα-helixtrans-58.4-43.1175.9-83.6-150.8176.900111.2Y107 S150 H152 V217 K223 I224 R225Y107-E221 PolarHBondContact OH-OE2 3.5Å; S150-E221 VanDerWaalsContact CB-OE1 3.27Å; S150-E221 WeakPolarHBondContact CB-OE1 3.27Å; S150-E221 PolarHBondContact OG-OE1 3.01Å; H152-E221 IonicContact CD2-OE1 3.9Å; H152-E221 WeakPolarHBondContact CE1-CG 3.44Å; H152-E221 IonicContact CE1-OE1 3.93Å; H152-E221 VanDerWaalsContact NE2-CG 3.32Å; H152-E221 WeakPolarHBondContact NE2-CG 3.46Å; H152-E221 IonicContact NE2-OE1 3.87Å; H152-E221 PolarHBondContact NE2-OE1 3.39Å; V217-E221 HydrophobicContact CG1-CG 4.4Å; V217-E221 WeakPolarHBondContact O-CB 3.37Å; V217-E221 PolarHBondContact O-N 3.4Å; E221-K223 VanDerWaalsContact C-N 3.34Å; E221-K223 PolarHBondContact O-N 3.11Å; E221-I224 PolarHBondContact O-N 2.8Å; E221-R225 WeakPolarHBondContact O-CB 3.19Å; E221-R225 PolarHBondContact O-N 3.46Å
222N96.1Very high95Very high51 Ų5145 Ų4527%0.27322%0.218SC..Hα-helixtrans-59.5-43.9176.9-80-41.7000112.4E218 M220 S226E218-N222 WeakPolarHBondContact O-CB 3.27Å; E218-N222 PolarHBondContact O-N 3.4Å; E218-N222 PolarHBondContact O-ND2 3.19Å; M220-N222 VanDerWaalsContact C-N 3.3Å; M220-N222 PolarHBondContact O-N 3.4Å; N222-S226 PolarHBondContact O-N 3.36Å; N222-S226 VanDerWaalsContact O-N 3.08Å
223K96Very high94.5Very high103 Ų10349.9 Ų49.945%0.44824%0.239SC..Hα-helixtrans-66.7-44.5176.9-73.2167.3-174.1164.80112D219 M220 E221 S226 T227D219-K223 WeakPolarHBondContact O-CD 3.39Å; D219-K223 VanDerWaalsContact O-CG 3.27Å; D219-K223 WeakPolarHBondContact O-CG 3.33Å; D219-K223 PolarHBondContact O-N 3.05Å; M220-K223 PolarHBondContact O-N 3.24Å; E221-K223 VanDerWaalsContact C-N 3.34Å; E221-K223 PolarHBondContact O-N 3.11Å; K223-S226 PolarHBondContact O-N 2.85Å; K223-T227 WeakPolarHBondContact O-CB 3.49Å; K223-T227 PolarHBondContact O-N 2.82Å; K223-T227 PolarHBondContact O-OG1 2.88Å
224I95.6Very high94.2Very high0 Ų050.7 Ų50.70%025%0.25CC..Hα-helixtrans-63-46178.1-72173.6000110V173 L193 R195 M220 E221 S226 T227 L228V173-I224 HydrophobicContact CB-CG2 3.6Å; V173-I224 HydrophobicContact CG1-CG2 4.3Å; V173-I224 HydrophobicContact CG2-CB 4.34Å; V173-I224 HydrophobicContact CG2-CD1 4.17Å; V173-I224 HydrophobicContact CG2-CG2 3.51Å; L193-I224 HydrophobicContact CB-CG2 4.47Å; L193-I224 HydrophobicContact CD2-CG2 4.2Å; R195-I224 HydrophobicContact CB-CD1 4.3Å; R195-I224 HydrophobicContact CB-CG1 4.4Å; R195-I224 HydrophobicContact CG-CG1 4.31Å; M220-I224 HydrophobicContact CG-CD1 3.71Å; M220-I224 HydrophobicContact CG-CG1 4.3Å; M220-I224 WeakPolarHBondContact O-CB 3.3Å; M220-I224 WeakPolarHBondContact O-CG1 3.36Å; M220-I224 PolarHBondContact O-N 2.88Å; M220-I224 HydrophobicContact SD-CD1 3.85Å; M220-I224 HydrophobicContact SD-CG1 3.97Å; E221-I224 PolarHBondContact O-N 2.8Å; I224-S226 PolarHBondContact O-N 3.31Å; I224-T227 PolarHBondContact O-N 3.42Å; I224-T227 VanDerWaalsContact O-N 3.14Å; I224-L228 HydrophobicContact CG2-CD1 3.74Å; I224-L228 HydrophobicContact CG2-CG 4.12Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 WeakPolarHBondContact O-CG 3.25Å; I224-L228 PolarHBondContact O-N 3.48Å
