A0A5K4FA37_SCHMA Loading...

GPI inositol-deacylase

Involved in inositol deacylation of GPI-anchored proteins which plays important roles in the quality control and ER-associated degradation of GPI-anchored proteins.

AlphaFold DB , UniProt , Accession A0A5K4FA37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 895 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
1M39.3Very low43Very low224 Ų224105.7 Ų105.7100%1.10355%0.545SS*.  0-34.30-91.1171.3163.400114Y3 T5M1-Y3 PolarHBondContact O-N 3.42Å; M1-T5 PolarHBondContact O-OG1 3.44Å
2G44.3Very low44.3Very low44 Ų44102.1 Ų102.145%0.45454%0.536SS..Hα-helixtrans-68.3-22.1179.200000117.4T5 I6G2-T5 VanDerWaalsContact C-OG1 3.29Å; G2-T5 PolarHBondContact O-OG1 3.44Å; G2-I6 WeakPolarHBondContact O-CD1 3.49Å; G2-I6 VanDerWaalsContact O-CG1 3.27Å; G2-I6 WeakPolarHBondContact O-CG1 3.42Å; G2-I6 PolarHBondContact O-N 3.42Å
3Y35.9Very low45.4Very low137 Ų137101.3 Ų101.354%0.53753%0.531SS..Hα-helixtrans-83.9-28-175.1-64.6-76000114.3M1 T5 I6 G7 I677M1-Y3 PolarHBondContact O-N 3.42Å; Y3-T5 VanDerWaalsContact C-N 3.33Å; Y3-I6 PolarHBondContact O-N 3Å; Y3-G7 PolarHBondContact O-N 3.05Å; Y3-I677 HydrophobicContact CD1-CD1 3.54Å; Y3-I677 HydrophobicContact CE1-CD1 3.94Å; Y3-I677 HydrophobicContact CG-CD1 4.05Å
4H39.4Very low46Very low143 Ų143100.8 Ų100.866%0.66253%0.529SS*.Hα-helixtrans-73.4-29176.1-122.7-50.4000112K8H4-K8 WeakPolarHBondContact O-CB 3.37Å; H4-K8 VanDerWaalsContact O-CG 3.29Å; H4-K8 WeakPolarHBondContact O-CG 3.37Å; H4-K8 PolarHBondContact O-N 3.47Å
5T43.7Very low47.3Very low85 Ų8599.7 Ų99.752%0.52152%0.523SS..Hα-helixtrans-69.3-43.617223.50000111.2M1 G2 Y3 K8 T9M1-T5 PolarHBondContact O-OG1 3.44Å; G2-T5 VanDerWaalsContact C-OG1 3.29Å; G2-T5 PolarHBondContact O-OG1 3.44Å; Y3-T5 VanDerWaalsContact C-N 3.33Å; T5-K8 PolarHBondContact O-N 2.99Å; T5-T9 PolarHBondContact O-N 3.19Å; T5-T9 PolarHBondContact O-OG1 3.49Å
6I41Very low48.8Very low62 Ų6298.4 Ų98.432%0.31852%0.524SS..Hα-helixtrans-63-48.1179.9-69.4168.3000111.8G2 Y3 K8 T9 Y10G2-I6 WeakPolarHBondContact O-CD1 3.49Å; G2-I6 VanDerWaalsContact O-CG1 3.27Å; G2-I6 WeakPolarHBondContact O-CG1 3.42Å; G2-I6 PolarHBondContact O-N 3.42Å; Y3-I6 PolarHBondContact O-N 3Å; I6-K8 VanDerWaalsContact C-N 3.35Å; I6-K8 PolarHBondContact O-N 3.01Å; I6-T9 VanDerWaalsContact CA-OG1 3.26Å; I6-T9 WeakPolarHBondContact CA-OG1 3.37Å; I6-T9 PolarHBondContact O-N 3.22Å; I6-T9 PolarHBondContact O-OG1 3.39Å; I6-Y10 HydrophobicContact CB-CE2 4.5Å; I6-Y10 HydrophobicContact CG2-CD2 3.55Å; I6-Y10 HydrophobicContact CG2-CE2 3.12Å; I6-Y10 WeakPolarHBondContact O-CD2 3.28Å; I6-Y10 PolarHBondContact O-N 3.43Å
7G39.7Very low49.7Very low42 Ų4297.6 Ų97.643%0.43352%0.519SS..Hα-helixtrans-63.2-37176.400000113.6Y3 Y10 F11Y3-G7 PolarHBondContact O-N 3.05Å; G7-Y10 PolarHBondContact O-N 3.35Å; G7-F11 PolarHBondContact O-N 3.37Å
8K47.3Very low50.6Low142 Ų14296.5 Ų96.562%0.61752%0.517SS*.Hα-helixtrans-66.5-45.1173.4-78.5-179.2177.8-174.60111.7H4 T5 I6 Y10 F11 S12H4-K8 WeakPolarHBondContact O-CB 3.37Å; H4-K8 VanDerWaalsContact O-CG 3.29Å; H4-K8 WeakPolarHBondContact O-CG 3.37Å; H4-K8 PolarHBondContact O-N 3.47Å; T5-K8 PolarHBondContact O-N 2.99Å; I6-K8 VanDerWaalsContact C-N 3.35Å; I6-K8 PolarHBondContact O-N 3.01Å; K8-Y10 VanDerWaalsContact C-N 3.3Å; K8-Y10 PolarHBondContact O-N 3.23Å; K8-F11 PolarHBondContact O-N 3.45Å; K8-S12 WeakPolarHBondContact O-CB 3.36Å; K8-S12 PolarHBondContact O-N 3.29Å; K8-S12 PolarHBondContact O-OG 2.85Å
9T47.6Very low52Low77 Ų7796.5 Ų96.547%0.47252%0.516SS..Hα-helixtrans-61.6-37.4176.341.20000112.2T5 I6 S12 I13T5-T9 PolarHBondContact O-N 3.19Å; T5-T9 PolarHBondContact O-OG1 3.49Å; I6-T9 VanDerWaalsContact CA-OG1 3.26Å; I6-T9 WeakPolarHBondContact CA-OG1 3.37Å; I6-T9 PolarHBondContact O-N 3.22Å; I6-T9 PolarHBondContact O-OG1 3.39Å; T9-S12 WeakPolarHBondContact O-CB 3.44Å; T9-S12 PolarHBondContact O-N 3.29Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 3.09Å
10Y45.3Very low53Low62 Ų6294.7 Ų94.724%0.24351%0.506CS..Hα-helixtrans-71.4-41.9177.4-74.5-58.2000113.8I6 G7 K8 S12 I13 N14 Y681I6-Y10 HydrophobicContact CB-CE2 4.5Å; I6-Y10 HydrophobicContact CG2-CD2 3.55Å; I6-Y10 HydrophobicContact CG2-CE2 3.12Å; I6-Y10 WeakPolarHBondContact O-CD2 3.28Å; I6-Y10 PolarHBondContact O-N 3.43Å; G7-Y10 PolarHBondContact O-N 3.35Å; K8-Y10 VanDerWaalsContact C-N 3.3Å; K8-Y10 PolarHBondContact O-N 3.23Å; Y10-S12 VanDerWaalsContact C-N 3.26Å; Y10-S12 PolarHBondContact O-N 3.11Å; Y10-I13 HydrophobicContact CD1-CD1 4.44Å; Y10-I13 PolarHBondContact O-N 3.27Å; Y10-N14 PolarHBondContact O-N 3.29Å; Y10-Y681 HydrophobicContact CE2-CE1 4.49Å
11F49.8Very low53.7Low145 Ų14592.3 Ų92.364%0.63649%0.493SS*.Hα-helixtrans-59.1-42.8171.7-179.3-97.9000110.4G7 K8 I13 L15G7-F11 PolarHBondContact O-N 3.37Å; K8-F11 PolarHBondContact O-N 3.45Å; F11-I13 PolarHBondContact O-N 3.42Å; F11-L15 HydrophobicContact CE1-CD2 4.14Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.47Å
12S58.4Low55.3Low62 Ų6286.7 Ų86.743%0.43447%0.467SS..Hα-helixtrans-61-42.9174.4-60.90000112.7K8 T9 Y10 L15 C16K8-S12 WeakPolarHBondContact O-CB 3.36Å; K8-S12 PolarHBondContact O-N 3.29Å; K8-S12 PolarHBondContact O-OG 2.85Å; T9-S12 WeakPolarHBondContact O-CB 3.44Å; T9-S12 PolarHBondContact O-N 3.29Å; Y10-S12 VanDerWaalsContact C-N 3.26Å; Y10-S12 PolarHBondContact O-N 3.11Å; S12-L15 PolarHBondContact O-N 2.84Å; S12-C16 WeakPolarHBondContact O-CB 3.31Å; S12-C16 PolarHBondContact O-N 3.3Å; S12-C16 PolarHBondContact O-SG 3.43Å
13I59Low56.9Low92 Ų9291.9 Ų91.947%0.47247%0.473SS..Hα-helixtrans-64.9-47.5178.8-69.9161.4000111.5T9 Y10 F11 L15 C16 L17T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 3.09Å; Y10-I13 HydrophobicContact CD1-CD1 4.44Å; Y10-I13 PolarHBondContact O-N 3.27Å; F11-I13 PolarHBondContact O-N 3.42Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 2.86Å; I13-C16 WeakPolarHBondContact O-CB 3.25Å; I13-C16 PolarHBondContact O-N 3.2Å; I13-L17 HydrophobicContact CG2-CD1 4.27Å; I13-L17 PolarHBondContact O-N 3.11Å
14N52.9Low58.6Low94 Ų9485.3 Ų85.350%0.50345%0.447SS..Hα-helixtrans-64.9-40.2177.9-79.9-41000111.7Y10 C16 L17 V18Y10-N14 PolarHBondContact O-N 3.29Å; N14-C16 VanDerWaalsContact C-N 3.33Å; N14-C16 PolarHBondContact O-N 2.98Å; N14-L17 PolarHBondContact O-N 3Å; N14-V18 WeakPolarHBondContact O-CG2 3.44Å; N14-V18 PolarHBondContact O-N 2.94Å
15L65.7Low60.2Low84 Ų8479.5 Ų79.544%0.4443%0.426SS..Hα-helixtrans-61.3-43.7173.7-17665000110.7F11 S12 I13 L17 V18 L19F11-L15 HydrophobicContact CE1-CD2 4.14Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.47Å; S12-L15 PolarHBondContact O-N 2.84Å; I13-L15 VanDerWaalsContact C-N 3.35Å; I13-L15 PolarHBondContact O-N 2.86Å; L15-L17 PolarHBondContact O-N 3.41Å; L15-V18 PolarHBondContact O-N 3.31Å; L15-L19 HydrophobicContact CD1-CD1 4.41Å; L15-L19 HydrophobicContact CD1-CG 4.42Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 VanDerWaalsContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.03Å
16C70.8Confident61.9Low80 Ų8079.1 Ų79.154%0.54142%0.423SS..Hα-helixtrans-60.8-41.2174.3-74.60000112.4S12 I13 N14 L19 L20S12-C16 WeakPolarHBondContact O-CB 3.31Å; S12-C16 PolarHBondContact O-N 3.3Å; S12-C16 PolarHBondContact O-SG 3.43Å; I13-C16 WeakPolarHBondContact O-CB 3.25Å; I13-C16 PolarHBondContact O-N 3.2Å; N14-C16 VanDerWaalsContact C-N 3.33Å; N14-C16 PolarHBondContact O-N 2.98Å; C16-L19 PolarHBondContact O-N 3.43Å; C16-L20 WeakPolarHBondContact O-CB 3.38Å; C16-L20 PolarHBondContact O-N 3.01Å
17L64Low63.6Low84 Ų8478 Ų7844%0.4442%0.417SS..Hα-helixtrans-65.1-45.2176.4-76.5169.2000111.9I13 N14 L15 L20 L21I13-L17 HydrophobicContact CG2-CD1 4.27Å; I13-L17 PolarHBondContact O-N 3.11Å; N14-L17 PolarHBondContact O-N 3Å; L15-L17 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.5Å
18V66.8Low65.1Low78 Ų7878.6 Ų78.647%0.47341%0.406SS..Hα-helixtrans-62.6-44.5175.9171.60000110.6N14 L15 L20 L21 L22N14-V18 WeakPolarHBondContact O-CG2 3.44Å; N14-V18 PolarHBondContact O-N 2.94Å; L15-V18 PolarHBondContact O-N 3.31Å; V18-L20 VanDerWaalsContact C-N 3.31Å; V18-L20 PolarHBondContact O-N 3.46Å; V18-L21 PolarHBondContact O-N 3.09Å; V18-L22 HydrophobicContact CG1-CD1 3.97Å; V18-L22 HydrophobicContact CG1-CG 4.38Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 VanDerWaalsContact O-CG 3.3Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.47Å
19L76.2Confident66.3Low96 Ų9679.4 Ų79.450%0.50341%0.406SS..Hα-helixtrans-63.1-37.7175.6-72.2173000111.8L15 C16 W23L15-L19 HydrophobicContact CD1-CD1 4.41Å; L15-L19 HydrophobicContact CD1-CG 4.42Å; L15-L19 HydrophobicContact CG-CD1 3.99Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 VanDerWaalsContact O-CB 3.31Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.03Å; C16-L19 PolarHBondContact O-N 3.43Å; L19-W23 WeakPolarHBondContact O-CB 3.47Å; L19-W23 PolarHBondContact O-N 3.02Å
20L72.7Confident67.7Low60 Ų6079.7 Ų79.731%0.31441%0.408SS..Hα-helixtrans-68-39.7176.1-174.8145.5000111.7C16 L17 V18 W23 S24 F627C16-L20 WeakPolarHBondContact O-CB 3.38Å; C16-L20 PolarHBondContact O-N 3.01Å; L17-L20 PolarHBondContact O-N 3.47Å; V18-L20 VanDerWaalsContact C-N 3.31Å; V18-L20 PolarHBondContact O-N 3.46Å; L20-W23 PolarHBondContact O-N 3.35Å; L20-S24 VanDerWaalsContact O-CB 3.27Å; L20-S24 WeakPolarHBondContact O-CB 3.29Å; L20-S24 PolarHBondContact O-N 3.47Å; L20-S24 PolarHBondContact O-OG 2.63Å; L20-F627 HydrophobicContact CD2-CD2 3.58Å; L20-F627 HydrophobicContact CD2-CE2 3.76Å; L20-F627 HydrophobicContact CD2-CG 4.07Å; L20-F627 HydrophobicContact CD2-CZ 4.36Å
21L67.9Low68.8Low45 Ų4581.6 Ų81.624%0.23642%0.422CS..Hα-helixtrans-66.6-44.4174.4-73.4170.4000111.5L17 V18 S24 G25 F627 I631 F638L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.5Å; V18-L21 PolarHBondContact O-N 3.09Å; L21-S24 PolarHBondContact O-N 3.06Å; L21-G25 PolarHBondContact O-N 2.77Å; L21-F627 HydrophobicContact CD2-CD1 3.94Å; L21-F627 HydrophobicContact CD2-CE1 4.34Å; L21-I631 HydrophobicContact CD2-CD1 4.47Å; L21-F638 HydrophobicContact CD1-CZ 4.11Å
22L72.3Confident69.6Low107 Ų10777.4 Ų77.456%0.5641%0.411SS*.Hα-helixtrans-61.4-46.4174.1-73.9172.3000110.8V18 S24 G25 V26V18-L22 HydrophobicContact CG1-CD1 3.97Å; V18-L22 HydrophobicContact CG1-CG 4.38Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 VanDerWaalsContact O-CG 3.3Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.47Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.92Å; L22-G25 PolarHBondContact O-N 3.4Å; L22-V26 WeakPolarHBondContact O-CB 3.22Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.25Å; L22-V26 PolarHBondContact O-N 3.35Å
23W78.5Confident70.4Confident152 Ų15276.6 Ų76.658%0.57640%0.4SS*.Hα-helixtrans-61-41.8175.9-178.3-99.4000111.4L19 L20 V26 H27L19-W23 WeakPolarHBondContact O-CB 3.47Å; L19-W23 PolarHBondContact O-N 3.02Å; L20-W23 PolarHBondContact O-N 3.35Å; W23-V26 PolarHBondContact O-N 2.82Å; W23-H27 WeakPolarHBondContact O-CA 3.18Å; W23-H27 WeakPolarHBondContact O-CB 3.2Å; W23-H27 PolarHBondContact O-N 2.94Å
24S72.2Confident71.4Confident0 Ų076.3 Ų76.30%041%0.406CS..Hα-helixtrans-66.6-38.6176.8-570000111.6L20 L21 L22 H27 W28 F627 S628L20-S24 VanDerWaalsContact O-CB 3.27Å; L20-S24 WeakPolarHBondContact O-CB 3.29Å; L20-S24 PolarHBondContact O-N 3.47Å; L20-S24 PolarHBondContact O-OG 2.63Å; L21-S24 PolarHBondContact O-N 3.06Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.92Å; S24-H27 PolarHBondContact O-N 2.93Å; S24-W28 VanDerWaalsContact O-CB 3.27Å; S24-W28 WeakPolarHBondContact O-CB 3.29Å; S24-W28 PolarHBondContact O-N 2.98Å; S24-F627 WeakPolarHBondContact OG-CB 3.32Å; S24-S628 PolarHBondContact O-OG 2.62Å
25G71.7Confident73Confident20 Ų2074.7 Ų74.721%0.20640%0.398CS..Hα-helixtrans-65.8-42173.700000112.6L21 L22 Y29L21-G25 PolarHBondContact O-N 2.77Å; L22-G25 PolarHBondContact O-N 3.4Å; G25-Y29 WeakPolarHBondContact O-CB 3.19Å; G25-Y29 PolarHBondContact O-N 3.26Å
26V79.1Confident74.1Confident77 Ų7773 Ų7347%0.46739%0.385SS..Hα-helixtrans-64.2-48.8173.9171.40000110.1L22 W23 W28 Y29 T30L22-V26 WeakPolarHBondContact O-CB 3.22Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.25Å; L22-V26 PolarHBondContact O-N 3.35Å; W23-V26 PolarHBondContact O-N 2.82Å; V26-W28 PolarHBondContact O-N 3.35Å; V26-Y29 CarbonylContact O-C 3.49Å; V26-Y29 WeakPolarHBondContact O-CA 3.34Å; V26-Y29 WeakPolarHBondContact O-CB 3.23Å; V26-Y29 PolarHBondContact O-N 3.42Å; V26-T30 HydrophobicContact CG1-CG2 4.1Å; V26-T30 WeakPolarHBondContact O-CG2 3.48Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.36Å
27H76.6Confident75.1Confident40 Ų4069.9 Ų69.919%0.18537%0.365CS..Hα-helixtrans-56.7-49.3177.8-175.2-79.5000110.7W23 S24 Y29 T30 D31 I624W23-H27 WeakPolarHBondContact O-CA 3.18Å; W23-H27 WeakPolarHBondContact O-CB 3.2Å; W23-H27 PolarHBondContact O-N 2.94Å; S24-H27 PolarHBondContact O-N 2.93Å; H27-Y29 PolarHBondContact O-N 3.32Å; H27-T30 WeakPolarHBondContact CA-OG1 3.38Å; H27-T30 PolarHBondContact O-N 3.22Å; H27-T30 VanDerWaalsContact O-N 3.16Å; H27-T30 PolarHBondContact O-OG1 3.41Å; H27-D31 IonicContact CE1-OD2 3.77Å; H27-D31 PolarHBondContact CE1-OD2 3.48Å; H27-D31 IonicContact ND1-OD2 2.79Å; H27-D31 IonicContact NE2-OD2 2.63Å; H27-D31 PolarHBondContact NE2-OD2 3.09Å; H27-D31 VanDerWaalsContact O-CB 3.3Å; H27-D31 WeakPolarHBondContact O-CB 3.4Å; H27-D31 PolarHBondContact O-N 3.38Å; H27-I624 HydrophobicContact CB-CG2 3.83Å
28W72.2Confident76.4Confident54 Ų5470.4 Ų70.421%0.20537%0.367CS..Hα-helixtrans-53.9-43172.6173.466.3000112.4S24 V26 R238 R632S24-W28 VanDerWaalsContact O-CB 3.27Å; S24-W28 WeakPolarHBondContact O-CB 3.29Å; S24-W28 PolarHBondContact O-N 2.98Å; V26-W28 PolarHBondContact O-N 3.35Å; W28-R238 HydrophobicContact CH2-CB 4.05Å; W28-R238 HydrophobicContact CH2-CG 4.2Å; W28-R238 HydrophobicContact CZ2-CB 3.83Å; W28-R238 HydrophobicContact CZ2-CG 3.67Å; W28-R238 PolarHBondContact O-NH2 3.04Å; W28-R632 HydrophobicContact CZ2-CB 4.23Å; W28-R632 HydrophobicContact CZ2-CG 3.82Å
29Y72.8Confident77.7Confident158 Ų15871.8 Ų71.862%0.6237%0.371SS*.Hα-helixtrans-72-32.4-179.6-170.8-94.8000112.7G25 V26 H27 R238G25-Y29 WeakPolarHBondContact O-CB 3.19Å; G25-Y29 PolarHBondContact O-N 3.26Å; V26-Y29 CarbonylContact O-C 3.49Å; V26-Y29 WeakPolarHBondContact O-CA 3.34Å; V26-Y29 WeakPolarHBondContact O-CB 3.23Å; V26-Y29 PolarHBondContact O-N 3.42Å; H27-Y29 PolarHBondContact O-N 3.32Å; Y29-R238 VanDerWaalsContact C-NH2 3.25Å; Y29-R238 VanDerWaalsContact CD2-NH1 3.32Å; Y29-R238 PolarHBondContact O-NH1 2.78Å; Y29-R238 PolarHBondContact O-NH2 2.98Å
30T75.8Confident78.5Confident84 Ų8467.4 Ų67.452%0.51535%0.348SS..Hα-helixtrans-89.8-34.8-177.755.70000113.5V26 H27 S32V26-T30 HydrophobicContact CG1-CG2 4.1Å; V26-T30 WeakPolarHBondContact O-CG2 3.48Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.36Å; H27-T30 WeakPolarHBondContact CA-OG1 3.38Å; H27-T30 PolarHBondContact O-N 3.22Å; H27-T30 VanDerWaalsContact O-N 3.16Å; H27-T30 PolarHBondContact O-OG1 3.41Å; T30-S32 PolarHBondContact O-N 3.44Å
31D68.6Low79.3Confident102 Ų10274.3 Ų74.355%0.54537%0.37SS..  trans-79.663.1175.4-92.111.8000110.4H27H27-D31 IonicContact CE1-OD2 3.77Å; H27-D31 PolarHBondContact CE1-OD2 3.48Å; H27-D31 IonicContact ND1-OD2 2.79Å; H27-D31 IonicContact NE2-OD2 2.63Å; H27-D31 PolarHBondContact NE2-OD2 3.09Å; H27-D31 VanDerWaalsContact O-CB 3.3Å; H27-D31 WeakPolarHBondContact O-CB 3.4Å; H27-D31 PolarHBondContact O-N 3.38Å
32S66.7Low80.3Confident57 Ų5775 Ų7540%0.39937%0.373SS..  trans-89.8132.9162.565.10000109.6T30 S34T30-S32 PolarHBondContact O-N 3.44Å; S32-S34 PolarHBondContact O-N 2.93Å
33E75.1Confident80.7Confident44 Ų4475.3 Ų75.321%0.20637%0.373CS..  trans-45.1139.2161.2-173.8-174.113700110.2R36 S235 R236 H572E33-R36 IonicContact OE1-CZ 3.79Å; E33-R36 VanDerWaalsContact OE1-CZ 3.22Å; E33-R36 IonicContact OE1-NE 3.99Å; E33-R36 PolarHBondContact OE1-NE 2.93Å; E33-R36 VanDerWaalsContact OE1-NE 3.16Å; E33-R36 IonicContact OE1-NH2 3.3Å; E33-R36 PolarHBondContact OE1-NH2 3.39Å; E33-R36 IonicContact OE2-NH2 2.98Å; E33-S235 PolarHBondContact OE2-OG 3.47Å; E33-R236 HydrophobicContact CB-CG 4.19Å; E33-R236 WeakPolarHBondContact O-CD 3.32Å; E33-R236 PolarHBondContact O-NH1 3Å; E33-H572 IonicContact OE2-CD2 2.7Å; E33-H572 IonicContact OE2-CE1 3.99Å; E33-H572 IonicContact OE2-NE2 3.93Å; E33-H572 PolarHBondContact OE2-NE2 3.49Å
34S80.2Confident80.9Confident86 Ų8672 Ų7260%0.60137%0.367SS*.  trans-61.5142.2177.657.10000111.8S32 R36S32-S34 PolarHBondContact O-N 2.93Å; S34-R36 PolarHBondContact O-N 2.87Å
35N86.9Confident81.7Confident61 Ų6180 Ų8033%0.32640%0.402SS..  trans-68119.5174.4-169.4-8.8000110.7C37 W278N35-C37 VanDerWaalsContact OD1-CB 3.31Å; N35-C37 WeakPolarHBondContact OD1-CB 3.35Å; N35-C37 PolarHBondContact OD1-N 3.42Å; N35-W278 VanDerWaalsContact ND2-CH2 3.27Å; N35-W278 WeakPolarHBondContact ND2-CH2 3.46Å
36R88.2Confident82.6Confident47 Ų4781 Ų8118%0.17741%0.405CS..  trans-102.3-0.9178.7-64.9-175.8-83.4-171.10.9113.3E33 S34 A269 Q281 Y573E33-R36 IonicContact OE1-CZ 3.79Å; E33-R36 VanDerWaalsContact OE1-CZ 3.22Å; E33-R36 IonicContact OE1-NE 3.99Å; E33-R36 PolarHBondContact OE1-NE 2.93Å; E33-R36 VanDerWaalsContact OE1-NE 3.16Å; E33-R36 IonicContact OE1-NH2 3.3Å; E33-R36 PolarHBondContact OE1-NH2 3.39Å; E33-R36 IonicContact OE2-NH2 2.98Å; S34-R36 PolarHBondContact O-N 2.87Å; R36-A269 HydrophobicContact CB-CB 3.83Å; R36-Q281 PolarHBondContact O-NE2 3.43Å; R36-Y573 PolarHBondContact NH1-O 3.43Å; R36-Y573 PolarHBondContact NH1-OH 2.95Å; R36-Y573 PolarHBondContact NH2-O 3.31Å
37C91.8Very high83.3Confident16 Ų1682.9 Ų82.911%0.10841%0.408CS..PPolyproline II helixtrans-76.3134.4178.2-78.60000111.8N35 C271 C275 W278 C279N35-C37 VanDerWaalsContact OD1-CB 3.31Å; N35-C37 WeakPolarHBondContact OD1-CB 3.35Å; N35-C37 PolarHBondContact OD1-N 3.42Å; C37-C271 PolarHBondContact SG-SG 3.14Å; C37-C275 VanDerWaalsContact CB-SG 3.54Å; C37-C275 VanDerWaalsContact SG-SG 3.63Å; C37-W278 HydrophobicContact CB-CZ3 4.06Å; C37-C279 HydrophobicContact CB-CB 3.64Å; C37-C279 WeakPolarHBondContact CB-SG 3.43Å; C37-C279 WeakPolarHBondContact SG-CB 3.43Å; C37-C279 CovalentContact SG-SG 2.05Å; C37-C279 PolarHBondContact SG-SG 3.47Å
38I92.7Very high84.1Confident94 Ų9483.2 Ų83.248%0.48241%0.408SS..PPolyproline II helixtrans-84.2134.4171.9-59.8169.5000107.4T40 L280I38-T40 PolarHBondContact O-N 3.38Å; I38-L280 HydrophobicContact CB-CB 4.18Å; I38-L280 HydrophobicContact CB-CD2 4.33Å; I38-L280 HydrophobicContact CG2-CB 4.37Å; I38-L280 HydrophobicContact CG2-CD2 3.83Å; I38-L280 WeakPolarHBondContact O-CB 3.39Å; I38-L280 PolarHBondContact O-N 3.31Å
39L93.3Very high85.1Confident107 Ų10783.3 Ų83.356%0.5641%0.413SS*.BIsolated β-bridgetrans-67.6131.6177.3-173.367.8000110.8W278L39-W278 HydrophobicContact CB-CE3 4.45Å; L39-W278 HydrophobicContact CD1-CB 4.3Å; L39-W278 HydrophobicContact CD1-CD2 3.76Å; L39-W278 HydrophobicContact CD1-CE3 3.51Å; L39-W278 HydrophobicContact CD1-CG 4.13Å; L39-W278 HydrophobicContact CD1-CZ3 4.06Å
40T93.4Very high86.2Confident4 Ų482.2 Ų82.23%0.02541%0.413CS..PPolyproline II helixtrans-60144.8169.341.80000112I38 M42 S94 T98 W278 L280 M283I38-T40 PolarHBondContact O-N 3.38Å; T40-M42 WeakPolarHBondContact O-CE 3.32Å; T40-S94 WeakPolarHBondContact OG1-CB 3.3Å; T40-S94 PolarHBondContact OG1-OG 3.41Å; T40-T98 HydrophobicContact CG2-CG2 3.94Å; T40-W278 VanDerWaalsContact CG2-O 3.31Å; T40-W278 WeakPolarHBondContact CG2-O 3.35Å; T40-W278 PolarHBondContact N-O 3.28Å; T40-W278 PolarHBondContact OG1-O 3.22Å; T40-L280 HydrophobicContact CG2-CB 3.99Å; T40-L280 HydrophobicContact CG2-CD1 3.88Å; T40-M283 HydrophobicContact CG2-CB 4.27Å; T40-M283 HydrophobicContact CG2-CG 3.92Å
41R89.5Confident87Confident206 Ų20679.4 Ų79.478%0.77740%0.396SS*.  trans-117.7141.8173.1-61.2-178.6-171.4175.72.2108.5T97R41-T97 WeakPolarHBondContact O-CG2 3.27Å
42M88Confident88.1Confident59 Ų5981.3 Ų81.329%0.29141%0.406SS..  trans-82.8134.6176.1-50.3-25.1110.500107.7T40 D44 R93 T97T40-M42 WeakPolarHBondContact O-CE 3.32Å; M42-D44 WeakPolarHBondContact CB-O 3.32Å; M42-R93 HydrophobicContact SD-CB 4.29Å; M42-R93 HydrophobicContact SD-CG 3.96Å; M42-T97 WeakPolarHBondContact CA-OG1 3.22Å; M42-T97 HydrophobicContact SD-CG2 3.8Å
43M80.5Confident89.3Confident113 Ų11379.6 Ų79.656%0.55739%0.393SS*.SBendtrans-79.8-27.7-179.2-65.4-64.8-70.500112.1T97 Q100M43-T97 PolarHBondContact N-OG1 2.84Å; M43-T97 VanDerWaalsContact N-OG1 3.12Å; M43-Q100 VanDerWaalsContact CB-CD 3.49Å; M43-Q100 HydrophobicContact CG-CB 4.15Å; M43-Q100 HydrophobicContact CG-CG 4.47Å
44D83.9Confident89.7Confident84 Ų8484.2 Ų84.245%0.44942%0.419SS..SBendtrans-142.2179.4175.2-151.6-20000109.9M42 E70M42-D44 WeakPolarHBondContact CB-O 3.32Å; D44-E70 HydrophobicContact CB-CB 4.26Å; D44-E70 HydrophobicContact CB-CG 4.34Å
45F88.4Confident89.3Confident168 Ų16882.2 Ų82.274%0.73740%0.404SS*.  trans-68.7125.7174-72.2-81.6000110.8E47F45-E47 PolarHBondContact O-N 2.85Å
46P91.3Very high88.2Confident41 Ų4188 Ų8827%0.26643%0.427SS..  trans-77.1124.3-18029.9-33.9000111.2Y48 Y68P46-Y48 HydrophobicContact CB-CE2 4.06Å; P46-Y68 HydrophobicContact CB-CE2 3.57Å
47E92.7Very high86.4Confident115 Ų11597.9 Ų97.954%0.53746%0.464SS..EExtended strand (participates in β ladder)trans-105.8145.4173.3-66-179.4175.300110.4F45 R69F45-E47 PolarHBondContact O-N 2.85Å; E47-R69 HydrophobicContact CB-CB 4.36Å; E47-R69 PolarHBondContact N-O 2.77Å; E47-R69 PolarHBondContact O-N 3.02Å
48Y93.9Very high84.5Confident47 Ų47106.2 Ų106.218%0.18450%0.499CS..EExtended strand (participates in β ladder)trans-128.898.1-179.5-62-91000108.8P46 Q67 Y68 F89 K90 V92P46-Y48 HydrophobicContact CB-CE2 4.06Å; Y48-Q67 WeakPolarHBondContact CA-O 3.4Å; Y48-Y68 HydrophobicContact CD1-CD2 4.18Å; Y48-Y68 AromaticContact CE1-CD2 3.63Å; Y48-Y68 HydrophobicContact CE1-CD2 3.63Å; Y48-Y68 HydrophobicContact CE1-CE2 4.17Å; Y48-Y68 AromaticContact CZ-CD2 3.92Å; Y48-Y68 AromaticContact CZ-CE2 3.99Å; Y48-F89 AromaticContact CD1-CD2 3.77Å; Y48-F89 HydrophobicContact CD1-CD2 3.77Å; Y48-F89 AromaticContact CD1-CE2 3.59Å; Y48-F89 HydrophobicContact CD1-CE2 3.59Å; Y48-F89 HydrophobicContact CD2-CE2 4.41Å; Y48-F89 HydrophobicContact CE1-CD2 4.07Å; Y48-F89 HydrophobicContact CE1-CE2 4.13Å; Y48-F89 HydrophobicContact CG-CD2 4.39Å; Y48-F89 AromaticContact CG-CE2 3.74Å; Y48-F89 HydrophobicContact CG-CE2 3.74Å; Y48-K90 HydrophobicContact CE1-CB 4.34Å; Y48-K90 HydrophobicContact CE1-CG 4.19Å; Y48-K90 HydrophobicContact CE2-CB 4.46Å; Y48-K90 HydrophobicContact CE2-CG 4.02Å; Y48-K90 VanDerWaalsContact OH-CA 3.3Å; Y48-K90 WeakPolarHBondContact OH-CA 3.35Å; Y48-K90 WeakPolarHBondContact OH-CB 3.46Å; Y48-K90 PolarHBondContact OH-O 1.97Å; Y48-V92 HydrophobicContact CE1-CG1 4.23Å
49D93.7Very high82.9Confident57 Ų57103.2 Ų103.231%0.30549%0.485SS..EExtended strand (participates in β ladder)trans-84.8119.2-179.9-71.1-23.9000109.5V51 Y66 Q67 R69D49-V51 PolarHBondContact O-N 2.6Å; D49-Y66 CarbonylContact O-C 3.47Å; D49-Y66 VanDerWaalsContact O-CA 3.32Å; D49-Y66 WeakPolarHBondContact O-CA 3.49Å; D49-Q67 HydrophobicContact CB-CB 4.47Å; D49-Q67 PolarHBondContact N-O 2.87Å; D49-Q67 PolarHBondContact O-N 3.37Å; D49-R69 VanDerWaalsContact OD2-CD 3.24Å; D49-R69 WeakPolarHBondContact OD2-CD 3.29Å; D49-R69 IonicContact OD2-CZ 2.63Å; D49-R69 IonicContact OD2-NE 3.67Å; D49-R69 PolarHBondContact OD2-NE 2.9Å; D49-R69 IonicContact OD2-NH1 3.85Å; D49-R69 PolarHBondContact OD2-NH1 3.25Å; D49-R69 IonicContact OD2-NH2 2.87Å
50E94.7Very high81.5Confident135 Ų135101.2 Ų101.263%0.63147%0.471SS*.EExtended strand (participates in β ladder)trans-68.1130.4177.7-167.5179.9164.300110.7Y66E50-Y66 HydrophobicContact CB-CD1 4.04Å; E50-Y66 HydrophobicContact CB-CE1 3.81Å; E50-Y66 HydrophobicContact CG-CD1 4.48Å; E50-Y66 HydrophobicContact CG-CE1 4.08Å
51V94.3Very high80.3Confident24 Ų24109.2 Ų109.215%0.14551%0.513CS..EExtended strand (participates in β ladder)trans-109.2119.6178-177.70000108.2D49 V53 L65 Q67 Y112 T141D49-V51 PolarHBondContact O-N 2.6Å; V51-V53 PolarHBondContact O-N 3.4Å; V51-L65 HydrophobicContact CB-CB 4.45Å; V51-L65 HydrophobicContact CB-CD2 3.91Å; V51-L65 HydrophobicContact CB-CG 4.07Å; V51-L65 HydrophobicContact CG1-CD2 3.98Å; V51-L65 PolarHBondContact N-O 3.45Å; V51-Q67 HydrophobicContact CG2-CB 4.17Å; V51-Y112 HydrophobicContact CG2-CD1 4.41Å; V51-Y112 HydrophobicContact CG2-CE1 4.07Å; V51-T141 HydrophobicContact CG1-CG2 3.83Å
52N91.6Very high80.1Confident143 Ų143101.7 Ų101.777%0.76550%0.499SS*.  trans-72.2113.7-175.8-162.31.7000110.8T141N52-T141 WeakPolarHBondContact O-CG2 3.01Å
53V91.1Very high80.4Confident20 Ų20100.2 Ų100.212%0.12149%0.49CS..  trans-93.1117.5176.5178.50000108.1V51 C55 L65 F134 K137 A138 T141V51-V53 PolarHBondContact O-N 3.4Å; V53-C55 VanDerWaalsContact C-N 3.31Å; V53-C55 PolarHBondContact O-N 3.19Å; V53-L65 HydrophobicContact CG2-CB 3.66Å; V53-L65 HydrophobicContact CG2-CD2 3.71Å; V53-L65 HydrophobicContact CG2-CG 4.34Å; V53-F134 HydrophobicContact CB-CE2 4.43Å; V53-F134 HydrophobicContact CG1-CE2 4.45Å; V53-F134 HydrophobicContact CG2-CZ 4.32Å; V53-K137 HydrophobicContact CG1-CB 3.67Å; V53-A138 HydrophobicContact CG2-CB 4.5Å; V53-T141 HydrophobicContact CG2-CG2 4.26Å
54D82.7Confident81.1Confident142 Ų14295.3 Ų95.376%0.75947%0.468SS*.  trans-70.592.3174.9-175.212000109.7
55C72.7Confident81.7Confident43 Ų4391.3 Ų91.329%0.29145%0.447SS..  trans-124.7127.8163.4-170.80000112.1V53 R57 C59V53-C55 VanDerWaalsContact C-N 3.31Å; V53-C55 PolarHBondContact O-N 3.19Å; C55-R57 PolarHBondContact O-N 2.92Å; C55-C59 HydrophobicContact CB-CB 3.3Å; C55-C59 WeakPolarHBondContact CB-SG 3.32Å; C55-C59 WeakPolarHBondContact SG-CB 3.38Å; C55-C59 CovalentContact SG-SG 1.97Å; C55-C59 PolarHBondContact SG-SG 3.28Å
56K64Low82.1Confident183 Ų18385.2 Ų85.280%0.79642%0.419SS*.  trans-50.6140.1170.5-65.3-180179.4176.80109.2K58 C59K56-K58 WeakPolarHBondContact O-CA 3.33Å; K56-K58 PolarHBondContact O-N 3.12Å; K56-C59 PolarHBondContact O-N 3.13Å
57R50.2Low82.2Confident255 Ų25584.2 Ų84.296%0.96241%0.411SS*.THydrogen-bonded Turntrans-32.2-14.6-176.8-73.2-178.1175.6169.8-1.7119.4C55C55-R57 PolarHBondContact O-N 2.92Å
58K52.8Low82.3Confident191 Ų19179.1 Ų79.183%0.8339%0.387SS*.THydrogen-bonded Turntrans-78.8-15.9169.6-78.3-170.9175.1-174.60114.7K56 Y60K56-K58 WeakPolarHBondContact O-CA 3.33Å; K56-K58 PolarHBondContact O-N 3.12Å; K58-Y60 VanDerWaalsContact O-CD1 3.31Å; K58-Y60 WeakPolarHBondContact O-CD1 3.44Å; K58-Y60 WeakPolarHBondContact O-CE1 3.23Å; K58-Y60 PolarHBondContact O-N 2.8Å
59C58.9Low82Confident30 Ų3081.4 Ų81.420%0.20340%0.395CS..SBendtrans-74.176.9165.8-72.70000109.7C55 K56C55-C59 HydrophobicContact CB-CB 3.3Å; C55-C59 WeakPolarHBondContact CB-SG 3.32Å; C55-C59 WeakPolarHBondContact SG-CB 3.38Å; C55-C59 CovalentContact SG-SG 1.97Å; C55-C59 PolarHBondContact SG-SG 3.28Å; K56-C59 PolarHBondContact O-N 3.13Å
60Y63.8Low81.6Confident66 Ų6679 Ų7926%0.25938%0.382SS..  trans54104.3136.3-46.1-53000116.3K58 G62 Y63 R130 D133K58-Y60 VanDerWaalsContact O-CD1 3.31Å; K58-Y60 WeakPolarHBondContact O-CD1 3.44Å; K58-Y60 WeakPolarHBondContact O-CE1 3.23Å; K58-Y60 PolarHBondContact O-N 2.8Å; Y60-G62 PolarHBondContact O-N 2.74Å; Y60-Y63 HydrophobicContact CD2-CD2 4.44Å; Y60-Y63 HydrophobicContact CD2-CE2 4.38Å; Y60-Y63 HydrophobicContact CG-CE2 4.42Å; Y60-Y63 PolarHBondContact O-N 2.99Å; Y60-R130 HydrophobicContact CD1-CB 4.2Å; Y60-R130 HydrophobicContact CD1-CG 3.54Å; Y60-R130 HydrophobicContact CD2-CB 4.22Å; Y60-R130 HydrophobicContact CD2-CG 3.44Å; Y60-R130 VanDerWaalsContact CD2-CG 3.44Å; Y60-R130 HydrophobicContact CE1-CB 3.74Å; Y60-R130 HydrophobicContact CE1-CG 3.62Å; Y60-R130 HydrophobicContact CE2-CB 3.8Å; Y60-R130 HydrophobicContact CE2-CG 3.56Å; Y60-R130 WeakPolarHBondContact CE2-O 3Å; Y60-R130 HydrophobicContact CG-CB 4.38Å; Y60-R130 HydrophobicContact CG-CG 3.4Å; Y60-D133 HydrophobicContact CE2-CB 3.91Å; Y60-D133 PolarHBondContact OH-OD2 3.23Å
61L67.8Low80.6Confident172 Ų17274.5 Ų74.590%0.90137%0.372SS*.THydrogen-bonded Turntrans-53.7109.3-178.3-99.183.1000111.3
62G86.2Confident79.2Confident48 Ų4879.3 Ų79.350%0.49541%0.407SS..THydrogen-bonded Turntrans104-0.2167.300000115.7Y60Y60-G62 PolarHBondContact O-N 2.74Å
63Y93.7Very high77.8Confident27 Ų2779 Ų7911%0.10640%0.395CS..  trans-76.1139.9173.4-67.7-0.2000111.1Y60 D115 F116 E119 R130 Q131 F134Y60-Y63 HydrophobicContact CD2-CD2 4.44Å; Y60-Y63 HydrophobicContact CD2-CE2 4.38Å; Y60-Y63 HydrophobicContact CG-CE2 4.42Å; Y60-Y63 PolarHBondContact O-N 2.99Å; Y63-D115 VanDerWaalsContact CA-O 3.23Å; Y63-D115 WeakPolarHBondContact CA-O 3.18Å; Y63-F116 HydrophobicContact CD1-CB 4.31Å; Y63-F116 HydrophobicContact CD1-CD1 4.37Å; Y63-F116 AromaticContact CD2-CD1 3.96Å; Y63-F116 HydrophobicContact CD2-CD1 3.96Å; Y63-F116 HydrophobicContact CD2-CE1 4.5Å; Y63-F116 HydrophobicContact CE1-CB 3.95Å; Y63-F116 HydrophobicContact CE1-CD1 4.34Å; Y63-F116 VanDerWaalsContact CE1-O 3.29Å; Y63-F116 WeakPolarHBondContact CE1-O 3.42Å; Y63-F116 AromaticContact CE2-CD1 3.9Å; Y63-F116 HydrophobicContact CE2-CD1 3.9Å; Y63-F116 HydrophobicContact CE2-CE1 4.47Å; Y63-F116 HydrophobicContact CG-CD1 4.19Å; Y63-E119 PolarHBondContact OH-OE2 3.34Å; Y63-R130 HydrophobicContact CE2-CG 3.63Å; Y63-R130 PolarHBondContact OH-NE 2.86Å; Y63-Q131 HydrophobicContact CE2-CG 3.99Å; Y63-Q131 WeakPolarHBondContact OH-CG 2.82Å; Y63-F134 HydrophobicContact CD2-CB 3.82Å; Y63-F134 HydrophobicContact CD2-CD1 4.3Å; Y63-F134 HydrophobicContact CD2-CD2 4.19Å; Y63-F134 AromaticContact CD2-CG 3.84Å; Y63-F134 HydrophobicContact CD2-CG 3.84Å; Y63-F134 HydrophobicContact CE2-CB 4.43Å; Y63-F134 HydrophobicContact CG-CG 4.47Å
64A94.6Very high76.3Confident10 Ų1085 Ų858%0.08343%0.425CS..EExtended strand (participates in β ladder)trans-141.4161.6-17900000111.5Y66 D115A64-Y66 HydrophobicContact CB-CD2 4.39Å; A64-Y66 HydrophobicContact CB-CE2 3.65Å; A64-D115 HydrophobicContact CB-CB 4.26Å; A64-D115 PolarHBondContact N-O 3.49Å; A64-D115 PolarHBondContact O-N 3.47Å
65L96.3Very high75.6Confident1 Ų179 Ų791%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-119.5131.4174.6175.366.5000108.2V51 V53 L80 V114 F134 A138 I142V51-L65 HydrophobicContact CB-CB 4.45Å; V51-L65 HydrophobicContact CB-CD2 3.91Å; V51-L65 HydrophobicContact CB-CG 4.07Å; V51-L65 HydrophobicContact CG1-CD2 3.98Å; V51-L65 PolarHBondContact N-O 3.45Å; V53-L65 HydrophobicContact CG2-CB 3.66Å; V53-L65 HydrophobicContact CG2-CD2 3.71Å; V53-L65 HydrophobicContact CG2-CG 4.34Å; L65-L80 HydrophobicContact CD1-CD1 3.95Å; L65-V114 HydrophobicContact CD1-CG1 4.15Å; L65-F134 HydrophobicContact CB-CZ 4.47Å; L65-A138 HydrophobicContact CD1-CB 4.28Å; L65-A138 HydrophobicContact CD2-CB 4.16Å; L65-I142 HydrophobicContact CD1-CD1 4.14Å; L65-I142 HydrophobicContact CD2-CD1 4.18Å; L65-I142 HydrophobicContact CD2-CG1 3.78Å
66Y96.3Very high75.8Confident40 Ų4080.9 Ų80.916%0.15740%0.4CS..EExtended strand (participates in β ladder)trans-122.7140.4178.6-64.7-83.2000111.1D49 E50 A64 F89 Y112 S113 D115D49-Y66 CarbonylContact O-C 3.47Å; D49-Y66 VanDerWaalsContact O-CA 3.32Å; D49-Y66 WeakPolarHBondContact O-CA 3.49Å; E50-Y66 HydrophobicContact CB-CD1 4.04Å; E50-Y66 HydrophobicContact CB-CE1 3.81Å; E50-Y66 HydrophobicContact CG-CD1 4.48Å; E50-Y66 HydrophobicContact CG-CE1 4.08Å; A64-Y66 HydrophobicContact CB-CD2 4.39Å; A64-Y66 HydrophobicContact CB-CE2 3.65Å; Y66-F89 HydrophobicContact CD1-CE2 4.27Å; Y66-F89 HydrophobicContact CD2-CD1 4.33Å; Y66-F89 AromaticContact CD2-CD2 3.52Å; Y66-F89 HydrophobicContact CD2-CD2 3.52Å; Y66-F89 HydrophobicContact CD2-CE1 4.34Å; Y66-F89 AromaticContact CD2-CE2 3.55Å; Y66-F89 HydrophobicContact CD2-CE2 3.55Å; Y66-F89 AromaticContact CD2-CG 3.92Å; Y66-F89 HydrophobicContact CD2-CG 3.92Å; Y66-F89 AromaticContact CD2-CZ 3.96Å; Y66-F89 HydrophobicContact CD2-CZ 3.96Å; Y66-F89 HydrophobicContact CE1-CE2 4.49Å; Y66-F89 HydrophobicContact CE1-CZ 4.49Å; Y66-F89 HydrophobicContact CE2-CD1 4.17Å; Y66-F89 HydrophobicContact CE2-CD2 4.07Å; Y66-F89 AromaticContact CE2-CE1 3.9Å; Y66-F89 HydrophobicContact CE2-CE1 3.9Å; Y66-F89 AromaticContact CE2-CE2 3.8Å; Y66-F89 HydrophobicContact CE2-CE2 3.8Å; Y66-F89 HydrophobicContact CE2-CG 4.24Å; Y66-F89 AromaticContact CE2-CZ 3.69Å; Y66-F89 HydrophobicContact CE2-CZ 3.69Å; Y66-F89 AromaticContact CG-CD2 3.97Å; Y66-F89 HydrophobicContact CG-CD2 3.97Å; Y66-F89 AromaticContact CG-CE2 3.79Å; Y66-F89 HydrophobicContact CG-CE2 3.79Å; Y66-F89 HydrophobicContact CG-CZ 4.46Å; Y66-F89 AromaticContact CZ-CZ 3.98Å; Y66-Y112 CarbonylContact O-C 3.48Å; Y66-Y112 VanDerWaalsContact O-CA 3.23Å; Y66-Y112 WeakPolarHBondContact O-CA 3.35Å; Y66-S113 PolarHBondContact N-O 3.02Å; Y66-S113 PolarHBondContact O-N 3.41Å; Y66-D115 HydrophobicContact CD2-CB 4.07Å; Y66-D115 HydrophobicContact CE2-CB 3.67Å
67Q94.9Very high76.9Confident19 Ų1973.2 Ų73.29%0.08937%0.369CS..EExtended strand (participates in β ladder)trans-92128.3163-172.5-179.813.100108.8Y48 D49 V51 R69 D110 Y112Y48-Q67 WeakPolarHBondContact CA-O 3.4Å; D49-Q67 HydrophobicContact CB-CB 4.47Å; D49-Q67 PolarHBondContact N-O 2.87Å; D49-Q67 PolarHBondContact O-N 3.37Å; V51-Q67 HydrophobicContact CG2-CB 4.17Å; Q67-R69 HydrophobicContact CG-CG 4.44Å; Q67-D110 PolarHBondContact NE2-OD1 3.46Å; Q67-Y112 HydrophobicContact CB-CD1 3.88Å; Q67-Y112 HydrophobicContact CB-CE1 3.68Å; Q67-Y112 HydrophobicContact CG-CD1 4.22Å; Q67-Y112 HydrophobicContact CG-CE1 3.83Å
68Y93.5Very high78.9Confident8 Ų861.2 Ų61.23%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-81.3134173.9-177.5-92.9000111P46 Y48 E70 V92 R93 A96 Y111P46-Y68 HydrophobicContact CB-CE2 3.57Å; Y48-Y68 HydrophobicContact CD1-CD2 4.18Å; Y48-Y68 AromaticContact CE1-CD2 3.63Å; Y48-Y68 HydrophobicContact CE1-CD2 3.63Å; Y48-Y68 HydrophobicContact CE1-CE2 4.17Å; Y48-Y68 AromaticContact CZ-CD2 3.92Å; Y48-Y68 AromaticContact CZ-CE2 3.99Å; Y68-E70 HydrophobicContact CE1-CB 4.31Å; Y68-E70 HydrophobicContact CE1-CG 3.72Å; Y68-E70 PolarHBondContact OH-OE1 3.35Å; Y68-V92 HydrophobicContact CD2-CG1 4.12Å; Y68-V92 HydrophobicContact CG-CG1 4.47Å; Y68-R93 HydrophobicContact CD2-CB 4.47Å; Y68-R93 HydrophobicContact CE2-CB 3.5Å; Y68-R93 VanDerWaalsContact CE2-CB 3.5Å; Y68-R93 WeakPolarHBondContact OH-CB 3.26Å; Y68-A96 HydrophobicContact CD1-CB 3.27Å; Y68-A96 HydrophobicContact CD2-CB 4.49Å; Y68-A96 HydrophobicContact CE1-CB 3.37Å; Y68-A96 HydrophobicContact CG-CB 3.84Å; Y68-Y111 WeakPolarHBondContact CB-O 3.43Å; Y68-Y111 PolarHBondContact N-O 3.01Å
69R88.7Confident81Confident95 Ų9552.1 Ų52.136%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-135.9141.1173.9-63.9-171.6179.1164.6-1.6112E47 D49 Q67E47-R69 HydrophobicContact CB-CB 4.36Å; E47-R69 PolarHBondContact N-O 2.77Å; E47-R69 PolarHBondContact O-N 3.02Å; D49-R69 VanDerWaalsContact OD2-CD 3.24Å; D49-R69 WeakPolarHBondContact OD2-CD 3.29Å; D49-R69 IonicContact OD2-CZ 2.63Å; D49-R69 IonicContact OD2-NE 3.67Å; D49-R69 PolarHBondContact OD2-NE 2.9Å; D49-R69 IonicContact OD2-NH1 3.85Å; D49-R69 PolarHBondContact OD2-NH1 3.25Å; D49-R69 IonicContact OD2-NH2 2.87Å; Q67-R69 HydrophobicContact CG-CG 4.44Å
70E84.1Confident82.8Confident6 Ų650.7 Ų50.73%0.02828%0.275CS..SBendtrans-135.3107.9165.8-84.3-178.5-179.300107.5D44 Y68 T97 Q100D44-E70 HydrophobicContact CB-CB 4.26Å; D44-E70 HydrophobicContact CB-CG 4.34Å; Y68-E70 HydrophobicContact CE1-CB 4.31Å; Y68-E70 HydrophobicContact CE1-CG 3.72Å; Y68-E70 PolarHBondContact OH-OE1 3.35Å; E70-T97 WeakPolarHBondContact OE1-CB 3.35Å; E70-T97 PolarHBondContact OE1-OG1 2.77Å; E70-T97 VanDerWaalsContact OE1-OG1 3.1Å; E70-T97 WeakPolarHBondContact OE2-CA 3.31Å; E70-T97 WeakPolarHBondContact OE2-CB 3.33Å; E70-T97 PolarHBondContact OE2-OG1 3.4Å; E70-Q100 PolarHBondContact OE2-NE2 3.19Å
71G74.8Confident84.4Confident42 Ų4247.8 Ų47.843%0.43326%0.263SS..SBendtrans68.8-172.2-175.400000114.3R73G71-R73 PolarHBondContact O-N 3.5Å
72S64.5Low85.9Confident125 Ų12539.6 Ų39.687%0.87422%0.221SC*.SBendtrans-97.783.9-174.361.70000111.7
73R63.2Low86.4Confident136 Ų13637.3 Ų37.351%0.51320%0.197SC..  trans-123.4138.4169.9-73.7-174.4177.8-179.41.9111.1G71 Y75G71-R73 PolarHBondContact O-N 3.5Å; R73-Y75 HydrophobicContact CB-CE1 4.14Å; R73-Y75 HydrophobicContact CB-CE2 3.98Å; R73-Y75 WeakPolarHBondContact O-CD2 3.48Å; R73-Y75 VanDerWaalsContact O-CE2 3.23Å; R73-Y75 WeakPolarHBondContact O-CE2 3.41Å
74L59Low86.4Confident145 Ų14536.2 Ų36.276%0.75919%0.194SC*.  trans-87118.2170.4-74165.3000107.7S108L74-S108 PolarHBondContact O-OG 2.83Å
75Y68Low86.3Confident18 Ų1837.4 Ų37.47%0.07120%0.202CC..  trans-104.6147.4-176.8-59.8-83.2000109.9R73 S108 L109 D110 R149R73-Y75 HydrophobicContact CB-CE1 4.14Å; R73-Y75 HydrophobicContact CB-CE2 3.98Å; R73-Y75 WeakPolarHBondContact O-CD2 3.48Å; R73-Y75 VanDerWaalsContact O-CE2 3.23Å; R73-Y75 WeakPolarHBondContact O-CE2 3.41Å; Y75-S108 CarbonylContact C-O 3.58Å; Y75-S108 WeakPolarHBondContact CA-O 3.48Å; Y75-S108 VanDerWaalsContact CA-OG 3.29Å; Y75-S108 WeakPolarHBondContact CA-OG 3.24Å; Y75-S108 VanDerWaalsContact CD1-CB 3.47Å; Y75-L109 WeakPolarHBondContact CD1-O 3.45Å; Y75-D110 WeakPolarHBondContact CB-OD1 3.47Å; Y75-D110 WeakPolarHBondContact CB-OD2 3.39Å; Y75-D110 VanDerWaalsContact CD2-OD1 3.28Å; Y75-D110 WeakPolarHBondContact CD2-OD1 3.45Å; Y75-D110 HydrophobicContact CG-CB 4.48Å; Y75-D110 VanDerWaalsContact O-OD2 3.08Å; Y75-R149 PolarHBondContact O-NH1 2.79Å; Y75-R149 PolarHBondContact O-NH2 2.99Å
76N76.5Confident86.1Confident82 Ų8242.8 Ų42.844%0.43923%0.227SC..  trans-119-21.8-164.3-73.3-25000115S108 R149N76-S108 PolarHBondContact N-O 3.32Å; N76-R149 PolarHBondContact OD1-NH1 3.44Å; N76-R149 VanDerWaalsContact OD1-NH1 3.08Å
77S87.1Confident85.9Confident22 Ų2241.7 Ų41.715%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-126.5118.8-178.1-65.50000111.2S108 D110 N294S77-S108 PolarHBondContact N-O 3.33Å; S77-D110 PolarHBondContact O-N 3.21Å; S77-N294 WeakPolarHBondContact CB-ND2 3.33Å; S77-N294 PolarHBondContact OG-ND2 3.22Å; S77-N294 PolarHBondContact OG-OD1 2.8Å
78P93.2Very high85.9Confident2 Ų242 Ų421%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-75.9138.2-174.629.3-34.2000112D110 Y112 I142 L143 Y146 P153 I156 V157P78-D110 CarbonylContact C-O 3.58Å; P78-Y112 HydrophobicContact CB-CD2 4.4Å; P78-Y112 HydrophobicContact CB-CE2 4.16Å; P78-I142 HydrophobicContact CB-CG2 3.59Å; P78-I142 HydrophobicContact CG-CG2 4.32Å; P78-L143 HydrophobicContact CG-CD2 4.17Å; P78-Y146 HydrophobicContact CB-CE2 3.99Å; P78-Y146 HydrophobicContact CG-CE2 4.19Å; P78-P153 HydrophobicContact CG-CB 4.35Å; P78-P153 HydrophobicContact CG-CG 4.04Å; P78-I156 HydrophobicContact CB-CD1 4.11Å; P78-I156 HydrophobicContact CB-CG1 3.98Å; P78-I156 HydrophobicContact CG-CB 4.29Å; P78-I156 HydrophobicContact CG-CD1 4.47Å; P78-I156 HydrophobicContact CG-CG1 4.06Å; P78-I156 WeakPolarHBondContact O-CG1 3.48Å; P78-V157 PolarHBondContact O-N 2.93Å; P78-V157 VanDerWaalsContact O-N 3.15Å
79V95Very high86Confident1 Ų142.6 Ų42.61%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-127.2122.6173.5-176.50000107.4L109 D110 Y111 Y112 V157 I159V79-L109 HydrophobicContact CG2-CB 4.22Å; V79-L109 HydrophobicContact CG2-CD2 4.12Å; V79-D110 PolarHBondContact N-O 3.35Å; V79-Y111 HydrophobicContact CB-CD1 3.94Å; V79-Y111 HydrophobicContact CB-CE1 4.06Å; V79-Y111 HydrophobicContact CG1-CD1 3.87Å; V79-Y111 HydrophobicContact CG1-CE1 3.78Å; V79-Y111 HydrophobicContact CG2-CE1 4.37Å; V79-Y111 WeakPolarHBondContact O-CA 3.3Å; V79-Y112 PolarHBondContact O-N 2.87Å; V79-V157 CarbonylContact C-O 3.56Å; V79-V157 WeakPolarHBondContact CA-O 3.34Å; V79-V157 HydrophobicContact CG1-CB 4.28Å; V79-V157 HydrophobicContact CG1-CG1 4.28Å; V79-V157 HydrophobicContact CG2-CB 4.2Å; V79-I159 HydrophobicContact CG1-CD1 3.54Å; V79-I159 HydrophobicContact CG1-CG1 3.85Å
80L97.7Very high86.4Confident0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-105.7118.8177.5-179.460.1000110.6L65 I82 V114 V135 I139 I142 I156 V157 L158 I159L65-L80 HydrophobicContact CD1-CD1 3.95Å; L80-I82 HydrophobicContact CD2-CD1 4.38Å; L80-I82 HydrophobicContact CD2-CG1 4.42Å; L80-I82 HydrophobicContact CG-CG1 4.18Å; L80-V114 HydrophobicContact CD1-CG1 4.07Å; L80-V135 HydrophobicContact CD2-CG1 4.21Å; L80-I139 HydrophobicContact CD2-CD1 4.42Å; L80-I139 HydrophobicContact CD2-CG1 3.76Å; L80-I142 HydrophobicContact CB-CD1 4.3Å; L80-I142 HydrophobicContact CD1-CD1 3.8Å; L80-I142 HydrophobicContact CD2-CD1 4.08Å; L80-I142 HydrophobicContact CG-CD1 4.29Å; L80-I156 HydrophobicContact CB-CD1 3.79Å; L80-I156 HydrophobicContact CB-CG1 4.4Å; L80-V157 PolarHBondContact N-O 3.42Å; L80-L158 HydrophobicContact CB-CD2 3.79Å; L80-L158 HydrophobicContact CD2-CD2 4.07Å; L80-L158 HydrophobicContact CG-CD2 4.37Å; L80-I159 PolarHBondContact O-N 3.49Å
81F98.2Very high86.8Confident4 Ų444.6 Ų44.62%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-93.8122.8173.5-178.1-96.9000111.4T91 V92 Y112 S113 V114 I159 H161 L277F81-T91 VanDerWaalsContact CE1-OG1 3.31Å; F81-T91 WeakPolarHBondContact CE1-OG1 3.39Å; F81-V92 HydrophobicContact CB-CB 4.11Å; F81-V92 HydrophobicContact CB-CG2 3.56Å; F81-V92 HydrophobicContact CD1-CB 3.94Å; F81-V92 HydrophobicContact CD1-CG2 4.3Å; F81-V92 HydrophobicContact CG-CB 4.05Å; F81-V92 HydrophobicContact CG-CG2 3.89Å; F81-Y112 PolarHBondContact N-O 3.41Å; F81-S113 WeakPolarHBondContact O-CA 3.32Å; F81-S113 PolarHBondContact O-OG 3.1Å; F81-V114 PolarHBondContact O-N 3.38Å; F81-I159 CarbonylContact C-O 3.57Å; F81-I159 WeakPolarHBondContact CA-O 3.3Å; F81-I159 HydrophobicContact CD2-CB 4.03Å; F81-I159 HydrophobicContact CD2-CG2 3.78Å; F81-I159 HydrophobicContact CE2-CG2 4.14Å; F81-H161 HydrophobicContact CE2-CB 4.24Å; F81-H161 HydrophobicContact CZ-CB 3.91Å; F81-L277 HydrophobicContact CE2-CD2 4Å; F81-L277 HydrophobicContact CZ-CD1 4.46Å; F81-L277 HydrophobicContact CZ-CD2 3.82Å
82I98.4Very high87.8Confident0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-111.4111.7-179.3-60.7163.5000108.5L80 V114 F116 V135 I159 H161 V167 I168L80-I82 HydrophobicContact CD2-CD1 4.38Å; L80-I82 HydrophobicContact CD2-CG1 4.42Å; L80-I82 HydrophobicContact CG-CG1 4.18Å; I82-V114 HydrophobicContact CB-CG2 4.16Å; I82-V114 HydrophobicContact CG1-CG2 3.98Å; I82-V114 HydrophobicContact CG2-CG2 4.08Å; I82-F116 HydrophobicContact CG2-CE2 3.69Å; I82-F116 HydrophobicContact CG2-CZ 3.92Å; I82-V135 HydrophobicContact CD1-CG1 3.64Å; I82-V135 HydrophobicContact CD1-CG2 4.04Å; I82-V135 HydrophobicContact CG1-CG2 4.23Å; I82-I159 PolarHBondContact N-O 2.98Å; I82-H161 PolarHBondContact O-N 2.83Å; I82-V167 HydrophobicContact CG2-CB 4.23Å; I82-V167 HydrophobicContact CG2-CG1 4.27Å; I82-I168 HydrophobicContact CD1-CD1 3.91Å; I82-I168 HydrophobicContact CD1-CG1 3.37Å
83T96.4Very high89.2Confident1 Ų142 Ų421%0.00621%0.207CC..  trans-70.6157.6-176.6-170.30000112.5G87 F116 G164T83-G87 VanDerWaalsContact CG2-O 3.28Å; T83-G87 WeakPolarHBondContact CG2-O 3.48Å; T83-G87 WeakPolarHBondContact OG1-CA 3.26Å; T83-G87 PolarHBondContact OG1-O 3.5Å; T83-F116 HydrophobicContact CG2-CD2 3.73Å; T83-F116 HydrophobicContact CG2-CE2 4.31Å; T83-G164 WeakPolarHBondContact O-CA 3.34Å
84G94.2Very high90.8Very high3 Ų335.9 Ų35.93%0.03119%0.185CC..  trans-81.2-173.6174.100000113.7Q86 G87 H161G84-Q86 PolarHBondContact O-N 3.47Å; G84-G87 PolarHBondContact O-N 3.4Å; G84-H161 VanDerWaalsContact CA-O 3.23Å; G84-H161 WeakPolarHBondContact CA-O 3.2Å; G84-H161 PolarHBondContact N-O 2.89Å
85S92.5Very high92.5Very high36 Ų3629.3 Ų29.325%0.25215%0.151SC..THydrogen-bonded Turntrans-57.4129.8175.6177.90000111.5G87 P120 S121 A122S85-G87 PolarHBondContact O-N 2.96Å; S85-G87 VanDerWaalsContact O-N 3.1Å; S85-P120 WeakPolarHBondContact OG-CA 3.31Å; S85-S121 PolarHBondContact OG-N 3.43Å; S85-A122 PolarHBondContact OG-N 3.5Å
86Q92.8Very high93.6Very high114 Ų11428.6 Ų28.653%0.53315%0.149SC..THydrogen-bonded Turntrans53.423.2-175-56.1177.3-0.900114.4G84 E118 E119 P120G84-Q86 PolarHBondContact O-N 3.47Å; Q86-E118 WeakPolarHBondContact CA-O 3.38Å; Q86-E119 PolarHBondContact N-O 3.45Å; Q86-P120 HydrophobicContact CG-CB 4.03Å
87G92.3Very high94.4Very high16 Ų1624.7 Ų24.717%0.16513%0.128CC..  trans-92.6135.6-178.400000111.6T83 G84 S85T83-G87 VanDerWaalsContact CG2-O 3.28Å; T83-G87 WeakPolarHBondContact CG2-O 3.48Å; T83-G87 WeakPolarHBondContact OG1-CA 3.26Å; T83-G87 PolarHBondContact OG1-O 3.5Å; G84-G87 PolarHBondContact O-N 3.4Å; S85-G87 PolarHBondContact O-N 2.96Å; S85-G87 VanDerWaalsContact O-N 3.1Å
88S94.9Very high94.6Very high27 Ų2723.8 Ų23.819%0.18912%0.122CC..  trans-76.8136.3174.8-170.30000111.8K90 T91 E118S88-K90 PolarHBondContact O-N 3.48Å; S88-K90 VanDerWaalsContact O-N 3.08Å; S88-K90 PolarHBondContact OG-N 2.86Å; S88-T91 WeakPolarHBondContact O-CB 3.23Å; S88-T91 WeakPolarHBondContact O-CG2 3.43Å; S88-T91 PolarHBondContact O-N 3.33Å; S88-T91 VanDerWaalsContact O-N 3.1Å; S88-T91 PolarHBondContact O-OG1 3.49Å; S88-E118 VanDerWaalsContact CB-OE1 3.32Å; S88-E118 WeakPolarHBondContact CB-OE1 3.44Å
89F95.3Very high94.3Very high19 Ų1924.4 Ų24.48%0.08313%0.125CC..G310 helixtrans-55-25.7170.969.6-86.8000112.9Y48 Y66 T91 V92 S113 V114 D115Y48-F89 AromaticContact CD1-CD2 3.77Å; Y48-F89 HydrophobicContact CD1-CD2 3.77Å; Y48-F89 AromaticContact CD1-CE2 3.59Å; Y48-F89 HydrophobicContact CD1-CE2 3.59Å; Y48-F89 HydrophobicContact CD2-CE2 4.41Å; Y48-F89 HydrophobicContact CE1-CD2 4.07Å; Y48-F89 HydrophobicContact CE1-CE2 4.13Å; Y48-F89 HydrophobicContact CG-CD2 4.39Å; Y48-F89 AromaticContact CG-CE2 3.74Å; Y48-F89 HydrophobicContact CG-CE2 3.74Å; Y66-F89 HydrophobicContact CD1-CE2 4.27Å; Y66-F89 HydrophobicContact CD2-CD1 4.33Å; Y66-F89 AromaticContact CD2-CD2 3.52Å; Y66-F89 HydrophobicContact CD2-CD2 3.52Å; Y66-F89 HydrophobicContact CD2-CE1 4.34Å; Y66-F89 AromaticContact CD2-CE2 3.55Å; Y66-F89 HydrophobicContact CD2-CE2 3.55Å; Y66-F89 AromaticContact CD2-CG 3.92Å; Y66-F89 HydrophobicContact CD2-CG 3.92Å; Y66-F89 AromaticContact CD2-CZ 3.96Å; Y66-F89 HydrophobicContact CD2-CZ 3.96Å; Y66-F89 HydrophobicContact CE1-CE2 4.49Å; Y66-F89 HydrophobicContact CE1-CZ 4.49Å; Y66-F89 HydrophobicContact CE2-CD1 4.17Å; Y66-F89 HydrophobicContact CE2-CD2 4.07Å; Y66-F89 AromaticContact CE2-CE1 3.9Å; Y66-F89 HydrophobicContact CE2-CE1 3.9Å; Y66-F89 AromaticContact CE2-CE2 3.8Å; Y66-F89 HydrophobicContact CE2-CE2 3.8Å; Y66-F89 HydrophobicContact CE2-CG 4.24Å; Y66-F89 AromaticContact CE2-CZ 3.69Å; Y66-F89 HydrophobicContact CE2-CZ 3.69Å; Y66-F89 AromaticContact CG-CD2 3.97Å; Y66-F89 HydrophobicContact CG-CD2 3.97Å; Y66-F89 AromaticContact CG-CE2 3.79Å; Y66-F89 HydrophobicContact CG-CE2 3.79Å; Y66-F89 HydrophobicContact CG-CZ 4.46Å; Y66-F89 AromaticContact CZ-CZ 3.98Å; F89-T91 PolarHBondContact O-N 3.21Å; F89-T91 VanDerWaalsContact O-N 3.12Å; F89-V92 WeakPolarHBondContact O-CG1 3.18Å; F89-V92 PolarHBondContact O-N 2.67Å; F89-S113 WeakPolarHBondContact CA-OG 3.41Å; F89-S113 WeakPolarHBondContact CB-OG 3.38Å; F89-S113 PolarHBondContact O-OG 2.79Å; F89-V114 WeakPolarHBondContact CB-O 3.45Å; F89-D115 HydrophobicContact CB-CB 4Å; F89-D115 HydrophobicContact CD1-CB 3.57Å; F89-D115 WeakPolarHBondContact CD1-OD2 3.22Å; F89-D115 HydrophobicContact CE1-CB 4.24Å; F89-D115 WeakPolarHBondContact CE1-OD2 3.3Å; F89-D115 HydrophobicContact CG-CB 3.96Å
90K95.7Very high93.9Very high104 Ų10426.6 Ų26.645%0.45214%0.135SC..G310 helixtrans-65-17179.9-62.5179.9-178.11740113.5Y48 S88 V92 R93Y48-K90 HydrophobicContact CE1-CB 4.34Å; Y48-K90 HydrophobicContact CE1-CG 4.19Å; Y48-K90 HydrophobicContact CE2-CB 4.46Å; Y48-K90 HydrophobicContact CE2-CG 4.02Å; Y48-K90 VanDerWaalsContact OH-CA 3.3Å; Y48-K90 WeakPolarHBondContact OH-CA 3.35Å; Y48-K90 WeakPolarHBondContact OH-CB 3.46Å; Y48-K90 PolarHBondContact OH-O 1.97Å; S88-K90 PolarHBondContact O-N 3.48Å; S88-K90 VanDerWaalsContact O-N 3.08Å; S88-K90 PolarHBondContact OG-N 2.86Å; K90-V92 PolarHBondContact O-N 2.88Å; K90-R93 WeakPolarHBondContact O-CB 3.33Å; K90-R93 WeakPolarHBondContact O-CD 3.45Å; K90-R93 WeakPolarHBondContact O-CG 3Å; K90-R93 PolarHBondContact O-N 3.4Å
91T94.1Very high93.4Very high40 Ų4030.4 Ų30.425%0.24516%0.155CC..G310 helixtrans-61.3-25.5179.752.80000113.4F81 S88 F89 R93 S94 L277F81-T91 VanDerWaalsContact CE1-OG1 3.31Å; F81-T91 WeakPolarHBondContact CE1-OG1 3.39Å; S88-T91 WeakPolarHBondContact O-CB 3.23Å; S88-T91 WeakPolarHBondContact O-CG2 3.43Å; S88-T91 PolarHBondContact O-N 3.33Å; S88-T91 VanDerWaalsContact O-N 3.1Å; S88-T91 PolarHBondContact O-OG1 3.49Å; F89-T91 PolarHBondContact O-N 3.21Å; F89-T91 VanDerWaalsContact O-N 3.12Å; T91-R93 PolarHBondContact O-N 2.87Å; T91-S94 PolarHBondContact O-N 3.04Å; T91-L277 HydrophobicContact CG2-CD1 4.23Å
92V95.3Very high92.8Very high2 Ų231.6 Ų31.61%0.01216%0.161CC..G310 helixtrans-56.2-24.5176.574.70000113.3Y48 Y68 F81 F89 K90 S94 L95 A96 Y111Y48-V92 HydrophobicContact CE1-CG1 4.23Å; Y68-V92 HydrophobicContact CD2-CG1 4.12Å; Y68-V92 HydrophobicContact CG-CG1 4.47Å; F81-V92 HydrophobicContact CB-CB 4.11Å; F81-V92 HydrophobicContact CB-CG2 3.56Å; F81-V92 HydrophobicContact CD1-CB 3.94Å; F81-V92 HydrophobicContact CD1-CG2 4.3Å; F81-V92 HydrophobicContact CG-CB 4.05Å; F81-V92 HydrophobicContact CG-CG2 3.89Å; F89-V92 WeakPolarHBondContact O-CG1 3.18Å; F89-V92 PolarHBondContact O-N 2.67Å; K90-V92 PolarHBondContact O-N 2.88Å; V92-S94 PolarHBondContact O-N 3.49Å; V92-S94 VanDerWaalsContact O-N 3.14Å; V92-L95 WeakPolarHBondContact O-CB 3.36Å; V92-L95 PolarHBondContact O-N 2.83Å; V92-A96 PolarHBondContact O-N 3.5Å; V92-Y111 HydrophobicContact CG2-CD1 4.12Å
93R94.6Very high92Very high109 Ų10936.2 Ų36.241%0.41119%0.19SC..Hα-helixtrans-52.2-38.9-177.670.1-171.1179.4169.8-0.7113.9M42 Y68 K90 T91 L95 A96 T97M42-R93 HydrophobicContact SD-CB 4.29Å; M42-R93 HydrophobicContact SD-CG 3.96Å; Y68-R93 HydrophobicContact CD2-CB 4.47Å; Y68-R93 HydrophobicContact CE2-CB 3.5Å; Y68-R93 VanDerWaalsContact CE2-CB 3.5Å; Y68-R93 WeakPolarHBondContact OH-CB 3.26Å; K90-R93 WeakPolarHBondContact O-CB 3.33Å; K90-R93 WeakPolarHBondContact O-CD 3.45Å; K90-R93 WeakPolarHBondContact O-CG 3Å; K90-R93 PolarHBondContact O-N 3.4Å; T91-R93 PolarHBondContact O-N 2.87Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.29Å; R93-A96 PolarHBondContact O-N 3.4Å; R93-T97 VanDerWaalsContact O-CB 3.26Å; R93-T97 WeakPolarHBondContact O-CB 3.42Å; R93-T97 VanDerWaalsContact O-CG2 3.22Å; R93-T97 WeakPolarHBondContact O-CG2 3.38Å; R93-T97 PolarHBondContact O-N 3.42Å
94S95.4Very high91.1Very high8 Ų842.3 Ų42.36%0.05622%0.219CC..Hα-helixtrans-65-36.6-178.3-67.60000111.7T40 T91 V92 T98 L277T40-S94 WeakPolarHBondContact OG1-CB 3.3Å; T40-S94 PolarHBondContact OG1-OG 3.41Å; T91-S94 PolarHBondContact O-N 3.04Å; V92-S94 PolarHBondContact O-N 3.49Å; V92-S94 VanDerWaalsContact O-N 3.14Å; S94-T98 WeakPolarHBondContact O-CG2 3.27Å; S94-L277 WeakPolarHBondContact CB-O 3.2Å; S94-L277 PolarHBondContact OG-O 3.3Å
95L94.6Very high90.1Very high7 Ų745.5 Ų45.54%0.03723%0.23CC..Hα-helixtrans-75.9-53.6174-174.864.8000109.2V92 R93 T97 T98 Y111 I159 M283 L286 N287V92-L95 WeakPolarHBondContact O-CB 3.36Å; V92-L95 PolarHBondContact O-N 2.83Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.29Å; L95-T97 PolarHBondContact O-N 2.82Å; L95-T98 PolarHBondContact O-N 3.5Å; L95-T98 PolarHBondContact O-OG1 3.33Å; L95-Y111 HydrophobicContact CD2-CD1 4.37Å; L95-Y111 HydrophobicContact CD2-CE1 3.65Å; L95-Y111 HydrophobicContact CG-CE1 3.84Å; L95-I159 HydrophobicContact CD2-CD1 3.42Å; L95-I159 VanDerWaalsContact CD2-CD1 3.42Å; L95-M283 VanDerWaalsContact CA-SD 3.59Å; L95-M283 HydrophobicContact CB-SD 3.65Å; L95-M283 HydrophobicContact CD1-CB 4.48Å; L95-M283 HydrophobicContact CD1-SD 3.58Å; L95-M283 VanDerWaalsContact CD1-SD 3.58Å; L95-M283 HydrophobicContact CG-SD 4.21Å; L95-L286 HydrophobicContact CD1-CB 4.18Å; L95-N287 WeakPolarHBondContact CD1-OD1 3.5Å; L95-N287 PolarHBondContact O-ND2 2.84Å
96A92.5Very high88.3Confident3 Ų349.5 Ų49.53%0.02526%0.259CS..Hα-helixtrans-61-40.1-173.100000113.4Y68 V92 R93 T98 I99 Y111Y68-A96 HydrophobicContact CD1-CB 3.27Å; Y68-A96 HydrophobicContact CD2-CB 4.49Å; Y68-A96 HydrophobicContact CE1-CB 3.37Å; Y68-A96 HydrophobicContact CG-CB 3.84Å; V92-A96 PolarHBondContact O-N 3.5Å; R93-A96 PolarHBondContact O-N 3.4Å; A96-T98 VanDerWaalsContact C-N 3.33Å; A96-T98 PolarHBondContact O-N 2.96Å; A96-I99 WeakPolarHBondContact O-CB 3.48Å; A96-I99 WeakPolarHBondContact O-CG2 3.33Å; A96-I99 PolarHBondContact O-N 3.43Å; A96-Y111 HydrophobicContact CB-CD1 4.36Å; A96-Y111 HydrophobicContact CB-CD2 3.67Å; A96-Y111 HydrophobicContact CB-CE2 4.27Å; A96-Y111 HydrophobicContact CB-CG 3.73Å
97T91.4Very high86.6Confident1 Ų145.6 Ų45.61%0.00624%0.244CC..Hα-helixtrans-66.3-33-179-162.10000112.8R41 M42 M43 E70 R93 L95 I99 Q100R41-T97 WeakPolarHBondContact O-CG2 3.27Å; M42-T97 WeakPolarHBondContact CA-OG1 3.22Å; M42-T97 HydrophobicContact SD-CG2 3.8Å; M43-T97 PolarHBondContact N-OG1 2.84Å; M43-T97 VanDerWaalsContact N-OG1 3.12Å; E70-T97 WeakPolarHBondContact OE1-CB 3.35Å; E70-T97 PolarHBondContact OE1-OG1 2.77Å; E70-T97 VanDerWaalsContact OE1-OG1 3.1Å; E70-T97 WeakPolarHBondContact OE2-CA 3.31Å; E70-T97 WeakPolarHBondContact OE2-CB 3.33Å; E70-T97 PolarHBondContact OE2-OG1 3.4Å; R93-T97 VanDerWaalsContact O-CB 3.26Å; R93-T97 WeakPolarHBondContact O-CB 3.42Å; R93-T97 VanDerWaalsContact O-CG2 3.22Å; R93-T97 WeakPolarHBondContact O-CG2 3.38Å; R93-T97 PolarHBondContact O-N 3.42Å; L95-T97 PolarHBondContact O-N 2.82Å; T97-I99 PolarHBondContact O-N 3.27Å; T97-I99 VanDerWaalsContact O-N 3.12Å; T97-Q100 WeakPolarHBondContact O-CB 3.07Å; T97-Q100 WeakPolarHBondContact O-CG 3.45Å; T97-Q100 PolarHBondContact O-N 3.44Å; T97-Q100 VanDerWaalsContact O-N 3.16Å