225R94.4Very high93.8Very high136 Ų13656.3 Ų56.351%0.51327%0.27SS..Hα-helixtrans-57.6-45.5176.7-173.4-172.46371.91.9112.1W148 E221 T227 L228 N229W148-R225 HydrophobicContact CH2-CB 4.02Å; W148-R225 HydrophobicContact CH2-CG 4.11Å; E221-R225 WeakPolarHBondContact O-CB 3.19Å; E221-R225 PolarHBondContact O-N 3.46Å; R225-T227 VanDerWaalsContact C-N 3.35Å; R225-L228 PolarHBondContact O-N 3.44Å; R225-N229 WeakPolarHBondContact O-CB 3.36Å; R225-N229 PolarHBondContact O-N 3.17Å
226S94.6Very high93.4Very high52 Ų5253.5 Ų53.536%0.36426%0.264SS..Hα-helixtrans-61.4-44.9175.7-164.90000111.6N222 K223 I224 N229 E230N222-S226 PolarHBondContact O-N 3.36Å; N222-S226 VanDerWaalsContact O-N 3.08Å; K223-S226 PolarHBondContact O-N 2.85Å; I224-S226 PolarHBondContact O-N 3.31Å; S226-N229 WeakPolarHBondContact O-CB 3.48Å; S226-N229 PolarHBondContact O-N 3.31Å; S226-E230 PolarHBondContact O-N 3Å; S226-E230 VanDerWaalsContact O-N 3.12Å
227T93.6Very high93.1Very high22 Ų2259.2 Ų59.214%0.13529%0.288CS..Hα-helixtrans-65.2-42.4180-52.10000111.6L193 R195 K223 I224 R225 N229 E230 I231L193-T227 HydrophobicContact CD2-CG2 3.54Å; R195-T227 PolarHBondContact NH2-OG1 3.38Å; K223-T227 WeakPolarHBondContact O-CB 3.49Å; K223-T227 PolarHBondContact O-N 2.82Å; K223-T227 PolarHBondContact O-OG1 2.88Å; I224-T227 PolarHBondContact O-N 3.42Å; I224-T227 VanDerWaalsContact O-N 3.14Å; R225-T227 VanDerWaalsContact C-N 3.35Å; T227-N229 VanDerWaalsContact C-N 3.32Å; T227-N229 PolarHBondContact O-N 2.9Å; T227-E230 PolarHBondContact O-N 3.46Å; T227-I231 HydrophobicContact CG2-CD1 3.76Å; T227-I231 HydrophobicContact CG2-CG1 4.39Å; T227-I231 VanDerWaalsContact O-CG1 3.31Å; T227-I231 WeakPolarHBondContact O-CG1 3.43Å; T227-I231 PolarHBondContact O-N 3.3Å
228L91.4Very high92.7Very high4 Ų464.3 Ų64.32%0.02132%0.316CS..Hα-helixtrans-61.1-42.6175.6-75.4172000110.9W148 V173 L193 I224 R225 E230 I231 Y232W148-L228 HydrophobicContact CH2-CD1 3.91Å; W148-L228 HydrophobicContact CZ3-CD1 4.05Å; V173-L228 HydrophobicContact CB-CD1 4.12Å; V173-L228 HydrophobicContact CG1-CD1 3.58Å; L193-L228 HydrophobicContact CB-CD2 3.87Å; L193-L228 HydrophobicContact CB-CG 4.37Å; L193-L228 HydrophobicContact CD2-CG 4.42Å; I224-L228 HydrophobicContact CG2-CD1 3.74Å; I224-L228 HydrophobicContact CG2-CG 4.12Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 WeakPolarHBondContact O-CG 3.25Å; I224-L228 PolarHBondContact O-N 3.48Å; R225-L228 PolarHBondContact O-N 3.44Å; L228-E230 PolarHBondContact O-N 3.39Å; L228-I231 PolarHBondContact O-N 3.15Å; L228-Y232 HydrophobicContact CB-CD2 4.47Å; L228-Y232 HydrophobicContact CD2-CD2 4Å; L228-Y232 HydrophobicContact CD2-CE2 3.49Å; L228-Y232 VanDerWaalsContact CD2-CE2 3.49Å; L228-Y232 VanDerWaalsContact O-CB 3.24Å; L228-Y232 WeakPolarHBondContact O-CB 3.39Å; L228-Y232 VanDerWaalsContact O-CD2 3.29Å; L228-Y232 WeakPolarHBondContact O-CD2 3.47Å; L228-Y232 PolarHBondContact O-N 2.97Å
229N90.5Very high92.4Very high86 Ų8666.1 Ų66.146%0.4633%0.327SS..Hα-helixtrans-58.9-47.7177.1-175.944.4000112R225 S226 T227 F233R225-N229 WeakPolarHBondContact O-CB 3.36Å; R225-N229 PolarHBondContact O-N 3.17Å; S226-N229 WeakPolarHBondContact O-CB 3.48Å; S226-N229 PolarHBondContact O-N 3.31Å; T227-N229 VanDerWaalsContact C-N 3.32Å; T227-N229 PolarHBondContact O-N 2.9Å; N229-F233 WeakPolarHBondContact O-CD2 3.43Å; N229-F233 PolarHBondContact O-N 3.33Å; N229-F233 VanDerWaalsContact OD1-CD2 3.24Å; N229-F233 WeakPolarHBondContact OD1-CD2 3.32Å