98T91.5Very high85.7Confident2 Ų245.9 Ų45.91%0.01224%0.243CC..Hα-helixtrans-71.3-13.5-174.459.70000112.9T40 S94 L95 A96 Q100 N101 L280 M283 L284 N287T40-T98 HydrophobicContact CG2-CG2 3.94Å; S94-T98 WeakPolarHBondContact O-CG2 3.27Å; L95-T98 PolarHBondContact O-N 3.5Å; L95-T98 PolarHBondContact O-OG1 3.33Å; A96-T98 VanDerWaalsContact C-N 3.33Å; A96-T98 PolarHBondContact O-N 2.96Å; T98-Q100 PolarHBondContact O-N 2.91Å; T98-Q100 VanDerWaalsContact O-N 3.16Å; T98-N101 WeakPolarHBondContact O-CB 3.4Å; T98-N101 PolarHBondContact O-N 2.77Å; T98-N101 VanDerWaalsContact O-N 3.07Å; T98-N101 PolarHBondContact O-ND2 3.38Å; T98-L280 HydrophobicContact CG2-CD1 3.74Å; T98-M283 HydrophobicContact CG2-CB 3.86Å; T98-L284 HydrophobicContact CG2-CD2 4.47Å; T98-N287 PolarHBondContact OG1-ND2 3.28Å
99I88.6Confident85.4Confident15 Ų1544.7 Ų44.78%0.07724%0.235CC..G310 helixtrans-57.2-28.3172.8-154.267.5000112A96 T97 N101 F102 L109 N287 L291A96-I99 WeakPolarHBondContact O-CB 3.48Å; A96-I99 WeakPolarHBondContact O-CG2 3.33Å; A96-I99 PolarHBondContact O-N 3.43Å; T97-I99 PolarHBondContact O-N 3.27Å; T97-I99 VanDerWaalsContact O-N 3.12Å; I99-N101 PolarHBondContact O-N 3.04Å; I99-F102 PolarHBondContact O-N 2.98Å; I99-F102 VanDerWaalsContact O-N 3.11Å; I99-L109 HydrophobicContact CD1-CD1 3.79Å; I99-L109 HydrophobicContact CD1-CG 4.33Å; I99-N287 HydrophobicContact CD1-CB 3.94Å; I99-N287 PolarHBondContact N-ND2 3.46Å; I99-N287 VanDerWaalsContact N-ND2 3.19Å; I99-L291 HydrophobicContact CD1-CD1 3.58Å; I99-L291 HydrophobicContact CD1-CD2 3.8Å; I99-L291 HydrophobicContact CD1-CG 3.63Å; I99-L291 HydrophobicContact CG1-CD1 4.45Å; I99-L291 HydrophobicContact CG1-CD2 4.49Å
100Q85.7Confident85.2Confident48 Ų4843.9 Ų43.922%0.22423%0.231CC..G310 helixtrans-65.7-19.1179.7-59.9-164.326.400113.3M43 E70 T97 T98 F102M43-Q100 VanDerWaalsContact CB-CD 3.49Å; M43-Q100 HydrophobicContact CG-CB 4.15Å; M43-Q100 HydrophobicContact CG-CG 4.47Å; E70-Q100 PolarHBondContact OE2-NE2 3.19Å; T97-Q100 WeakPolarHBondContact O-CB 3.07Å; T97-Q100 WeakPolarHBondContact O-CG 3.45Å; T97-Q100 PolarHBondContact O-N 3.44Å; T97-Q100 VanDerWaalsContact O-N 3.16Å; T98-Q100 PolarHBondContact O-N 2.91Å; T98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-F102 PolarHBondContact O-N 2.86Å
101N86.8Confident85.1Confident80 Ų8039.2 Ų39.243%0.42821%0.211SC..G310 helixtrans-73-2.7175.2-65.2-77.3000113.4T98 I99 P103 L284T98-N101 WeakPolarHBondContact O-CB 3.4Å; T98-N101 PolarHBondContact O-N 2.77Å; T98-N101 VanDerWaalsContact O-N 3.07Å; T98-N101 PolarHBondContact O-ND2 3.38Å; I99-N101 PolarHBondContact O-N 3.04Å; N101-P103 WeakPolarHBondContact O-CD 3.39Å; N101-L284 HydrophobicContact CB-CD2 3.81Å
102F86.1Confident85.3Confident29 Ų2937.5 Ų37.513%0.12720%0.2CC..  trans-122.155.9-175.7-60.8-71.2000112.2I99 Q100 Q104 Y105 L284 N287 K288 L291I99-F102 PolarHBondContact O-N 2.98Å; I99-F102 VanDerWaalsContact O-N 3.11Å; Q100-F102 PolarHBondContact O-N 2.86Å; F102-Q104 PolarHBondContact O-N 3.36Å; F102-Q104 VanDerWaalsContact O-N 3.11Å; F102-Y105 HydrophobicContact CB-CD2 3.85Å; F102-Y105 HydrophobicContact CB-CE2 4.38Å; F102-Y105 HydrophobicContact CD1-CE2 4.34Å; F102-Y105 PolarHBondContact O-N 3.4Å; F102-Y105 VanDerWaalsContact O-N 3.16Å; F102-L284 HydrophobicContact CE2-CD2 4.08Å; F102-L284 WeakPolarHBondContact CE2-O 3.32Å; F102-L284 HydrophobicContact CZ-CB 4.43Å; F102-L284 HydrophobicContact CZ-CD2 4.2Å; F102-L284 WeakPolarHBondContact CZ-O 3.16Å; F102-N287 HydrophobicContact CE2-CB 4.2Å; F102-K288 HydrophobicContact CE1-CB 4.04Å; F102-K288 HydrophobicContact CE1-CD 4.35Å; F102-K288 HydrophobicContact CE1-CG 4.36Å; F102-K288 HydrophobicContact CE2-CB 4.47Å; F102-K288 HydrophobicContact CZ-CB 3.86Å; F102-L291 HydrophobicContact CB-CD1 3.57Å; F102-L291 HydrophobicContact CD2-CD1 4.07Å; F102-L291 HydrophobicContact CG-CD1 3.93Å
103P81.5Confident85.4Confident96 Ų9637.5 Ų37.562%0.62320%0.2SC*.THydrogen-bonded Turntrans-63.2-19.8-175.629.3-37.5000113.8N101 Y105N101-P103 WeakPolarHBondContact O-CD 3.39Å; P103-Y105 VanDerWaalsContact C-N 3.26Å; P103-Y105 PolarHBondContact O-N 3.28Å
104Q77.8Confident85.5Confident129 Ų12932.3 Ų32.360%0.60318%0.18SC*.THydrogen-bonded Turntrans-69.5-21.3178.368.8-84.222.600113.5F102 S106F102-Q104 PolarHBondContact O-N 3.36Å; F102-Q104 VanDerWaalsContact O-N 3.11Å; Q104-S106 PolarHBondContact O-N 3.09Å
105Y72.4Confident85.5Confident70 Ų7032.9 Ų32.928%0.27518%0.183SC..  trans-86.4113.9175.9-66.3-91.8000108.9F102 P103 S107 L291 V292F102-Y105 HydrophobicContact CB-CD2 3.85Å; F102-Y105 HydrophobicContact CB-CE2 4.38Å; F102-Y105 HydrophobicContact CD1-CE2 4.34Å; F102-Y105 PolarHBondContact O-N 3.4Å; F102-Y105 VanDerWaalsContact O-N 3.16Å; P103-Y105 VanDerWaalsContact C-N 3.26Å; P103-Y105 PolarHBondContact O-N 3.28Å; Y105-S107 PolarHBondContact O-N 2.82Å; Y105-L291 HydrophobicContact CD1-CB 4.02Å; Y105-L291 HydrophobicContact CD2-CB 4.49Å; Y105-L291 HydrophobicContact CD2-CD1 3.85Å; Y105-L291 HydrophobicContact CE1-CB 4.33Å; Y105-L291 HydrophobicContact CE2-CD1 4.43Å; Y105-L291 HydrophobicContact CG-CB 4.09Å; Y105-L291 HydrophobicContact CG-CD1 3.97Å; Y105-L291 HydrophobicContact CG-CG 4.44Å; Y105-V292 HydrophobicContact CE1-CG2 3.95Å; Y105-V292 WeakPolarHBondContact OH-CG2 3.08Å
106S54.6Low85.5Confident121 Ų12132.7 Ų32.785%0.84618%0.181SC*.  trans-71.1-14.9175.649.20000113.1Q104Q104-S106 PolarHBondContact O-N 3.09Å
107S57.8Low85.6Confident31 Ų3137.6 Ų37.622%0.21721%0.207CC..PPolyproline II helixtrans-86.1118.5174.750.80000110.6Y105 L291Y105-S107 PolarHBondContact O-N 2.82Å; S107-L291 WeakPolarHBondContact O-CD2 3.44Å
108S74.2Confident85.6Confident22 Ų2242.4 Ų42.415%0.15423%0.23CC..PPolyproline II helixtrans-103.4119-17540.10000109L74 Y75 N76 S77L74-S108 PolarHBondContact O-OG 2.83Å; Y75-S108 CarbonylContact C-O 3.58Å; Y75-S108 WeakPolarHBondContact CA-O 3.48Å; Y75-S108 VanDerWaalsContact CA-OG 3.29Å; Y75-S108 WeakPolarHBondContact CA-OG 3.24Å; Y75-S108 VanDerWaalsContact CD1-CB 3.47Å; N76-S108 PolarHBondContact N-O 3.32Å; S77-S108 PolarHBondContact N-O 3.33Å
109L88.1Confident85.6Confident3 Ų344.8 Ų44.82%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-79.7133.2177.6-64.8174.9000110.9Y75 V79 I99 Y111 L290 L291Y75-L109 WeakPolarHBondContact CD1-O 3.45Å; V79-L109 HydrophobicContact CG2-CB 4.22Å; V79-L109 HydrophobicContact CG2-CD2 4.12Å; I99-L109 HydrophobicContact CD1-CD1 3.79Å; I99-L109 HydrophobicContact CD1-CG 4.33Å; L109-Y111 HydrophobicContact CB-CD2 4.41Å; L109-Y111 HydrophobicContact CB-CE2 3.74Å; L109-Y111 HydrophobicContact CD1-CE2 4.43Å; L109-Y111 WeakPolarHBondContact CD1-OH 3.23Å; L109-L290 HydrophobicContact CD1-CB 3.51Å; L109-L290 HydrophobicContact CD1-CD1 4.18Å; L109-L290 HydrophobicContact CD1-CG 4.49Å; L109-L291 HydrophobicContact CD1-CD2 4.22Å; L109-L291 HydrophobicContact CD1-CG 4.33Å; L109-L291 HydrophobicContact CG-CD2 4.08Å
110D90.6Very high85.7Confident1 Ų147.2 Ų47.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-98.1109.3179.3-117.8-29.4000109.6Q67 Y75 S77 P78 V79 Y112 Y146Q67-D110 PolarHBondContact NE2-OD1 3.46Å; Y75-D110 WeakPolarHBondContact CB-OD1 3.47Å; Y75-D110 WeakPolarHBondContact CB-OD2 3.39Å; Y75-D110 VanDerWaalsContact CD2-OD1 3.28Å; Y75-D110 WeakPolarHBondContact CD2-OD1 3.45Å; Y75-D110 HydrophobicContact CG-CB 4.48Å; Y75-D110 VanDerWaalsContact O-OD2 3.08Å; S77-D110 PolarHBondContact O-N 3.21Å; P78-D110 CarbonylContact C-O 3.58Å; V79-D110 PolarHBondContact N-O 3.35Å; D110-Y112 HydrophobicContact CB-CE2 4Å; D110-Y146 WeakPolarHBondContact CB-OH 3.28Å; D110-Y146 PolarHBondContact OD2-OH 3.23Å
111Y94.3Very high85.9Confident6 Ų645 Ų452%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-90.3124.7-179.3-70.3-90.7000111.1Y68 V79 V92 L95 A96 L109 N287Y68-Y111 WeakPolarHBondContact CB-O 3.43Å; Y68-Y111 PolarHBondContact N-O 3.01Å; V79-Y111 HydrophobicContact CB-CD1 3.94Å; V79-Y111 HydrophobicContact CB-CE1 4.06Å; V79-Y111 HydrophobicContact CG1-CD1 3.87Å; V79-Y111 HydrophobicContact CG1-CE1 3.78Å; V79-Y111 HydrophobicContact CG2-CE1 4.37Å; V79-Y111 WeakPolarHBondContact O-CA 3.3Å; V92-Y111 HydrophobicContact CG2-CD1 4.12Å; L95-Y111 HydrophobicContact CD2-CD1 4.37Å; L95-Y111 HydrophobicContact CD2-CE1 3.65Å; L95-Y111 HydrophobicContact CG-CE1 3.84Å; A96-Y111 HydrophobicContact CB-CD1 4.36Å; A96-Y111 HydrophobicContact CB-CD2 3.67Å; A96-Y111 HydrophobicContact CB-CE2 4.27Å; A96-Y111 HydrophobicContact CB-CG 3.73Å; L109-Y111 HydrophobicContact CB-CD2 4.41Å; L109-Y111 HydrophobicContact CB-CE2 3.74Å; L109-Y111 HydrophobicContact CD1-CE2 4.43Å; L109-Y111 WeakPolarHBondContact CD1-OH 3.23Å; Y111-N287 PolarHBondContact OH-OD1 3.48Å
112Y96.9Very high85.8Confident5 Ų543.1 Ų43.12%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-110.8153.3168-66.1-94.1000109.4V51 Y66 Q67 P78 V79 F81 D110 I142 Y146V51-Y112 HydrophobicContact CG2-CD1 4.41Å; V51-Y112 HydrophobicContact CG2-CE1 4.07Å; Y66-Y112 CarbonylContact O-C 3.48Å; Y66-Y112 VanDerWaalsContact O-CA 3.23Å; Y66-Y112 WeakPolarHBondContact O-CA 3.35Å; Q67-Y112 HydrophobicContact CB-CD1 3.88Å; Q67-Y112 HydrophobicContact CB-CE1 3.68Å; Q67-Y112 HydrophobicContact CG-CD1 4.22Å; Q67-Y112 HydrophobicContact CG-CE1 3.83Å; P78-Y112 HydrophobicContact CB-CD2 4.4Å; P78-Y112 HydrophobicContact CB-CE2 4.16Å; V79-Y112 PolarHBondContact O-N 2.87Å; F81-Y112 PolarHBondContact N-O 3.41Å; D110-Y112 HydrophobicContact CB-CE2 4Å; Y112-I142 HydrophobicContact CD1-CD1 4.25Å; Y112-I142 HydrophobicContact CD1-CG1 3.93Å; Y112-I142 HydrophobicContact CD2-CD1 4.28Å; Y112-I142 HydrophobicContact CD2-CG1 4.31Å; Y112-I142 HydrophobicContact CD2-CG2 3.9Å; Y112-I142 HydrophobicContact CE1-CG1 4.19Å; Y112-I142 HydrophobicContact CE2-CG2 3.67Å; Y112-I142 HydrophobicContact CG-CD1 3.89Å; Y112-I142 HydrophobicContact CG-CG1 3.99Å; Y112-I142 HydrophobicContact CG-CG2 4.42Å; Y112-Y146 HydrophobicContact CE2-CE2 4.35Å; Y112-Y146 WeakPolarHBondContact CE2-OH 3.31Å; Y112-Y146 PolarHBondContact OH-OH 2.88Å
113S97.6Very high85.7Confident2 Ų247 Ų471%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-141.1139.2172.5-172.20000111.4Y66 F81 F89Y66-S113 PolarHBondContact N-O 3.02Å; Y66-S113 PolarHBondContact O-N 3.41Å; F81-S113 WeakPolarHBondContact O-CA 3.32Å; F81-S113 PolarHBondContact O-OG 3.1Å; F89-S113 WeakPolarHBondContact CA-OG 3.41Å; F89-S113 WeakPolarHBondContact CB-OG 3.38Å; F89-S113 PolarHBondContact O-OG 2.79Å
114V96.7Very high86.1Confident0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-85.9136.5172-66.60000110.9L65 L80 F81 I82 F89 F116 F134 V135 A138L65-V114 HydrophobicContact CD1-CG1 4.15Å; L80-V114 HydrophobicContact CD1-CG1 4.07Å; F81-V114 PolarHBondContact O-N 3.38Å; I82-V114 HydrophobicContact CB-CG2 4.16Å; I82-V114 HydrophobicContact CG1-CG2 3.98Å; I82-V114 HydrophobicContact CG2-CG2 4.08Å; F89-V114 WeakPolarHBondContact CB-O 3.45Å; V114-F116 HydrophobicContact CB-CE1 4.04Å; V114-F116 HydrophobicContact CB-CZ 4.15Å; V114-F116 HydrophobicContact CG2-CD1 4.49Å; V114-F116 HydrophobicContact CG2-CD2 4.36Å; V114-F116 HydrophobicContact CG2-CE1 3.87Å; V114-F116 HydrophobicContact CG2-CE2 3.74Å; V114-F116 HydrophobicContact CG2-CZ 3.46Å; V114-F116 VanDerWaalsContact CG2-CZ 3.46Å; V114-F134 HydrophobicContact CB-CE1 4.25Å; V114-F134 HydrophobicContact CG1-CD1 4.22Å; V114-F134 HydrophobicContact CG1-CE1 3.91Å; V114-V135 HydrophobicContact CG1-CG2 4.32Å; V114-A138 HydrophobicContact CG1-CB 4.38Å
115D95.9Very high86.7Confident20 Ų2037.4 Ų37.411%0.10721%0.214CC..EExtended strand (participates in β ladder)trans-101.5114.1168.1-173.94.8000109Y63 A64 Y66 F89 N117Y63-D115 VanDerWaalsContact CA-O 3.23Å; Y63-D115 WeakPolarHBondContact CA-O 3.18Å; A64-D115 HydrophobicContact CB-CB 4.26Å; A64-D115 PolarHBondContact N-O 3.49Å; A64-D115 PolarHBondContact O-N 3.47Å; Y66-D115 HydrophobicContact CD2-CB 4.07Å; Y66-D115 HydrophobicContact CE2-CB 3.67Å; F89-D115 HydrophobicContact CB-CB 4Å; F89-D115 HydrophobicContact CD1-CB 3.57Å; F89-D115 WeakPolarHBondContact CD1-OD2 3.22Å; F89-D115 HydrophobicContact CE1-CB 4.24Å; F89-D115 WeakPolarHBondContact CE1-OD2 3.3Å; F89-D115 HydrophobicContact CG-CB 3.96Å; D115-N117 VanDerWaalsContact C-N 3.29Å; D115-N117 WeakPolarHBondContact OD1-CA 3.5Å; D115-N117 PolarHBondContact OD1-N 3.47Å
116F95Very high87.7Confident2 Ų240.9 Ų40.91%0.00923%0.233CC..  trans-9522.7174.2-61.1-45.1000112.5Y63 I82 T83 V114 E118 E119 Q131 F134 V135Y63-F116 HydrophobicContact CD1-CB 4.31Å; Y63-F116 HydrophobicContact CD1-CD1 4.37Å; Y63-F116 AromaticContact CD2-CD1 3.96Å; Y63-F116 HydrophobicContact CD2-CD1 3.96Å; Y63-F116 HydrophobicContact CD2-CE1 4.5Å; Y63-F116 HydrophobicContact CE1-CB 3.95Å; Y63-F116 HydrophobicContact CE1-CD1 4.34Å; Y63-F116 VanDerWaalsContact CE1-O 3.29Å; Y63-F116 WeakPolarHBondContact CE1-O 3.42Å; Y63-F116 AromaticContact CE2-CD1 3.9Å; Y63-F116 HydrophobicContact CE2-CD1 3.9Å; Y63-F116 HydrophobicContact CE2-CE1 4.47Å; Y63-F116 HydrophobicContact CG-CD1 4.19Å; I82-F116 HydrophobicContact CG2-CE2 3.69Å; I82-F116 HydrophobicContact CG2-CZ 3.92Å; T83-F116 HydrophobicContact CG2-CD2 3.73Å; T83-F116 HydrophobicContact CG2-CE2 4.31Å; V114-F116 HydrophobicContact CB-CE1 4.04Å; V114-F116 HydrophobicContact CB-CZ 4.15Å; V114-F116 HydrophobicContact CG2-CD1 4.49Å; V114-F116 HydrophobicContact CG2-CD2 4.36Å; V114-F116 HydrophobicContact CG2-CE1 3.87Å; V114-F116 HydrophobicContact CG2-CE2 3.74Å; V114-F116 HydrophobicContact CG2-CZ 3.46Å; V114-F116 VanDerWaalsContact CG2-CZ 3.46Å; F116-E118 PolarHBondContact O-N 3.46Å; F116-E118 VanDerWaalsContact O-N 3.13Å; F116-E119 WeakPolarHBondContact O-CB 3.4Å; F116-E119 PolarHBondContact O-N 2.97Å; F116-E119 VanDerWaalsContact O-N 3.12Å; F116-Q131 HydrophobicContact CB-CG 4.5Å; F116-Q131 HydrophobicContact CD1-CB 4.31Å; F116-Q131 HydrophobicContact CD1-CG 3.81Å; F116-Q131 HydrophobicContact CD2-CG 4.04Å; F116-Q131 HydrophobicContact CE1-CB 3.86Å; F116-Q131 HydrophobicContact CE1-CG 3.88Å; F116-Q131 HydrophobicContact CE2-CB 4.18Å; F116-Q131 HydrophobicContact CE2-CG 4.11Å; F116-Q131 HydrophobicContact CG-CG 3.89Å; F116-Q131 HydrophobicContact CZ-CB 3.78Å; F116-Q131 HydrophobicContact CZ-CG 4.03Å; F116-F134 HydrophobicContact CE1-CD1 4.05Å; F116-V135 HydrophobicContact CE1-CG2 4.14Å; F116-V135 HydrophobicContact CZ-CG2 3.72Å
117N93.2Very high89.5Confident106 Ų10636.2 Ų36.257%0.56720%0.198SC*.THydrogen-bonded Turntrans5335-176.8-169.337.7000112.2D115 E119D115-N117 VanDerWaalsContact C-N 3.29Å; D115-N117 WeakPolarHBondContact OD1-CA 3.5Å; D115-N117 PolarHBondContact OD1-N 3.47Å; N117-E119 PolarHBondContact O-N 3.06Å
118E91.5Very high91.3Very high103 Ų10334.7 Ų34.748%0.48119%0.187SC..THydrogen-bonded Turntrans49.533.9-178.1-58.4-177.4178.600114Q86 S88 F116Q86-E118 WeakPolarHBondContact CA-O 3.38Å; S88-E118 VanDerWaalsContact CB-OE1 3.32Å; S88-E118 WeakPolarHBondContact CB-OE1 3.44Å; F116-E118 PolarHBondContact O-N 3.46Å; F116-E118 VanDerWaalsContact O-N 3.13Å
119E92.1Very high92.3Very high51 Ų5135.4 Ų35.424%0.23819%0.188CC..  trans-67.8138.6-178.2-164171.9-153.700112.3Y63 Q86 F116 N117 S121 I127 R130Y63-E119 PolarHBondContact OH-OE2 3.34Å; Q86-E119 PolarHBondContact N-O 3.45Å; F116-E119 WeakPolarHBondContact O-CB 3.4Å; F116-E119 PolarHBondContact O-N 2.97Å; F116-E119 VanDerWaalsContact O-N 3.12Å; N117-E119 PolarHBondContact O-N 3.06Å; E119-S121 PolarHBondContact O-N 3Å; E119-I127 HydrophobicContact CG-CD1 4.1Å; E119-I127 HydrophobicContact CG-CG2 4.25Å; E119-I127 WeakPolarHBondContact OE2-CG2 3.23Å; E119-R130 IonicContact OE1-CZ 3.9Å; E119-R130 IonicContact OE1-NH2 3.58Å; E119-R130 PolarHBondContact OE1-NH2 3.4Å; E119-R130 IonicContact OE2-CZ 3.56Å; E119-R130 IonicContact OE2-NE 3.22Å; E119-R130 PolarHBondContact OE2-NE 3.02Å; E119-R130 IonicContact OE2-NH2 2.65Å; E119-R130 PolarHBondContact OE2-NH2 3.12Å
120P90.2Very high92.5Very high67 Ų6738.4 Ų38.444%0.43520%0.199SC..  trans-74.888.9178.129.4-35.3000112.5S85 Q86S85-P120 WeakPolarHBondContact OG-CA 3.31Å; Q86-P120 HydrophobicContact CG-CB 4.03Å
121S91.3Very high92.7Very high0 Ų038.4 Ų38.40%020%0.199CC..  trans-84.2-16.8-179.657.10000114.9S85 E119 L123 S124S85-S121 PolarHBondContact OG-N 3.43Å; E119-S121 PolarHBondContact O-N 3Å; S121-L123 PolarHBondContact O-N 3.22Å; S121-S124 PolarHBondContact O-N 3.45Å
122A85.1Confident92.8Very high41 Ų4138.1 Ų38.134%0.33920%0.198SC..THydrogen-bonded Turntrans-62.6-20.3-174.200000114.7S85 V163S85-A122 PolarHBondContact OG-N 3.5Å; A122-V163 HydrophobicContact CB-CG2 3.97Å
123L82.7Confident92.6Very high111 Ų11139.7 Ų39.758%0.58121%0.207SC*.THydrogen-bonded Turntrans-115.315.8-176.6-60.6177.4000113.1S121 I198 P200S121-L123 PolarHBondContact O-N 3.22Å; L123-I198 HydrophobicContact CD2-CD1 4.21Å; L123-P200 WeakPolarHBondContact O-CB 3.32Å; L123-P200 WeakPolarHBondContact O-CG 3.43Å
124S91Very high92.5Very high23 Ų2340 Ų4016%0.16121%0.208CC..  trans-149.3118.6179-1790000112.8S121 E126 I127 I128 D201S121-S124 PolarHBondContact O-N 3.45Å; S124-E126 VanDerWaalsContact C-N 3.32Å; S124-E126 PolarHBondContact OG-N 2.72Å; S124-I127 PolarHBondContact OG-N 2.88Å; S124-I128 PolarHBondContact O-N 3.28Å; S124-D201 WeakPolarHBondContact CA-OD2 3.28Å
125G89.7Confident92.5Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-66.8-33.217300000112.8I127 I128 E129 D201 I207G125-I127 VanDerWaalsContact C-N 3.33Å; G125-I127 PolarHBondContact O-N 2.91Å; G125-I128 WeakPolarHBondContact O-CB 3.46Å; G125-I128 PolarHBondContact O-N 2.94Å; G125-E129 PolarHBondContact O-N 2.81Å; G125-D201 PolarHBondContact N-OD2 3.47Å; G125-I207 WeakPolarHBondContact O-CD1 3.17Å
126E92.6Very high92.4Very high144 Ų14440.4 Ų40.467%0.67321%0.21SC*.Hα-helixtrans-64.5-36.9178.8-66-171.917000112.5S124 I128 E129 R130 S203S124-E126 VanDerWaalsContact C-N 3.32Å; S124-E126 PolarHBondContact OG-N 2.72Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-E129 PolarHBondContact O-N 2.83Å; E126-R130 PolarHBondContact O-N 2.81Å; E126-S203 PolarHBondContact N-OG 3.5Å
127I93.4Very high92.3Very high22 Ų2243.9 Ų43.911%0.11323%0.225CC..Hα-helixtrans-65.7-40.8175.3-64177.2000110.3E119 S124 G125 R130 Q131E119-I127 HydrophobicContact CG-CD1 4.1Å; E119-I127 HydrophobicContact CG-CG2 4.25Å; E119-I127 WeakPolarHBondContact OE2-CG2 3.23Å; S124-I127 PolarHBondContact OG-N 2.88Å; G125-I127 VanDerWaalsContact C-N 3.33Å; G125-I127 PolarHBondContact O-N 2.91Å; I127-R130 WeakPolarHBondContact O-CB 3.4Å; I127-R130 PolarHBondContact O-N 3.46Å; I127-Q131 HydrophobicContact CG2-CG 4.32Å; I127-Q131 WeakPolarHBondContact O-CG 3.46Å; I127-Q131 PolarHBondContact O-N 3.12Å
128I95Very high92.4Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-61.6-44.3176.9-66.7176.6000110.9S124 G125 E126 R130 Q131 T132 V163 I166 V167 M204 I207S124-I128 PolarHBondContact O-N 3.28Å; G125-I128 WeakPolarHBondContact O-CB 3.46Å; G125-I128 PolarHBondContact O-N 2.94Å; E126-I128 VanDerWaalsContact C-N 3.34Å; I128-R130 VanDerWaalsContact C-N 3.29Å; I128-R130 PolarHBondContact O-N 3.19Å; I128-Q131 PolarHBondContact O-N 3.1Å; I128-Q131 VanDerWaalsContact O-N 3.16Å; I128-T132 WeakPolarHBondContact O-CB 3.34Å; I128-T132 PolarHBondContact O-N 3.22Å; I128-T132 PolarHBondContact O-OG1 2.92Å; I128-T132 VanDerWaalsContact O-OG1 3.13Å; I128-V163 HydrophobicContact CD1-CG1 3.39Å; I128-V163 HydrophobicContact CG1-CG1 3.74Å; I128-I166 HydrophobicContact CD1-CG2 4.35Å; I128-V167 HydrophobicContact CG2-CG2 4.09Å; I128-M204 HydrophobicContact CD1-CE 3.46Å; I128-M204 VanDerWaalsContact CD1-CE 3.46Å; I128-M204 HydrophobicContact CD1-SD 3.65Å; I128-I207 HydrophobicContact CB-CD1 3.91Å; I128-I207 HydrophobicContact CG2-CD1 3.84Å
129E95Very high92.6Very high36 Ų3633.9 Ų33.917%0.16818%0.175CC..Hα-helixtrans-57-44.1176.2-74.9-79.1-147.700112.1G125 E126 T132 D133 N170 R175 I207 R210G125-E129 PolarHBondContact O-N 2.81Å; E126-E129 PolarHBondContact O-N 2.83Å; E129-T132 WeakPolarHBondContact O-CB 3.47Å; E129-T132 PolarHBondContact O-N 3.22Å; E129-D133 PolarHBondContact O-N 3.45Å; E129-N170 PolarHBondContact OE2-ND2 3.47Å; E129-R175 IonicContact OE2-NH2 3.92Å; E129-I207 HydrophobicContact CG-CD1 4.25Å; E129-R210 VanDerWaalsContact CD-NH2 3.28Å; E129-R210 IonicContact OE1-CZ 2.9Å; E129-R210 IonicContact OE1-NH1 2.77Å; E129-R210 PolarHBondContact OE1-NH1 3.43Å; E129-R210 IonicContact OE1-NH2 3.28Å; E129-R210 PolarHBondContact OE1-NH2 3.12Å; E129-R210 IonicContact OE2-NH2 3.82Å
130R93.1Very high92.7Very high66 Ų6634.5 Ų34.525%0.24918%0.18CC..Hα-helixtrans-63.5-44175.3146.8163.588.8-140.813.3112.4Y60 Y63 E119 E126 I127 I128 T132 D133 F134Y60-R130 HydrophobicContact CD1-CB 4.2Å; Y60-R130 HydrophobicContact CD1-CG 3.54Å; Y60-R130 HydrophobicContact CD2-CB 4.22Å; Y60-R130 HydrophobicContact CD2-CG 3.44Å; Y60-R130 VanDerWaalsContact CD2-CG 3.44Å; Y60-R130 HydrophobicContact CE1-CB 3.74Å; Y60-R130 HydrophobicContact CE1-CG 3.62Å; Y60-R130 HydrophobicContact CE2-CB 3.8Å; Y60-R130 HydrophobicContact CE2-CG 3.56Å; Y60-R130 WeakPolarHBondContact CE2-O 3Å; Y60-R130 HydrophobicContact CG-CB 4.38Å; Y60-R130 HydrophobicContact CG-CG 3.4Å; Y63-R130 HydrophobicContact CE2-CG 3.63Å; Y63-R130 PolarHBondContact OH-NE 2.86Å; E119-R130 IonicContact OE1-CZ 3.9Å; E119-R130 IonicContact OE1-NH2 3.58Å; E119-R130 PolarHBondContact OE1-NH2 3.4Å; E119-R130 IonicContact OE2-CZ 3.56Å; E119-R130 IonicContact OE2-NE 3.22Å; E119-R130 PolarHBondContact OE2-NE 3.02Å; E119-R130 IonicContact OE2-NH2 2.65Å; E119-R130 PolarHBondContact OE2-NH2 3.12Å; E126-R130 PolarHBondContact O-N 2.81Å; I127-R130 WeakPolarHBondContact O-CB 3.4Å; I127-R130 PolarHBondContact O-N 3.46Å; I128-R130 VanDerWaalsContact C-N 3.29Å; I128-R130 PolarHBondContact O-N 3.19Å; R130-T132 VanDerWaalsContact C-N 3.29Å; R130-T132 PolarHBondContact O-N 3.08Å; R130-D133 PolarHBondContact O-N 3.4Å; R130-F134 PolarHBondContact O-N 3.22Å
131Q95Very high92.9Very high1 Ų132.8 Ų32.81%0.00517%0.169CC..Hα-helixtrans-62-40.5176.4-73.3177.3-12.800110.6Y63 F116 I127 I128 F134 V135 V167Y63-Q131 HydrophobicContact CE2-CG 3.99Å; Y63-Q131 WeakPolarHBondContact OH-CG 2.82Å; F116-Q131 HydrophobicContact CB-CG 4.5Å; F116-Q131 HydrophobicContact CD1-CB 4.31Å; F116-Q131 HydrophobicContact CD1-CG 3.81Å; F116-Q131 HydrophobicContact CD2-CG 4.04Å; F116-Q131 HydrophobicContact CE1-CB 3.86Å; F116-Q131 HydrophobicContact CE1-CG 3.88Å; F116-Q131 HydrophobicContact CE2-CB 4.18Å; F116-Q131 HydrophobicContact CE2-CG 4.11Å; F116-Q131 HydrophobicContact CG-CG 3.89Å; F116-Q131 HydrophobicContact CZ-CB 3.78Å; F116-Q131 HydrophobicContact CZ-CG 4.03Å; I127-Q131 HydrophobicContact CG2-CG 4.32Å; I127-Q131 WeakPolarHBondContact O-CG 3.46Å; I127-Q131 PolarHBondContact O-N 3.12Å; I128-Q131 PolarHBondContact O-N 3.1Å; I128-Q131 VanDerWaalsContact O-N 3.16Å; Q131-F134 PolarHBondContact O-N 2.9Å; Q131-V135 WeakPolarHBondContact O-CG2 3.39Å; Q131-V135 PolarHBondContact O-N 3.28Å; Q131-V167 HydrophobicContact CB-CG1 4.15Å; Q131-V167 HydrophobicContact CB-CG2 3.89Å
132T95.7Very high93.1Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-59.6-46.2174.9-68.60000112.2I128 E129 R130 F134 V135 D136 V167 N170 L171 R175I128-T132 WeakPolarHBondContact O-CB 3.34Å; I128-T132 PolarHBondContact O-N 3.22Å; I128-T132 PolarHBondContact O-OG1 2.92Å; I128-T132 VanDerWaalsContact O-OG1 3.13Å; E129-T132 WeakPolarHBondContact O-CB 3.47Å; E129-T132 PolarHBondContact O-N 3.22Å; R130-T132 VanDerWaalsContact C-N 3.29Å; R130-T132 PolarHBondContact O-N 3.08Å; T132-F134 VanDerWaalsContact C-N 3.29Å; T132-F134 PolarHBondContact O-N 2.83Å; T132-V135 PolarHBondContact O-N 2.98Å; T132-D136 PolarHBondContact O-N 3.39Å; T132-V167 PolarHBondContact OG1-O 3.49Å; T132-N170 PolarHBondContact OG1-ND2 3.25Å; T132-L171 HydrophobicContact CG2-CB 3.85Å; T132-L171 HydrophobicContact CG2-CD1 4.11Å; T132-R175 HydrophobicContact CG2-CG 4.03Å
133D93.8Very high93.4Very high39 Ų3932.2 Ų32.221%0.20916%0.159CC..Hα-helixtrans-58.1-40.9176.7-74.4-28.2000112.3Y60 E129 R130 K137 R175Y60-D133 HydrophobicContact CE2-CB 3.91Å; Y60-D133 PolarHBondContact OH-OD2 3.23Å; E129-D133 PolarHBondContact O-N 3.45Å; R130-D133 PolarHBondContact O-N 3.4Å; D133-K137 PolarHBondContact O-N 3.1Å; D133-R175 IonicContact OD1-CZ 2.58Å; D133-R175 IonicContact OD1-NE 3.22Å; D133-R175 IonicContact OD1-NH1 2.86Å; D133-R175 PolarHBondContact OD1-NH1 3.18Å; D133-R175 IonicContact OD1-NH2 3.26Å; D133-R175 PolarHBondContact OD1-NH2 3.34Å; D133-R175 IonicContact OD2-NH2 3.16Å
134F94.7Very high93.9Very high8 Ų829.1 Ų29.14%0.03515%0.154CC..Hα-helixtrans-68.8-44178.4-179.1-97.8000111.7V53 Y63 L65 V114 F116 R130 Q131 T132 D136 K137 A138V53-F134 HydrophobicContact CB-CE2 4.43Å; V53-F134 HydrophobicContact CG1-CE2 4.45Å; V53-F134 HydrophobicContact CG2-CZ 4.32Å; Y63-F134 HydrophobicContact CD2-CB 3.82Å; Y63-F134 HydrophobicContact CD2-CD1 4.3Å; Y63-F134 HydrophobicContact CD2-CD2 4.19Å; Y63-F134 AromaticContact CD2-CG 3.84Å; Y63-F134 HydrophobicContact CD2-CG 3.84Å; Y63-F134 HydrophobicContact CE2-CB 4.43Å; Y63-F134 HydrophobicContact CG-CG 4.47Å; L65-F134 HydrophobicContact CB-CZ 4.47Å; V114-F134 HydrophobicContact CB-CE1 4.25Å; V114-F134 HydrophobicContact CG1-CD1 4.22Å; V114-F134 HydrophobicContact CG1-CE1 3.91Å; F116-F134 HydrophobicContact CE1-CD1 4.05Å; R130-F134 PolarHBondContact O-N 3.22Å; Q131-F134 PolarHBondContact O-N 2.9Å; T132-F134 VanDerWaalsContact C-N 3.29Å; T132-F134 PolarHBondContact O-N 2.83Å; F134-D136 VanDerWaalsContact C-N 3.29Å; F134-D136 PolarHBondContact O-N 2.8Å; F134-K137 PolarHBondContact O-N 2.73Å; F134-A138 HydrophobicContact CE1-CB 4.5Å; F134-A138 WeakPolarHBondContact O-CB 3.42Å; F134-A138 PolarHBondContact O-N 2.97Å
135V95.6Very high94Very high0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-60.8-39177.9171.20000111.4L80 I82 V114 F116 Q131 T132 K137 A138 I139 V167 L171L80-V135 HydrophobicContact CD2-CG1 4.21Å; I82-V135 HydrophobicContact CD1-CG1 3.64Å; I82-V135 HydrophobicContact CD1-CG2 4.04Å; I82-V135 HydrophobicContact CG1-CG2 4.23Å; V114-V135 HydrophobicContact CG1-CG2 4.32Å; F116-V135 HydrophobicContact CE1-CG2 4.14Å; F116-V135 HydrophobicContact CZ-CG2 3.72Å; Q131-V135 WeakPolarHBondContact O-CG2 3.39Å; Q131-V135 PolarHBondContact O-N 3.28Å; T132-V135 PolarHBondContact O-N 2.98Å; V135-K137 VanDerWaalsContact C-N 3.32Å; V135-K137 PolarHBondContact O-N 2.87Å; V135-A138 PolarHBondContact O-N 3.05Å; V135-I139 HydrophobicContact CG1-CD1 3.89Å; V135-I139 HydrophobicContact CG1-CG1 4.4Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.27Å; V135-V167 HydrophobicContact CB-CG1 4.38Å; V135-V167 HydrophobicContact CG2-CG1 3.85Å; V135-L171 HydrophobicContact CG1-CD2 4.05Å
136D94.7Very high94.1Very high28 Ų2831.5 Ų31.515%0.1517%0.168CC..Hα-helixtrans-54.5-48.8174.6-174.245.3000111.4T132 F134 I139 D140 L171 W176T132-D136 PolarHBondContact O-N 3.39Å; F134-D136 VanDerWaalsContact C-N 3.29Å; F134-D136 PolarHBondContact O-N 2.8Å; D136-I139 PolarHBondContact O-N 3.23Å; D136-D140 PolarHBondContact O-N 3.36Å; D136-L171 HydrophobicContact CB-CD1 3.52Å; D136-W176 PolarHBondContact OD1-NE1 3.18Å
137K93.9Very high93.9Very high75 Ų7527.6 Ų27.633%0.32616%0.16SC..Hα-helixtrans-69.9-35.8178.4-63.2-68.9154.7-131.90113.1V53 D133 F134 V135 I139 D140 T141V53-K137 HydrophobicContact CG1-CB 3.67Å; D133-K137 PolarHBondContact O-N 3.1Å; F134-K137 PolarHBondContact O-N 2.73Å; V135-K137 VanDerWaalsContact C-N 3.32Å; V135-K137 PolarHBondContact O-N 2.87Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 3.37Å; K137-D140 IonicContact NZ-OD2 3.98Å; K137-D140 PolarHBondContact O-N 3.02Å; K137-T141 WeakPolarHBondContact O-CB 3.4Å; K137-T141 PolarHBondContact O-N 3.33Å; K137-T141 PolarHBondContact O-OG1 2.88Å
138A95.3Very high93.6Very high0 Ų034.6 Ų34.60%020%0.198CC..Hα-helixtrans-61.3-42.8175.700000111.1V53 L65 V114 F134 V135 T141 I142V53-A138 HydrophobicContact CG2-CB 4.5Å; L65-A138 HydrophobicContact CD1-CB 4.28Å; L65-A138 HydrophobicContact CD2-CB 4.16Å; V114-A138 HydrophobicContact CG1-CB 4.38Å; F134-A138 HydrophobicContact CE1-CB 4.5Å; F134-A138 WeakPolarHBondContact O-CB 3.42Å; F134-A138 PolarHBondContact O-N 2.97Å; V135-A138 PolarHBondContact O-N 3.05Å; A138-T141 WeakPolarHBondContact O-CB 3.44Å; A138-T141 PolarHBondContact O-N 3.34Å; A138-I142 WeakPolarHBondContact O-CG1 3.39Å; A138-I142 PolarHBondContact O-N 2.77Å
139I95Very high93.1Very high0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-62.8-45.4178.9-70166.4000111.4L80 V135 D136 K137 T141 I142 L143 I156 L158 L171 W176 K182L80-I139 HydrophobicContact CD2-CD1 4.42Å; L80-I139 HydrophobicContact CD2-CG1 3.76Å; V135-I139 HydrophobicContact CG1-CD1 3.89Å; V135-I139 HydrophobicContact CG1-CG1 4.4Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.27Å; D136-I139 PolarHBondContact O-N 3.23Å; K137-I139 VanDerWaalsContact C-N 3.32Å; K137-I139 PolarHBondContact O-N 3.37Å; I139-T141 VanDerWaalsContact C-N 3.29Å; I139-T141 PolarHBondContact O-N 2.84Å; I139-I142 PolarHBondContact O-N 2.79Å; I139-L143 HydrophobicContact CG2-CD1 4.05Å; I139-L143 WeakPolarHBondContact O-CG 3.3Å; I139-L143 PolarHBondContact O-N 3.17Å; I139-I156 HydrophobicContact CG2-CG2 4.04Å; I139-L158 HydrophobicContact CD1-CD1 4.24Å; I139-L158 HydrophobicContact CD1-CD2 4Å; I139-L158 HydrophobicContact CG1-CD2 4.37Å; I139-L171 HydrophobicContact CD1-CD2 3.54Å; I139-W176 HydrophobicContact CB-CZ2 4.49Å; I139-W176 HydrophobicContact CD1-CH2 3.8Å; I139-W176 HydrophobicContact CD1-CZ2 3.86Å; I139-W176 HydrophobicContact CG2-CH2 4.13Å; I139-W176 HydrophobicContact CG2-CZ2 4.07Å; I139-K182 HydrophobicContact CG2-CD 4.19Å
140D93.2Very high92.4Very high64 Ų6442.6 Ų42.634%0.34224%0.243SC..Hα-helixtrans-58.5-43.4175-76.8-21.3000111.6D136 K137 G144 K182D136-D140 PolarHBondContact O-N 3.36Å; K137-D140 IonicContact NZ-OD2 3.98Å; K137-D140 PolarHBondContact O-N 3.02Å; D140-G144 PolarHBondContact O-N 3.36Å; D140-K182 IonicContact OD1-NZ 3.95Å; D140-K182 PolarHBondContact OD1-NZ 3.49Å
141T94.8Very high91.9Very high31 Ų3146.5 Ų46.519%0.1927%0.269CS..Hα-helixtrans-62.9-48.5178.9-56.10000110.9V51 N52 V53 K137 A138 I139 G144 T145V51-T141 HydrophobicContact CG1-CG2 3.83Å; N52-T141 WeakPolarHBondContact O-CG2 3.01Å; V53-T141 HydrophobicContact CG2-CG2 4.26Å; K137-T141 WeakPolarHBondContact O-CB 3.4Å; K137-T141 PolarHBondContact O-N 3.33Å; K137-T141 PolarHBondContact O-OG1 2.88Å; A138-T141 WeakPolarHBondContact O-CB 3.44Å; A138-T141 PolarHBondContact O-N 3.34Å; I139-T141 VanDerWaalsContact C-N 3.29Å; I139-T141 PolarHBondContact O-N 2.84Å; T141-G144 PolarHBondContact O-N 3.16Å; T141-T145 WeakPolarHBondContact O-CG2 3.4Å; T141-T145 PolarHBondContact O-N 3.44Å; T141-T145 VanDerWaalsContact O-N 3.12Å
142I95.2Very high91.4Very high0 Ų049.3 Ų49.30%029%0.287CS..Hα-helixtrans-58.4-54.7179.7-67.8162.9000110.1L65 P78 L80 Y112 A138 I139 G144 T145 Y146 I156L65-I142 HydrophobicContact CD1-CD1 4.14Å; L65-I142 HydrophobicContact CD2-CD1 4.18Å; L65-I142 HydrophobicContact CD2-CG1 3.78Å; P78-I142 HydrophobicContact CB-CG2 3.59Å; P78-I142 HydrophobicContact CG-CG2 4.32Å; L80-I142 HydrophobicContact CB-CD1 4.3Å; L80-I142 HydrophobicContact CD1-CD1 3.8Å; L80-I142 HydrophobicContact CD2-CD1 4.08Å; L80-I142 HydrophobicContact CG-CD1 4.29Å; Y112-I142 HydrophobicContact CD1-CD1 4.25Å; Y112-I142 HydrophobicContact CD1-CG1 3.93Å; Y112-I142 HydrophobicContact CD2-CD1 4.28Å; Y112-I142 HydrophobicContact CD2-CG1 4.31Å; Y112-I142 HydrophobicContact CD2-CG2 3.9Å; Y112-I142 HydrophobicContact CE1-CG1 4.19Å; Y112-I142 HydrophobicContact CE2-CG2 3.67Å; Y112-I142 HydrophobicContact CG-CD1 3.89Å; Y112-I142 HydrophobicContact CG-CG1 3.99Å; Y112-I142 HydrophobicContact CG-CG2 4.42Å; A138-I142 WeakPolarHBondContact O-CG1 3.39Å; A138-I142 PolarHBondContact O-N 2.77Å; I139-I142 PolarHBondContact O-N 2.79Å; I142-G144 PolarHBondContact O-N 3.31Å; I142-T145 WeakPolarHBondContact O-CB 3.49Å; I142-T145 PolarHBondContact O-N 3.49Å; I142-T145 PolarHBondContact O-OG1 3.13Å; I142-Y146 HydrophobicContact CG2-CE2 4.06Å; I142-Y146 WeakPolarHBondContact O-CD2 3.48Å; I142-Y146 WeakPolarHBondContact O-CE2 3.35Å; I142-I156 HydrophobicContact CB-CD1 4.31Å; I142-I156 HydrophobicContact CD1-CD1 3.91Å; I142-I156 HydrophobicContact CG2-CD1 3.89Å
143L93Very high91Very high28 Ų2850.6 Ų50.615%0.14730%0.295CS..Hα-helixtrans-61.6-36-179.3-66174.4000111.7P78 I139 T145 Y146 P153 I156 K182P78-L143 HydrophobicContact CG-CD2 4.17Å; I139-L143 HydrophobicContact CG2-CD1 4.05Å; I139-L143 WeakPolarHBondContact O-CG 3.3Å; I139-L143 PolarHBondContact O-N 3.17Å; L143-T145 VanDerWaalsContact C-N 3.27Å; L143-T145 PolarHBondContact O-N 3.03Å; L143-Y146 PolarHBondContact O-N 3.06Å; L143-Y146 VanDerWaalsContact O-N 3.1Å; L143-P153 WeakPolarHBondContact CD2-O 3.49Å; L143-I156 HydrophobicContact CD2-CB 4.41Å; L143-K182 HydrophobicContact CD1-CB 4.18Å; L143-K182 HydrophobicContact CD1-CD 3.88Å; L143-K182 HydrophobicContact CD1-CG 4.2Å
144G93.3Very high90.5Very high46 Ų4655.9 Ų55.947%0.47432%0.319SS..Hα-helixtrans-58.6-33.8173.500000113.9D140 T141 I142 Y146 A147D140-G144 PolarHBondContact O-N 3.36Å; T141-G144 PolarHBondContact O-N 3.16Å; I142-G144 PolarHBondContact O-N 3.31Å; G144-Y146 PolarHBondContact O-N 3.27Å; G144-A147 WeakPolarHBondContact O-CB 3.15Å; G144-A147 PolarHBondContact O-N 3.19Å
145T92Very high90.2Very high72 Ų7258.3 Ų58.344%0.44233%0.33SS..Hα-helixtrans-64.5-20.417768.10000113.6T141 I142 L143T141-T145 WeakPolarHBondContact O-CG2 3.4Å; T141-T145 PolarHBondContact O-N 3.44Å; T141-T145 VanDerWaalsContact O-N 3.12Å; I142-T145 WeakPolarHBondContact O-CB 3.49Å; I142-T145 PolarHBondContact O-N 3.49Å; I142-T145 PolarHBondContact O-OG1 3.13Å; L143-T145 VanDerWaalsContact C-N 3.27Å; L143-T145 PolarHBondContact O-N 3.03Å
146Y91.2Very high90.1Very high1 Ų158.4 Ų58.40%0.00433%0.331CS..THydrogen-bonded Turntrans-97.3-6.5179-61.3-94.2000114P78 D110 Y112 I142 L143 G144 N148 R149 P152 P153P78-Y146 HydrophobicContact CB-CE2 3.99Å; P78-Y146 HydrophobicContact CG-CE2 4.19Å; D110-Y146 WeakPolarHBondContact CB-OH 3.28Å; D110-Y146 PolarHBondContact OD2-OH 3.23Å; Y112-Y146 HydrophobicContact CE2-CE2 4.35Å; Y112-Y146 WeakPolarHBondContact CE2-OH 3.31Å; Y112-Y146 PolarHBondContact OH-OH 2.88Å; I142-Y146 HydrophobicContact CG2-CE2 4.06Å; I142-Y146 WeakPolarHBondContact O-CD2 3.48Å; I142-Y146 WeakPolarHBondContact O-CE2 3.35Å; L143-Y146 PolarHBondContact O-N 3.06Å; L143-Y146 VanDerWaalsContact O-N 3.1Å; G144-Y146 PolarHBondContact O-N 3.27Å; Y146-N148 PolarHBondContact O-N 3.44Å; Y146-R149 VanDerWaalsContact O-CB 3.31Å; Y146-R149 WeakPolarHBondContact O-CB 3.44Å; Y146-R149 PolarHBondContact O-N 3.04Å; Y146-P152 WeakPolarHBondContact O-CB 3.31Å; Y146-P153 HydrophobicContact CD1-CG 4.03Å; Y146-P153 HydrophobicContact CD2-CG 4.16Å; Y146-P153 HydrophobicContact CG-CG 3.81Å
147A89.4Confident90.1Very high62 Ų6258 Ų5851%0.51233%0.33SS..THydrogen-bonded Turntrans-55.7-30-17000000114.5G144 R149G144-A147 WeakPolarHBondContact O-CB 3.15Å; G144-A147 PolarHBondContact O-N 3.19Å; A147-R149 VanDerWaalsContact C-N 3.34Å
148N86.8Confident90.2Very high170 Ų17054.5 Ų54.591%0.90931%0.314SS*.THydrogen-bonded Turntrans-86.4-0.2-179.9-64.3-28000114Y146Y146-N148 PolarHBondContact O-N 3.44Å
149R83.6Confident90.4Very high78 Ų7854.5 Ų54.529%0.29431%0.314SS..SBendtrans-80.9150.6177.3-63-157.1-172.7-177.69.9110.2Y75 N76 Y146 A147 N151 P152Y75-R149 PolarHBondContact O-NH1 2.79Å; Y75-R149 PolarHBondContact O-NH2 2.99Å; N76-R149 PolarHBondContact OD1-NH1 3.44Å; N76-R149 VanDerWaalsContact OD1-NH1 3.08Å; Y146-R149 VanDerWaalsContact O-CB 3.31Å; Y146-R149 WeakPolarHBondContact O-CB 3.44Å; Y146-R149 PolarHBondContact O-N 3.04Å; A147-R149 VanDerWaalsContact C-N 3.34Å; R149-N151 PolarHBondContact O-N 3.01Å; R149-P152 WeakPolarHBondContact O-CD 3.36Å
150P82.4Confident90.5Very high126 Ų12654.5 Ų54.582%0.81831%0.314SS*.SBendtrans-59.5-32.7-175.318.4-30.1000113.8
151N81.1Confident90.7Very high148 Ų14852 Ų5279%0.79130%0.301SS*.SBendtrans-131.584.3174.1-66.6-34.3000108.2R149R149-N151 PolarHBondContact O-N 3.01Å
152P85.1Confident90.8Very high60 Ų6051.1 Ų51.139%0.3930%0.295SS..  trans-67.6138.2-179.628.5-31.6000109.7Y146 R149 E154Y146-P152 WeakPolarHBondContact O-CB 3.31Å; R149-P152 WeakPolarHBondContact O-CD 3.36Å; P152-E154 PolarHBondContact O-N 2.72Å
153P86.2Confident90.8Very high26 Ų2651.7 Ų51.717%0.16930%0.299CS..  trans-64.7122.917326.7-30.2000109.3P78 L143 Y146 H155P78-P153 HydrophobicContact CG-CB 4.35Å; P78-P153 HydrophobicContact CG-CG 4.04Å; L143-P153 WeakPolarHBondContact CD2-O 3.49Å; Y146-P153 HydrophobicContact CD1-CG 4.03Å; Y146-P153 HydrophobicContact CD2-CG 4.16Å; Y146-P153 HydrophobicContact CG-CG 3.81Å; P153-H155 VanDerWaalsContact C-N 3.29Å
154E83.6Confident91Very high151 Ų15150.3 Ų50.371%0.70629%0.292SS*.SBendtrans-80.2-14.6175.2-64.6-175.6170.800112.7P152P152-E154 PolarHBondContact O-N 2.72Å
155H89.2Confident91.3Very high58 Ų5848.1 Ų48.127%0.26927%0.269SS..  trans-129.6152.3-175.3-49.2-70.5000112P153 K182 K184P153-H155 VanDerWaalsContact C-N 3.29Å; H155-K182 CarbonylContact C-O 3.49Å; H155-K182 WeakPolarHBondContact CA-O 3.47Å; H155-K182 WeakPolarHBondContact CB-O 3.44Å; H155-K184 HydrophobicContact CB-CD 4.37Å; H155-K184 HydrophobicContact CB-CG 4.4Å; H155-K184 VanDerWaalsContact CD2-CE 3.49Å; H155-K184 WeakPolarHBondContact CD2-CE 3.43Å; H155-K184 PolarHBondContact CD2-NZ 3.24Å; H155-K184 VanDerWaalsContact CD2-NZ 3.25Å; H155-K184 VanDerWaalsContact CE1-CE 3.47Å; H155-K184 WeakPolarHBondContact CE1-CE 3.23Å; H155-K184 WeakPolarHBondContact NE2-CE 3.48Å; H155-K184 PolarHBondContact NE2-NZ 2.9Å
156I92.5Very high91.5Very high2 Ų244.8 Ų44.81%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-119.4145.3175.4-167.4166.8000110P78 L80 I139 I142 L143 L158 K182 V183P78-I156 HydrophobicContact CB-CD1 4.11Å; P78-I156 HydrophobicContact CB-CG1 3.98Å; P78-I156 HydrophobicContact CG-CB 4.29Å; P78-I156 HydrophobicContact CG-CD1 4.47Å; P78-I156 HydrophobicContact CG-CG1 4.06Å; P78-I156 WeakPolarHBondContact O-CG1 3.48Å; L80-I156 HydrophobicContact CB-CD1 3.79Å; L80-I156 HydrophobicContact CB-CG1 4.4Å; I139-I156 HydrophobicContact CG2-CG2 4.04Å; I142-I156 HydrophobicContact CB-CD1 4.31Å; I142-I156 HydrophobicContact CD1-CD1 3.91Å; I142-I156 HydrophobicContact CG2-CD1 3.89Å; L143-I156 HydrophobicContact CD2-CB 4.41Å; I156-L158 HydrophobicContact CG1-CD2 4.41Å; I156-L158 HydrophobicContact CG2-CD2 3.95Å; I156-L158 HydrophobicContact CG2-CG 4.48Å; I156-K182 PolarHBondContact N-O 3.24Å; I156-V183 HydrophobicContact CG2-CG2 3.81Å
157V94.6Very high91.8Very high21 Ų2144.7 Ų44.713%0.12725%0.248CC..EExtended strand (participates in β ladder)trans-89132.4168.4178.10000108.6P78 V79 L80 I159 L185 L290P78-V157 PolarHBondContact O-N 2.93Å; P78-V157 VanDerWaalsContact O-N 3.15Å; V79-V157 CarbonylContact C-O 3.56Å; V79-V157 WeakPolarHBondContact CA-O 3.34Å; V79-V157 HydrophobicContact CG1-CB 4.28Å; V79-V157 HydrophobicContact CG1-CG1 4.28Å; V79-V157 HydrophobicContact CG2-CB 4.2Å; L80-V157 PolarHBondContact N-O 3.42Å; V157-I159 HydrophobicContact CG1-CG1 4.36Å; V157-L185 HydrophobicContact CG1-CB 4.27Å; V157-L185 HydrophobicContact CG1-CD2 3.9Å; V157-L185 HydrophobicContact CG1-CG 4.11Å; V157-L185 HydrophobicContact CG2-CB 4.32Å; V157-L185 HydrophobicContact CG2-CD2 4.26Å; V157-L290 HydrophobicContact CG1-CD2 3.89Å
158L97.3Very high92.3Very high0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans-107.2135.1175-56.9-176.2000110.5L80 I139 I156 I168 V183 L185 V186 L187L80-L158 HydrophobicContact CB-CD2 3.79Å; L80-L158 HydrophobicContact CD2-CD2 4.07Å; L80-L158 HydrophobicContact CG-CD2 4.37Å; I139-L158 HydrophobicContact CD1-CD1 4.24Å; I139-L158 HydrophobicContact CD1-CD2 4Å; I139-L158 HydrophobicContact CG1-CD2 4.37Å; I156-L158 HydrophobicContact CG1-CD2 4.41Å; I156-L158 HydrophobicContact CG2-CD2 3.95Å; I156-L158 HydrophobicContact CG2-CG 4.48Å; L158-I168 HydrophobicContact CB-CD1 3.78Å; L158-I168 HydrophobicContact CB-CG1 4.23Å; L158-I168 HydrophobicContact CB-CG2 4.35Å; L158-I168 HydrophobicContact CD1-CG1 4.2Å; L158-I168 HydrophobicContact CD1-CG2 3.74Å; L158-V183 HydrophobicContact CD1-CB 4.49Å; L158-V183 HydrophobicContact CD1-CG1 4.17Å; L158-V183 HydrophobicContact CD1-CG2 3.57Å; L158-V183 HydrophobicContact CD2-CG2 4.47Å; L158-V183 HydrophobicContact CG-CG1 4.09Å; L158-V183 HydrophobicContact CG-CG2 3.76Å; L158-L185 PolarHBondContact N-O 3.46Å; L158-L185 VanDerWaalsContact N-O 3.1Å; L158-V186 HydrophobicContact CB-CG2 4.35Å; L158-V186 CarbonylContact O-C 3.57Å; L158-V186 WeakPolarHBondContact O-CA 3.44Å; L158-L187 PolarHBondContact O-N 3.35Å
159I98.3Very high92.7Very high1 Ų133.7 Ų33.71%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-123115.8174.2-52.1-174.4000107.8V79 L80 F81 I82 L95 V157 L187 L189 L290V79-I159 HydrophobicContact CG1-CD1 3.54Å; V79-I159 HydrophobicContact CG1-CG1 3.85Å; L80-I159 PolarHBondContact O-N 3.49Å; F81-I159 CarbonylContact C-O 3.57Å; F81-I159 WeakPolarHBondContact CA-O 3.3Å; F81-I159 HydrophobicContact CD2-CB 4.03Å; F81-I159 HydrophobicContact CD2-CG2 3.78Å; F81-I159 HydrophobicContact CE2-CG2 4.14Å; I82-I159 PolarHBondContact N-O 2.98Å; L95-I159 HydrophobicContact CD2-CD1 3.42Å; L95-I159 VanDerWaalsContact CD2-CD1 3.42Å; V157-I159 HydrophobicContact CG1-CG1 4.36Å; I159-L187 CarbonylContact C-O 3.46Å; I159-L187 VanDerWaalsContact CA-O 3.27Å; I159-L187 WeakPolarHBondContact CA-O 3.38Å; I159-L187 HydrophobicContact CG1-CB 4.18Å; I159-L187 HydrophobicContact CG2-CB 4.2Å; I159-L189 HydrophobicContact CG2-CD1 4.01Å; I159-L189 HydrophobicContact CG2-CG 4.28Å; I159-L290 HydrophobicContact CD1-CD1 4.14Å
160G98.3Very high93.4Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-105.8135.8177.100000110.6S165 L187 L189G160-S165 PolarHBondContact O-OG 3.24Å; G160-S165 VanDerWaalsContact O-OG 3.1Å; G160-L187 PolarHBondContact N-O 2.75Å; G160-L189 PolarHBondContact O-N 2.98Å
161H97.9Very high94.1Very high12 Ų1224 Ų246%0.05613%0.127CC..EExtended strand (participates in β ladder)trans-107.4130.4167.1174.3-113.2000110.5F81 I82 G84 V163 G164 L189 H273 L277F81-H161 HydrophobicContact CE2-CB 4.24Å; F81-H161 HydrophobicContact CZ-CB 3.91Å; I82-H161 PolarHBondContact O-N 2.83Å; G84-H161 VanDerWaalsContact CA-O 3.23Å; G84-H161 WeakPolarHBondContact CA-O 3.2Å; G84-H161 PolarHBondContact N-O 2.89Å; H161-V163 PolarHBondContact O-N 3.37Å; H161-G164 WeakPolarHBondContact O-CA 3.28Å; H161-G164 PolarHBondContact O-N 3.48Å; H161-L189 CarbonylContact C-O 3.59Å; H161-L189 VanDerWaalsContact CA-O 3.32Å; H161-L189 WeakPolarHBondContact CA-O 3.17Å; H161-L189 PolarHBondContact CD2-O 2.77Å; H161-L189 VanDerWaalsContact CD2-O 3.28Å; H161-H273 AromaticContact CE1-NE2 3.87Å; H161-H273 AromaticContact NE2-NE2 3.98Å; H161-H273 PolarHBondContact NE2-O 2.86Å; H161-L277 HydrophobicContact CB-CD2 3.94Å
162S96Very high94.8Very high11 Ų1117 Ų178%0.0779%0.091CC..THydrogen-bonded Turntrans54.9-125.8175.6-170.80000111.2G164 S165 L189 A190 H273S162-G164 PolarHBondContact O-N 2.92Å; S162-S165 WeakPolarHBondContact O-CB 3.2Å; S162-S165 PolarHBondContact O-N 2.86Å; S162-L189 PolarHBondContact N-O 3.45Å; S162-A190 WeakPolarHBondContact CA-O 3.46Å; S162-H273 VanDerWaalsContact CB-NE2 3.27Å; S162-H273 WeakPolarHBondContact CB-NE2 3.48Å; S162-H273 PolarHBondContact OG-CE1 3.43Å; S162-H273 VanDerWaalsContact OG-CE1 3.3Å; S162-H273 PolarHBondContact OG-NE2 3.48Å
163V95.6Very high95.3Very high12 Ų1215.4 Ų15.47%0.0738%0.08CC..Hα-helixtrans-59.6-23.1174.9-1700000112.7A122 I128 H161 S165 I166 V167A122-V163 HydrophobicContact CB-CG2 3.97Å; I128-V163 HydrophobicContact CD1-CG1 3.39Å; I128-V163 HydrophobicContact CG1-CG1 3.74Å; H161-V163 PolarHBondContact O-N 3.37Å; V163-S165 PolarHBondContact O-N 3.45Å; V163-I166 HydrophobicContact CG1-CB 4.47Å; V163-I166 WeakPolarHBondContact O-CA 3.19Å; V163-I166 VanDerWaalsContact O-CB 3.3Å; V163-I166 WeakPolarHBondContact O-CB 3.14Å; V163-I166 PolarHBondContact O-N 3.25Å; V163-V167 PolarHBondContact O-N 3.3Å
164G97.6Very high95.7Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-59.8-30.1172.700000113.2T83 H161 S162 I166 V167 I168T83-G164 WeakPolarHBondContact O-CA 3.34Å; H161-G164 WeakPolarHBondContact O-CA 3.28Å; H161-G164 PolarHBondContact O-N 3.48Å; S162-G164 PolarHBondContact O-N 2.92Å; G164-I166 VanDerWaalsContact C-N 3.32Å; G164-V167 WeakPolarHBondContact O-CB 3.48Å; G164-V167 PolarHBondContact O-N 3.43Å; G164-I168 WeakPolarHBondContact O-CG1 3.25Å; G164-I168 PolarHBondContact O-N 3.31Å
165S97.9Very high96.1Very high0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-65.1-37.6169.8-57.80000111.8G160 S162 V163 I168 F169 S188G160-S165 PolarHBondContact O-OG 3.24Å; G160-S165 VanDerWaalsContact O-OG 3.1Å; S162-S165 WeakPolarHBondContact O-CB 3.2Å; S162-S165 PolarHBondContact O-N 2.86Å; V163-S165 PolarHBondContact O-N 3.45Å; S165-I168 WeakPolarHBondContact O-CB 3.19Å; S165-I168 PolarHBondContact O-N 3.39Å; S165-F169 WeakPolarHBondContact O-CD2 3.33Å; S165-F169 PolarHBondContact O-N 2.84Å; S165-S188 WeakPolarHBondContact CB-OG 3.43Å; S165-S188 WeakPolarHBondContact OG-CB 3.31Å; S165-S188 PolarHBondContact OG-OG 2.8Å
166I97.8Very high96.2Very high1 Ų112.7 Ų12.71%0.0056%0.064CC..Hα-helixtrans-69.4-36.9178.4-48.4-52.2000110.6I128 V163 G164 I168 F169 N170 P192 I207 Y208 I211I128-I166 HydrophobicContact CD1-CG2 4.35Å; V163-I166 HydrophobicContact CG1-CB 4.47Å; V163-I166 WeakPolarHBondContact O-CA 3.19Å; V163-I166 VanDerWaalsContact O-CB 3.3Å; V163-I166 WeakPolarHBondContact O-CB 3.14Å; V163-I166 PolarHBondContact O-N 3.25Å; G164-I166 VanDerWaalsContact C-N 3.32Å; I166-I168 VanDerWaalsContact C-N 3.29Å; I166-I168 PolarHBondContact O-N 3Å; I166-F169 PolarHBondContact O-N 3.38Å; I166-N170 WeakPolarHBondContact O-CB 3.46Å; I166-N170 PolarHBondContact O-N 2.85Å; I166-P192 HydrophobicContact CD1-CG 4.29Å; I166-P192 WeakPolarHBondContact CD1-O 3.38Å; I166-P192 HydrophobicContact CG1-CG 4.33Å; I166-I207 HydrophobicContact CG2-CG2 3.8Å; I166-Y208 HydrophobicContact CD1-CE1 4.2Å; I166-Y208 VanDerWaalsContact CD1-OH 3.28Å; I166-Y208 WeakPolarHBondContact CD1-OH 3.22Å; I166-Y208 HydrophobicContact CG2-CE2 4.12Å; I166-I211 HydrophobicContact CG2-CD1 3.88Å
167V97.8Very high95.9Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-57.4-42.8171.6175.60000111.1I82 I128 Q131 T132 V135 V163 G164 L171I82-V167 HydrophobicContact CG2-CB 4.23Å; I82-V167 HydrophobicContact CG2-CG1 4.27Å; I128-V167 HydrophobicContact CG2-CG2 4.09Å; Q131-V167 HydrophobicContact CB-CG1 4.15Å; Q131-V167 HydrophobicContact CB-CG2 3.89Å; T132-V167 PolarHBondContact OG1-O 3.49Å; V135-V167 HydrophobicContact CB-CG1 4.38Å; V135-V167 HydrophobicContact CG2-CG1 3.85Å; V163-V167 PolarHBondContact O-N 3.3Å; G164-V167 WeakPolarHBondContact O-CB 3.48Å; G164-V167 PolarHBondContact O-N 3.43Å; V167-L171 WeakPolarHBondContact O-CB 3.26Å; V167-L171 PolarHBondContact O-N 2.78Å
168I97.8Very high95.4Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-62.6-52.6175.6-65.9166.4000110.9I82 L158 G164 S165 I166 N170 L171 L172 V186I82-I168 HydrophobicContact CD1-CD1 3.91Å; I82-I168 HydrophobicContact CD1-CG1 3.37Å; L158-I168 HydrophobicContact CB-CD1 3.78Å; L158-I168 HydrophobicContact CB-CG1 4.23Å; L158-I168 HydrophobicContact CB-CG2 4.35Å; L158-I168 HydrophobicContact CD1-CG1 4.2Å; L158-I168 HydrophobicContact CD1-CG2 3.74Å; G164-I168 WeakPolarHBondContact O-CG1 3.25Å; G164-I168 PolarHBondContact O-N 3.31Å; S165-I168 WeakPolarHBondContact O-CB 3.19Å; S165-I168 PolarHBondContact O-N 3.39Å; I166-I168 VanDerWaalsContact C-N 3.29Å; I166-I168 PolarHBondContact O-N 3Å; I168-N170 VanDerWaalsContact C-N 3.29Å; I168-N170 PolarHBondContact O-N 3.35Å; I168-L171 VanDerWaalsContact O-CB 3.29Å; I168-L171 WeakPolarHBondContact O-CB 3.45Å; I168-L171 PolarHBondContact O-N 3.46Å; I168-L171 VanDerWaalsContact O-N 3.13Å; I168-L172 HydrophobicContact CG2-CD1 4Å; I168-L172 HydrophobicContact CG2-CG 4.37Å; I168-L172 WeakPolarHBondContact O-CG 3.39Å; I168-L172 PolarHBondContact O-N 2.84Å; I168-V186 HydrophobicContact CD1-CG1 4.33Å; I168-V186 HydrophobicContact CG2-CG1 4.02Å; I168-V186 HydrophobicContact CG2-CG2 3.86Å
169F97.1Very high94.3Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-68.5-31.1-177.1-72.4-65.2000112.6S165 I166 L172 S173 V186 I193 I211 L215 I228S165-F169 WeakPolarHBondContact O-CD2 3.33Å; S165-F169 PolarHBondContact O-N 2.84Å; I166-F169 PolarHBondContact O-N 3.38Å; F169-L172 HydrophobicContact CD1-CD1 4.25Å; F169-L172 HydrophobicContact CE1-CD1 4.44Å; F169-L172 PolarHBondContact O-N 3.14Å; F169-S173 VanDerWaalsContact O-CB 3.28Å; F169-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.87Å; F169-S173 PolarHBondContact O-OG 3.46Å; F169-V186 HydrophobicContact CE2-CG1 4.3Å; F169-V186 HydrophobicContact CZ-CG1 3.91Å; F169-I193 HydrophobicContact CD2-CD1 4.38Å; F169-I193 HydrophobicContact CD2-CG1 4.09Å; F169-I193 HydrophobicContact CD2-CG2 3.84Å; F169-I193 HydrophobicContact CE2-CB 4.47Å; F169-I193 HydrophobicContact CE2-CD1 3.53Å; F169-I193 HydrophobicContact CE2-CG1 3.72Å; F169-I193 HydrophobicContact CE2-CG2 3.89Å; F169-I193 HydrophobicContact CG-CG2 4.42Å; F169-I193 HydrophobicContact CZ-CD1 4.11Å; F169-I193 HydrophobicContact CZ-CG2 4.47Å; F169-I211 HydrophobicContact CB-CB 4.46Å; F169-I211 HydrophobicContact CB-CD1 3.69Å; F169-I211 HydrophobicContact CB-CG1 3.75Å; F169-I211 HydrophobicContact CB-CG2 3.89Å; F169-I211 HydrophobicContact CG-CG2 4.43Å; F169-L215 HydrophobicContact CD1-CD2 4.39Å; F169-L215 HydrophobicContact CE1-CD2 4.33Å; F169-I228 HydrophobicContact CE1-CD1 3.59Å; F169-I228 HydrophobicContact CE1-CG1 4.28Å; F169-I228 HydrophobicContact CE1-CG2 4.46Å; F169-I228 HydrophobicContact CZ-CD1 3.93Å; F169-I228 HydrophobicContact CZ-CG1 4.36Å; F169-I228 HydrophobicContact CZ-CG2 3.74Å
170N97.3Very high92.9Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-66.5-39.1171.3-169.450.9000111.5E129 T132 I166 I168 S173 S174 I207 R210E129-N170 PolarHBondContact OE2-ND2 3.47Å; T132-N170 PolarHBondContact OG1-ND2 3.25Å; I166-N170 WeakPolarHBondContact O-CB 3.46Å; I166-N170 PolarHBondContact O-N 2.85Å; I168-N170 VanDerWaalsContact C-N 3.29Å; I168-N170 PolarHBondContact O-N 3.35Å; N170-S173 WeakPolarHBondContact CA-OG 3.5Å; N170-S173 PolarHBondContact O-OG 3.26Å; N170-S174 VanDerWaalsContact O-CB 3.29Å; N170-S174 WeakPolarHBondContact O-CB 3.12Å; N170-S174 PolarHBondContact O-N 2.91Å; N170-S174 PolarHBondContact O-OG 3.32Å; N170-I207 HydrophobicContact CB-CG2 3.99Å; N170-R210 PolarHBondContact OD1-NH2 2.78Å
171L96.8Very high91.8Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-58.2-54172.3176.474.4000111T132 V135 D136 I139 V167 I168 S173 S174 R175 W176T132-L171 HydrophobicContact CG2-CB 3.85Å; T132-L171 HydrophobicContact CG2-CD1 4.11Å; V135-L171 HydrophobicContact CG1-CD2 4.05Å; D136-L171 HydrophobicContact CB-CD1 3.52Å; I139-L171 HydrophobicContact CD1-CD2 3.54Å; V167-L171 WeakPolarHBondContact O-CB 3.26Å; V167-L171 PolarHBondContact O-N 2.78Å; I168-L171 VanDerWaalsContact O-CB 3.29Å; I168-L171 WeakPolarHBondContact O-CB 3.45Å; I168-L171 PolarHBondContact O-N 3.46Å; I168-L171 VanDerWaalsContact O-N 3.13Å; L171-S173 VanDerWaalsContact C-N 3.28Å; L171-S173 PolarHBondContact O-N 2.88Å; L171-S174 PolarHBondContact O-N 3.5Å; L171-R175 HydrophobicContact CD1-CB 3.92Å; L171-R175 HydrophobicContact CD1-CG 4.08Å; L171-R175 PolarHBondContact O-N 3.23Å; L171-W176 HydrophobicContact CD2-CH2 4.05Å; L171-W176 HydrophobicContact CD2-CZ2 3.86Å; L171-W176 HydrophobicContact CG-CZ2 4.38Å
172L95.9Very high91.5Very high3 Ų333.6 Ų33.62%0.01617%0.173CC..Hα-helixtrans-62.2-36-176.6-64.8176.8000112.4I168 F169 W176 V183 V186 Y214 L226I168-L172 HydrophobicContact CG2-CD1 4Å; I168-L172 HydrophobicContact CG2-CG 4.37Å; I168-L172 WeakPolarHBondContact O-CG 3.39Å; I168-L172 PolarHBondContact O-N 2.84Å; F169-L172 HydrophobicContact CD1-CD1 4.25Å; F169-L172 HydrophobicContact CE1-CD1 4.44Å; F169-L172 PolarHBondContact O-N 3.14Å; L172-W176 HydrophobicContact CD2-CE3 3.6Å; L172-W176 HydrophobicContact CD2-CZ3 3.66Å; L172-V183 HydrophobicContact CD2-CB 4.47Å; L172-V186 HydrophobicContact CD1-CG2 4.25Å; L172-Y214 HydrophobicContact CB-CE1 3.91Å; L172-Y214 HydrophobicContact CD1-CE1 4.5Å; L172-L226 HydrophobicContact CD1-CD2 4.02Å
173S95.5Very high91.3Very high25 Ų2533.1 Ų33.118%0.17517%0.169CC..Hα-helixtrans-85.8-22.7-177.5600000114.9F169 N170 L171 R210 Y214F169-S173 VanDerWaalsContact O-CB 3.28Å; F169-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.87Å; F169-S173 PolarHBondContact O-OG 3.46Å; N170-S173 WeakPolarHBondContact CA-OG 3.5Å; N170-S173 PolarHBondContact O-OG 3.26Å; L171-S173 VanDerWaalsContact C-N 3.28Å; L171-S173 PolarHBondContact O-N 2.88Å; S173-R210 WeakPolarHBondContact CB-O 3.38Å; S173-Y214 VanDerWaalsContact CB-CB 3.47Å
174S94.3Very high91.1Very high39 Ų3935 Ų3527%0.27318%0.176SC..Hα-helixtrans-118.7-26.7-171.572.60000115.4N170 L171N170-S174 VanDerWaalsContact O-CB 3.29Å; N170-S174 WeakPolarHBondContact O-CB 3.12Å; N170-S174 PolarHBondContact O-N 2.91Å; N170-S174 PolarHBondContact O-OG 3.32Å; L171-S174 PolarHBondContact O-N 3.5Å
175R92.7Very high91Very high106 Ų10635 Ų3540%0.418%0.177SC..THydrogen-bonded Turntrans-108.8-26.2-172.8-54.8-50.8171.8128.36.2113.6E129 T132 D133 L171E129-R175 IonicContact OE2-NH2 3.92Å; T132-R175 HydrophobicContact CG2-CG 4.03Å; D133-R175 IonicContact OD1-CZ 2.58Å; D133-R175 IonicContact OD1-NE 3.22Å; D133-R175 IonicContact OD1-NH1 2.86Å; D133-R175 PolarHBondContact OD1-NH1 3.18Å; D133-R175 IonicContact OD1-NH2 3.26Å; D133-R175 PolarHBondContact OD1-NH2 3.34Å; D133-R175 IonicContact OD2-NH2 3.16Å; L171-R175 HydrophobicContact CD1-CB 3.92Å; L171-R175 HydrophobicContact CD1-CG 4.08Å; L171-R175 PolarHBondContact O-N 3.23Å