230E91.6Very high92.1Very high120 Ų12066.8 Ų66.856%0.56133%0.333SS*.Iπ-helixtrans-63.6-42.6178.1-70.7169.6-15800112.7S226 T227 L228 G234 K235S226-E230 PolarHBondContact O-N 3Å; S226-E230 VanDerWaalsContact O-N 3.12Å; T227-E230 PolarHBondContact O-N 3.46Å; L228-E230 PolarHBondContact O-N 3.39Å; E230-G234 CarbonylContact O-C 3.58Å; E230-G234 WeakPolarHBondContact O-CA 3.46Å; E230-G234 PolarHBondContact O-N 3.03Å; E230-K235 PolarHBondContact O-N 3.48Å; E230-K235 VanDerWaalsContact O-N 3.1Å
231I89.7Confident91.7Very high60 Ų6070.3 Ų70.331%0.30835%0.352SS..Iπ-helixtrans-71-51-179.5-66.7173.7000110.6T227 L228 K235 T236T227-I231 HydrophobicContact CG2-CD1 3.76Å; T227-I231 HydrophobicContact CG2-CG1 4.39Å; T227-I231 VanDerWaalsContact O-CG1 3.31Å; T227-I231 WeakPolarHBondContact O-CG1 3.43Å; T227-I231 PolarHBondContact O-N 3.3Å; L228-I231 PolarHBondContact O-N 3.15Å; I231-K235 HydrophobicContact CG1-CD 4.43Å; I231-K235 WeakPolarHBondContact O-CB 3.47Å; I231-K235 PolarHBondContact O-N 3.5Å; I231-T236 PolarHBondContact O-N 3.42Å
232Y86.9Confident91.3Very high18 Ų1873.1 Ų73.17%0.07138%0.384CS..Iπ-helixtrans-70.9-40.3-172.5-84.1-117.7000112.4L175 L189 G190 G191 L228 T236L175-Y232 HydrophobicContact CD2-CD1 4.34Å; L175-Y232 HydrophobicContact CD2-CE1 4.32Å; L175-Y232 HydrophobicContact CG-CE1 4.38Å; L175-Y232 PolarHBondContact O-OH 2.79Å; L189-Y232 HydrophobicContact CB-CD1 3.9Å; L189-Y232 HydrophobicContact CB-CE1 4.11Å; L189-Y232 HydrophobicContact CD2-CD1 4.42Å; G190-Y232 VanDerWaalsContact C-OH 3.23Å; G191-Y232 WeakPolarHBondContact CA-OH 3.48Å; G191-Y232 PolarHBondContact N-OH 2.93Å; G191-Y232 PolarHBondContact O-OH 3.01Å; G191-Y232 VanDerWaalsContact O-OH 3.07Å; L228-Y232 HydrophobicContact CB-CD2 4.47Å; L228-Y232 HydrophobicContact CD2-CD2 4Å; L228-Y232 HydrophobicContact CD2-CE2 3.49Å; L228-Y232 VanDerWaalsContact CD2-CE2 3.49Å; L228-Y232 VanDerWaalsContact O-CB 3.24Å; L228-Y232 WeakPolarHBondContact O-CB 3.39Å; L228-Y232 VanDerWaalsContact O-CD2 3.29Å; L228-Y232 WeakPolarHBondContact O-CD2 3.47Å; L228-Y232 PolarHBondContact O-N 2.97Å; Y232-T236 WeakPolarHBondContact O-CG2 3.32Å; Y232-T236 PolarHBondContact O-OG1 3.29Å
233F87.5Confident91Very high102 Ų10277.7 Ų77.745%0.44741%0.407SS..Iπ-helixtrans-108.5-15.9-173.6-53.6-70.7000113.8L177 L189 N229 K237L177-F233 HydrophobicContact CD1-CE1 4.36Å; L177-F233 HydrophobicContact CD1-CZ 3.7Å; L189-F233 HydrophobicContact CD1-CE1 4.18Å; N229-F233 WeakPolarHBondContact O-CD2 3.43Å; N229-F233 PolarHBondContact O-N 3.33Å; N229-F233 VanDerWaalsContact OD1-CD2 3.24Å; N229-F233 WeakPolarHBondContact OD1-CD2 3.32Å; F233-K237 WeakPolarHBondContact O-CB 3.36Å
234G90.5Very high90.5Very high25 Ų2582 Ų8226%0.25842%0.421SS..Iπ-helixtrans-90.4-73.3169.600000111.2E230 T236 K237 D238E230-G234 CarbonylContact O-C 3.58Å; E230-G234 WeakPolarHBondContact O-CA 3.46Å; E230-G234 PolarHBondContact O-N 3.03Å; G234-T236 PolarHBondContact O-N 3.31Å; G234-K237 WeakPolarHBondContact O-CB 3.39Å; G234-K237 PolarHBondContact O-N 3.38Å; G234-K237 VanDerWaalsContact O-N 3.12Å; G234-D238 PolarHBondContact O-N 3.34Å