176W91.1Very high90.9Very high33 Ų3335 Ų3513%0.12518%0.177CC..SBendtrans-111148.8-178.9-63.8-5.8000111.4D136 I139 L171 L172 K182 V183D136-W176 PolarHBondContact OD1-NE1 3.18Å; I139-W176 HydrophobicContact CB-CZ2 4.49Å; I139-W176 HydrophobicContact CD1-CH2 3.8Å; I139-W176 HydrophobicContact CD1-CZ2 3.86Å; I139-W176 HydrophobicContact CG2-CH2 4.13Å; I139-W176 HydrophobicContact CG2-CZ2 4.07Å; L171-W176 HydrophobicContact CD2-CH2 4.05Å; L171-W176 HydrophobicContact CD2-CZ2 3.86Å; L171-W176 HydrophobicContact CG-CZ2 4.38Å; L172-W176 HydrophobicContact CD2-CE3 3.6Å; L172-W176 HydrophobicContact CD2-CZ3 3.66Å; W176-K182 HydrophobicContact CH2-CB 3.9Å; W176-K182 HydrophobicContact CH2-CD 4.36Å; W176-K182 HydrophobicContact CZ2-CD 4.2Å; W176-K182 HydrophobicContact CZ3-CB 4.13Å; W176-V183 HydrophobicContact CH2-CG2 3.71Å; W176-V183 HydrophobicContact CZ3-CB 4.18Å; W176-V183 HydrophobicContact CZ3-CG2 3.5Å; W176-V183 VanDerWaalsContact CZ3-CG2 3.5Å
177N85.9Confident90.9Very high96 Ų9635 Ų3551%0.51318%0.176SC..  trans-79.1148.6170-164.1-3.8000109.4T179 Q180N177-T179 PolarHBondContact O-N 2.89Å; N177-Q180 PolarHBondContact O-N 2.9Å
178I84.2Confident90.9Very high39 Ų3935 Ų3520%0.218%0.176CC..THydrogen-bonded Turntrans-52-32.4179.5-69.2172.7000112.1Y214 Q217 I218 I221 Y224I178-Y214 HydrophobicContact CG1-CD2 4.36Å; I178-Y214 HydrophobicContact CG1-CE2 4.22Å; I178-Q217 HydrophobicContact CD1-CB 4.06Å; I178-I218 HydrophobicContact CG2-CG2 4.38Å; I178-I221 HydrophobicContact CG2-CD1 3.51Å; I178-Y224 HydrophobicContact CG2-CE2 3.65Å; I178-Y224 WeakPolarHBondContact O-CE2 3.43Å; I178-Y224 PolarHBondContact O-OH 3.41Å
179T74.7Confident90.9Very high114 Ų11435 Ų3570%0.69918%0.177SC*.THydrogen-bonded Turntrans-85.2-12.3-177.557.10000114.9N177N177-T179 PolarHBondContact O-N 2.89Å
180Q69.1Low90.9Very high139 Ų13935 Ų3565%0.6518%0.177SC*.  trans-117.256-171.3-70.4-176.6-27.800111.6N177N177-Q180 PolarHBondContact O-N 2.9Å
181T74.9Confident90.8Very high23 Ų2335 Ų3514%0.14118%0.177CC..  trans-88.9115.6-178.761.10000112.2V183 Y224T181-V183 PolarHBondContact O-N 3.17Å; T181-Y224 WeakPolarHBondContact CG2-OH 3.34Å
182K90.7Very high90.6Very high64 Ų6435.3 Ų35.328%0.27818%0.178SC..SBendtrans-76.63.2166.4-62.8166.7-176.6164.40111.9I139 D140 L143 H155 I156 W176I139-K182 HydrophobicContact CG2-CD 4.19Å; D140-K182 IonicContact OD1-NZ 3.95Å; D140-K182 PolarHBondContact OD1-NZ 3.49Å; L143-K182 HydrophobicContact CD1-CB 4.18Å; L143-K182 HydrophobicContact CD1-CD 3.88Å; L143-K182 HydrophobicContact CD1-CG 4.2Å; H155-K182 CarbonylContact C-O 3.49Å; H155-K182 WeakPolarHBondContact CA-O 3.47Å; H155-K182 WeakPolarHBondContact CB-O 3.44Å; I156-K182 PolarHBondContact N-O 3.24Å; W176-K182 HydrophobicContact CH2-CB 3.9Å; W176-K182 HydrophobicContact CH2-CD 4.36Å; W176-K182 HydrophobicContact CZ2-CD 4.2Å; W176-K182 HydrophobicContact CZ3-CB 4.13Å
183V92.5Very high90.5Very high1 Ų135.1 Ų35.11%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-126.6125.4-171.7177.30000109I156 L158 L172 W176 T181 V186 L226I156-V183 HydrophobicContact CG2-CG2 3.81Å; L158-V183 HydrophobicContact CD1-CB 4.49Å; L158-V183 HydrophobicContact CD1-CG1 4.17Å; L158-V183 HydrophobicContact CD1-CG2 3.57Å; L158-V183 HydrophobicContact CD2-CG2 4.47Å; L158-V183 HydrophobicContact CG-CG1 4.09Å; L158-V183 HydrophobicContact CG-CG2 3.76Å; L172-V183 HydrophobicContact CD2-CB 4.47Å; W176-V183 HydrophobicContact CH2-CG2 3.71Å; W176-V183 HydrophobicContact CZ3-CB 4.18Å; W176-V183 HydrophobicContact CZ3-CG2 3.5Å; W176-V183 VanDerWaalsContact CZ3-CG2 3.5Å; T181-V183 PolarHBondContact O-N 3.17Å; V183-V186 HydrophobicContact CG1-CG2 3.75Å; V183-L226 HydrophobicContact CG1-CD1 3.97Å
184K91.6Very high89.9Confident51 Ų5137.5 Ų37.522%0.22218%0.183CC..EExtended strand (participates in β ladder)trans-109.6-16175.6-75.4179.8167.31660113.1H155 V227H155-K184 HydrophobicContact CB-CD 4.37Å; H155-K184 HydrophobicContact CB-CG 4.4Å; H155-K184 VanDerWaalsContact CD2-CE 3.49Å; H155-K184 WeakPolarHBondContact CD2-CE 3.43Å; H155-K184 PolarHBondContact CD2-NZ 3.24Å; H155-K184 VanDerWaalsContact CD2-NZ 3.25Å; H155-K184 VanDerWaalsContact CE1-CE 3.47Å; H155-K184 WeakPolarHBondContact CE1-CE 3.23Å; H155-K184 WeakPolarHBondContact NE2-CE 3.48Å; H155-K184 PolarHBondContact NE2-NZ 2.9Å; K184-V227 PolarHBondContact O-N 2.99Å
185L94.6Very high89.4Confident1 Ų140.7 Ų40.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-143.6128.9-178179.865.1000110.7V157 L158 L187 V227 I229 L290 F307V157-L185 HydrophobicContact CG1-CB 4.27Å; V157-L185 HydrophobicContact CG1-CD2 3.9Å; V157-L185 HydrophobicContact CG1-CG 4.11Å; V157-L185 HydrophobicContact CG2-CB 4.32Å; V157-L185 HydrophobicContact CG2-CD2 4.26Å; L158-L185 PolarHBondContact N-O 3.46Å; L158-L185 VanDerWaalsContact N-O 3.1Å; L185-L187 HydrophobicContact CD1-CD1 3.87Å; L185-L187 HydrophobicContact CD2-CD1 3.76Å; L185-L187 HydrophobicContact CG-CD1 3.76Å; L185-V227 WeakPolarHBondContact CA-O 3.48Å; L185-V227 HydrophobicContact CD1-CB 4.07Å; L185-V227 HydrophobicContact CD1-CG1 3.96Å; L185-I229 HydrophobicContact CD1-CG1 4Å; L185-L290 HydrophobicContact CD2-CD2 3.67Å; L185-F307 HydrophobicContact CD1-CD2 4.5Å; L185-F307 HydrophobicContact CD1-CE2 3.79Å; L185-F307 HydrophobicContact CD1-CZ 4.29Å; L185-F307 HydrophobicContact CD2-CE2 3.84Å; L185-F307 HydrophobicContact CD2-CZ 3.74Å
186V96.6Very high88.7Confident0 Ų036.5 Ų36.50%018%0.181CC..EExtended strand (participates in β ladder)trans-119.7123.5169.1174.20000108.7L158 I168 F169 L172 V183 L226 V227 I229L158-V186 HydrophobicContact CB-CG2 4.35Å; L158-V186 CarbonylContact O-C 3.57Å; L158-V186 WeakPolarHBondContact O-CA 3.44Å; I168-V186 HydrophobicContact CD1-CG1 4.33Å; I168-V186 HydrophobicContact CG2-CG1 4.02Å; I168-V186 HydrophobicContact CG2-CG2 3.86Å; F169-V186 HydrophobicContact CE2-CG1 4.3Å; F169-V186 HydrophobicContact CZ-CG1 3.91Å; L172-V186 HydrophobicContact CD1-CG2 4.25Å; V183-V186 HydrophobicContact CG1-CG2 3.75Å; V186-L226 HydrophobicContact CG2-CD1 3.93Å; V186-V227 PolarHBondContact N-O 2.74Å; V186-I229 PolarHBondContact O-N 2.92Å
187L97.7Very high88.1Confident0 Ų037.5 Ų37.50%019%0.19CC..EExtended strand (participates in β ladder)trans-101118.8164.5-94.573.8000109L158 I159 G160 L185 I229 L286 L290 F307L158-L187 PolarHBondContact O-N 3.35Å; I159-L187 CarbonylContact C-O 3.46Å; I159-L187 VanDerWaalsContact CA-O 3.27Å; I159-L187 WeakPolarHBondContact CA-O 3.38Å; I159-L187 HydrophobicContact CG1-CB 4.18Å; I159-L187 HydrophobicContact CG2-CB 4.2Å; G160-L187 PolarHBondContact N-O 2.75Å; L185-L187 HydrophobicContact CD1-CD1 3.87Å; L185-L187 HydrophobicContact CD2-CD1 3.76Å; L185-L187 HydrophobicContact CG-CD1 3.76Å; L187-I229 CarbonylContact C-O 3.55Å; L187-I229 WeakPolarHBondContact CA-O 3.35Å; L187-I229 HydrophobicContact CD1-CB 4.22Å; L187-I229 HydrophobicContact CD1-CG1 4.22Å; L187-I229 HydrophobicContact CG-CB 4.13Å; L187-L286 HydrophobicContact CD2-CB 4.48Å; L187-L286 HydrophobicContact CD2-CD1 4.24Å; L187-L286 HydrophobicContact CD2-CD2 3.84Å; L187-L286 HydrophobicContact CD2-CG 4.4Å; L187-L290 HydrophobicContact CD1-CD2 4.23Å; L187-F307 HydrophobicContact CD1-CE1 4.5Å; L187-F307 HydrophobicContact CD1-CZ 4.3Å
188S98.2Very high87.4Confident0 Ų036.7 Ų36.70%019%0.185CC..EExtended strand (participates in β ladder)trans-100.7122.7171.21740000109.5S165 G191 I229 I231S165-S188 WeakPolarHBondContact CB-OG 3.43Å; S165-S188 WeakPolarHBondContact OG-CB 3.31Å; S165-S188 PolarHBondContact OG-OG 2.8Å; S188-G191 WeakPolarHBondContact OG-CA 3.42Å; S188-G191 PolarHBondContact OG-N 3.48Å; S188-I229 PolarHBondContact N-O 3.44Å; S188-I231 PolarHBondContact O-N 3.34Å
189L98Very high86.9Confident2 Ų239.1 Ų39.11%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-109.6112.5177.1-57.1-178.7000109I159 G160 H161 S162 G191 I231 I276 L277 L286I159-L189 HydrophobicContact CG2-CD1 4.01Å; I159-L189 HydrophobicContact CG2-CG 4.28Å; G160-L189 PolarHBondContact O-N 2.98Å; H161-L189 CarbonylContact C-O 3.59Å; H161-L189 VanDerWaalsContact CA-O 3.32Å; H161-L189 WeakPolarHBondContact CA-O 3.17Å; H161-L189 PolarHBondContact CD2-O 2.77Å; H161-L189 VanDerWaalsContact CD2-O 3.28Å; S162-L189 PolarHBondContact N-O 3.45Å; L189-G191 PolarHBondContact O-N 2.95Å; L189-I231 CarbonylContact C-O 3.52Å; L189-I231 WeakPolarHBondContact CA-O 3.46Å; L189-I231 HydrophobicContact CD2-CB 4.12Å; L189-I231 HydrophobicContact CD2-CD1 4.25Å; L189-I276 HydrophobicContact CB-CD1 4.09Å; L189-I276 HydrophobicContact CB-CG1 4.39Å; L189-L277 HydrophobicContact CD1-CD2 4.11Å; L189-L286 HydrophobicContact CD1-CD1 4.48Å; L189-L286 HydrophobicContact CD2-CD1 3.96Å
190A96.6Very high86.8Confident0 Ų036.1 Ų36.10%018%0.18CC..SBendtrans52.633.2-175.800000113.5S162 I231 D237 I276S162-A190 WeakPolarHBondContact CA-O 3.46Å; A190-I231 PolarHBondContact N-O 3.39Å; A190-D237 WeakPolarHBondContact CB-OD2 3.46Å; A190-I276 HydrophobicContact CB-CD1 4.05Å; A190-I276 HydrophobicContact CB-CG2 4.25Å
191G95.9Very high87.4Confident0 Ų031.8 Ų31.80%016%0.161CC..  trans-84.8128.2179.900000112.4S188 L189 I193S188-G191 WeakPolarHBondContact OG-CA 3.42Å; S188-G191 PolarHBondContact OG-N 3.48Å; L189-G191 PolarHBondContact O-N 2.95Å; G191-I193 PolarHBondContact O-N 3.4Å
192P92.1Very high87.8Confident5 Ų539.6 Ų39.63%0.03219%0.188CC..  trans-81.262.2177.133.8-35.1000111.1I166 Y194 Q195 V197 Y208 V240 L244I166-P192 HydrophobicContact CD1-CG 4.29Å; I166-P192 WeakPolarHBondContact CD1-O 3.38Å; I166-P192 HydrophobicContact CG1-CG 4.33Å; P192-Y194 PolarHBondContact O-N 3.07Å; P192-Q195 WeakPolarHBondContact CB-O 3.5Å; P192-V197 HydrophobicContact CB-CG2 4Å; P192-V197 HydrophobicContact CG-CG2 4.2Å; P192-Y208 WeakPolarHBondContact O-CE1 3.22Å; P192-Y208 PolarHBondContact O-OH 3.42Å; P192-V240 HydrophobicContact CB-CG1 3.95Å; P192-V240 HydrophobicContact CG-CG2 4.49Å; P192-L244 CarbonylContact C-O 3.53Å; P192-L244 VanDerWaalsContact C-O 3.26Å; P192-L244 WeakPolarHBondContact CA-O 3.37Å; P192-L244 HydrophobicContact CB-CB 4.05Å; P192-L244 HydrophobicContact CB-CD1 4.25Å
193I92.7Very high87.7Confident0 Ų037.5 Ų37.50%018%0.182CC..  trans-65.4-40.4-171.1-52.8166.1000111.8F169 G191 Y208 L215 L244 I247F169-I193 HydrophobicContact CD2-CD1 4.38Å; F169-I193 HydrophobicContact CD2-CG1 4.09Å; F169-I193 HydrophobicContact CD2-CG2 3.84Å; F169-I193 HydrophobicContact CE2-CB 4.47Å; F169-I193 HydrophobicContact CE2-CD1 3.53Å; F169-I193 HydrophobicContact CE2-CG1 3.72Å; F169-I193 HydrophobicContact CE2-CG2 3.89Å; F169-I193 HydrophobicContact CG-CG2 4.42Å; F169-I193 HydrophobicContact CZ-CD1 4.11Å; F169-I193 HydrophobicContact CZ-CG2 4.47Å; G191-I193 PolarHBondContact O-N 3.4Å; I193-Y208 WeakPolarHBondContact O-CE1 3.35Å; I193-L215 HydrophobicContact CG2-CD1 4.3Å; I193-L244 PolarHBondContact N-O 3.37Å; I193-I247 HydrophobicContact CB-CG2 3.81Å; I193-I247 HydrophobicContact CD1-CD1 4.49Å; I193-I247 HydrophobicContact CD1-CG2 4.09Å; I193-I247 HydrophobicContact CG2-CG2 3.73Å
194Y84.8Confident87.3Confident74 Ų7437.8 Ų37.829%0.2918%0.183SC..SBendtrans-71.1-43.2-174.7178.7-108.9000112.3P192 H212 L244 A250P192-Y194 PolarHBondContact O-N 3.07Å; Y194-H212 PolarHBondContact O-CE1 3.49Å; Y194-H212 PolarHBondContact O-NE2 3.39Å; Y194-L244 WeakPolarHBondContact CB-O 3.5Å; Y194-L244 PolarHBondContact N-O 3.22Å; Y194-A250 HydrophobicContact CD2-CB 3.89Å; Y194-A250 HydrophobicContact CE2-CB 3.76Å
195Q81.9Confident86.9Confident106 Ų10636.3 Ų36.350%0.49518%0.18SC..SBendtrans-153.9146.2178.7-171.9-179.44.300109.6P192 L244P192-Q195 WeakPolarHBondContact CB-O 3.5Å; Q195-L244 HydrophobicContact CB-CD2 4.12Å
196P79.8Confident86.8Confident19 Ų1940 Ų4012%0.12320%0.198CC..  trans-64.5145.6176.725.1-33.5000111.6I198 L199 M204 Y208P196-I198 VanDerWaalsContact C-N 3.25Å; P196-I198 WeakPolarHBondContact CB-O 3.26Å; P196-I198 PolarHBondContact O-N 2.87Å; P196-L199 HydrophobicContact CG-CB 4.41Å; P196-L199 HydrophobicContact CG-CD1 3.75Å; P196-M204 HydrophobicContact CB-CG 4.26Å; P196-M204 HydrophobicContact CG-CG 4.49Å; P196-Y208 WeakPolarHBondContact CA-OH 3.45Å; P196-Y208 HydrophobicContact CB-CD2 4.12Å; P196-Y208 HydrophobicContact CB-CE1 4.5Å; P196-Y208 HydrophobicContact CB-CE2 3.5Å; P196-Y208 HydrophobicContact CG-CD2 3.95Å; P196-Y208 HydrophobicContact CG-CE2 3.85Å; P196-Y208 HydrophobicContact CG-CG 4.36Å
197V78.2Confident86.7Confident54 Ų5440 Ų4033%0.32720%0.198SC..SBendtrans-58.5-42.2173.8-176.80000110.8P192 I239 V240 L244P192-V197 HydrophobicContact CB-CG2 4Å; P192-V197 HydrophobicContact CG-CG2 4.2Å; V197-I239 VanDerWaalsContact CG1-O 3.31Å; V197-I239 WeakPolarHBondContact CG1-O 3.3Å; V197-V240 HydrophobicContact CG2-CG2 3.88Å; V197-L244 HydrophobicContact CG2-CD1 4.01Å
198I71Confident86.3Confident78 Ų7840.8 Ų40.840%0.420%0.201SC..SBendtrans-136.7139.8174.5-62171.4000106.3L123 P196 P200 T636L123-I198 HydrophobicContact CD2-CD1 4.21Å; P196-I198 VanDerWaalsContact C-N 3.25Å; P196-I198 WeakPolarHBondContact CB-O 3.26Å; P196-I198 PolarHBondContact O-N 2.87Å; I198-P200 WeakPolarHBondContact O-CD 3.42Å; I198-T636 HydrophobicContact CD1-CG2 4.2Å; I198-T636 HydrophobicContact CG1-CG2 3.91Å
199L73Confident86Confident90 Ų9044.2 Ų44.247%0.47122%0.217SC..  trans-98.488.5172.5-168.470.1000109.5P196 M204 A205P196-L199 HydrophobicContact CG-CB 4.41Å; P196-L199 HydrophobicContact CG-CD1 3.75Å; L199-M204 HydrophobicContact CD1-CB 4.19Å; L199-M204 HydrophobicContact CD1-CG 4.11Å; L199-A205 HydrophobicContact CD1-CB 3.91Å; L199-A205 HydrophobicContact CD2-CB 4.33Å
200P73.6Confident85.9Confident51 Ų5147.7 Ų47.733%0.33123%0.23SC..  trans-77.7-30.7-170.932-38.9000113.1L123 I198 M204L123-P200 WeakPolarHBondContact O-CB 3.32Å; L123-P200 WeakPolarHBondContact O-CG 3.43Å; I198-P200 WeakPolarHBondContact O-CD 3.42Å; P200-M204 HydrophobicContact CG-CB 4.29Å; P200-M204 HydrophobicContact CG-CE 4.19Å
201D80.1Confident85.8Confident48 Ų4847.7 Ų47.726%0.25723%0.23SC..SBendtrans-152.5170.5-171.666.641.5000111.8S124 G125 S203 M204 A205S124-D201 WeakPolarHBondContact CA-OD2 3.28Å; G125-D201 PolarHBondContact N-OD2 3.47Å; D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 PolarHBondContact O-N 3.34Å; D201-S203 WeakPolarHBondContact OD1-CA 3.42Å; D201-S203 WeakPolarHBondContact OD1-CB 3.47Å; D201-S203 PolarHBondContact OD1-N 3.01Å; D201-M204 WeakPolarHBondContact OD1-CB 3.42Å; D201-M204 PolarHBondContact OD1-N 2.92Å; D201-A205 PolarHBondContact O-N 3.32Å
202R84.3Confident85.6Confident187 Ų18749.9 Ų49.971%0.70624%0.24SC*.Hα-helixtrans-67.4-30.7177.9-173.7-179.1-178.4-172.21.9112.9A205 Q206R202-A205 WeakPolarHBondContact O-CB 3.5Å; R202-A205 PolarHBondContact O-N 2.99Å; R202-Q206 WeakPolarHBondContact O-CG 3.18Å; R202-Q206 PolarHBondContact O-N 3.45Å
203S87.8Confident85.7Confident20 Ų2052 Ų5214%0.1425%0.251CS..Hα-helixtrans-65.7-42.1-178.9178.30000110.5E126 D201 A205 Q206 I207E126-S203 PolarHBondContact N-OG 3.5Å; D201-S203 VanDerWaalsContact C-N 3.31Å; D201-S203 PolarHBondContact O-N 3.34Å; D201-S203 WeakPolarHBondContact OD1-CA 3.42Å; D201-S203 WeakPolarHBondContact OD1-CB 3.47Å; D201-S203 PolarHBondContact OD1-N 3.01Å; S203-A205 PolarHBondContact O-N 2.93Å; S203-Q206 PolarHBondContact O-N 3.49Å; S203-I207 WeakPolarHBondContact O-CG1 3Å; S203-I207 PolarHBondContact O-N 3.25Å
204M83.9Confident85.8Confident7 Ų752.5 Ų52.53%0.03425%0.253CS..Hα-helixtrans-59.6-45.3172.7-170.370.773.100111I128 P196 L199 P200 D201 Q206 I207 Y208I128-M204 HydrophobicContact CD1-CE 3.46Å; I128-M204 VanDerWaalsContact CD1-CE 3.46Å; I128-M204 HydrophobicContact CD1-SD 3.65Å; P196-M204 HydrophobicContact CB-CG 4.26Å; P196-M204 HydrophobicContact CG-CG 4.49Å; L199-M204 HydrophobicContact CD1-CB 4.19Å; L199-M204 HydrophobicContact CD1-CG 4.11Å; P200-M204 HydrophobicContact CG-CB 4.29Å; P200-M204 HydrophobicContact CG-CE 4.19Å; D201-M204 WeakPolarHBondContact OD1-CB 3.42Å; D201-M204 PolarHBondContact OD1-N 2.92Å; M204-Q206 VanDerWaalsContact C-N 3.3Å; M204-Q206 PolarHBondContact O-N 3.38Å; M204-I207 WeakPolarHBondContact O-CB 3.39Å; M204-I207 PolarHBondContact O-N 2.93Å; M204-Y208 HydrophobicContact CG-CD2 4.06Å; M204-Y208 HydrophobicContact CG-CE2 4.07Å; M204-Y208 WeakPolarHBondContact O-CD2 3.5Å; M204-Y208 PolarHBondContact O-N 2.77Å; M204-Y208 HydrophobicContact SD-CD2 4.1Å; M204-Y208 HydrophobicContact SD-CE2 3.71Å
205A83.7Confident86.2Confident20 Ų2049.1 Ų49.117%0.16524%0.24CC..Hα-helixtrans-57.4-44.6176.800000111.8L199 D201 R202 S203 Y208 Q209L199-A205 HydrophobicContact CD1-CB 3.91Å; L199-A205 HydrophobicContact CD2-CB 4.33Å; D201-A205 PolarHBondContact O-N 3.32Å; R202-A205 WeakPolarHBondContact O-CB 3.5Å; R202-A205 PolarHBondContact O-N 2.99Å; S203-A205 PolarHBondContact O-N 2.93Å; A205-Y208 PolarHBondContact O-N 3.22Å; A205-Q209 WeakPolarHBondContact O-CB 3.48Å; A205-Q209 PolarHBondContact O-N 3.04Å
206Q92.9Very high86.7Confident80 Ų8046.7 Ų46.737%0.37423%0.23SC..Hα-helixtrans-66-38.6177.9-70.7173.2-23.700112.6R202 S203 M204 Q209 R210R202-Q206 WeakPolarHBondContact O-CG 3.18Å; R202-Q206 PolarHBondContact O-N 3.45Å; S203-Q206 PolarHBondContact O-N 3.49Å; M204-Q206 VanDerWaalsContact C-N 3.3Å; M204-Q206 PolarHBondContact O-N 3.38Å; Q206-Q209 PolarHBondContact O-N 3.48Å; Q206-R210 WeakPolarHBondContact O-CG 3.27Å; Q206-R210 PolarHBondContact O-N 3.01Å
207I94.4Very high87.3Confident0 Ų050.7 Ų50.70%025%0.248CC..Hα-helixtrans-57.4-53174.2-73161.2000109.7G125 I128 E129 I166 N170 S203 M204 Q209 R210 I211G125-I207 WeakPolarHBondContact O-CD1 3.17Å; I128-I207 HydrophobicContact CB-CD1 3.91Å; I128-I207 HydrophobicContact CG2-CD1 3.84Å; E129-I207 HydrophobicContact CG-CD1 4.25Å; I166-I207 HydrophobicContact CG2-CG2 3.8Å; N170-I207 HydrophobicContact CB-CG2 3.99Å; S203-I207 WeakPolarHBondContact O-CG1 3Å; S203-I207 PolarHBondContact O-N 3.25Å; M204-I207 WeakPolarHBondContact O-CB 3.39Å; M204-I207 PolarHBondContact O-N 2.93Å; I207-Q209 VanDerWaalsContact C-N 3.34Å; I207-Q209 PolarHBondContact O-N 3.3Å; I207-R210 VanDerWaalsContact CG1-NH2 3.34Å; I207-R210 PolarHBondContact O-N 3.15Å; I207-I211 HydrophobicContact CG2-CD1 3.73Å; I207-I211 HydrophobicContact CG2-CG1 4.48Å; I207-I211 VanDerWaalsContact O-CG1 3.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.48Å; I207-I211 PolarHBondContact O-N 2.71Å
208Y90.5Very high88Confident15 Ų1548.3 Ų48.36%0.05923%0.233CC..Hα-helixtrans-63.3-39.8-179.8-86-91.4000112.6I166 P192 I193 P196 M204 A205 R210 I211 H212I166-Y208 HydrophobicContact CD1-CE1 4.2Å; I166-Y208 VanDerWaalsContact CD1-OH 3.28Å; I166-Y208 WeakPolarHBondContact CD1-OH 3.22Å; I166-Y208 HydrophobicContact CG2-CE2 4.12Å; P192-Y208 WeakPolarHBondContact O-CE1 3.22Å; P192-Y208 PolarHBondContact O-OH 3.42Å; I193-Y208 WeakPolarHBondContact O-CE1 3.35Å; P196-Y208 WeakPolarHBondContact CA-OH 3.45Å; P196-Y208 HydrophobicContact CB-CD2 4.12Å; P196-Y208 HydrophobicContact CB-CE1 4.5Å; P196-Y208 HydrophobicContact CB-CE2 3.5Å; P196-Y208 HydrophobicContact CG-CD2 3.95Å; P196-Y208 HydrophobicContact CG-CE2 3.85Å; P196-Y208 HydrophobicContact CG-CG 4.36Å; M204-Y208 HydrophobicContact CG-CD2 4.06Å; M204-Y208 HydrophobicContact CG-CE2 4.07Å; M204-Y208 WeakPolarHBondContact O-CD2 3.5Å; M204-Y208 PolarHBondContact O-N 2.77Å; M204-Y208 HydrophobicContact SD-CD2 4.1Å; M204-Y208 HydrophobicContact SD-CE2 3.71Å; A205-Y208 PolarHBondContact O-N 3.22Å; Y208-R210 VanDerWaalsContact C-N 3.35Å; Y208-R210 PolarHBondContact O-N 3.03Å; Y208-I211 PolarHBondContact O-N 3.1Å; Y208-H212 PolarHBondContact O-N 2.81Å; Y208-H212 PolarHBondContact O-ND1 3.5Å
209Q91.9Very high89Confident72 Ų7245.4 Ų45.434%0.33622%0.22SC..Hα-helixtrans-59.1-44.4174.9-171.5-17815.300112A205 Q206 I207 I211 H212 N213A205-Q209 WeakPolarHBondContact O-CB 3.48Å; A205-Q209 PolarHBondContact O-N 3.04Å; Q206-Q209 PolarHBondContact O-N 3.48Å; I207-Q209 VanDerWaalsContact C-N 3.34Å; I207-Q209 PolarHBondContact O-N 3.3Å; Q209-I211 VanDerWaalsContact C-N 3.35Å; Q209-H212 PolarHBondContact O-N 2.64Å; Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.23Å; Q209-N213 PolarHBondContact O-N 3.4Å; Q209-N213 PolarHBondContact O-ND2 3.3Å
210R95.3Very high89.8Confident75 Ų7545.2 Ų45.228%0.28322%0.219SC..Hα-helixtrans-63.4-41.1175.5-72-174.8-57.1-153.4-2.8111.9E129 N170 S173 Q206 I207 Y208 N213 Y214E129-R210 VanDerWaalsContact CD-NH2 3.28Å; E129-R210 IonicContact OE1-CZ 2.9Å; E129-R210 IonicContact OE1-NH1 2.77Å; E129-R210 PolarHBondContact OE1-NH1 3.43Å; E129-R210 IonicContact OE1-NH2 3.28Å; E129-R210 PolarHBondContact OE1-NH2 3.12Å; E129-R210 IonicContact OE2-NH2 3.82Å; N170-R210 PolarHBondContact OD1-NH2 2.78Å; S173-R210 WeakPolarHBondContact CB-O 3.38Å; Q206-R210 WeakPolarHBondContact O-CG 3.27Å; Q206-R210 PolarHBondContact O-N 3.01Å; I207-R210 VanDerWaalsContact CG1-NH2 3.34Å; I207-R210 PolarHBondContact O-N 3.15Å; Y208-R210 VanDerWaalsContact C-N 3.35Å; Y208-R210 PolarHBondContact O-N 3.03Å; R210-N213 PolarHBondContact O-N 3.01Å; R210-Y214 WeakPolarHBondContact O-CB 3.36Å; R210-Y214 PolarHBondContact O-N 3.38Å
211I94.6Very high90.7Very high0 Ų046 Ų460%022%0.22CC..Hα-helixtrans-60.9-47.9177.1-68.5169.6000110.5I166 F169 I207 Y208 Q209 Y214 L215I166-I211 HydrophobicContact CG2-CD1 3.88Å; F169-I211 HydrophobicContact CB-CB 4.46Å; F169-I211 HydrophobicContact CB-CD1 3.69Å; F169-I211 HydrophobicContact CB-CG1 3.75Å; F169-I211 HydrophobicContact CB-CG2 3.89Å; F169-I211 HydrophobicContact CG-CG2 4.43Å; I207-I211 HydrophobicContact CG2-CD1 3.73Å; I207-I211 HydrophobicContact CG2-CG1 4.48Å; I207-I211 VanDerWaalsContact O-CG1 3.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.48Å; I207-I211 PolarHBondContact O-N 2.71Å; Y208-I211 PolarHBondContact O-N 3.1Å; Q209-I211 VanDerWaalsContact C-N 3.35Å; I211-Y214 WeakPolarHBondContact O-CB 3.17Å; I211-Y214 PolarHBondContact O-N 2.77Å; I211-L215 HydrophobicContact CG2-CD1 3.84Å; I211-L215 HydrophobicContact CG2-CG 4.24Å; I211-L215 WeakPolarHBondContact O-CG 3.4Å; I211-L215 PolarHBondContact O-N 2.53Å
212H91.8Very high91.1Very high47 Ų4749.1 Ų49.122%0.21824%0.243CC..Hα-helixtrans-61.6-48.5179.6-75.259000111.2Y194 Y208 Q209 Y214 L215 D216 Y251Y194-H212 PolarHBondContact O-CE1 3.49Å; Y194-H212 PolarHBondContact O-NE2 3.39Å; Y208-H212 PolarHBondContact O-N 2.81Å; Y208-H212 PolarHBondContact O-ND1 3.5Å; Q209-H212 PolarHBondContact O-N 2.64Å; H212-Y214 VanDerWaalsContact C-N 3.25Å; H212-Y214 PolarHBondContact O-N 2.83Å; H212-L215 PolarHBondContact O-N 3.22Å; H212-D216 WeakPolarHBondContact O-CB 3.35Å; H212-D216 PolarHBondContact O-N 3.19Å; H212-Y251 WeakPolarHBondContact CA-OH 3.4Å; H212-Y251 PolarHBondContact CD2-OH 2.84Å
213N94.1Very high91.2Very high50 Ų5045.5 Ų45.527%0.26724%0.237SC..Hα-helixtrans-57-40.4176.4-70.9-19000112.1Q209 R210 Q217Q209-N213 WeakPolarHBondContact O-CB 3.47Å; Q209-N213 VanDerWaalsContact O-CG 3.23Å; Q209-N213 PolarHBondContact O-N 3.4Å; Q209-N213 PolarHBondContact O-ND2 3.3Å; R210-N213 PolarHBondContact O-N 3.01Å; N213-Q217 WeakPolarHBondContact O-CB 3.32Å; N213-Q217 WeakPolarHBondContact O-CG 3.35Å; N213-Q217 PolarHBondContact O-N 3.35Å
214Y94.8Very high91.4Very high10 Ų1045.2 Ų45.24%0.03923%0.233CC..Hα-helixtrans-66.7-48.1176.5170.8-100.5000111.9L172 S173 I178 R210 I211 H212 D216 Q217 I218 Y224 L226L172-Y214 HydrophobicContact CB-CE1 3.91Å; L172-Y214 HydrophobicContact CD1-CE1 4.5Å; S173-Y214 VanDerWaalsContact CB-CB 3.47Å; I178-Y214 HydrophobicContact CG1-CD2 4.36Å; I178-Y214 HydrophobicContact CG1-CE2 4.22Å; R210-Y214 WeakPolarHBondContact O-CB 3.36Å; R210-Y214 PolarHBondContact O-N 3.38Å; I211-Y214 WeakPolarHBondContact O-CB 3.17Å; I211-Y214 PolarHBondContact O-N 2.77Å; H212-Y214 VanDerWaalsContact C-N 3.25Å; H212-Y214 PolarHBondContact O-N 2.83Å; Y214-D216 VanDerWaalsContact C-N 3.33Å; Y214-D216 PolarHBondContact O-N 2.86Å; Y214-Q217 PolarHBondContact O-N 3.12Å; Y214-Q217 VanDerWaalsContact O-N 3.13Å; Y214-I218 HydrophobicContact CD1-CD1 4.43Å; Y214-I218 HydrophobicContact CD2-CG2 4.18Å; Y214-I218 HydrophobicContact CE1-CD1 3.78Å; Y214-I218 HydrophobicContact CE1-CG1 4.47Å; Y214-I218 HydrophobicContact CE1-CG2 4.32Å; Y214-I218 HydrophobicContact CE2-CG2 3.68Å; Y214-I218 WeakPolarHBondContact O-CG1 3.5Å; Y214-I218 PolarHBondContact O-N 3.33Å; Y214-Y224 PolarHBondContact OH-OH 3.29Å; Y214-L226 HydrophobicContact CE1-CD2 4.47Å
215L93.4Very high91.7Very high2 Ų246.8 Ų46.81%0.0124%0.244CC..Hα-helixtrans-60.9-42178.9-68177.1000111.6F169 I193 I211 H212 I218 S219 I228 Y251 L254F169-L215 HydrophobicContact CD1-CD2 4.39Å; F169-L215 HydrophobicContact CE1-CD2 4.33Å; I193-L215 HydrophobicContact CG2-CD1 4.3Å; I211-L215 HydrophobicContact CG2-CD1 3.84Å; I211-L215 HydrophobicContact CG2-CG 4.24Å; I211-L215 WeakPolarHBondContact O-CG 3.4Å; I211-L215 PolarHBondContact O-N 2.53Å; H212-L215 PolarHBondContact O-N 3.22Å; L215-I218 HydrophobicContact CD2-CD1 4.19Å; L215-I218 WeakPolarHBondContact O-CG1 3.46Å; L215-I218 PolarHBondContact O-N 3.25Å; L215-S219 WeakPolarHBondContact O-CB 3.47Å; L215-S219 PolarHBondContact O-N 3.18Å; L215-S219 PolarHBondContact O-OG 3.02Å; L215-I228 HydrophobicContact CD2-CD1 3.9Å; L215-Y251 HydrophobicContact CB-CD1 4.38Å; L215-Y251 HydrophobicContact CB-CD2 4.16Å; L215-Y251 HydrophobicContact CB-CE1 4.12Å; L215-Y251 HydrophobicContact CB-CE2 3.87Å; L215-Y251 HydrophobicContact CB-CG 4.39Å; L215-Y251 HydrophobicContact CD1-CD2 4.19Å; L215-Y251 HydrophobicContact CD1-CE2 3.69Å; L215-Y251 HydrophobicContact CG-CE2 4.44Å; L215-L254 HydrophobicContact CB-CD1 4.35Å; L215-L254 HydrophobicContact CD2-CD1 3.94Å
216D90.8Very high92.1Very high55 Ų5546 Ų4629%0.29424%0.237SC..Hα-helixtrans-62.5-39.9172.5-90.7-36000112.8H212 Y214 S219 N220 Y251H212-D216 WeakPolarHBondContact O-CB 3.35Å; H212-D216 PolarHBondContact O-N 3.19Å; Y214-D216 VanDerWaalsContact C-N 3.33Å; Y214-D216 PolarHBondContact O-N 2.86Å; D216-S219 PolarHBondContact O-OG 3.49Å; D216-N220 PolarHBondContact O-N 3.43Å; D216-N220 PolarHBondContact O-ND2 3.41Å; D216-Y251 HydrophobicContact CB-CE1 4.41Å; D216-Y251 WeakPolarHBondContact OD1-CD1 3.38Å; D216-Y251 WeakPolarHBondContact OD1-CE1 3.44Å
217Q93.4Very high92.2Very high104 Ų10442.2 Ų42.249%0.48622%0.219SC..Hα-helixtrans-66.6-44.6178.1-77.3168.92.900111.4I178 N213 Y214 N220 I221I178-Q217 HydrophobicContact CD1-CB 4.06Å; N213-Q217 WeakPolarHBondContact O-CB 3.32Å; N213-Q217 WeakPolarHBondContact O-CG 3.35Å; N213-Q217 PolarHBondContact O-N 3.35Å; Y214-Q217 PolarHBondContact O-N 3.12Å; Y214-Q217 VanDerWaalsContact O-N 3.13Å; Q217-N220 PolarHBondContact O-N 3.14Å; Q217-I221 WeakPolarHBondContact O-CG1 3.44Å