235K90.9Very high89.9Confident134 Ų13485.3 Ų85.358%0.58344%0.444SS*.Iπ-helixtrans-59.4-44.4-170.9-65.7-169.6177.6-172.10113.8E230 I231 K237 D238 I239E230-K235 PolarHBondContact O-N 3.48Å; E230-K235 VanDerWaalsContact O-N 3.1Å; I231-K235 HydrophobicContact CG1-CD 4.43Å; I231-K235 WeakPolarHBondContact O-CB 3.47Å; I231-K235 PolarHBondContact O-N 3.5Å; K235-K237 VanDerWaalsContact C-N 3.3Å; K235-K237 PolarHBondContact O-N 3.32Å; K235-D238 PolarHBondContact O-N 2.91Å; K235-I239 VanDerWaalsContact O-CG1 3.26Å; K235-I239 WeakPolarHBondContact O-CG1 3.3Å; K235-I239 PolarHBondContact O-N 3.39Å
236T89.1Confident89.3Confident43 Ų4386.4 Ų86.426%0.26446%0.459SS..Hα-helixtrans-63.9-38.7-18075.60000111.7L189 I231 Y232 G234 I239 V240L189-T236 HydrophobicContact CD2-CG2 4.07Å; I231-T236 PolarHBondContact O-N 3.42Å; Y232-T236 WeakPolarHBondContact O-CG2 3.32Å; Y232-T236 PolarHBondContact O-OG1 3.29Å; G234-T236 PolarHBondContact O-N 3.31Å; T236-I239 PolarHBondContact O-N 3.36Å; T236-V240 WeakPolarHBondContact O-CB 3.34Å; T236-V240 VanDerWaalsContact O-CG2 3.26Å; T236-V240 WeakPolarHBondContact O-CG2 3.24Å; T236-V240 PolarHBondContact O-N 2.99Å
237K90Very high88.5Confident124 Ų12491.3 Ų91.354%0.53948%0.476SS..Hα-helixtrans-64.5-45.4177177.5-174.9171.7-1710111F233 G234 K235 I239 V240 N241F233-K237 WeakPolarHBondContact O-CB 3.36Å; G234-K237 WeakPolarHBondContact O-CB 3.39Å; G234-K237 PolarHBondContact O-N 3.38Å; G234-K237 VanDerWaalsContact O-N 3.12Å; K235-K237 VanDerWaalsContact C-N 3.3Å; K235-K237 PolarHBondContact O-N 3.32Å; K237-I239 PolarHBondContact O-N 3.43Å; K237-V240 PolarHBondContact O-N 3.31Å; K237-N241 WeakPolarHBondContact O-CB 3.47Å; K237-N241 VanDerWaalsContact O-CG 3.24Å; K237-N241 PolarHBondContact O-N 3.21Å; K237-N241 PolarHBondContact O-ND2 3.01Å
238D90.1Very high87.2Confident107 Ų10795.1 Ų95.157%0.57250%0.503SS*.Hα-helixtrans-63.2-42.2179.2-66.1-18.6000111.5G234 K235 N241 G242G234-D238 PolarHBondContact O-N 3.34Å; K235-D238 PolarHBondContact O-N 2.91Å; D238-N241 PolarHBondContact O-N 2.99Å; D238-G242 PolarHBondContact O-N 3.29Å
239I92Very high86.1Confident109 Ų109102.3 Ų102.356%0.55954%0.541SS*.Hα-helixtrans-61.9-49.5175.3-67.2165.3000110.5K235 T236 K237 N241 G242 L243K235-I239 VanDerWaalsContact O-CG1 3.26Å; K235-I239 WeakPolarHBondContact O-CG1 3.3Å; K235-I239 PolarHBondContact O-N 3.39Å; T236-I239 PolarHBondContact O-N 3.36Å; K237-I239 PolarHBondContact O-N 3.43Å; I239-N241 PolarHBondContact O-N 2.8Å; I239-G242 PolarHBondContact O-N 2.82Å; I239-L243 HydrophobicContact CG2-CD1 4.25Å; I239-L243 WeakPolarHBondContact O-CG 3.41Å; I239-L243 PolarHBondContact O-N 3.16Å
240V91.4Very high84.7Confident90 Ų90101.2 Ų101.255%0.54554%0.538SS..Hα-helixtrans-60.4-44.9179.9169.70000111.3T236 K237 G242 L243 R244T236-V240 WeakPolarHBondContact O-CB 3.34Å; T236-V240 VanDerWaalsContact O-CG2 3.26Å; T236-V240 WeakPolarHBondContact O-CG2 3.24Å; T236-V240 PolarHBondContact O-N 2.99Å; K237-V240 PolarHBondContact O-N 3.31Å; V240-G242 VanDerWaalsContact C-N 3.32Å; V240-G242 PolarHBondContact O-N 3.12Å; V240-L243 PolarHBondContact O-N 2.89Å; V240-R244 PolarHBondContact O-N 2.8Å
241N89.1Confident83.2Confident80 Ų80101 Ų10143%0.42854%0.541SS..Hα-helixtrans-68-31.8177.9-69.9-21.3000112.5K237 D238 I239 R244 S245K237-N241 WeakPolarHBondContact O-CB 3.47Å; K237-N241 VanDerWaalsContact O-CG 3.24Å; K237-N241 PolarHBondContact O-N 3.21Å; K237-N241 PolarHBondContact O-ND2 3.01Å; D238-N241 PolarHBondContact O-N 2.99Å; I239-N241 PolarHBondContact O-N 2.8Å; N241-R244 CarbonylContact O-C 3.53Å; N241-R244 VanDerWaalsContact O-C 3.27Å; N241-R244 PolarHBondContact O-N 2.8Å; N241-S245 PolarHBondContact O-N 3.12Å