218I93.5Very high92.3Very high4 Ų442.2 Ų42.22%0.02122%0.219CC..Hα-helixtrans-75.1-28.8-17866.1166.8000113.1I178 Y214 L215 N220 I221 Y224 L226 L254I178-I218 HydrophobicContact CG2-CG2 4.38Å; Y214-I218 HydrophobicContact CD1-CD1 4.43Å; Y214-I218 HydrophobicContact CD2-CG2 4.18Å; Y214-I218 HydrophobicContact CE1-CD1 3.78Å; Y214-I218 HydrophobicContact CE1-CG1 4.47Å; Y214-I218 HydrophobicContact CE1-CG2 4.32Å; Y214-I218 HydrophobicContact CE2-CG2 3.68Å; Y214-I218 WeakPolarHBondContact O-CG1 3.5Å; Y214-I218 PolarHBondContact O-N 3.33Å; L215-I218 HydrophobicContact CD2-CD1 4.19Å; L215-I218 WeakPolarHBondContact O-CG1 3.46Å; L215-I218 PolarHBondContact O-N 3.25Å; I218-N220 PolarHBondContact O-N 3.25Å; I218-I221 PolarHBondContact O-N 3.01Å; I218-I221 VanDerWaalsContact O-N 3.11Å; I218-Y224 HydrophobicContact CB-CD1 3.75Å; I218-Y224 HydrophobicContact CB-CD2 4.32Å; I218-Y224 HydrophobicContact CB-CE1 3.86Å; I218-Y224 HydrophobicContact CB-CE2 4.46Å; I218-Y224 HydrophobicContact CB-CG 3.98Å; I218-Y224 HydrophobicContact CD1-CD1 4.02Å; I218-Y224 HydrophobicContact CD1-CE1 3.95Å; I218-Y224 HydrophobicContact CG1-CD1 4.43Å; I218-Y224 HydrophobicContact CG2-CD1 4.02Å; I218-Y224 HydrophobicContact CG2-CD2 4.27Å; I218-Y224 HydrophobicContact CG2-CE1 3.61Å; I218-Y224 HydrophobicContact CG2-CE2 3.92Å; I218-Y224 HydrophobicContact CG2-CG 4.32Å; I218-L226 HydrophobicContact CD1-CD2 4.05Å; I218-L254 HydrophobicContact CD1-CD1 3.77Å; I218-L254 HydrophobicContact CD1-CG 4.45Å; I218-L254 HydrophobicContact CG1-CD1 3.76Å
219S90.8Very high92.6Very high17 Ų1741.5 Ų41.512%0.11922%0.216CC..Hα-helixtrans-64-26174.271.50000112.1L215 D216 A253L215-S219 WeakPolarHBondContact O-CB 3.47Å; L215-S219 PolarHBondContact O-N 3.18Å; L215-S219 PolarHBondContact O-OG 3.02Å; D216-S219 PolarHBondContact O-OG 3.49Å; S219-A253 WeakPolarHBondContact O-CB 3.45Å
220N91.2Very high92.8Very high85 Ų8538 Ų3846%0.45520%0.2SC..THydrogen-bonded Turntrans-84.8-7176.5-75.6-54.4000114.3D216 Q217 I218 R895D216-N220 PolarHBondContact O-N 3.43Å; D216-N220 PolarHBondContact O-ND2 3.41Å; Q217-N220 PolarHBondContact O-N 3.14Å; I218-N220 PolarHBondContact O-N 3.25Å; N220-R895 PolarHBondContact OD1-NH1 3.04Å
221I91.5Very high92.9Very high68 Ų6834.5 Ų34.535%0.34919%0.187SC..SBendtrans-96.5114179.5-62.4169000108.5I178 Q217 I218 N223 Y224I178-I221 HydrophobicContact CG2-CD1 3.51Å; Q217-I221 WeakPolarHBondContact O-CG1 3.44Å; I218-I221 PolarHBondContact O-N 3.01Å; I218-I221 VanDerWaalsContact O-N 3.11Å; I221-N223 PolarHBondContact O-N 3Å; I221-Y224 HydrophobicContact CB-CD2 4.21Å; I221-Y224 HydrophobicContact CD1-CD2 4.15Å; I221-Y224 HydrophobicContact CD1-CE2 4.4Å; I221-Y224 HydrophobicContact CG2-CD2 4.04Å; I221-Y224 PolarHBondContact O-N 2.81Å
222P88Confident92.9Very high114 Ų11434.8 Ų34.874%0.7419%0.189SC*.THydrogen-bonded Turntrans-62.3135.1179.525.3-32.5000110.5Y224P222-Y224 VanDerWaalsContact C-N 3.27Å; P222-Y224 PolarHBondContact O-N 2.97Å
223N86.8Confident92.9Very high110 Ų11032.6 Ų32.659%0.58818%0.178SC*.THydrogen-bonded Turntrans5635.3179.9-60.6-21.6000114.4I221I221-N223 PolarHBondContact O-N 3Å
224Y91.2Very high92.5Very high14 Ų1430.3 Ų30.36%0.05517%0.167CC..  trans-56.4131.9172.2-166.5-104.6000110.8I178 T181 Y214 I218 I221 P222 L226 N255 P300I178-Y224 HydrophobicContact CG2-CE2 3.65Å; I178-Y224 WeakPolarHBondContact O-CE2 3.43Å; I178-Y224 PolarHBondContact O-OH 3.41Å; T181-Y224 WeakPolarHBondContact CG2-OH 3.34Å; Y214-Y224 PolarHBondContact OH-OH 3.29Å; I218-Y224 HydrophobicContact CB-CD1 3.75Å; I218-Y224 HydrophobicContact CB-CD2 4.32Å; I218-Y224 HydrophobicContact CB-CE1 3.86Å; I218-Y224 HydrophobicContact CB-CE2 4.46Å; I218-Y224 HydrophobicContact CB-CG 3.98Å; I218-Y224 HydrophobicContact CD1-CD1 4.02Å; I218-Y224 HydrophobicContact CD1-CE1 3.95Å; I218-Y224 HydrophobicContact CG1-CD1 4.43Å; I218-Y224 HydrophobicContact CG2-CD1 4.02Å; I218-Y224 HydrophobicContact CG2-CD2 4.27Å; I218-Y224 HydrophobicContact CG2-CE1 3.61Å; I218-Y224 HydrophobicContact CG2-CE2 3.92Å; I218-Y224 HydrophobicContact CG2-CG 4.32Å; I221-Y224 HydrophobicContact CB-CD2 4.21Å; I221-Y224 HydrophobicContact CD1-CD2 4.15Å; I221-Y224 HydrophobicContact CD1-CE2 4.4Å; I221-Y224 HydrophobicContact CG2-CD2 4.04Å; I221-Y224 PolarHBondContact O-N 2.81Å; P222-Y224 VanDerWaalsContact C-N 3.27Å; P222-Y224 PolarHBondContact O-N 2.97Å; Y224-L226 VanDerWaalsContact C-N 3.28Å; Y224-L226 HydrophobicContact CD1-CB 3.64Å; Y224-L226 HydrophobicContact CE1-CB 3.51Å; Y224-L226 HydrophobicContact CE1-CD2 4.4Å; Y224-L226 PolarHBondContact O-N 3.22Å; Y224-N255 PolarHBondContact O-ND2 2.9Å; Y224-P300 WeakPolarHBondContact O-CG 3.42Å
225P91Very high91.8Very high40 Ų4031.5 Ų31.526%0.2618%0.177SC..SBendtrans-72.1-14.5-167.227-36000114.6V227 R303P225-V227 PolarHBondContact O-N 3.49Å; P225-R303 PolarHBondContact O-NH2 3.41Å
226L92.9Very high91.5Very high4 Ų433.2 Ų33.22%0.02118%0.183CC..  trans-74.8127.7-178.2-178.263000111.1L172 V183 V186 Y214 I218 Y224 I228 N255L172-L226 HydrophobicContact CD1-CD2 4.02Å; V183-L226 HydrophobicContact CG1-CD1 3.97Å; V186-L226 HydrophobicContact CG2-CD1 3.93Å; Y214-L226 HydrophobicContact CE1-CD2 4.47Å; I218-L226 HydrophobicContact CD1-CD2 4.05Å; Y224-L226 VanDerWaalsContact C-N 3.28Å; Y224-L226 HydrophobicContact CD1-CB 3.64Å; Y224-L226 HydrophobicContact CE1-CB 3.51Å; Y224-L226 HydrophobicContact CE1-CD2 4.4Å; Y224-L226 PolarHBondContact O-N 3.22Å; L226-I228 HydrophobicContact CD2-CD1 4.14Å; L226-I228 HydrophobicContact CD2-CG1 4.05Å; L226-I228 HydrophobicContact CG-CG1 4Å; L226-N255 WeakPolarHBondContact O-CB 3.27Å
227V94.4Very high91.5Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-105.6131.3167.11770000109.3K184 L185 V186 P225 I229 N255 P300 R303 L304K184-V227 PolarHBondContact O-N 2.99Å; L185-V227 WeakPolarHBondContact CA-O 3.48Å; L185-V227 HydrophobicContact CD1-CB 4.07Å; L185-V227 HydrophobicContact CD1-CG1 3.96Å; V186-V227 PolarHBondContact N-O 2.74Å; P225-V227 PolarHBondContact O-N 3.49Å; V227-I229 HydrophobicContact CG1-CD1 3.86Å; V227-I229 HydrophobicContact CG1-CG1 4.37Å; V227-N255 WeakPolarHBondContact CA-O 3.37Å; V227-N255 HydrophobicContact CG2-CB 4.43Å; V227-P300 HydrophobicContact CG2-CB 4.07Å; V227-P300 WeakPolarHBondContact CG2-O 3.38Å; V227-R303 HydrophobicContact CG2-CB 4.17Å; V227-L304 HydrophobicContact CG1-CB 4.16Å; V227-L304 HydrophobicContact CG1-CD1 3.94Å; V227-L304 HydrophobicContact CG2-CB 4.42Å
228I96Very high90.9Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-117.2120.7178.5-51.9174.8000110.2F169 L215 L226 I247 L254 N255 S256 L257F169-I228 HydrophobicContact CE1-CD1 3.59Å; F169-I228 HydrophobicContact CE1-CG1 4.28Å; F169-I228 HydrophobicContact CE1-CG2 4.46Å; F169-I228 HydrophobicContact CZ-CD1 3.93Å; F169-I228 HydrophobicContact CZ-CG1 4.36Å; F169-I228 HydrophobicContact CZ-CG2 3.74Å; L215-I228 HydrophobicContact CD2-CD1 3.9Å; L226-I228 HydrophobicContact CD2-CD1 4.14Å; L226-I228 HydrophobicContact CD2-CG1 4.05Å; L226-I228 HydrophobicContact CG-CG1 4Å; I228-I247 HydrophobicContact CB-CD1 3.83Å; I228-I247 HydrophobicContact CD1-CD1 4.18Å; I228-I247 HydrophobicContact CG2-CD1 3.37Å; I228-L254 HydrophobicContact CB-CD2 4.42Å; I228-L254 HydrophobicContact CD1-CD2 3.6Å; I228-L254 HydrophobicContact CG1-CD2 4.09Å; I228-N255 PolarHBondContact N-O 3.02Å; I228-S256 CarbonylContact O-C 3.52Å; I228-S256 WeakPolarHBondContact O-CA 3.39Å; I228-S256 WeakPolarHBondContact O-CB 3.3Å; I228-L257 PolarHBondContact O-N 3.42Å
229I96.9Very high90.6Very high0 Ų033.8 Ų33.80%018%0.183CC..EExtended strand (participates in β ladder)trans-109.7111.2173.2-48.5-60.1000108L185 V186 L187 S188 V227 I231 L257 L304 F307 L311L185-I229 HydrophobicContact CD1-CG1 4Å; V186-I229 PolarHBondContact O-N 2.92Å; L187-I229 CarbonylContact C-O 3.55Å; L187-I229 WeakPolarHBondContact CA-O 3.35Å; L187-I229 HydrophobicContact CD1-CB 4.22Å; L187-I229 HydrophobicContact CD1-CG1 4.22Å; L187-I229 HydrophobicContact CG-CB 4.13Å; S188-I229 PolarHBondContact N-O 3.44Å; V227-I229 HydrophobicContact CG1-CD1 3.86Å; V227-I229 HydrophobicContact CG1-CG1 4.37Å; I229-I231 HydrophobicContact CG2-CD1 4.07Å; I229-I231 HydrophobicContact CG2-CG1 4.07Å; I229-L257 CarbonylContact C-O 3.57Å; I229-L257 WeakPolarHBondContact CA-O 3.03Å; I229-L257 HydrophobicContact CD1-CB 3.79Å; I229-L257 HydrophobicContact CD1-CD2 4.38Å; I229-L304 HydrophobicContact CD1-CD1 3.89Å; I229-F307 HydrophobicContact CD1-CB 3.7Å; I229-F307 HydrophobicContact CD1-CD2 3.88Å; I229-F307 HydrophobicContact CD1-CG 3.81Å; I229-F307 HydrophobicContact CG1-CB 4.34Å; I229-F307 HydrophobicContact CG1-CD1 4.33Å; I229-F307 HydrophobicContact CG1-CD2 3.98Å; I229-F307 HydrophobicContact CG1-CE2 4.36Å; I229-F307 HydrophobicContact CG1-CG 3.96Å; I229-L311 HydrophobicContact CG2-CD1 3.84Å
230S96.7Very high90.3Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-104.3117.2179-1690000110.4G245 L257 S258 L259S230-G245 VanDerWaalsContact CB-O 3.27Å; S230-G245 WeakPolarHBondContact CB-O 3.27Å; S230-G245 PolarHBondContact OG-O 3.28Å; S230-L257 PolarHBondContact N-O 3.3Å; S230-S258 CarbonylContact O-C 3.59Å; S230-S258 WeakPolarHBondContact O-CA 3.28Å; S230-L259 PolarHBondContact O-N 2.63Å
231I97.1Very high89.8Confident1 Ų130.4 Ų30.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-120.6118.2-177.2-59.8170.8000109.4S188 L189 A190 I229 L259 T261 I264 I276 L286 L311S188-I231 PolarHBondContact O-N 3.34Å; L189-I231 CarbonylContact C-O 3.52Å; L189-I231 WeakPolarHBondContact CA-O 3.46Å; L189-I231 HydrophobicContact CD2-CB 4.12Å; L189-I231 HydrophobicContact CD2-CD1 4.25Å; A190-I231 PolarHBondContact N-O 3.39Å; I229-I231 HydrophobicContact CG2-CD1 4.07Å; I229-I231 HydrophobicContact CG2-CG1 4.07Å; I231-L259 CarbonylContact C-O 3.58Å; I231-L259 WeakPolarHBondContact CA-O 3.36Å; I231-T261 HydrophobicContact CG2-CG2 3.68Å; I231-I264 HydrophobicContact CD1-CD1 3.81Å; I231-I264 HydrophobicContact CG1-CD1 4.09Å; I231-I264 HydrophobicContact CG2-CD1 3.63Å; I231-I276 HydrophobicContact CG2-CD1 4.22Å; I231-I276 WeakPolarHBondContact O-CD1 3.41Å; I231-L286 HydrophobicContact CD1-CD2 3.51Å; I231-L311 HydrophobicContact CD1-CD1 4.32Å
232T94Very high89.4Confident6 Ų628.5 Ų28.54%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-100.8159.3178.5640000112G234 D242 L259 S260 T261T232-G234 VanDerWaalsContact C-N 3.27Å; T232-G234 PolarHBondContact O-N 3.06Å; T232-D242 WeakPolarHBondContact CB-OD1 3.2Å; T232-D242 VanDerWaalsContact OG1-CG 3.23Å; T232-D242 PolarHBondContact OG1-OD1 3.02Å; T232-L259 PolarHBondContact N-O 2.91Å; T232-S260 CarbonylContact O-C 3.56Å; T232-S260 WeakPolarHBondContact O-CA 3.21Å; T232-T261 WeakPolarHBondContact O-CG2 3.24Å; T232-T261 PolarHBondContact O-N 2.77Å; T232-T261 PolarHBondContact O-OG1 2.78Å
233G91.7Very high88.8Confident0 Ų025.4 Ų25.40%013%0.133CC..  trans-71.6-15.7-177.400000114.6T261 S270 C271G233-T261 PolarHBondContact O-OG1 2.74Å; G233-S270 CarbonylContact O-C 3.59Å; G233-S270 WeakPolarHBondContact O-CA 3.31Å; G233-S270 PolarHBondContact O-OG 3.23Å; G233-C271 CarbonylContact C-O 3.57Å; G233-C271 VanDerWaalsContact C-O 3.27Å; G233-C271 VanDerWaalsContact CA-O 3.22Å; G233-C271 WeakPolarHBondContact CA-O 3.36Å; G233-C271 PolarHBondContact O-N 3.29Å
234G87Confident88.7Confident3 Ų321.1 Ų21.13%0.03111%0.11CC..  trans83.4-162.3-17300000112.3T232 R236 D237 D242 S270T232-G234 VanDerWaalsContact C-N 3.27Å; T232-G234 PolarHBondContact O-N 3.06Å; G234-R236 PolarHBondContact O-N 2.77Å; G234-D237 PolarHBondContact O-N 3.4Å; G234-D242 WeakPolarHBondContact CA-OD1 3.33Å; G234-D242 VanDerWaalsContact CA-OD2 3.31Å; G234-D242 WeakPolarHBondContact CA-OD2 3.46Å; G234-D242 PolarHBondContact N-OD1 3.01Å; G234-S270 VanDerWaalsContact C-OG 3.29Å; G234-S270 WeakPolarHBondContact CA-OG 3.22Å
235S79.9Confident88.5Confident35 Ų3520.5 Ų20.525%0.24511%0.108CC..THydrogen-bonded Turntrans-55.6-25.3-177.161.60000115.4E33 S270E33-S235 PolarHBondContact OE2-OG 3.47Å; S235-S270 PolarHBondContact N-OG 3.02Å; S235-S270 VanDerWaalsContact N-OG 3.15Å
236R87.7Confident88Confident37 Ų3720.2 Ų20.214%0.1410%0.104CC..THydrogen-bonded Turntrans-81.7-17.3177.7-71.6-177.95181.99.4113.8E33 G234 R238 S270 D272E33-R236 HydrophobicContact CB-CG 4.19Å; E33-R236 WeakPolarHBondContact O-CD 3.32Å; E33-R236 PolarHBondContact O-NH1 3Å; G234-R236 PolarHBondContact O-N 2.77Å; R236-R238 PolarHBondContact O-N 3.23Å; R236-R238 VanDerWaalsContact O-N 3.11Å; R236-S270 WeakPolarHBondContact CB-OG 3.1Å; R236-S270 WeakPolarHBondContact CD-O 3.24Å; R236-S270 PolarHBondContact N-OG 2.79Å; R236-D272 HydrophobicContact CB-CB 4.34Å; R236-D272 IonicContact CZ-OD2 3.04Å; R236-D272 IonicContact NH2-OD2 2.83Å; R236-D272 PolarHBondContact NH2-OD2 3.19Å; R236-D272 WeakPolarHBondContact O-CA 3.21Å
237D89Confident87.7Confident6 Ų620 Ų203%0.03210%0.103CC..  trans-77.798.5172.3-164.7-22.4000109.8A190 G234 I239 V240 C271 H273A190-D237 WeakPolarHBondContact CB-OD2 3.46Å; G234-D237 PolarHBondContact O-N 3.4Å; D237-I239 VanDerWaalsContact C-N 3.31Å; D237-I239 PolarHBondContact OD1-N 3.47Å; D237-V240 PolarHBondContact OD1-N 2.79Å; D237-C271 PolarHBondContact N-O 3.42Å; D237-H273 WeakPolarHBondContact OD1-CB 3.47Å; D237-H273 IonicContact OD1-CG 3.34Å; D237-H273 IonicContact OD1-ND1 3.48Å; D237-H273 PolarHBondContact OD1-ND1 3.24Å; D237-H273 IonicContact OD2-CE1 3.09Å; D237-H273 IonicContact OD2-CG 2.72Å; D237-H273 IonicContact OD2-ND1 2.74Å; D237-H273 PolarHBondContact OD2-ND1 2.76Å
238R82.1Confident87Confident72 Ų7221.6 Ų21.627%0.27211%0.112SC..SBendtrans-86.6-2.3179.1-64.4-176.6174.8163.4-2.9113.4W28 Y29 R236W28-R238 HydrophobicContact CH2-CB 4.05Å; W28-R238 HydrophobicContact CH2-CG 4.2Å; W28-R238 HydrophobicContact CZ2-CB 3.83Å; W28-R238 HydrophobicContact CZ2-CG 3.67Å; W28-R238 PolarHBondContact O-NH2 3.04Å; Y29-R238 VanDerWaalsContact C-NH2 3.25Å; Y29-R238 VanDerWaalsContact CD2-NH1 3.32Å; Y29-R238 PolarHBondContact O-NH1 2.78Å; Y29-R238 PolarHBondContact O-NH2 2.98Å; R236-R238 PolarHBondContact O-N 3.23Å; R236-R238 VanDerWaalsContact O-N 3.11Å
239I85.9Confident85.9Confident97 Ų9724 Ų2450%0.49712%0.123SC..SBendtrans-99.9-48.6179.8-58.8-176.9000109.4V197 D237 H273V197-I239 VanDerWaalsContact CG1-O 3.31Å; V197-I239 WeakPolarHBondContact CG1-O 3.3Å; D237-I239 VanDerWaalsContact C-N 3.31Å; D237-I239 PolarHBondContact OD1-N 3.47Å; I239-H273 HydrophobicContact CB-CB 4.25Å; I239-H273 HydrophobicContact CD1-CB 3.87Å; I239-H273 HydrophobicContact CG1-CB 4.17Å
240V86.1Confident84.9Confident1 Ų125.5 Ų25.51%0.00614%0.135CC..SBendtrans-118102.1-179-178.30000109.4P192 V197 D237 L244P192-V240 HydrophobicContact CB-CG1 3.95Å; P192-V240 HydrophobicContact CG-CG2 4.49Å; V197-V240 HydrophobicContact CG2-CG2 3.88Å; D237-V240 PolarHBondContact OD1-N 2.79Å; V240-L244 HydrophobicContact CG1-CB 4.26Å
241P81Confident84.3Confident31 Ų3126.2 Ų26.220%0.20114%0.138CC..  trans-59.7145.7172.5-23.133.2000112.2L243 L244 L633P241-L243 PolarHBondContact O-N 3.18Å; P241-L243 VanDerWaalsContact O-N 3.1Å; P241-L244 HydrophobicContact CG-CD1 4.49Å; P241-L244 PolarHBondContact O-N 3.22Å; P241-L633 HydrophobicContact CB-CD2 4.25Å; P241-L633 HydrophobicContact CG-CD2 4.34Å
242D81.9Confident83.5Confident28 Ų2831 Ų3115%0.1517%0.169CC..G310 helixtrans-52.3-37.2-178.5-71.8-19.5000113.7T232 G234 L244 G245 N246T232-D242 WeakPolarHBondContact CB-OD1 3.2Å; T232-D242 VanDerWaalsContact OG1-CG 3.23Å; T232-D242 PolarHBondContact OG1-OD1 3.02Å; G234-D242 WeakPolarHBondContact CA-OD1 3.33Å; G234-D242 VanDerWaalsContact CA-OD2 3.31Å; G234-D242 WeakPolarHBondContact CA-OD2 3.46Å; G234-D242 PolarHBondContact N-OD1 3.01Å; D242-L244 PolarHBondContact O-N 3.01Å; D242-G245 PolarHBondContact O-N 2.94Å; D242-N246 PolarHBondContact O-N 3.25Å
243L76.7Confident83.2Confident48 Ų4834.2 Ų34.225%0.25120%0.196SC..G310 helixtrans-56.3-34.8179.7-177.565.9000112.4P241 G245 N246P241-L243 PolarHBondContact O-N 3.18Å; P241-L243 VanDerWaalsContact O-N 3.1Å; L243-G245 PolarHBondContact O-N 2.89Å; L243-N246 PolarHBondContact O-N 2.93Å
244L83.7Confident83.1Confident20 Ų2034.9 Ų34.911%0.10520%0.2CC..G310 helixtrans-73.8-15.9-177.9-55.3-171.3000113P192 I193 Y194 Q195 V197 V240 P241 D242P192-L244 CarbonylContact C-O 3.53Å; P192-L244 VanDerWaalsContact C-O 3.26Å; P192-L244 WeakPolarHBondContact CA-O 3.37Å; P192-L244 HydrophobicContact CB-CB 4.05Å; P192-L244 HydrophobicContact CB-CD1 4.25Å; I193-L244 PolarHBondContact N-O 3.37Å; Y194-L244 WeakPolarHBondContact CB-O 3.5Å; Y194-L244 PolarHBondContact N-O 3.22Å; Q195-L244 HydrophobicContact CB-CD2 4.12Å; V197-L244 HydrophobicContact CG2-CD1 4.01Å; V240-L244 HydrophobicContact CG1-CB 4.26Å; P241-L244 HydrophobicContact CG-CD1 4.49Å; P241-L244 PolarHBondContact O-N 3.22Å; D242-L244 PolarHBondContact O-N 3.01Å
245G86.2Confident83.3Confident1 Ų136 Ų361%0.0121%0.205CC..G310 helixtrans-97.8-7.5175.800000114S230 D242 L243 I247S230-G245 VanDerWaalsContact CB-O 3.27Å; S230-G245 WeakPolarHBondContact CB-O 3.27Å; S230-G245 PolarHBondContact OG-O 3.28Å; D242-G245 PolarHBondContact O-N 2.94Å; L243-G245 PolarHBondContact O-N 2.89Å; G245-I247 PolarHBondContact O-N 2.81Å
246N81.7Confident84Confident34 Ų3434.5 Ų34.518%0.18219%0.194CC..  trans-85.297.9-174.1-168.33.6000111.4D242 L243 Q249 S258D242-N246 PolarHBondContact O-N 3.25Å; L243-N246 PolarHBondContact O-N 2.93Å; N246-Q249 PolarHBondContact ND2-OE1 3.22Å; N246-S258 VanDerWaalsContact OD1-CB 3.25Å; N246-S258 WeakPolarHBondContact OD1-CB 3.45Å
247I86Confident84.2Confident1 Ų132.8 Ų32.81%0.00519%0.188CC..  trans-96.6-24.7-177.555.9168.5000113I193 I228 G245 Q249 A250 Y251 S258I193-I247 HydrophobicContact CB-CG2 3.81Å; I193-I247 HydrophobicContact CD1-CD1 4.49Å; I193-I247 HydrophobicContact CD1-CG2 4.09Å; I193-I247 HydrophobicContact CG2-CG2 3.73Å; I228-I247 HydrophobicContact CB-CD1 3.83Å; I228-I247 HydrophobicContact CD1-CD1 4.18Å; I228-I247 HydrophobicContact CG2-CD1 3.37Å; G245-I247 PolarHBondContact O-N 2.81Å; I247-Q249 PolarHBondContact O-N 3.42Å; I247-A250 PolarHBondContact O-N 3.11Å; I247-Y251 PolarHBondContact O-N 2.97Å; I247-S258 VanDerWaalsContact CG1-OG 3.3Å; I247-S258 WeakPolarHBondContact CG1-OG 3.45Å; I247-S258 PolarHBondContact N-OG 3Å; I247-S258 VanDerWaalsContact N-OG 3.08Å
248D80.5Confident84.4Confident33 Ų3332.9 Ų32.918%0.17619%0.189CC..THydrogen-bonded Turntrans-63.6-35.4-176.7-60.64.8000111Y251 P252 S256 L257 S258D248-Y251 CarbonylContact O-C 3.58Å; D248-P252 VanDerWaalsContact O-CA 3.26Å; D248-P252 WeakPolarHBondContact O-CA 3.36Å; D248-S256 VanDerWaalsContact OD1-C 3.25Å; D248-S256 WeakPolarHBondContact OD1-CB 3.21Å; D248-S256 PolarHBondContact OD1-OG 3.2Å; D248-L257 WeakPolarHBondContact OD1-CA 3.42Å; D248-L257 PolarHBondContact OD1-N 2.94Å; D248-L257 WeakPolarHBondContact OD2-CA 3.27Å; D248-S258 VanDerWaalsContact CG-N 3.26Å; D248-S258 VanDerWaalsContact CG-OG 3.23Å; D248-S258 PolarHBondContact N-OG 3.07Å; D248-S258 PolarHBondContact OD1-N 3.18Å; D248-S258 PolarHBondContact OD1-OG 2.97Å; D248-S258 PolarHBondContact OD2-N 2.9Å
249Q73Confident85Confident50 Ų5029.8 Ų29.823%0.23418%0.178CC..THydrogen-bonded Turntrans-71.6-38.1179.6-158.9-174.3-24.600111.5N246 I247 S590 I592N246-Q249 PolarHBondContact ND2-OE1 3.22Å; I247-Q249 PolarHBondContact O-N 3.42Å; Q249-S590 PolarHBondContact NE2-O 2.61Å; Q249-S590 VanDerWaalsContact NE2-O 3.12Å; Q249-I592 HydrophobicContact CB-CD1 4.38Å; Q249-I592 HydrophobicContact CG-CB 4.31Å; Q249-I592 HydrophobicContact CG-CD1 3.64Å
250A75.1Confident85.3Confident32 Ų3225.6 Ų25.626%0.26416%0.157SC..THydrogen-bonded Turntrans-74.9-33.6178.300000112.3Y194 I247Y194-A250 HydrophobicContact CD2-CB 3.89Å; Y194-A250 HydrophobicContact CE2-CB 3.76Å; I247-A250 PolarHBondContact O-N 3.11Å
251Y85Confident85.7Confident15 Ų1525.5 Ų25.56%0.05916%0.157CC..  trans-131.670.1-175.4-54.3-73.1000111.7H212 L215 D216 I247 D248 A253 L254H212-Y251 WeakPolarHBondContact CA-OH 3.4Å; H212-Y251 PolarHBondContact CD2-OH 2.84Å; L215-Y251 HydrophobicContact CB-CD1 4.38Å; L215-Y251 HydrophobicContact CB-CD2 4.16Å; L215-Y251 HydrophobicContact CB-CE1 4.12Å; L215-Y251 HydrophobicContact CB-CE2 3.87Å; L215-Y251 HydrophobicContact CB-CG 4.39Å; L215-Y251 HydrophobicContact CD1-CD2 4.19Å; L215-Y251 HydrophobicContact CD1-CE2 3.69Å; L215-Y251 HydrophobicContact CG-CE2 4.44Å; D216-Y251 HydrophobicContact CB-CE1 4.41Å; D216-Y251 WeakPolarHBondContact OD1-CD1 3.38Å; D216-Y251 WeakPolarHBondContact OD1-CE1 3.44Å; I247-Y251 PolarHBondContact O-N 2.97Å; D248-Y251 CarbonylContact O-C 3.58Å; Y251-A253 PolarHBondContact O-N 3.3Å; Y251-A253 VanDerWaalsContact O-N 3.12Å; Y251-L254 WeakPolarHBondContact O-CB 3.1Å; Y251-L254 PolarHBondContact O-N 2.84Å
252P80.3Confident86.2Confident101 Ų10124.2 Ų24.266%0.65615%0.149SC*.THydrogen-bonded Turntrans-65.1-21.3-170.523.9-34.3000115D248 L254D248-P252 VanDerWaalsContact O-CA 3.26Å; D248-P252 WeakPolarHBondContact O-CA 3.36Å; P252-L254 VanDerWaalsContact C-N 3.31Å
253A86.2Confident86.7Confident73 Ų7322.9 Ų22.960%0.60314%0.142SC*.THydrogen-bonded Turntrans-82.7-7.5176.100000113.4S219 Y251S219-A253 WeakPolarHBondContact O-CB 3.45Å; Y251-A253 PolarHBondContact O-N 3.3Å; Y251-A253 VanDerWaalsContact O-N 3.12Å
254L89.7Confident87.6Confident14 Ų1420.6 Ų20.67%0.07313%0.13CC..SBendtrans-79.5146.5-178.1-159.8139.9000110.6L215 I218 I228 Y251 P252 S256L215-L254 HydrophobicContact CB-CD1 4.35Å; L215-L254 HydrophobicContact CD2-CD1 3.94Å; I218-L254 HydrophobicContact CD1-CD1 3.77Å; I218-L254 HydrophobicContact CD1-CG 4.45Å; I218-L254 HydrophobicContact CG1-CD1 3.76Å; I228-L254 HydrophobicContact CB-CD2 4.42Å; I228-L254 HydrophobicContact CD1-CD2 3.6Å; I228-L254 HydrophobicContact CG1-CD2 4.09Å; Y251-L254 WeakPolarHBondContact O-CB 3.1Å; Y251-L254 PolarHBondContact O-N 2.84Å; P252-L254 VanDerWaalsContact C-N 3.31Å; L254-S256 PolarHBondContact O-N 2.91Å
255N92.3Very high88Confident26 Ų2621 Ų2114%0.13913%0.131CC..SBendtrans-73.969.1173.6-69.4-43.8000110.5Y224 L226 V227 I228 L304Y224-N255 PolarHBondContact O-ND2 2.9Å; L226-N255 WeakPolarHBondContact O-CB 3.27Å; V227-N255 WeakPolarHBondContact CA-O 3.37Å; V227-N255 HydrophobicContact CG2-CB 4.43Å; I228-N255 PolarHBondContact N-O 3.02Å; N255-L304 HydrophobicContact CB-CD2 4.3Å
256S93.5Very high88.2Confident4 Ų425 Ų253%0.02815%0.146CC..EExtended strand (participates in β ladder)trans-125.8159.8-178.7610000114.6I228 D248 L254I228-S256 CarbonylContact O-C 3.52Å; I228-S256 WeakPolarHBondContact O-CA 3.39Å; I228-S256 WeakPolarHBondContact O-CB 3.3Å; D248-S256 VanDerWaalsContact OD1-C 3.25Å; D248-S256 WeakPolarHBondContact OD1-CB 3.21Å; D248-S256 PolarHBondContact OD1-OG 3.2Å; L254-S256 PolarHBondContact O-N 2.91Å
257L93.4Very high88.9Confident1 Ų123.7 Ų23.71%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-137.5121.3170.4176.660.3000109.3I228 I229 S230 D248 L259 L304 F307 R308 L311 I312I228-L257 PolarHBondContact O-N 3.42Å; I229-L257 CarbonylContact C-O 3.57Å; I229-L257 WeakPolarHBondContact CA-O 3.03Å; I229-L257 HydrophobicContact CD1-CB 3.79Å; I229-L257 HydrophobicContact CD1-CD2 4.38Å; S230-L257 PolarHBondContact N-O 3.3Å; D248-L257 WeakPolarHBondContact OD1-CA 3.42Å; D248-L257 PolarHBondContact OD1-N 2.94Å; D248-L257 WeakPolarHBondContact OD2-CA 3.27Å; L257-L259 HydrophobicContact CD1-CD1 4.07Å; L257-L259 HydrophobicContact CD1-CD2 4.16Å; L257-L259 HydrophobicContact CD1-CG 3.94Å; L257-L259 HydrophobicContact CD2-CD1 3.79Å; L257-L259 HydrophobicContact CD2-CG 4.47Å; L257-L259 HydrophobicContact CG-CD1 3.82Å; L257-L259 HydrophobicContact CG-CG 3.96Å; L257-L304 HydrophobicContact CB-CD1 3.85Å; L257-F307 HydrophobicContact CD2-CB 4.12Å; L257-R308 HydrophobicContact CD1-CG 4.4Å; L257-R308 HydrophobicContact CD2-CG 4.11Å; L257-L311 HydrophobicContact CD2-CB 4.49Å; L257-L311 HydrophobicContact CD2-CD1 4.25Å; L257-I312 HydrophobicContact CD1-CD1 3.87Å; L257-I312 HydrophobicContact CD1-CG1 4.15Å; L257-I312 HydrophobicContact CD2-CG1 4.49Å
258S92.9Very high89.2Confident8 Ų824.1 Ų24.16%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-113.8124179.4-61.80000109.9S230 N246 I247 D248S230-S258 CarbonylContact O-C 3.59Å; S230-S258 WeakPolarHBondContact O-CA 3.28Å; N246-S258 VanDerWaalsContact OD1-CB 3.25Å; N246-S258 WeakPolarHBondContact OD1-CB 3.45Å; I247-S258 VanDerWaalsContact CG1-OG 3.3Å; I247-S258 WeakPolarHBondContact CG1-OG 3.45Å; I247-S258 PolarHBondContact N-OG 3Å; I247-S258 VanDerWaalsContact N-OG 3.08Å; D248-S258 VanDerWaalsContact CG-N 3.26Å; D248-S258 VanDerWaalsContact CG-OG 3.23Å; D248-S258 PolarHBondContact N-OG 3.07Å; D248-S258 PolarHBondContact OD1-N 3.18Å; D248-S258 PolarHBondContact OD1-OG 2.97Å; D248-S258 PolarHBondContact OD2-N 2.9Å
259L93Very high89.7Confident8 Ų822.6 Ų22.64%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-144.6153.1-175.1-64.4171.1000111.1S230 I231 T232 L257 A263 I264 L311 I312 N569S230-L259 PolarHBondContact O-N 2.63Å; I231-L259 CarbonylContact C-O 3.58Å; I231-L259 WeakPolarHBondContact CA-O 3.36Å; T232-L259 PolarHBondContact N-O 2.91Å; L257-L259 HydrophobicContact CD1-CD1 4.07Å; L257-L259 HydrophobicContact CD1-CD2 4.16Å; L257-L259 HydrophobicContact CD1-CG 3.94Å; L257-L259 HydrophobicContact CD2-CD1 3.79Å; L257-L259 HydrophobicContact CD2-CG 4.47Å; L257-L259 HydrophobicContact CG-CD1 3.82Å; L257-L259 HydrophobicContact CG-CG 3.96Å; L259-A263 HydrophobicContact CD2-CB 4.48Å; L259-I264 HydrophobicContact CB-CG1 4.4Å; L259-I264 HydrophobicContact CD1-CG1 4.3Å; L259-L311 HydrophobicContact CD1-CB 3.59Å; L259-L311 HydrophobicContact CD1-CD1 4.2Å; L259-I312 HydrophobicContact CD1-CG1 4.24Å; L259-I312 HydrophobicContact CD2-CG1 4.16Å; L259-N569 HydrophobicContact CD2-CB 3.3Å
260S92.7Very high90.6Very high8 Ų820.2 Ų20.26%0.05612%0.122CC..EExtended strand (participates in β ladder)trans-91.2154.4161.469.50000110.3T232 S262 A263 I264T232-S260 CarbonylContact O-C 3.56Å; T232-S260 WeakPolarHBondContact O-CA 3.21Å; S260-S262 PolarHBondContact O-N 2.65Å; S260-S262 VanDerWaalsContact O-N 3.16Å; S260-S262 PolarHBondContact OG-OG 2.87Å; S260-A263 WeakPolarHBondContact O-CA 3.27Å; S260-A263 WeakPolarHBondContact O-CB 3.36Å; S260-A263 PolarHBondContact O-N 3.23Å; S260-I264 PolarHBondContact O-N 2.73Å
261T95.1Very high91.4Very high0 Ų018.7 Ų18.70%011%0.109CC..G310 helixtrans-57.4-28.5175.4480000113.5I231 T232 G233 A263 I264 V267 A269 C271 I276 L282I231-T261 HydrophobicContact CG2-CG2 3.68Å; T232-T261 WeakPolarHBondContact O-CG2 3.24Å; T232-T261 PolarHBondContact O-N 2.77Å; T232-T261 PolarHBondContact O-OG1 2.78Å; G233-T261 PolarHBondContact O-OG1 2.74Å; T261-A263 PolarHBondContact O-N 2.78Å; T261-I264 PolarHBondContact O-N 2.78Å; T261-V267 WeakPolarHBondContact O-CG1 3.29Å; T261-A269 CarbonylContact C-O 3.55Å; T261-A269 VanDerWaalsContact CB-O 3.28Å; T261-A269 WeakPolarHBondContact CB-O 3.29Å; T261-A269 PolarHBondContact OG1-O 2.91Å; T261-A269 VanDerWaalsContact OG1-O 3.06Å; T261-C271 HydrophobicContact CG2-CB 4.25Å; T261-C271 PolarHBondContact OG1-N 3.01Å; T261-I276 HydrophobicContact CG2-CD1 3.98Å; T261-I276 HydrophobicContact CG2-CG1 3.96Å; T261-L282 HydrophobicContact CG2-CD1 4.43Å; T261-L282 HydrophobicContact CG2-CD2 3.72Å
262S91.8Very high91.8Very high4 Ų420 Ų203%0.02812%0.117CC..G310 helixtrans-69-23.9173.867.90000113.1S260 W268 F571S260-S262 PolarHBondContact O-N 2.65Å; S260-S262 VanDerWaalsContact O-N 3.16Å; S260-S262 PolarHBondContact OG-OG 2.87Å; S262-W268 WeakPolarHBondContact O-CA 3.3Å; S262-F571 CarbonylContact C-O 3.52Å; S262-F571 WeakPolarHBondContact CB-O 3.41Å; S262-F571 VanDerWaalsContact O-O 3.11Å; S262-F571 PolarHBondContact OG-O 2.62Å