242G87.2Confident81.8Confident69 Ų69103.3 Ų103.371%0.71155%0.554SS**Hα-helixtrans-69-32174.300000113.4D238 I239 V240D238-G242 PolarHBondContact O-N 3.29Å; I239-G242 PolarHBondContact O-N 2.82Å; V240-G242 VanDerWaalsContact C-N 3.32Å; V240-G242 PolarHBondContact O-N 3.12Å
243L89.9Confident80.7Confident147 Ų147109.4 Ų109.477%0.7758%0.583SS**Hα-helixtrans-74.7-33.3175.2-67.1173000112.4I239 V240I239-L243 HydrophobicContact CG2-CD1 4.25Å; I239-L243 WeakPolarHBondContact O-CG 3.41Å; I239-L243 PolarHBondContact O-N 3.16Å; V240-L243 PolarHBondContact O-N 2.89Å
244R85.4Confident80.1Confident194 Ų194111.5 Ų111.573%0.73259%0.592SS**SBendtrans-150.996.9179.8-170.8-180-176.7-78-0.8111.4V240 N241V240-R244 PolarHBondContact O-N 2.8Å; N241-R244 CarbonylContact O-C 3.53Å; N241-R244 VanDerWaalsContact O-C 3.27Å; N241-R244 PolarHBondContact O-N 2.8Å
245S82Confident79.2Confident69 Ų69117 Ų11748%0.48361%0.606SS.*  trans-87.2142.8171.3-170.60000111.5N241 E247N241-S245 PolarHBondContact O-N 3.12Å; S245-E247 WeakPolarHBondContact CB-O 3.38Å; S245-E247 PolarHBondContact OG-N 3.31Å; S245-E247 PolarHBondContact OG-O 3.43Å
246I82.4Confident78.4Confident160 Ų160117.4 Ų117.482%0.82160%0.604SS**SBendtrans-77.6-33.1169.4-58.5171.6000109.7S248I246-S248 PolarHBondContact O-N 2.8Å
247E76.8Confident78.1Confident155 Ų155120.8 Ų120.872%0.72462%0.617SS**SBendtrans-65.7131170.9-62.1-175.4176.300108.1S245 L249S245-E247 WeakPolarHBondContact CB-O 3.38Å; S245-E247 PolarHBondContact OG-N 3.31Å; S245-E247 PolarHBondContact OG-O 3.43Å; E247-L249 PolarHBondContact O-N 2.89Å
248S67.5Low77.8Confident102 Ų102119.8 Ų119.871%0.71362%0.617SS**  trans-49.9132.9168.853.60000107.8I246 P250I246-S248 PolarHBondContact O-N 2.8Å; S248-P250 WeakPolarHBondContact O-CD 3.39Å
249L68Low77.3Confident154 Ų154120.5 Ų120.581%0.80662%0.617SS**  trans-43.9117.2166.8-75.3168.6000106.3E247 D251E247-L249 PolarHBondContact O-N 2.89Å; L249-D251 PolarHBondContact O-N 3Å
250P61.1Low77Confident63 Ų63123.8 Ų123.841%0.40962%0.622SS.*  trans-53.1125.3-176.413.7-26.4000106.8S248 N252 Y255S248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-N252 PolarHBondContact O-N 3.12Å; P250-Y255 HydrophobicContact CB-CD2 3.83Å; P250-Y255 HydrophobicContact CB-CE2 4.19Å; P250-Y255 HydrophobicContact CG-CD2 3.44Å; P250-Y255 VanDerWaalsContact CG-CD2 3.44Å; P250-Y255 HydrophobicContact CG-CE2 3.36Å
251D58.9Low76.9Confident115 Ų115124.2 Ų124.262%0.61562%0.618SS**  trans-46.1136179.7-105.1-32.2000107.8L249 Q253 K254 Y255L249-D251 PolarHBondContact O-N 3Å; D251-Q253 HydrophobicContact CB-CB 4.44Å; D251-Q253 CarbonylContact O-C 3.27Å; D251-Q253 PolarHBondContact O-N 2.7Å; D251-K254 PolarHBondContact O-N 2.87Å; D251-Y255 PolarHBondContact O-N 2.89Å
252N61.4Low76.8Confident109 Ų109125.5 Ų125.558%0.58362%0.624SS**Hα-helixtrans-50.4-24.2-179.7-147.8-25000110.8P250 R256P250-N252 PolarHBondContact O-N 3.12Å; N252-R256 WeakPolarHBondContact O-CB 3.43Å; N252-R256 WeakPolarHBondContact O-CG 3.43Å; N252-R256 PolarHBondContact O-N 3.23Å
253Q63.7Low76.8Confident146 Ų146125.6 Ų125.668%0.68261%0.614SS**Hα-helixtrans-62.6-50.3168.3-79.8-174.6-23.700115.4D251 Y255 R256 Q257D251-Q253 HydrophobicContact CB-CB 4.44Å; D251-Q253 CarbonylContact O-C 3.27Å; D251-Q253 PolarHBondContact O-N 2.7Å; Q253-Y255 VanDerWaalsContact C-N 3.33Å; Q253-Y255 PolarHBondContact O-N 3.06Å; Q253-R256 PolarHBondContact O-N 3.1Å; Q253-Q257 WeakPolarHBondContact O-CB 3.35Å; Q253-Q257 PolarHBondContact O-N 3.24Å
254K74.5Confident76.7Confident146 Ų146124.3 Ų124.364%0.63560%0.604SS**Hα-helixtrans-63-40.3179.7-75.9-175.7179.9177.10111.3D251 Q257 L258D251-K254 PolarHBondContact O-N 2.87Å; K254-Q257 PolarHBondContact O-N 3.4Å; K254-L258 WeakPolarHBondContact O-CB 3.41Å; K254-L258 PolarHBondContact O-N 3.47Å
255Y71.6Confident76.9Confident140 Ų140118.4 Ų118.455%0.54959%0.589SS.*Hα-helixtrans-64.6-42.2174.4-113.8-86000112.4P250 D251 Q253 Q257 L258 Q259P250-Y255 HydrophobicContact CB-CD2 3.83Å; P250-Y255 HydrophobicContact CB-CE2 4.19Å; P250-Y255 HydrophobicContact CG-CD2 3.44Å; P250-Y255 VanDerWaalsContact CG-CD2 3.44Å; P250-Y255 HydrophobicContact CG-CE2 3.36Å; D251-Y255 PolarHBondContact O-N 2.89Å; Q253-Y255 VanDerWaalsContact C-N 3.33Å; Q253-Y255 PolarHBondContact O-N 3.06Å; Y255-Q257 VanDerWaalsContact C-N 3.32Å; Y255-Q257 PolarHBondContact O-N 3.47Å; Y255-L258 PolarHBondContact O-N 3.06Å; Y255-Q259 WeakPolarHBondContact O-CB 3.4Å; Y255-Q259 WeakPolarHBondContact O-CG 3.24Å; Y255-Q259 PolarHBondContact O-N 3.19Å
256R73.5Confident77Confident143 Ų143119.5 Ų119.554%0.5459%0.589SS.*Hα-helixtrans-64.6-36.2174-77.7175-168.8-171.31.7112.6N252 Q253 Q259 R260N252-R256 WeakPolarHBondContact O-CB 3.43Å; N252-R256 WeakPolarHBondContact O-CG 3.43Å; N252-R256 PolarHBondContact O-N 3.23Å; Q253-R256 PolarHBondContact O-N 3.1Å; R256-Q259 PolarHBondContact O-N 2.86Å; R256-R260 WeakPolarHBondContact O-CG 3.27Å; R256-R260 PolarHBondContact O-N 2.82Å
257Q83.6Confident77Confident115 Ų115116 Ų11654%0.53758%0.575SS.*Hα-helixtrans-68.6-45.8178.3-155.3166.416.700110.1Q253 K254 Y255 Q259 R260 E261Q253-Q257 WeakPolarHBondContact O-CB 3.35Å; Q253-Q257 PolarHBondContact O-N 3.24Å; K254-Q257 PolarHBondContact O-N 3.4Å; Y255-Q257 VanDerWaalsContact C-N 3.32Å; Y255-Q257 PolarHBondContact O-N 3.47Å; Q257-Q259 PolarHBondContact O-N 3.35Å; Q257-R260 WeakPolarHBondContact O-CB 3.37Å; Q257-R260 PolarHBondContact O-N 2.83Å; Q257-R260 VanDerWaalsContact O-N 3.16Å; Q257-E261 WeakPolarHBondContact O-CG 3.49Å; Q257-E261 PolarHBondContact O-N 2.8Å
258L83Confident77.1Confident103 Ų103114.2 Ų114.254%0.53957%0.567SS.*Hα-helixtrans-60.5-41.9173-148.689000111.8K254 Y255 R260 E261 L262K254-L258 WeakPolarHBondContact O-CB 3.41Å; K254-L258 PolarHBondContact O-N 3.47Å; Y255-L258 PolarHBondContact O-N 3.06Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-R260 PolarHBondContact O-N 2.86Å; L258-E261 PolarHBondContact O-N 2.75Å; L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 PolarHBondContact O-N 3.5Å
259Q81.1Confident77.3Confident121 Ų121117.5 Ų117.557%0.56556%0.564SS**Hα-helixtrans-62.5-37.1175.3-82179.8-14.300113.1Y255 R256 Q257 S263Y255-Q259 WeakPolarHBondContact O-CB 3.4Å; Y255-Q259 WeakPolarHBondContact O-CG 3.24Å; Y255-Q259 PolarHBondContact O-N 3.19Å; R256-Q259 PolarHBondContact O-N 2.86Å; Q257-Q259 PolarHBondContact O-N 3.35Å; Q259-S263 WeakPolarHBondContact O-CB 3.47Å; Q259-S263 PolarHBondContact O-N 3.35Å; Q259-S263 PolarHBondContact O-OG 2.99Å