263A92.5Very high92.4Very high0 Ų016.2 Ų16.20%09%0.091CC..G310 helixtrans-86.9-10.7178.800000114.1L259 S260 T261 T313 N569 F571L259-A263 HydrophobicContact CD2-CB 4.48Å; S260-A263 WeakPolarHBondContact O-CA 3.27Å; S260-A263 WeakPolarHBondContact O-CB 3.36Å; S260-A263 PolarHBondContact O-N 3.23Å; T261-A263 PolarHBondContact O-N 2.78Å; A263-T313 VanDerWaalsContact O-CB 3.28Å; A263-T313 WeakPolarHBondContact O-CB 3.39Å; A263-T313 PolarHBondContact O-N 2.81Å; A263-T313 VanDerWaalsContact O-N 3.13Å; A263-T313 PolarHBondContact O-OG1 3.29Å; A263-N569 WeakPolarHBondContact CB-O 3.44Å; A263-F571 HydrophobicContact CB-CB 4.14Å; A263-F571 PolarHBondContact N-O 3.16Å
264I94.9Very high92.8Very high0 Ų021.4 Ų21.40%010%0.095CC..BIsolated β-bridgetrans-77.7127.4-176.7-62.3174.7000110.7I231 L259 S260 T261 V267 W268 L282 V285 L311I231-I264 HydrophobicContact CD1-CD1 3.81Å; I231-I264 HydrophobicContact CG1-CD1 4.09Å; I231-I264 HydrophobicContact CG2-CD1 3.63Å; L259-I264 HydrophobicContact CB-CG1 4.4Å; L259-I264 HydrophobicContact CD1-CG1 4.3Å; S260-I264 PolarHBondContact O-N 2.73Å; T261-I264 PolarHBondContact O-N 2.78Å; I264-V267 HydrophobicContact CB-CB 3.94Å; I264-V267 HydrophobicContact CB-CG2 3.85Å; I264-V267 HydrophobicContact CG2-CB 4.12Å; I264-V267 HydrophobicContact CG2-CG2 3.49Å; I264-V267 VanDerWaalsContact CG2-CG2 3.49Å; I264-V267 WeakPolarHBondContact O-CB 3.46Å; I264-V267 PolarHBondContact O-N 3.27Å; I264-W268 PolarHBondContact O-N 3.48Å; I264-L282 HydrophobicContact CD1-CD1 3.55Å; I264-V285 HydrophobicContact CG2-CG1 4.15Å; I264-L311 CarbonylContact C-O 3.55Å; I264-L311 WeakPolarHBondContact CA-O 3.45Å; I264-L311 HydrophobicContact CG2-CB 4.37Å; I264-L311 HydrophobicContact CG2-CD2 3.94Å
265Q92.3Very high93Very high29 Ų2920.7 Ų20.714%0.1369%0.091CC..THydrogen-bonded Turntrans-58138.3177.3-163.9179.935.200110.4V267 W268 L311 T313Q265-V267 PolarHBondContact O-N 3.04Å; Q265-V267 VanDerWaalsContact O-N 3.11Å; Q265-W268 HydrophobicContact CG-CZ2 3.99Å; Q265-L311 PolarHBondContact N-O 3.39Å; Q265-T313 WeakPolarHBondContact CA-OG1 3.34Å; Q265-T313 PolarHBondContact N-OG1 3.47Å; Q265-T313 VanDerWaalsContact N-OG1 3.15Å
266Y91.5Very high93.2Very high84 Ų8419.5 Ų19.533%0.3299%0.085SC..THydrogen-bonded Turntrans66.5-8.1-171.2-55.8-80.5000116.4L420Y266-L420 HydrophobicContact CE1-CD1 3.7Å; Y266-L420 HydrophobicContact CE2-CD1 4.03Å; Y266-L420 WeakPolarHBondContact OH-CD1 3.22Å
267V94.5Very high93.4Very high6 Ų620.2 Ų20.24%0.0369%0.088CC..THydrogen-bonded Turntrans-96.3-62.5175.6-175.60000110T261 I264 Q265 A269 Q281 L282 V285T261-V267 WeakPolarHBondContact O-CG1 3.29Å; I264-V267 HydrophobicContact CB-CB 3.94Å; I264-V267 HydrophobicContact CB-CG2 3.85Å; I264-V267 HydrophobicContact CG2-CB 4.12Å; I264-V267 HydrophobicContact CG2-CG2 3.49Å; I264-V267 VanDerWaalsContact CG2-CG2 3.49Å; I264-V267 WeakPolarHBondContact O-CB 3.46Å; I264-V267 PolarHBondContact O-N 3.27Å; Q265-V267 PolarHBondContact O-N 3.04Å; Q265-V267 VanDerWaalsContact O-N 3.11Å; V267-A269 HydrophobicContact CG1-CB 4.4Å; V267-A269 WeakPolarHBondContact O-CB 3.13Å; V267-A269 PolarHBondContact O-N 3.2Å; V267-Q281 HydrophobicContact CB-CB 4.39Å; V267-Q281 HydrophobicContact CG1-CB 4.39Å; V267-Q281 HydrophobicContact CG2-CB 4.18Å; V267-L282 HydrophobicContact CG1-CB 4.24Å; V267-L282 HydrophobicContact CG2-CB 4.16Å; V267-L282 HydrophobicContact CG2-CD1 4.21Å; V267-V285 HydrophobicContact CG2-CG2 4.29Å
268W92.9Very high93.5Very high11 Ų1123.2 Ų23.24%0.04210%0.099CC..  trans45.727.7178.9-54.4-53.6000115.5S262 I264 Q265 T313 L420 P422 F571 Y573S262-W268 WeakPolarHBondContact O-CA 3.3Å; I264-W268 PolarHBondContact O-N 3.48Å; Q265-W268 HydrophobicContact CG-CZ2 3.99Å; W268-T313 VanDerWaalsContact NE1-CG2 3.31Å; W268-T313 PolarHBondContact NE1-OG1 3.36Å; W268-L420 HydrophobicContact CH2-CB 4.11Å; W268-L420 HydrophobicContact CZ2-CB 4.26Å; W268-L420 VanDerWaalsContact CZ2-O 3.3Å; W268-L420 WeakPolarHBondContact CZ2-O 3.23Å; W268-P422 HydrophobicContact CB-CB 4.17Å; W268-P422 HydrophobicContact CB-CG 4.37Å; W268-P422 HydrophobicContact CD2-CB 3.81Å; W268-P422 HydrophobicContact CD2-CG 4.11Å; W268-P422 VanDerWaalsContact CE3-CA 3.49Å; W268-P422 HydrophobicContact CE3-CB 3.55Å; W268-P422 HydrophobicContact CE3-CG 4.33Å; W268-P422 HydrophobicContact CG-CB 4.11Å; W268-P422 HydrophobicContact CG-CG 4.15Å; W268-P422 HydrophobicContact CZ3-CB 4.18Å; W268-F571 AromaticContact CD1-CD1 3.75Å; W268-F571 AromaticContact CD1-CE1 3.51Å; W268-F571 HydrophobicContact CG-CE1 4.26Å; W268-F571 AromaticContact NE1-CE1 3.95Å; W268-Y573 HydrophobicContact CB-CD1 3.77Å; W268-Y573 HydrophobicContact CB-CE1 3.53Å; W268-Y573 WeakPolarHBondContact O-CE1 3.33Å
269A91.3Very high93.7Very high1 Ų122.9 Ų22.91%0.00810%0.097CC..  trans-130.7125.9-174.200000108.9R36 T261 V267 C271R36-A269 HydrophobicContact CB-CB 3.83Å; T261-A269 CarbonylContact C-O 3.55Å; T261-A269 VanDerWaalsContact CB-O 3.28Å; T261-A269 WeakPolarHBondContact CB-O 3.29Å; T261-A269 PolarHBondContact OG1-O 2.91Å; T261-A269 VanDerWaalsContact OG1-O 3.06Å; V267-A269 HydrophobicContact CG1-CB 4.4Å; V267-A269 WeakPolarHBondContact O-CB 3.13Å; V267-A269 PolarHBondContact O-N 3.2Å; A269-C271 PolarHBondContact O-N 2.7Å
270S90.9Very high93.8Very high0 Ų024.5 Ų24.50%011%0.105CC..PPolyproline II helixtrans-69.5132.8168.4-178.10000109.3G233 G234 S235 R236G233-S270 CarbonylContact O-C 3.59Å; G233-S270 WeakPolarHBondContact O-CA 3.31Å; G233-S270 PolarHBondContact O-OG 3.23Å; G234-S270 VanDerWaalsContact C-OG 3.29Å; G234-S270 WeakPolarHBondContact CA-OG 3.22Å; S235-S270 PolarHBondContact N-OG 3.02Å; S235-S270 VanDerWaalsContact N-OG 3.15Å; R236-S270 WeakPolarHBondContact CB-OG 3.1Å; R236-S270 WeakPolarHBondContact CD-O 3.24Å; R236-S270 PolarHBondContact N-OG 2.79Å
271C93.7Very high93.9Very high0 Ų025.8 Ų25.80%011%0.11CC..PPolyproline II helixtrans-100.6137174.9-66.90000110.1C37 G233 D237 T261 A269 C275 I276C37-C271 PolarHBondContact SG-SG 3.14Å; G233-C271 CarbonylContact C-O 3.57Å; G233-C271 VanDerWaalsContact C-O 3.27Å; G233-C271 VanDerWaalsContact CA-O 3.22Å; G233-C271 WeakPolarHBondContact CA-O 3.36Å; G233-C271 PolarHBondContact O-N 3.29Å; D237-C271 PolarHBondContact N-O 3.42Å; T261-C271 HydrophobicContact CG2-CB 4.25Å; T261-C271 PolarHBondContact OG1-N 3.01Å; A269-C271 PolarHBondContact O-N 2.7Å; C271-C275 HydrophobicContact CB-CB 3.92Å; C271-I276 HydrophobicContact CB-CB 3.94Å
272D92.8Very high94Very high42 Ų4225.8 Ų25.823%0.22511%0.11CC..PPolyproline II helixtrans-67.9170.5157.96164000111.1R236 R274 C275 I276R236-D272 HydrophobicContact CB-CB 4.34Å; R236-D272 IonicContact CZ-OD2 3.04Å; R236-D272 IonicContact NH2-OD2 2.83Å; R236-D272 PolarHBondContact NH2-OD2 3.19Å; R236-D272 WeakPolarHBondContact O-CA 3.21Å; D272-R274 PolarHBondContact O-N 3.39Å; D272-R274 PolarHBondContact OD1-N 2.83Å; D272-C275 HydrophobicContact CB-CB 4.39Å; D272-C275 VanDerWaalsContact CG-CB 3.43Å; D272-C275 WeakPolarHBondContact O-CB 3.46Å; D272-C275 PolarHBondContact O-N 2.86Å; D272-C275 WeakPolarHBondContact OD1-CB 3.27Å; D272-C275 PolarHBondContact OD1-N 2.68Å; D272-I276 PolarHBondContact O-N 2.88Å
273H93.3Very high94.2Very high21 Ų2125.7 Ų25.710%0.09711%0.109CC..THydrogen-bonded Turntrans-55.2-28.8-172-162.165.6000114.3H161 S162 D237 I239 I276H161-H273 AromaticContact CE1-NE2 3.87Å; H161-H273 AromaticContact NE2-NE2 3.98Å; H161-H273 PolarHBondContact NE2-O 2.86Å; S162-H273 VanDerWaalsContact CB-NE2 3.27Å; S162-H273 WeakPolarHBondContact CB-NE2 3.48Å; S162-H273 PolarHBondContact OG-CE1 3.43Å; S162-H273 VanDerWaalsContact OG-CE1 3.3Å; S162-H273 PolarHBondContact OG-NE2 3.48Å; D237-H273 WeakPolarHBondContact OD1-CB 3.47Å; D237-H273 IonicContact OD1-CG 3.34Å; D237-H273 IonicContact OD1-ND1 3.48Å; D237-H273 PolarHBondContact OD1-ND1 3.24Å; D237-H273 IonicContact OD2-CE1 3.09Å; D237-H273 IonicContact OD2-CG 2.72Å; D237-H273 IonicContact OD2-ND1 2.74Å; D237-H273 PolarHBondContact OD2-ND1 2.76Å; I239-H273 HydrophobicContact CB-CB 4.25Å; I239-H273 HydrophobicContact CD1-CB 3.87Å; I239-H273 HydrophobicContact CG1-CB 4.17Å; H273-I276 WeakPolarHBondContact O-CG2 3.45Å
274R93.4Very high94.3Very high182 Ų18228 Ų2869%0.68712%0.121SC*.THydrogen-bonded Turntrans-95.8-34.9177.2-68.5-176.4173.9-168.8-3.4111.9D272 I276 L277 W278D272-R274 PolarHBondContact O-N 3.39Å; D272-R274 PolarHBondContact OD1-N 2.83Å; R274-I276 PolarHBondContact O-N 3.17Å; R274-L277 WeakPolarHBondContact O-CB 3.29Å; R274-L277 PolarHBondContact O-N 2.75Å; R274-W278 VanDerWaalsContact O-CD1 3.24Å; R274-W278 PolarHBondContact O-NE1 3.39Å
275C95Very high94.3Very high0 Ų028.4 Ų28.40%012%0.124CC..G310 helixtrans-54.6-34.2177.9-176.80000113.2C37 C271 D272 L277 W278 C279C37-C275 VanDerWaalsContact CB-SG 3.54Å; C37-C275 VanDerWaalsContact SG-SG 3.63Å; C271-C275 HydrophobicContact CB-CB 3.92Å; D272-C275 HydrophobicContact CB-CB 4.39Å; D272-C275 VanDerWaalsContact CG-CB 3.43Å; D272-C275 WeakPolarHBondContact O-CB 3.46Å; D272-C275 PolarHBondContact O-N 2.86Å; D272-C275 WeakPolarHBondContact OD1-CB 3.27Å; D272-C275 PolarHBondContact OD1-N 2.68Å; C275-L277 PolarHBondContact O-N 3.08Å; C275-W278 VanDerWaalsContact CA-CE2 3.44Å; C275-W278 HydrophobicContact CB-CH2 4.26Å; C275-W278 HydrophobicContact CB-CZ2 3.74Å; C275-W278 PolarHBondContact O-N 2.94Å; C275-C279 WeakPolarHBondContact O-CB 3.19Å; C275-C279 PolarHBondContact O-N 3.27Å
276I96.5Very high94.4Very high0 Ų027 Ų270%012%0.118CC..G310 helixtrans-57.4-22.4178.2-161.7168.5000113L189 A190 I231 T261 C271 D272 H273 R274 L282 M283L189-I276 HydrophobicContact CB-CD1 4.09Å; L189-I276 HydrophobicContact CB-CG1 4.39Å; A190-I276 HydrophobicContact CB-CD1 4.05Å; A190-I276 HydrophobicContact CB-CG2 4.25Å; I231-I276 HydrophobicContact CG2-CD1 4.22Å; I231-I276 WeakPolarHBondContact O-CD1 3.41Å; T261-I276 HydrophobicContact CG2-CD1 3.98Å; T261-I276 HydrophobicContact CG2-CG1 3.96Å; C271-I276 HydrophobicContact CB-CB 3.94Å; D272-I276 PolarHBondContact O-N 2.88Å; H273-I276 WeakPolarHBondContact O-CG2 3.45Å; R274-I276 PolarHBondContact O-N 3.17Å; I276-L282 HydrophobicContact CG1-CD2 3.63Å; I276-L282 WeakPolarHBondContact O-CD2 3.39Å; I276-M283 WeakPolarHBondContact O-CE 3.27Å
277L96.4Very high94.5Very high19 Ų1923 Ų2310%0.09910%0.102CC..G310 helixtrans-89-11.7179.8-63.1-178.8000114.6F81 T91 S94 H161 L189 R274 C275F81-L277 HydrophobicContact CE2-CD2 4Å; F81-L277 HydrophobicContact CZ-CD1 4.46Å; F81-L277 HydrophobicContact CZ-CD2 3.82Å; T91-L277 HydrophobicContact CG2-CD1 4.23Å; S94-L277 WeakPolarHBondContact CB-O 3.2Å; S94-L277 PolarHBondContact OG-O 3.3Å; H161-L277 HydrophobicContact CB-CD2 3.94Å; L189-L277 HydrophobicContact CD1-CD2 4.11Å; R274-L277 WeakPolarHBondContact O-CB 3.29Å; R274-L277 PolarHBondContact O-N 2.75Å; C275-L277 PolarHBondContact O-N 3.08Å
278W95.6Very high94.4Very high65 Ų6525.6 Ų25.625%0.24611%0.113CC..THydrogen-bonded Turntrans-134.4-0.6-17657.5-104.3000114.4N35 C37 L39 T40 R274 C275 L280N35-W278 VanDerWaalsContact ND2-CH2 3.27Å; N35-W278 WeakPolarHBondContact ND2-CH2 3.46Å; C37-W278 HydrophobicContact CB-CZ3 4.06Å; L39-W278 HydrophobicContact CB-CE3 4.45Å; L39-W278 HydrophobicContact CD1-CB 4.3Å; L39-W278 HydrophobicContact CD1-CD2 3.76Å; L39-W278 HydrophobicContact CD1-CE3 3.51Å; L39-W278 HydrophobicContact CD1-CG 4.13Å; L39-W278 HydrophobicContact CD1-CZ3 4.06Å; T40-W278 VanDerWaalsContact CG2-O 3.31Å; T40-W278 WeakPolarHBondContact CG2-O 3.35Å; T40-W278 PolarHBondContact N-O 3.28Å; T40-W278 PolarHBondContact OG1-O 3.22Å; R274-W278 VanDerWaalsContact O-CD1 3.24Å; R274-W278 PolarHBondContact O-NE1 3.39Å; C275-W278 VanDerWaalsContact CA-CE2 3.44Å; C275-W278 HydrophobicContact CB-CH2 4.26Å; C275-W278 HydrophobicContact CB-CZ2 3.74Å; C275-W278 PolarHBondContact O-N 2.94Å; W278-L280 PolarHBondContact O-N 2.86Å
279C97Very high94.3Very high0 Ų025 Ų250%011%0.111CC..BIsolated β-bridgetrans-61.1107.5173.9-172.10000110.1C37 C275 Q281 L282 M283C37-C279 HydrophobicContact CB-CB 3.64Å; C37-C279 WeakPolarHBondContact CB-SG 3.43Å; C37-C279 WeakPolarHBondContact SG-CB 3.43Å; C37-C279 CovalentContact SG-SG 2.05Å; C37-C279 PolarHBondContact SG-SG 3.47Å; C275-C279 WeakPolarHBondContact O-CB 3.19Å; C275-C279 PolarHBondContact O-N 3.27Å; C279-Q281 VanDerWaalsContact C-N 3.28Å; C279-Q281 PolarHBondContact O-N 2.72Å; C279-L282 HydrophobicContact CB-CB 4.04Å; C279-L282 WeakPolarHBondContact O-CB 3.42Å; C279-L282 PolarHBondContact O-N 3.07Å; C279-M283 WeakPolarHBondContact O-CG 3.47Å; C279-M283 PolarHBondContact O-N 2.8Å
280L95.7Very high94.3Very high43 Ų4325.1 Ų25.123%0.22511%0.111CC..Hα-helixtrans-56.1-44-174174.863.1000111.9I38 T40 T98 W278 L282 M283 L284I38-L280 HydrophobicContact CB-CB 4.18Å; I38-L280 HydrophobicContact CB-CD2 4.33Å; I38-L280 HydrophobicContact CG2-CB 4.37Å; I38-L280 HydrophobicContact CG2-CD2 3.83Å; I38-L280 WeakPolarHBondContact O-CB 3.39Å; I38-L280 PolarHBondContact O-N 3.31Å; T40-L280 HydrophobicContact CG2-CB 3.99Å; T40-L280 HydrophobicContact CG2-CD1 3.88Å; T98-L280 HydrophobicContact CG2-CD1 3.74Å; W278-L280 PolarHBondContact O-N 2.86Å; L280-L282 VanDerWaalsContact C-N 3.29Å; L280-L282 PolarHBondContact O-N 3.34Å; L280-M283 PolarHBondContact O-N 2.71Å; L280-L284 HydrophobicContact CD1-CD1 3.99Å; L280-L284 HydrophobicContact CD1-CG 4.01Å; L280-L284 HydrophobicContact CG-CD1 3.96Å; L280-L284 HydrophobicContact CG-CG 4.41Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.36Å; L280-L284 PolarHBondContact O-N 3.46Å
281Q94.7Very high94.3Very high34 Ų3425.2 Ų25.216%0.15911%0.111CC..Hα-helixtrans-56.5-46.7178.5-59.2100.7-55.900111.1R36 V267 C279 V285R36-Q281 PolarHBondContact O-NE2 3.43Å; V267-Q281 HydrophobicContact CB-CB 4.39Å; V267-Q281 HydrophobicContact CG1-CB 4.39Å; V267-Q281 HydrophobicContact CG2-CB 4.18Å; C279-Q281 VanDerWaalsContact C-N 3.28Å; C279-Q281 PolarHBondContact O-N 2.72Å; Q281-V285 WeakPolarHBondContact O-CG2 3.26Å; Q281-V285 PolarHBondContact O-N 3.28Å
282L97Very high93.9Very high0 Ų026.9 Ų26.90%012%0.121CC..Hα-helixtrans-64.6-49.4178.7-17963000111.2T261 I264 V267 I276 C279 L280 L284 V285 L286T261-L282 HydrophobicContact CG2-CD1 4.43Å; T261-L282 HydrophobicContact CG2-CD2 3.72Å; I264-L282 HydrophobicContact CD1-CD1 3.55Å; V267-L282 HydrophobicContact CG1-CB 4.24Å; V267-L282 HydrophobicContact CG2-CB 4.16Å; V267-L282 HydrophobicContact CG2-CD1 4.21Å; I276-L282 HydrophobicContact CG1-CD2 3.63Å; I276-L282 WeakPolarHBondContact O-CD2 3.39Å; C279-L282 HydrophobicContact CB-CB 4.04Å; C279-L282 WeakPolarHBondContact O-CB 3.42Å; C279-L282 PolarHBondContact O-N 3.07Å; L280-L282 VanDerWaalsContact C-N 3.29Å; L280-L282 PolarHBondContact O-N 3.34Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 2.84Å; L282-V285 PolarHBondContact O-N 2.96Å; L282-V285 VanDerWaalsContact O-N 3.14Å; L282-L286 HydrophobicContact CD1-CD1 4.11Å; L282-L286 HydrophobicContact CD1-CD2 4.15Å; L282-L286 HydrophobicContact CD1-CG 3.94Å; L282-L286 HydrophobicContact CD2-CD1 4.45Å; L282-L286 HydrophobicContact CG-CD1 3.9Å; L282-L286 HydrophobicContact CG-CG 4.11Å; L282-L286 VanDerWaalsContact O-CG 3.32Å; L282-L286 WeakPolarHBondContact O-CG 3.48Å; L282-L286 PolarHBondContact O-N 2.85Å
283M96.1Very high93.3Very high2 Ų225.7 Ų25.71%0.0111%0.114CC..Hα-helixtrans-57-41.7-178.5-63.9-59.7121.100112.3T40 L95 T98 I276 C279 L280 N287T40-M283 HydrophobicContact CG2-CB 4.27Å; T40-M283 HydrophobicContact CG2-CG 3.92Å; L95-M283 VanDerWaalsContact CA-SD 3.59Å; L95-M283 HydrophobicContact CB-SD 3.65Å; L95-M283 HydrophobicContact CD1-CB 4.48Å; L95-M283 HydrophobicContact CD1-SD 3.58Å; L95-M283 VanDerWaalsContact CD1-SD 3.58Å; L95-M283 HydrophobicContact CG-SD 4.21Å; T98-M283 HydrophobicContact CG2-CB 3.86Å; I276-M283 WeakPolarHBondContact O-CE 3.27Å; C279-M283 WeakPolarHBondContact O-CG 3.47Å; C279-M283 PolarHBondContact O-N 2.8Å; L280-M283 PolarHBondContact O-N 2.71Å; M283-N287 WeakPolarHBondContact O-CB 3.4Å; M283-N287 PolarHBondContact O-N 3.47Å
284L94.6Very high92.2Very high48 Ų4827.5 Ų27.525%0.25113%0.125SC..Hα-helixtrans-61.7-46.6177.2-72.2169.4000112T98 N101 F102 L280 L282 K288T98-L284 HydrophobicContact CG2-CD2 4.47Å; N101-L284 HydrophobicContact CB-CD2 3.81Å; F102-L284 HydrophobicContact CE2-CD2 4.08Å; F102-L284 WeakPolarHBondContact CE2-O 3.32Å; F102-L284 HydrophobicContact CZ-CB 4.43Å; F102-L284 HydrophobicContact CZ-CD2 4.2Å; F102-L284 WeakPolarHBondContact CZ-O 3.16Å; L280-L284 HydrophobicContact CD1-CD1 3.99Å; L280-L284 HydrophobicContact CD1-CG 4.01Å; L280-L284 HydrophobicContact CG-CD1 3.96Å; L280-L284 HydrophobicContact CG-CG 4.41Å; L280-L284 VanDerWaalsContact O-CG 3.31Å; L280-L284 WeakPolarHBondContact O-CG 3.36Å; L280-L284 PolarHBondContact O-N 3.46Å; L282-L284 VanDerWaalsContact C-N 3.28Å; L282-L284 PolarHBondContact O-N 2.84Å; L284-K288 WeakPolarHBondContact O-CB 3.46Å; L284-K288 PolarHBondContact O-N 3.21Å
285V94.7Very high90.5Very high10 Ų1022.9 Ų22.96%0.06112%0.12CC..Hα-helixtrans-68.2-42.6-179.1179.60000110.8I264 V267 Q281 L282 N287 K288 G289 L310 L311I264-V285 HydrophobicContact CG2-CG1 4.15Å; V267-V285 HydrophobicContact CG2-CG2 4.29Å; Q281-V285 WeakPolarHBondContact O-CG2 3.26Å; Q281-V285 PolarHBondContact O-N 3.28Å; L282-V285 PolarHBondContact O-N 2.96Å; L282-V285 VanDerWaalsContact O-N 3.14Å; V285-N287 PolarHBondContact O-N 2.96Å; V285-K288 PolarHBondContact O-N 3.22Å; V285-G289 PolarHBondContact O-N 3.34Å; V285-L310 HydrophobicContact CG1-CD2 4Å; V285-L310 HydrophobicContact CG1-CG 3.94Å; V285-L310 VanDerWaalsContact O-CD2 3.3Å; V285-L310 WeakPolarHBondContact O-CD2 3.31Å; V285-L311 HydrophobicContact CG1-CD2 3.37Å
286L95.6Very high88.9Confident0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-60.4-47177.1-65.7-175.3000111.7L95 L187 L189 I231 L282 K288 G289 L290L95-L286 HydrophobicContact CD1-CB 4.18Å; L187-L286 HydrophobicContact CD2-CB 4.48Å; L187-L286 HydrophobicContact CD2-CD1 4.24Å; L187-L286 HydrophobicContact CD2-CD2 3.84Å; L187-L286 HydrophobicContact CD2-CG 4.4Å; L189-L286 HydrophobicContact CD1-CD1 4.48Å; L189-L286 HydrophobicContact CD2-CD1 3.96Å; I231-L286 HydrophobicContact CD1-CD2 3.51Å; L282-L286 HydrophobicContact CD1-CD1 4.11Å; L282-L286 HydrophobicContact CD1-CD2 4.15Å; L282-L286 HydrophobicContact CD1-CG 3.94Å; L282-L286 HydrophobicContact CD2-CD1 4.45Å; L282-L286 HydrophobicContact CG-CD1 3.9Å; L282-L286 HydrophobicContact CG-CG 4.11Å; L282-L286 VanDerWaalsContact O-CG 3.32Å; L282-L286 WeakPolarHBondContact O-CG 3.48Å; L282-L286 PolarHBondContact O-N 2.85Å; L286-K288 PolarHBondContact O-N 3.39Å; L286-G289 WeakPolarHBondContact O-CA 3.23Å; L286-G289 PolarHBondContact O-N 3.44Å; L286-G289 VanDerWaalsContact O-N 3.13Å; L286-L290 WeakPolarHBondContact O-CG 3.15Å; L286-L290 PolarHBondContact O-N 2.94Å
287N93.2Very high87.4Confident0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-65.9-38.5178.5-83.5-3.5000113.1L95 T98 I99 F102 Y111 M283 V285 G289 L290 L291L95-N287 WeakPolarHBondContact CD1-OD1 3.5Å; L95-N287 PolarHBondContact O-ND2 2.84Å; T98-N287 PolarHBondContact OG1-ND2 3.28Å; I99-N287 HydrophobicContact CD1-CB 3.94Å; I99-N287 PolarHBondContact N-ND2 3.46Å; I99-N287 VanDerWaalsContact N-ND2 3.19Å; F102-N287 HydrophobicContact CE2-CB 4.2Å; Y111-N287 PolarHBondContact OH-OD1 3.48Å; M283-N287 WeakPolarHBondContact O-CB 3.4Å; M283-N287 PolarHBondContact O-N 3.47Å; V285-N287 PolarHBondContact O-N 2.96Å; N287-G289 VanDerWaalsContact C-N 3.26Å; N287-G289 PolarHBondContact O-N 2.86Å; N287-L290 PolarHBondContact O-N 3.13Å; N287-L291 WeakPolarHBondContact O-CB 3.28Å; N287-L291 VanDerWaalsContact O-CG 3.3Å; N287-L291 WeakPolarHBondContact O-CG 3.14Å; N287-L291 PolarHBondContact O-N 2.96Å
288K91.8Very high86.5Confident59 Ų5933.1 Ų33.126%0.25719%0.187SC..Hα-helixtrans-57.1-44.5170.9-177.5172.5171.9-172.30110.4F102 L284 V285 L286 L291 V292 L310F102-K288 HydrophobicContact CE1-CB 4.04Å; F102-K288 HydrophobicContact CE1-CD 4.35Å; F102-K288 HydrophobicContact CE1-CG 4.36Å; F102-K288 HydrophobicContact CE2-CB 4.47Å; F102-K288 HydrophobicContact CZ-CB 3.86Å; L284-K288 WeakPolarHBondContact O-CB 3.46Å; L284-K288 PolarHBondContact O-N 3.21Å; V285-K288 PolarHBondContact O-N 3.22Å; L286-K288 PolarHBondContact O-N 3.39Å; K288-L291 PolarHBondContact O-N 3.34Å; K288-V292 VanDerWaalsContact O-CG2 3.29Å; K288-V292 WeakPolarHBondContact O-CG2 3.05Å; K288-V292 PolarHBondContact O-N 2.68Å; K288-V292 VanDerWaalsContact O-N 3.09Å; K288-L310 HydrophobicContact CB-CD2 4.35Å; K288-L310 HydrophobicContact CD-CD1 3.81Å; K288-L310 HydrophobicContact CG-CD1 4.1Å; K288-L310 HydrophobicContact CG-CD2 4.39Å
289G91.7Very high86.1Confident0 Ų032.2 Ų32.20%019%0.187CC..Hα-helixtrans-61.4-46.7176.200000113.2V285 L286 N287 L291 V292 H293 L310V285-G289 PolarHBondContact O-N 3.34Å; L286-G289 WeakPolarHBondContact O-CA 3.23Å; L286-G289 PolarHBondContact O-N 3.44Å; L286-G289 VanDerWaalsContact O-N 3.13Å; N287-G289 VanDerWaalsContact C-N 3.26Å; N287-G289 PolarHBondContact O-N 2.86Å; G289-L291 PolarHBondContact O-N 2.86Å; G289-V292 PolarHBondContact O-N 2.97Å; G289-H293 WeakPolarHBondContact O-CB 2.92Å; G289-H293 PolarHBondContact O-N 3.04Å; G289-L310 VanDerWaalsContact N-CD2 3.32Å
290L91.7Very high85.8Confident3 Ų332.5 Ų32.52%0.01619%0.189CC..Hα-helixtrans-62.5-42.2178.5-68.5173.2000112.5L109 V157 I159 L185 L187 L286 N287 N294L109-L290 HydrophobicContact CD1-CB 3.51Å; L109-L290 HydrophobicContact CD1-CD1 4.18Å; L109-L290 HydrophobicContact CD1-CG 4.49Å; V157-L290 HydrophobicContact CG1-CD2 3.89Å; I159-L290 HydrophobicContact CD1-CD1 4.14Å; L185-L290 HydrophobicContact CD2-CD2 3.67Å; L187-L290 HydrophobicContact CD1-CD2 4.23Å; L286-L290 WeakPolarHBondContact O-CG 3.15Å; L286-L290 PolarHBondContact O-N 2.94Å; N287-L290 PolarHBondContact O-N 3.13Å; L290-N294 WeakPolarHBondContact O-CB 3.43Å; L290-N294 PolarHBondContact O-N 3.42Å
291L89.1Confident85.5Confident1 Ų133.7 Ų33.71%0.00520%0.195CC..Hα-helixtrans-63.7-44.8178-75.4172.1000112.1I99 F102 Y105 S107 L109 N287 K288 G289I99-L291 HydrophobicContact CD1-CD1 3.58Å; I99-L291 HydrophobicContact CD1-CD2 3.8Å; I99-L291 HydrophobicContact CD1-CG 3.63Å; I99-L291 HydrophobicContact CG1-CD1 4.45Å; I99-L291 HydrophobicContact CG1-CD2 4.49Å; F102-L291 HydrophobicContact CB-CD1 3.57Å; F102-L291 HydrophobicContact CD2-CD1 4.07Å; F102-L291 HydrophobicContact CG-CD1 3.93Å; Y105-L291 HydrophobicContact CD1-CB 4.02Å; Y105-L291 HydrophobicContact CD2-CB 4.49Å; Y105-L291 HydrophobicContact CD2-CD1 3.85Å; Y105-L291 HydrophobicContact CE1-CB 4.33Å; Y105-L291 HydrophobicContact CE2-CD1 4.43Å; Y105-L291 HydrophobicContact CG-CB 4.09Å; Y105-L291 HydrophobicContact CG-CD1 3.97Å; Y105-L291 HydrophobicContact CG-CG 4.44Å; S107-L291 WeakPolarHBondContact O-CD2 3.44Å; L109-L291 HydrophobicContact CD1-CD2 4.22Å; L109-L291 HydrophobicContact CD1-CG 4.33Å; L109-L291 HydrophobicContact CG-CD2 4.08Å; N287-L291 WeakPolarHBondContact O-CB 3.28Å; N287-L291 VanDerWaalsContact O-CG 3.3Å; N287-L291 WeakPolarHBondContact O-CG 3.14Å; N287-L291 PolarHBondContact O-N 2.96Å; K288-L291 PolarHBondContact O-N 3.34Å; G289-L291 PolarHBondContact O-N 2.86Å
292V85.3Confident85.3Confident35 Ų3534.4 Ų34.421%0.21220%0.203CC..Hα-helixtrans-67.9-46.3177.9175.10000110.4Y105 K288 G289 N294 S295 L296 V306Y105-V292 HydrophobicContact CE1-CG2 3.95Å; Y105-V292 WeakPolarHBondContact OH-CG2 3.08Å; K288-V292 VanDerWaalsContact O-CG2 3.29Å; K288-V292 WeakPolarHBondContact O-CG2 3.05Å; K288-V292 PolarHBondContact O-N 2.68Å; K288-V292 VanDerWaalsContact O-N 3.09Å; G289-V292 PolarHBondContact O-N 2.97Å; V292-N294 VanDerWaalsContact C-N 3.27Å; V292-N294 PolarHBondContact O-N 3.42Å; V292-S295 WeakPolarHBondContact O-CB 3.46Å; V292-S295 PolarHBondContact O-N 3.07Å; V292-S295 PolarHBondContact O-OG 3.15Å; V292-L296 HydrophobicContact CG1-CD1 3.65Å; V292-L296 WeakPolarHBondContact O-CD1 3.49Å; V292-V306 HydrophobicContact CB-CG1 4.02Å; V292-V306 HydrophobicContact CG1-CG1 3.63Å; V292-V306 HydrophobicContact CG1-CG2 4.21Å
293H81.4Confident85Confident17 Ų1734.6 Ų34.68%0.07920%0.204CC..Hα-helixtrans-53.5-44176.7169.8-78.8000112.4G289 S295 L296 R303 F307G289-H293 WeakPolarHBondContact O-CB 2.92Å; G289-H293 PolarHBondContact O-N 3.04Å; H293-S295 PolarHBondContact O-N 3.32Å; H293-L296 PolarHBondContact O-N 2.97Å; H293-L296 VanDerWaalsContact O-N 3.14Å; H293-R303 VanDerWaalsContact NE2-CD 3.31Å; H293-R303 WeakPolarHBondContact NE2-CD 3.08Å; H293-F307 HydrophobicContact CB-CE2 4.12Å; H293-F307 HydrophobicContact CB-CZ 4.26Å; H293-F307 AromaticContact CD2-CE2 3.79Å
294N69.1Low84.8Confident59 Ų5934.6 Ų34.632%0.31620%0.204SC..Hα-helixtrans-64.8-18.8-179-165.937.2000113.5S77 L290 V292S77-N294 WeakPolarHBondContact CB-ND2 3.33Å; S77-N294 PolarHBondContact OG-ND2 3.22Å; S77-N294 PolarHBondContact OG-OD1 2.8Å; L290-N294 WeakPolarHBondContact O-CB 3.43Å; L290-N294 PolarHBondContact O-N 3.42Å; V292-N294 VanDerWaalsContact C-N 3.27Å; V292-N294 PolarHBondContact O-N 3.42Å
295S58.3Low84.6Confident85 Ų8534.4 Ų34.459%0.59420%0.203SC*.THydrogen-bonded Turntrans-88.4-4.4177.971.20000114.3V292 H293V292-S295 WeakPolarHBondContact O-CB 3.46Å; V292-S295 PolarHBondContact O-N 3.07Å; V292-S295 PolarHBondContact O-OG 3.15Å; H293-S295 PolarHBondContact O-N 3.32Å
296L61.1Low84.3Confident83 Ų8335 Ų3544%0.43521%0.207SC..SBendtrans-117.1164.3-163-82157000115.2V292 H293 V306V292-L296 HydrophobicContact CG1-CD1 3.65Å; V292-L296 WeakPolarHBondContact O-CD1 3.49Å; H293-L296 PolarHBondContact O-N 2.97Å; H293-L296 VanDerWaalsContact O-N 3.14Å; L296-V306 HydrophobicContact CD1-CG2 3.4Å
297S64.6Low84.2Confident54 Ų5435 Ų3538%0.37821%0.207SC..  trans-32.2152.4-176.4-178.10000118.8D299 R303S297-D299 PolarHBondContact O-N 3.43Å; S297-D299 WeakPolarHBondContact OG-CB 3.32Å; S297-D299 PolarHBondContact OG-N 3.05Å; S297-R303 PolarHBondContact O-NH1 3.47Å; S297-R303 VanDerWaalsContact O-NH1 3.13Å
298S77.3Confident84.2Confident98 Ų9839.2 Ų39.269%0.68522%0.223SC*.SBendtrans-62.6-17.9167.4500000113.9R303S298-R303 PolarHBondContact O-NH1 2.94Å
299D87.8Confident84Confident46 Ų4640.2 Ų40.225%0.24623%0.231CC..  trans-74.7124.7-179.517348.8000113.1S297 I301 S302 R303S297-D299 PolarHBondContact O-N 3.43Å; S297-D299 WeakPolarHBondContact OG-CB 3.32Å; S297-D299 PolarHBondContact OG-N 3.05Å; D299-I301 PolarHBondContact OD2-N 3.2Å; D299-S302 VanDerWaalsContact OD2-CB 3.31Å; D299-S302 WeakPolarHBondContact OD2-CB 3.5Å; D299-S302 PolarHBondContact OD2-N 2.88Å; D299-S302 PolarHBondContact OD2-OG 3.43Å; D299-R303 WeakPolarHBondContact O-CG 3.49Å; D299-R303 PolarHBondContact O-N 3.49Å
300P90.5Very high84Confident6 Ų641.4 Ų41.44%0.03924%0.237CC..Hα-helixtrans-65.9-33179.326.3-35.5000114.4Y224 V227 R303 L304Y224-P300 WeakPolarHBondContact O-CG 3.42Å; V227-P300 HydrophobicContact CG2-CB 4.07Å; V227-P300 WeakPolarHBondContact CG2-O 3.38Å; P300-R303 PolarHBondContact O-N 2.89Å; P300-L304 PolarHBondContact O-N 3.01Å