260R85Confident77.1Confident178 Ų178116.9 Ų116.967%0.67256%0.557SS**Hα-helixtrans-68.3-46175.3-75.9174.6-177.2177.7-0111R256 Q257 L258 S263 Q264R256-R260 WeakPolarHBondContact O-CG 3.27Å; R256-R260 PolarHBondContact O-N 2.82Å; Q257-R260 WeakPolarHBondContact O-CB 3.37Å; Q257-R260 PolarHBondContact O-N 2.83Å; Q257-R260 VanDerWaalsContact O-N 3.16Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-R260 PolarHBondContact O-N 2.86Å; R260-S263 PolarHBondContact O-N 2.99Å; R260-Q264 WeakPolarHBondContact O-CG 3.48Å; R260-Q264 PolarHBondContact O-N 3.47Å
261E89.4Confident77Confident100 Ų100119.7 Ų119.747%0.46757%0.567SS.*Hα-helixtrans-61.7-43.4176.3-73.3172.2-168.100111.4Q257 L258 S263 Q264 V265Q257-E261 WeakPolarHBondContact O-CG 3.49Å; Q257-E261 PolarHBondContact O-N 2.8Å; L258-E261 PolarHBondContact O-N 2.75Å; E261-S263 PolarHBondContact O-N 2.7Å; E261-Q264 PolarHBondContact O-N 3.16Å; E261-V265 WeakPolarHBondContact O-CG2 3.46Å; E261-V265 PolarHBondContact O-N 2.9Å
262L87Confident76.9Confident107 Ų107122.5 Ų122.556%0.5657%0.574SS**Hα-helixtrans-61.8-45.4177.3-14697.9000111.4L258 Q264 V265 L266L258-L262 WeakPolarHBondContact O-CB 3.49Å; L258-L262 PolarHBondContact O-N 3.5Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 3.19Å; L262-V265 PolarHBondContact O-N 3.22Å; L262-L266 HydrophobicContact CD2-CD1 4.27Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 VanDerWaalsContact O-CG 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 2.88Å
263S87.4Confident76.6Confident71 Ų71124 Ų12450%0.49758%0.581SS.*Hα-helixtrans-60-40.1176.5-61.70000112.2Q259 R260 E261 T267Q259-S263 WeakPolarHBondContact O-CB 3.47Å; Q259-S263 PolarHBondContact O-N 3.35Å; Q259-S263 PolarHBondContact O-OG 2.99Å; R260-S263 PolarHBondContact O-N 2.99Å; E261-S263 PolarHBondContact O-N 2.7Å; S263-T267 PolarHBondContact O-N 2.68Å; S263-T267 VanDerWaalsContact O-N 3.12Å; S263-T267 PolarHBondContact O-OG1 2.94Å
264Q88.1Confident75.7Confident119 Ų119126.8 Ų126.856%0.55660%0.6SS**Hα-helixtrans-68.1-40.1176.7-73.7174.7-7.900112.4R260 E261 L262 L266 T267 Q268R260-Q264 WeakPolarHBondContact O-CG 3.48Å; R260-Q264 PolarHBondContact O-N 3.47Å; E261-Q264 PolarHBondContact O-N 3.16Å; L262-Q264 VanDerWaalsContact C-N 3.31Å; L262-Q264 PolarHBondContact O-N 3.19Å; Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-T267 WeakPolarHBondContact CA-OG1 3.48Å; Q264-T267 PolarHBondContact O-OG1 3.08Å; Q264-Q268 WeakPolarHBondContact O-CB 3.28Å; Q264-Q268 WeakPolarHBondContact O-CG 3.48Å; Q264-Q268 PolarHBondContact O-N 2.64Å
265V88.1Confident75.7Confident70 Ų70125.8 Ų125.842%0.42460%0.599SS.*Hα-helixtrans-67.8-37.5177.5172.80000110.8E261 L262 Q268 R269E261-V265 WeakPolarHBondContact O-CG2 3.46Å; E261-V265 PolarHBondContact O-N 2.9Å; L262-V265 PolarHBondContact O-N 3.22Å; V265-Q268 PolarHBondContact O-N 3.11Å; V265-R269 WeakPolarHBondContact O-CB 3.26Å; V265-R269 WeakPolarHBondContact O-CG 3.34Å; V265-R269 PolarHBondContact O-N 3.07Å
266L85Confident75.9Confident92 Ų92125.1 Ų125.148%0.48260%0.601SS.*Hα-helixtrans-65.9-44.5176.9-72.5170.3000112L262 Q264 R269 Q270L262-L266 HydrophobicContact CD2-CD1 4.27Å; L262-L266 WeakPolarHBondContact O-CB 3.39Å; L262-L266 VanDerWaalsContact O-CG 3.25Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 2.88Å; Q264-L266 VanDerWaalsContact C-N 3.34Å; L266-R269 PolarHBondContact O-N 3.33Å; L266-Q270 PolarHBondContact O-N 2.76Å
267T82.2Confident76.1Confident86 Ų86124.1 Ų124.153%0.52861%0.605SS.*Hα-helixtrans-66.2-38.5175.6430000112.5S263 Q264 Q270 I271S263-T267 PolarHBondContact O-N 2.68Å; S263-T267 VanDerWaalsContact O-N 3.12Å; S263-T267 PolarHBondContact O-OG1 2.94Å; Q264-T267 WeakPolarHBondContact CA-OG1 3.48Å; Q264-T267 PolarHBondContact O-OG1 3.08Å; T267-Q270 WeakPolarHBondContact O-CB 2.98Å; T267-Q270 PolarHBondContact O-N 3.25Å; T267-I271 WeakPolarHBondContact O-CG1 3.38Å; T267-I271 PolarHBondContact O-N 3.05Å
268Q79.1Confident75.6Confident119 Ų119124.6 Ų124.656%0.55661%0.609SS**Hα-helixtrans-62.7-43.4172.8-75.5-179.3-0.200111.9Q264 V265 Q270 I271 F272Q264-Q268 WeakPolarHBondContact O-CB 3.28Å; Q264-Q268 WeakPolarHBondContact O-CG 3.48Å; Q264-Q268 PolarHBondContact O-N 2.64Å; V265-Q268 PolarHBondContact O-N 3.11Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.83Å; Q268-I271 PolarHBondContact O-N 2.84Å; Q268-I271 VanDerWaalsContact O-N 3.17Å; Q268-F272 WeakPolarHBondContact O-CD2 3.36Å; Q268-F272 PolarHBondContact O-N 2.92Å
269R71.4Confident75.2Confident171 Ų171125.9 Ų125.965%0.64561%0.613SS**Hα-helixtrans-61.7-34.6176.1-80.7-179.6172-177.4-2113.1V265 L266 I271 F272 I273V265-R269 WeakPolarHBondContact O-CB 3.26Å; V265-R269 WeakPolarHBondContact O-CG 3.34Å; V265-R269 PolarHBondContact O-N 3.07Å; L266-R269 PolarHBondContact O-N 3.33Å; R269-I271 VanDerWaalsContact C-N 3.3Å; R269-I271 PolarHBondContact O-N 3.24Å; R269-F272 PolarHBondContact O-N 3.11Å; R269-I273 WeakPolarHBondContact O-CD1 3.47Å; R269-I273 WeakPolarHBondContact O-CG1 3.35Å
270Q63.9Low74.8Confident141 Ų141126.3 Ų126.366%0.65962%0.616SS**Hα-helixtrans-64.1-36.2176.4-144.897.53100112L266 T267 Q268 F272 I273L266-Q270 PolarHBondContact O-N 2.76Å; T267-Q270 WeakPolarHBondContact O-CB 2.98Å; T267-Q270 PolarHBondContact O-N 3.25Å; Q268-Q270 VanDerWaalsContact C-N 3.28Å; Q268-Q270 PolarHBondContact O-N 2.83Å; Q270-F272 VanDerWaalsContact C-N 3.31Å; Q270-F272 PolarHBondContact O-N 3.07Å; Q270-I273 PolarHBondContact O-N 3.01Å
271I60.1Low74.1Confident121 Ų121122.6 Ų122.662%0.62161%0.612SS**Hα-helixtrans-72.5-22.5-179-64.6164.3000112.4T267 Q268 R269T267-I271 WeakPolarHBondContact O-CG1 3.38Å; T267-I271 PolarHBondContact O-N 3.05Å; Q268-I271 PolarHBondContact O-N 2.84Å; Q268-I271 VanDerWaalsContact O-N 3.17Å; R269-I271 VanDerWaalsContact C-N 3.3Å; R269-I271 PolarHBondContact O-N 3.24Å
272F56.5Low72.9Confident174 Ų174124.3 Ų124.376%0.76362%0.623SS**THydrogen-bonded Turntrans-93.25.3178.4-75.6-75.5000113.9Q268 R269 Q270Q268-F272 WeakPolarHBondContact O-CD2 3.36Å; Q268-F272 PolarHBondContact O-N 2.92Å; R269-F272 PolarHBondContact O-N 3.11Å; Q270-F272 VanDerWaalsContact C-N 3.31Å; Q270-F272 PolarHBondContact O-N 3.07Å
273I54.6Low71.7Confident140 Ų140125.8 Ų125.872%0.71863%0.629SS**  trans-106.6-9.4179.3-65.6170.4000112R269 Q270R269-I273 WeakPolarHBondContact O-CD1 3.47Å; R269-I273 WeakPolarHBondContact O-CG1 3.35Å; Q270-I273 PolarHBondContact O-N 3.01Å
274D44.1Very low70.3Confident205 Ų205130.7 Ų130.7100%1.09664%0.641SS**  trans-97.30165.8-69.4-29.9000110.9

Retrieved 274 of 274 residues in 83.2 ms (Link to these results)

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