301I90.3Very high84.1Confident68 Ų6841.2 Ų41.235%0.34924%0.236SC..Hα-helixtrans-67.3-47-177.1-61.5171.8000109.9D299 R303 L304 N305D299-I301 PolarHBondContact OD2-N 3.2Å; I301-R303 PolarHBondContact O-N 2.99Å; I301-L304 PolarHBondContact O-N 3.41Å; I301-L304 VanDerWaalsContact O-N 3.13Å; I301-N305 WeakPolarHBondContact O-CB 3.17Å; I301-N305 PolarHBondContact O-N 2.91Å
302S89.7Confident84.2Confident48 Ų4842.6 Ų42.634%0.33624%0.243SC..Hα-helixtrans-55-41.6173.8-60.90000111.6D299 N305 V306D299-S302 VanDerWaalsContact OD2-CB 3.31Å; D299-S302 WeakPolarHBondContact OD2-CB 3.5Å; D299-S302 PolarHBondContact OD2-N 2.88Å; D299-S302 PolarHBondContact OD2-OG 3.43Å; S302-N305 PolarHBondContact O-N 2.69Å; S302-V306 PolarHBondContact O-N 2.68Å
303R90.1Very high84.5Confident5 Ų541.3 Ų41.32%0.01924%0.236CC..Hα-helixtrans-68.1-39.5177.6-68.4-167.4-49.4-100.3-3.6112.6P225 V227 H293 S297 S298 D299 P300 I301 V306 F307P225-R303 PolarHBondContact O-NH2 3.41Å; V227-R303 HydrophobicContact CG2-CB 4.17Å; H293-R303 VanDerWaalsContact NE2-CD 3.31Å; H293-R303 WeakPolarHBondContact NE2-CD 3.08Å; S297-R303 PolarHBondContact O-NH1 3.47Å; S297-R303 VanDerWaalsContact O-NH1 3.13Å; S298-R303 PolarHBondContact O-NH1 2.94Å; D299-R303 WeakPolarHBondContact O-CG 3.49Å; D299-R303 PolarHBondContact O-N 3.49Å; P300-R303 PolarHBondContact O-N 2.89Å; I301-R303 PolarHBondContact O-N 2.99Å; R303-V306 WeakPolarHBondContact O-CB 3.31Å; R303-V306 PolarHBondContact O-N 3.08Å; R303-F307 WeakPolarHBondContact O-CD2 3.37Å
304L92.2Very high84.7Confident2 Ų244.4 Ų44.41%0.0125%0.247CC..Hα-helixtrans-65.2-40.9175178.858.9000111.6V227 I229 N255 L257 P300 I301 V306 F307 R308V227-L304 HydrophobicContact CG1-CB 4.16Å; V227-L304 HydrophobicContact CG1-CD1 3.94Å; V227-L304 HydrophobicContact CG2-CB 4.42Å; I229-L304 HydrophobicContact CD1-CD1 3.89Å; N255-L304 HydrophobicContact CB-CD2 4.3Å; L257-L304 HydrophobicContact CB-CD1 3.85Å; P300-L304 PolarHBondContact O-N 3.01Å; I301-L304 PolarHBondContact O-N 3.41Å; I301-L304 VanDerWaalsContact O-N 3.13Å; L304-V306 VanDerWaalsContact C-N 3.26Å; L304-V306 PolarHBondContact O-N 2.69Å; L304-F307 PolarHBondContact O-N 3.26Å; L304-R308 VanDerWaalsContact CD2-CZ 3.47Å; L304-R308 HydrophobicContact CG-CG 4.43Å; L304-R308 PolarHBondContact O-N 3.16Å
305N90.7Very high85.3Confident43 Ų4342.8 Ų42.823%0.2324%0.239CC..Hα-helixtrans-64.1-28.6-179.9-75.1-7.6000113I301 S302 F307 R308 N309I301-N305 WeakPolarHBondContact O-CB 3.17Å; I301-N305 PolarHBondContact O-N 2.91Å; S302-N305 PolarHBondContact O-N 2.69Å; N305-F307 VanDerWaalsContact C-N 3.33Å; N305-F307 PolarHBondContact O-N 2.88Å; N305-R308 PolarHBondContact O-N 3.12Å; N305-R308 PolarHBondContact OD1-NH1 2.94Å; N305-N309 WeakPolarHBondContact O-CB 3.43Å; N305-N309 VanDerWaalsContact O-CG 3.3Å; N305-N309 PolarHBondContact O-N 3.23Å; N305-N309 PolarHBondContact O-ND2 3.01Å
306V89.8Confident86.5Confident23 Ų2338.9 Ų38.914%0.13921%0.211CC..Hα-helixtrans-55.6-50.7169.1174.30000110.6V292 L296 S302 R303 L304 L310V292-V306 HydrophobicContact CB-CG1 4.02Å; V292-V306 HydrophobicContact CG1-CG1 3.63Å; V292-V306 HydrophobicContact CG1-CG2 4.21Å; L296-V306 HydrophobicContact CD1-CG2 3.4Å; S302-V306 PolarHBondContact O-N 2.68Å; R303-V306 WeakPolarHBondContact O-CB 3.31Å; R303-V306 PolarHBondContact O-N 3.08Å; L304-V306 VanDerWaalsContact C-N 3.26Å; L304-V306 PolarHBondContact O-N 2.69Å; V306-L310 WeakPolarHBondContact O-CB 3.46Å; V306-L310 PolarHBondContact O-N 3.1Å
307F93.3Very high87Confident0 Ų036.9 Ų36.90%020%0.201CC..Hα-helixtrans-71.4-37.8-179.3-71.3-75.7000112L185 L187 I229 L257 H293 R303 L304 N305 N309 L310 L311L185-F307 HydrophobicContact CD1-CD2 4.5Å; L185-F307 HydrophobicContact CD1-CE2 3.79Å; L185-F307 HydrophobicContact CD1-CZ 4.29Å; L185-F307 HydrophobicContact CD2-CE2 3.84Å; L185-F307 HydrophobicContact CD2-CZ 3.74Å; L187-F307 HydrophobicContact CD1-CE1 4.5Å; L187-F307 HydrophobicContact CD1-CZ 4.3Å; I229-F307 HydrophobicContact CD1-CB 3.7Å; I229-F307 HydrophobicContact CD1-CD2 3.88Å; I229-F307 HydrophobicContact CD1-CG 3.81Å; I229-F307 HydrophobicContact CG1-CB 4.34Å; I229-F307 HydrophobicContact CG1-CD1 4.33Å; I229-F307 HydrophobicContact CG1-CD2 3.98Å; I229-F307 HydrophobicContact CG1-CE2 4.36Å; I229-F307 HydrophobicContact CG1-CG 3.96Å; L257-F307 HydrophobicContact CD2-CB 4.12Å; H293-F307 HydrophobicContact CB-CE2 4.12Å; H293-F307 HydrophobicContact CB-CZ 4.26Å; H293-F307 AromaticContact CD2-CE2 3.79Å; R303-F307 WeakPolarHBondContact O-CD2 3.37Å; L304-F307 PolarHBondContact O-N 3.26Å; N305-F307 VanDerWaalsContact C-N 3.33Å; N305-F307 PolarHBondContact O-N 2.88Å; F307-N309 VanDerWaalsContact C-N 3.34Å; F307-N309 PolarHBondContact O-N 3.16Å; F307-L310 PolarHBondContact O-N 3.04Å; F307-L311 HydrophobicContact CB-CD1 4.13Å; F307-L311 HydrophobicContact CB-CG 4.39Å; F307-L311 HydrophobicContact CD1-CD1 3.94Å; F307-L311 HydrophobicContact CD1-CG 4.3Å; F307-L311 HydrophobicContact CG-CD1 4.5Å; F307-L311 WeakPolarHBondContact O-CA 3.02Å; F307-L311 WeakPolarHBondContact O-CB 3.47Å; F307-L311 VanDerWaalsContact O-CG 3.24Å; F307-L311 WeakPolarHBondContact O-CG 3.47Å; F307-L311 PolarHBondContact O-N 3.41Å
308R91.9Very high86.6Confident88 Ų8835 Ų3533%0.33219%0.187SC..Hα-helixtrans-58-47.3174.5-72-179.6173.4153.2-6.1111.7L257 L304 N305 L310 I312L257-R308 HydrophobicContact CD1-CG 4.4Å; L257-R308 HydrophobicContact CD2-CG 4.11Å; L304-R308 VanDerWaalsContact CD2-CZ 3.47Å; L304-R308 HydrophobicContact CG-CG 4.43Å; L304-R308 PolarHBondContact O-N 3.16Å; N305-R308 PolarHBondContact O-N 3.12Å; N305-R308 PolarHBondContact OD1-NH1 2.94Å; R308-L310 VanDerWaalsContact C-N 3.35Å; R308-L310 PolarHBondContact O-N 3.19Å; R308-I312 HydrophobicContact CB-CD1 3.97Å; R308-I312 HydrophobicContact CG-CD1 4.07Å; R308-I312 WeakPolarHBondContact O-CB 3.16Å; R308-I312 WeakPolarHBondContact O-CG1 3.39Å; R308-I312 PolarHBondContact O-N 2.55Å; R308-I312 VanDerWaalsContact O-N 3.16Å
309N88.4Confident85.7Confident81 Ų8134.9 Ų34.943%0.43318%0.176SC..Hα-helixtrans-70.9-31-178.7-70.6-20000113.1N305 F307 R314N305-N309 WeakPolarHBondContact O-CB 3.43Å; N305-N309 VanDerWaalsContact O-CG 3.3Å; N305-N309 PolarHBondContact O-N 3.23Å; N305-N309 PolarHBondContact O-ND2 3.01Å; F307-N309 VanDerWaalsContact C-N 3.34Å; F307-N309 PolarHBondContact O-N 3.16Å; N309-R314 PolarHBondContact OD1-NH2 3.38Å
310L91Very high83.6Confident24 Ų2434.6 Ų34.613%0.12618%0.176CC..Hα-helixtrans-84.7-38-179.3-171.675.6000113.3V285 K288 G289 V306 F307 R308V285-L310 HydrophobicContact CG1-CD2 4Å; V285-L310 HydrophobicContact CG1-CG 3.94Å; V285-L310 VanDerWaalsContact O-CD2 3.3Å; V285-L310 WeakPolarHBondContact O-CD2 3.31Å; K288-L310 HydrophobicContact CB-CD2 4.35Å; K288-L310 HydrophobicContact CD-CD1 3.81Å; K288-L310 HydrophobicContact CG-CD1 4.1Å; K288-L310 HydrophobicContact CG-CD2 4.39Å; G289-L310 VanDerWaalsContact N-CD2 3.32Å; V306-L310 WeakPolarHBondContact O-CB 3.46Å; V306-L310 PolarHBondContact O-N 3.1Å; F307-L310 PolarHBondContact O-N 3.04Å; R308-L310 VanDerWaalsContact C-N 3.35Å; R308-L310 PolarHBondContact O-N 3.19Å
311L94.7Very high81.4Confident0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-95.9-38.9-168.9-57.7-174.3000112.6I229 I231 L257 L259 I264 Q265 V285 F307 T313I229-L311 HydrophobicContact CG2-CD1 3.84Å; I231-L311 HydrophobicContact CD1-CD1 4.32Å; L257-L311 HydrophobicContact CD2-CB 4.49Å; L257-L311 HydrophobicContact CD2-CD1 4.25Å; L259-L311 HydrophobicContact CD1-CB 3.59Å; L259-L311 HydrophobicContact CD1-CD1 4.2Å; I264-L311 CarbonylContact C-O 3.55Å; I264-L311 WeakPolarHBondContact CA-O 3.45Å; I264-L311 HydrophobicContact CG2-CB 4.37Å; I264-L311 HydrophobicContact CG2-CD2 3.94Å; Q265-L311 PolarHBondContact N-O 3.39Å; V285-L311 HydrophobicContact CG1-CD2 3.37Å; F307-L311 HydrophobicContact CB-CD1 4.13Å; F307-L311 HydrophobicContact CB-CG 4.39Å; F307-L311 HydrophobicContact CD1-CD1 3.94Å; F307-L311 HydrophobicContact CD1-CG 4.3Å; F307-L311 HydrophobicContact CG-CD1 4.5Å; F307-L311 WeakPolarHBondContact O-CA 3.02Å; F307-L311 WeakPolarHBondContact O-CB 3.47Å; F307-L311 VanDerWaalsContact O-CG 3.24Å; F307-L311 WeakPolarHBondContact O-CG 3.47Å; F307-L311 PolarHBondContact O-N 3.41Å; L311-T313 PolarHBondContact O-N 2.94Å
312I91.7Very high78.8Confident29 Ų2941.7 Ų41.715%0.14921%0.208CC..BIsolated β-bridgetrans-73.2121.2-170.8-60.9174.1000110.2L257 L259 R308 R314L257-I312 HydrophobicContact CD1-CD1 3.87Å; L257-I312 HydrophobicContact CD1-CG1 4.15Å; L257-I312 HydrophobicContact CD2-CG1 4.49Å; L259-I312 HydrophobicContact CD1-CG1 4.24Å; L259-I312 HydrophobicContact CD2-CG1 4.16Å; R308-I312 HydrophobicContact CB-CD1 3.97Å; R308-I312 HydrophobicContact CG-CD1 4.07Å; R308-I312 WeakPolarHBondContact O-CB 3.16Å; R308-I312 WeakPolarHBondContact O-CG1 3.39Å; R308-I312 PolarHBondContact O-N 2.55Å; R308-I312 VanDerWaalsContact O-N 3.16Å; I312-R314 PolarHBondContact O-N 2.84Å
313T90.6Very high76.3Confident9 Ų944.9 Ų44.96%0.05522%0.217CC..  trans-71.7110165.9-570000109.3A263 Q265 W268 L311 F571A263-T313 VanDerWaalsContact O-CB 3.28Å; A263-T313 WeakPolarHBondContact O-CB 3.39Å; A263-T313 PolarHBondContact O-N 2.81Å; A263-T313 VanDerWaalsContact O-N 3.13Å; A263-T313 PolarHBondContact O-OG1 3.29Å; Q265-T313 WeakPolarHBondContact CA-OG1 3.34Å; Q265-T313 PolarHBondContact N-OG1 3.47Å; Q265-T313 VanDerWaalsContact N-OG1 3.15Å; W268-T313 VanDerWaalsContact NE1-CG2 3.31Å; W268-T313 PolarHBondContact NE1-OG1 3.36Å; L311-T313 PolarHBondContact O-N 2.94Å; T313-F571 HydrophobicContact CG2-CD1 4.16Å; T313-F571 HydrophobicContact CG2-CD2 3.57Å; T313-F571 HydrophobicContact CG2-CE1 4.2Å; T313-F571 HydrophobicContact CG2-CE2 3.66Å; T313-F571 HydrophobicContact CG2-CG 3.88Å; T313-F571 HydrophobicContact CG2-CZ 3.98Å
314R85.7Confident73.5Confident82 Ų8250.5 Ų50.531%0.30925%0.248SC..PPolyproline II helixtrans-78.5132.8177.1-62.3-179.3-178.5-164.6-5.6110.1N309 I312 T419N309-R314 PolarHBondContact OD1-NH2 3.38Å; I312-R314 PolarHBondContact O-N 2.84Å; R314-T419 WeakPolarHBondContact O-CB 3.35Å; R314-T419 PolarHBondContact O-OG1 3.48Å
315P82.4Confident70.9Confident24 Ų2458.5 Ų58.516%0.15629%0.285CS..PPolyproline II helixtrans-69.5165.4174.329.6-34.5000111.5L317 N564 I566 F604P315-L317 PolarHBondContact O-N 3.23Å; P315-N564 HydrophobicContact CB-CB 4.42Å; P315-I566 HydrophobicContact CG-CD1 4.35Å; P315-I566 HydrophobicContact CG-CG1 4.16Å; P315-F604 HydrophobicContact CB-CE2 4.04Å; P315-F604 HydrophobicContact CB-CZ 3.53Å; P315-F604 HydrophobicContact CG-CZ 3.98Å
316L82.5Confident68.3Low3 Ų361.2 Ų61.22%0.01630%0.299CS..PPolyproline II helixtrans-63.3122.2167.5-93.8151.1000110.1L382 T419 L421 A432 L434 R525 Y608L316-L382 HydrophobicContact CD1-CD1 4.23Å; L316-L382 HydrophobicContact CD2-CD1 4.1Å; L316-T419 HydrophobicContact CG-CG2 3.98Å; L316-L421 HydrophobicContact CD1-CD1 3.84Å; L316-A432 HydrophobicContact CD1-CB 3.89Å; L316-A432 HydrophobicContact CD2-CB 4.03Å; L316-A432 HydrophobicContact CG-CB 4.14Å; L316-L434 HydrophobicContact CD2-CB 3.68Å; L316-L434 VanDerWaalsContact CD2-N 3.35Å; L316-R525 PolarHBondContact O-NH1 2.77Å; L316-R525 PolarHBondContact O-NH2 3.43Å; L316-Y608 HydrophobicContact CD1-CE1 3.5Å; L316-Y608 VanDerWaalsContact CD1-CE1 3.5Å; L316-Y608 WeakPolarHBondContact CD1-OH 3.18Å
317L72Confident65.4Low41 Ų4166 Ų6622%0.21532%0.324CS..PPolyproline II helixtrans-76.1130.1177.1-66.9171.5000109.8P315 I321 S416P315-L317 PolarHBondContact O-N 3.23Å; L317-I321 HydrophobicContact CD2-CD1 3.51Å; L317-I321 HydrophobicContact CD2-CG1 3.91Å; L317-S416 WeakPolarHBondContact CD1-O 3.37Å
318T56.5Low62.4Low14 Ų1473.1 Ų73.19%0.08636%0.363CS..SBendtrans-98.1-15.7170.451.50000111.9L434 I493 R525T318-L434 HydrophobicContact CG2-CD2 3.64Å; T318-I493 HydrophobicContact CG2-CD1 3.55Å; T318-I493 HydrophobicContact CG2-CG1 4.39Å; T318-R525 PolarHBondContact OG1-NH1 3.32Å
319H59.1Low59.8Low96 Ų9677.7 Ų77.744%0.44439%0.388SS..SBendtrans-153.3162-178.957.8-76.2000108.7I321H319-I321 PolarHBondContact O-N 3.31Å
320T43.3Very low57.2Low40 Ų4079.4 Ų79.425%0.24539%0.393CS..  trans-71.9114.4172.655.80000109M439 K442T320-M439 HydrophobicContact CG2-CG 3.87Å; T320-K442 VanDerWaalsContact CB-NZ 3.31Å; T320-K442 HydrophobicContact CG2-CD 3.98Å; T320-K442 PolarHBondContact OG1-NZ 3.15Å
321I43.1Very low54.4Low64 Ų6482.7 Ų82.733%0.32842%0.418SS..  trans-73.5130.5169.7-60.3174.3000107.2L317 H319 H323 I566L317-I321 HydrophobicContact CD2-CD1 3.51Å; L317-I321 HydrophobicContact CD2-CG1 3.91Å; H319-I321 PolarHBondContact O-N 3.31Å; I321-H323 VanDerWaalsContact CG2-CD2 3.45Å; I321-H323 WeakPolarHBondContact CG2-CD2 3.01Å; I321-H323 PolarHBondContact O-N 2.66Å; I321-I566 HydrophobicContact CD1-CD1 4.37Å
322H36.6Very low51.2Low159 Ų15990.3 Ų90.374%0.73646%0.459SS*.  trans-66.573.8167.2-85.8-79.4000109.3D324H322-D324 PolarHBondContact O-N 2.88Å
323H37.6Very low48.5Very low116 Ų11694.2 Ų94.254%0.53748%0.475SS..  trans-93.484.6161.3-87.7-57.5000107.9I321 Q325I321-H323 VanDerWaalsContact CG2-CD2 3.45Å; I321-H323 WeakPolarHBondContact CG2-CD2 3.01Å; I321-H323 PolarHBondContact O-N 2.66Å; H323-Q325 PolarHBondContact O-N 2.7Å
324D31.1Very low45.6Very low122 Ų122102.7 Ų102.765%0.65251%0.511SS*.THydrogen-bonded Turntrans-63.88172.1-84.5-29000113.7H322H322-D324 PolarHBondContact O-N 2.88Å
325Q36.4Very low43.3Very low171 Ų171104.3 Ų104.380%0.79953%0.525SS*.THydrogen-bonded Turntrans-108.6-5.6-173.9-70.1-166.3-25.100115.7H323H323-Q325 PolarHBondContact O-N 2.7Å
326D36.4Very low41.1Very low99 Ų99106 Ų10653%0.52954%0.538SS..  trans-104.326.6174.7-83.2-10.1000112.6D328D326-D328 PolarHBondContact O-N 2.85Å
327N28.3Very low38.8Very low124 Ų124114.2 Ų114.266%0.66358%0.576SS**  trans-75.90.2-179.4-93-21.4000115.3
328D31.7Very low37.2Very low150 Ų150117.8 Ų117.880%0.80260%0.6SS**SBendtrans-105.3102.7-177.9-68.5-30.5000110.6D326D326-D328 PolarHBondContact O-N 2.85Å
329Q35.9Very low36.7Very low184 Ų184120.7 Ų120.786%0.8661%0.614SS**  trans105.246.1175.4-55.3-176.91.600116.6S331Q329-S331 PolarHBondContact O-N 2.95Å
330E34.8Very low36.1Very low116 Ų116119.8 Ų119.854%0.54262%0.618SS.*  trans-6784.7135.6-84.1-167.3160.100107.7N332 H444E330-N332 PolarHBondContact O-N 2.83Å; E330-N332 VanDerWaalsContact O-N 3.07Å; E330-H444 IonicContact OE2-CD2 3.71Å; E330-H444 IonicContact OE2-CE1 3.42Å; E330-H444 PolarHBondContact OE2-CE1 2.76Å; E330-H444 IonicContact OE2-ND1 3.96Å; E330-H444 IonicContact OE2-NE2 3.31Å; E330-H444 PolarHBondContact OE2-NE2 3.03Å
331S31.5Very low36.5Very low93 Ų93119.9 Ų119.965%0.6562%0.621SS**  trans-47.8119.917056.20000108.2Q329 F333Q329-S331 PolarHBondContact O-N 2.95Å; S331-F333 PolarHBondContact O-N 3.01Å
332N29Very low37.2Very low160 Ų160121.4 Ų121.486%0.85664%0.637SS**  trans-20.898.4169.7-73.9-45.9000110.9E330 K334E330-N332 PolarHBondContact O-N 2.83Å; E330-N332 VanDerWaalsContact O-N 3.07Å; N332-K334 PolarHBondContact O-N 2.85Å
333F33.6Very low39Very low111 Ų111119.1 Ų119.149%0.48763%0.63SS.*  trans-62.888.5173.5-113.5-91.4000105.8S331 L335 P412S331-F333 PolarHBondContact O-N 3.01Å; F333-L335 PolarHBondContact O-N 2.58Å; F333-P412 HydrophobicContact CE1-CG 3.92Å; F333-P412 HydrophobicContact CZ-CG 3.95Å
334K31.3Very low41.1Very low187 Ų187114.8 Ų114.881%0.81361%0.61SS**  trans-55.2105145.9-87.8-178.2176177.10102.7N332 S336N332-K334 PolarHBondContact O-N 2.85Å; K334-S336 VanDerWaalsContact C-N 3.26Å; K334-S336 VanDerWaalsContact O-CA 3.28Å; K334-S336 WeakPolarHBondContact O-CA 3.45Å; K334-S336 PolarHBondContact O-N 2.88Å
335L36.8Very low43.8Very low116 Ų116115 Ų11561%0.60761%0.606SS**  trans-33.2103.3162.2-163.7101.2000104.8F333 Q337 M445F333-L335 PolarHBondContact O-N 2.58Å; L335-Q337 PolarHBondContact O-N 3.04Å; L335-M445 HydrophobicContact CD1-CE 4.32Å; L335-M445 HydrophobicContact CD1-SD 3.48Å; L335-M445 WeakPolarHBondContact CD1-SD 2.92Å
336S35.1Very low46.3Very low61 Ų61109 Ų10943%0.42758%0.576SS.*  trans-66.598.6-163.539.80000105.2K334 T338K334-S336 VanDerWaalsContact C-N 3.26Å; K334-S336 VanDerWaalsContact O-CA 3.28Å; K334-S336 WeakPolarHBondContact O-CA 3.45Å; K334-S336 PolarHBondContact O-N 2.88Å; S336-T338 PolarHBondContact O-N 2.05Å
337Q35.2Very low48.9Very low175 Ų175106.3 Ų106.382%0.81856%0.561SS**  trans-52.9103.4163.5-77.6178.2-28.600103.7L335L335-Q337 PolarHBondContact O-N 3.04Å
338T38.7Very low51.8Low116 Ų116104 Ų10471%0.71255%0.548SS*.  trans52.493.9160.257.20000113.5S336 S340S336-T338 PolarHBondContact O-N 2.05Å; T338-S340 PolarHBondContact O-N 2.93Å
339I44.8Very low54.5Low74 Ų74100.4 Ų100.438%0.37953%0.526SS..  -47127.4125.2-67.3160.7000103.9S341 M344 F410I339-S341 PolarHBondContact O-N 3.39Å; I339-S341 PolarHBondContact O-OG 3.06Å; I339-M344 HydrophobicContact CG2-SD 4.44Å; I339-F410 HydrophobicContact CD1-CD1 4.36Å; I339-F410 HydrophobicContact CD1-CE1 3.81Å
340S45.9Very low56.6Low77 Ų7794.7 Ų94.754%0.53850%0.503SS..  trans-63.767.7172.2-179.60000108.4T338 S342T338-S340 PolarHBondContact O-N 2.93Å; S340-S342 PolarHBondContact O-N 2.85Å; S340-S342 PolarHBondContact OG-OG 3.24Å
341S53.2Low58.6Low43 Ų4395 Ų9530%0.30151%0.509SS..THydrogen-bonded Turntrans-73.5-5.8-179.353.20000110.7I339 N343I339-S341 PolarHBondContact O-N 3.39Å; I339-S341 PolarHBondContact O-OG 3.06Å; S341-N343 PolarHBondContact O-N 3.49Å
342S56.4Low60.8Low96 Ų9694 Ų9467%0.67149%0.494SS*.THydrogen-bonded Turntrans-62.9-24.8176.1590000113.1S340S340-S342 PolarHBondContact O-N 2.85Å; S340-S342 PolarHBondContact OG-OG 3.24Å
343N74.5Confident63Low110 Ų11090.3 Ų90.359%0.58848%0.477SS*.SBendtrans-110.7-8.5-174.7-65.55.7000114.3S341 N364S341-N343 PolarHBondContact O-N 3.49Å; N343-N364 WeakPolarHBondContact O-CB 3.4Å
344M81.6Confident65.1Low25 Ų2589.1 Ų89.112%0.12348%0.476CS..SBendtrans-81144.4177.2-65.6-173.278.200110.5I339 N364 L367I339-M344 HydrophobicContact CG2-SD 4.44Å; M344-N364 WeakPolarHBondContact CG-O 3.33Å; M344-L367 HydrophobicContact CB-CD1 3.91Å; M344-L367 HydrophobicContact CB-CG 4.24Å; M344-L367 HydrophobicContact CE-CD2 4.32Å; M344-L367 HydrophobicContact CE-CG 4.06Å; M344-L367 HydrophobicContact SD-CD1 4.03Å; M344-L367 HydrophobicContact SD-CD2 4.46Å; M344-L367 HydrophobicContact SD-CG 4.13Å
345F88Confident67.6Low126 Ų12681.1 Ų81.155%0.55344%0.443SS*.EExtended strand (participates in β ladder)trans-77130.7179.4-168.2-104.1000110.4I347 P362 G365 L366 L367F345-I347 HydrophobicContact CD1-CD1 4.13Å; F345-I347 HydrophobicContact CD1-CG1 3.74Å; F345-I347 HydrophobicContact CE1-CD1 3.9Å; F345-I347 HydrophobicContact CE1-CG1 3.52Å; F345-P362 HydrophobicContact CB-CG 4.06Å; F345-G365 PolarHBondContact N-O 3.13Å; F345-L366 HydrophobicContact CB-CD1 4.43Å; F345-L366 HydrophobicContact CD1-CD1 3.82Å; F345-L366 WeakPolarHBondContact O-CA 3.27Å; F345-L367 PolarHBondContact O-N 3.21Å
346W89Confident69.9Low46 Ų4677.3 Ų77.317%0.17442%0.424CS..EExtended strand (participates in β ladder)trans-102.4133.2178.5-7581.1000111.2L367 H406 F410 V467W346-L367 CarbonylContact C-O 3.52Å; W346-L367 WeakPolarHBondContact CA-O 3.28Å; W346-L367 HydrophobicContact CD2-CB 3.93Å; W346-L367 HydrophobicContact CD2-CD1 4.07Å; W346-L367 VanDerWaalsContact CE2-CD1 3.42Å; W346-L367 HydrophobicContact CE3-CB 3.96Å; W346-L367 HydrophobicContact CG-CB 4.4Å; W346-L367 HydrophobicContact CH2-CD1 3.98Å; W346-L367 HydrophobicContact CZ2-CB 4.5Å; W346-L367 HydrophobicContact CZ2-CD1 3.4Å; W346-L367 VanDerWaalsContact CZ2-CD1 3.4Å; W346-L367 HydrophobicContact CZ3-CB 4.26Å; W346-H406 VanDerWaalsContact CB-CE1 3.48Å; W346-H406 WeakPolarHBondContact CB-CE1 3.33Å; W346-H406 AromaticContact CD1-CD2 3.99Å; W346-H406 HydrophobicContact CD2-CB 4.01Å; W346-H406 AromaticContact CD2-CD2 3.81Å; W346-H406 AromaticContact CD2-CG 3.67Å; W346-H406 AromaticContact CD2-ND1 3.98Å; W346-H406 HydrophobicContact CE3-CB 3.75Å; W346-H406 AromaticContact CE3-CG 3.73Å; W346-H406 AromaticContact CE3-ND1 3.88Å; W346-H406 AromaticContact CG-CD2 3.73Å; W346-H406 AromaticContact CG-CE1 3.88Å; W346-H406 AromaticContact CG-CG 3.97Å; W346-H406 AromaticContact CG-NE2 3.7Å; W346-H406 HydrophobicContact CH2-CB 4.04Å; W346-H406 HydrophobicContact CZ2-CB 4.26Å; W346-H406 HydrophobicContact CZ3-CB 3.78Å; W346-F410 HydrophobicContact CH2-CD2 4.31Å; W346-F410 HydrophobicContact CH2-CE2 4.02Å; W346-V467 HydrophobicContact CH2-CG1 4.43Å; W346-V467 HydrophobicContact CZ3-CG1 4.06Å; W346-V467 HydrophobicContact CZ3-CG2 4.19Å
347I90.7Very high72.4Confident43 Ų4375.4 Ų75.422%0.22141%0.408CS..EExtended strand (participates in β ladder)trans-123.6119.9169.1-60.1179.1000108.4F345 K349 F359 L366 L367 V368 K369F345-I347 HydrophobicContact CD1-CD1 4.13Å; F345-I347 HydrophobicContact CD1-CG1 3.74Å; F345-I347 HydrophobicContact CE1-CD1 3.9Å; F345-I347 HydrophobicContact CE1-CG1 3.52Å; I347-K349 HydrophobicContact CG2-CD 4.47Å; I347-K349 HydrophobicContact CG2-CG 4.04Å; I347-F359 HydrophobicContact CD1-CD1 3.91Å; I347-F359 HydrophobicContact CD1-CE1 4.11Å; I347-F359 HydrophobicContact CG2-CE1 4.36Å; I347-L366 HydrophobicContact CB-CD1 4.39Å; I347-L366 HydrophobicContact CD1-CD1 3.5Å; I347-L366 VanDerWaalsContact CD1-CD1 3.5Å; I347-L366 HydrophobicContact CD1-CD2 4.45Å; I347-L366 HydrophobicContact CG1-CD1 3.66Å; I347-L367 PolarHBondContact N-O 2.76Å; I347-V368 CarbonylContact O-C 3.52Å; I347-V368 WeakPolarHBondContact O-CA 3.48Å; I347-K369 PolarHBondContact O-N 3.2Å
348D89.2Confident75Confident74 Ų7470.9 Ų70.940%0.39639%0.39SS..EExtended strand (participates in β ladder)trans-90.8115.1173.6-72.5-11.8000109.4K369 H406D348-K369 WeakPolarHBondContact OD1-CE 3.49Å; D348-K369 IonicContact OD1-NZ 2.83Å; D348-K369 PolarHBondContact OD1-NZ 2.79Å; D348-K369 IonicContact OD2-NZ 2.8Å; D348-K369 PolarHBondContact OD2-NZ 3.1Å; D348-H406 IonicContact OD1-ND1 3.46Å; D348-H406 PolarHBondContact OD1-ND1 2.87Å; D348-H406 IonicContact OD2-ND1 3.7Å
349K88.9Confident77.4Confident76 Ų7666.3 Ų66.333%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-114.264174.9-75-63.2-173.3177.60109.7I347 Q352 M357 F359 V368 K369 F370I347-K349 HydrophobicContact CG2-CD 4.47Å; I347-K349 HydrophobicContact CG2-CG 4.04Å; K349-Q352 HydrophobicContact CB-CG 4.01Å; K349-M357 HydrophobicContact CB-SD 4.5Å; K349-M357 HydrophobicContact CD-SD 4.09Å; K349-M357 HydrophobicContact CG-SD 4.02Å; K349-F359 HydrophobicContact CG-CZ 4.34Å; K349-V368 HydrophobicContact CB-CG1 4.32Å; K349-V368 HydrophobicContact CG-CG1 4.02Å; K349-K369 CarbonylContact C-O 3.54Å; K349-K369 WeakPolarHBondContact CA-O 3.39Å; K349-K369 PolarHBondContact N-O 2.77Å; K349-F370 HydrophobicContact CB-CD1 3.81Å; K349-F370 HydrophobicContact CB-CE1 3.64Å; K349-F370 HydrophobicContact CG-CE1 4.25Å
350T80.3Confident79.5Confident63 Ų6371.5 Ų71.539%0.38738%0.376SS..EExtended strand (participates in β ladder)trans-70.8151.5-17955.20000112Q352 G371 Y465T350-Q352 PolarHBondContact O-N 3.27Å; T350-Q352 VanDerWaalsContact O-N 3.11Å; T350-G371 CarbonylContact C-O 3.58Å; T350-G371 WeakPolarHBondContact CA-O 3.29Å; T350-G371 VanDerWaalsContact CB-O 3.3Å; T350-G371 WeakPolarHBondContact CB-O 3.4Å; T350-Y465 HydrophobicContact CG2-CE1 4.25Å
351N77.1Confident81.4Confident124 Ų12468 Ų6866%0.66335%0.351SS*.THydrogen-bonded Turntrans5623.9178.6-56.5-17.4000115.1G371N351-G371 PolarHBondContact N-O 3.35Å
352Q77.4Confident83Confident72 Ų7267.6 Ų67.634%0.33635%0.347SS..  trans-84.1115.5171.2-65.6-61.2-60.500109.4K349 T350 M357K349-Q352 HydrophobicContact CB-CG 4.01Å; T350-Q352 PolarHBondContact O-N 3.27Å; T350-Q352 VanDerWaalsContact O-N 3.11Å; Q352-M357 HydrophobicContact CG-SD 4.48Å
353T75.2Confident84.4Confident81 Ų8169 Ų6950%0.49734%0.339SS..  trans-114.9141.316855.20000108.1S355 T485T353-S355 PolarHBondContact O-N 3.04Å; T353-T485 VanDerWaalsContact CB-OG1 3.3Å; T353-T485 WeakPolarHBondContact CB-OG1 3.29Å; T353-T485 HydrophobicContact CG2-CG2 4.43Å; T353-T485 WeakPolarHBondContact CG2-OG1 3.37Å
354N78.5Confident84.9Confident87 Ų8768.1 Ų68.147%0.46533%0.334SS..SBendtrans52.956.5171.6-54.63000113.4V483 D484 T485N354-V483 CarbonylContact C-O 3.55Å; N354-V483 WeakPolarHBondContact CA-O 3.31Å; N354-V483 PolarHBondContact N-O 3.29Å; N354-V483 VanDerWaalsContact N-O 3.12Å; N354-D484 PolarHBondContact OD1-OD1 3.29Å; N354-T485 PolarHBondContact OD1-N 3.14Å; N354-T485 PolarHBondContact OD1-O 3.28Å; N354-T485 PolarHBondContact OD1-OG1 3.01Å
355S83.1Confident85.2Confident18 Ų1866.9 Ų66.913%0.12633%0.328CS..EExtended strand (participates in β ladder)trans-129145.9-173.260.30000112.9T353 M357 V483T353-S355 PolarHBondContact O-N 3.04Å; S355-M357 WeakPolarHBondContact OG-CE 3.41Å; S355-V483 PolarHBondContact N-O 3.28Å; S355-V483 PolarHBondContact O-N 3.27Å
356I84.7Confident85.3Confident37 Ų3761 Ų6119%0.1930%0.302CS..EExtended strand (participates in β ladder)trans-109.5125.7170-46.6176000108.3T480 F482 P611I356-T480 HydrophobicContact CG2-CG2 3.89Å; I356-F482 HydrophobicContact CB-CD1 4.26Å; I356-F482 HydrophobicContact CB-CE1 4.02Å; I356-F482 HydrophobicContact CB-CZ 4.33Å; I356-F482 HydrophobicContact CD1-CD1 3.9Å; I356-F482 HydrophobicContact CD1-CE1 3.2Å; I356-F482 HydrophobicContact CD1-CZ 3.9Å; I356-F482 HydrophobicContact CG1-CD1 3.49Å; I356-F482 VanDerWaalsContact CG1-CD1 3.49Å; I356-F482 HydrophobicContact CG1-CE1 3.3Å; I356-F482 HydrophobicContact CG1-CG 4.39Å; I356-F482 HydrophobicContact CG1-CZ 4.06Å; I356-F482 HydrophobicContact CG2-CD1 4.09Å; I356-F482 HydrophobicContact CG2-CD2 4.36Å; I356-F482 HydrophobicContact CG2-CE1 3.6Å; I356-F482 HydrophobicContact CG2-CE2 3.89Å; I356-F482 HydrophobicContact CG2-CG 4.4Å; I356-F482 HydrophobicContact CG2-CZ 3.4Å; I356-P611 HydrophobicContact CD1-CG 3.31Å; I356-P611 HydrophobicContact CG1-CG 4.07Å
357M88.8Confident85.4Confident20 Ų2058.9 Ų58.910%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-130.9137.6-179.7-69.6164-75.900110.9K349 Q352 S355 F359 F370 T480 I481 V483K349-M357 HydrophobicContact CB-SD 4.5Å; K349-M357 HydrophobicContact CD-SD 4.09Å; K349-M357 HydrophobicContact CG-SD 4.02Å; Q352-M357 HydrophobicContact CG-SD 4.48Å; S355-M357 WeakPolarHBondContact OG-CE 3.41Å; M357-F359 HydrophobicContact CB-CD2 4.26Å; M357-F359 HydrophobicContact CB-CE2 3.38Å; M357-F359 HydrophobicContact CB-CZ 3.62Å; M357-F359 HydrophobicContact CG-CE2 4.45Å; M357-F359 HydrophobicContact CG-CZ 4.28Å; M357-F359 HydrophobicContact SD-CE2 4.47Å; M357-F359 HydrophobicContact SD-CZ 3.98Å; M357-F370 HydrophobicContact CE-CD1 4.37Å; M357-F370 HydrophobicContact CE-CE1 3.35Å; M357-F370 HydrophobicContact CE-CZ 3.88Å; M357-F370 HydrophobicContact SD-CE1 4.13Å; M357-T480 CarbonylContact O-C 3.51Å; M357-T480 WeakPolarHBondContact O-CA 3.41Å; M357-I481 PolarHBondContact N-O 2.84Å; M357-I481 PolarHBondContact O-N 3.27Å; M357-V483 HydrophobicContact CE-CG2 4.38Å
358N88.6Confident85.5Confident81 Ų8156.8 Ų56.843%0.43328%0.284SS..EExtended strand (participates in β ladder)trans-105.7136.6170.9-68.2-9.6000109M479 T480N358-M479 CarbonylContact C-O 3.55Å; N358-M479 WeakPolarHBondContact CA-O 3.13Å; N358-T480 VanDerWaalsContact OD1-CG2 3.26Å; N358-T480 WeakPolarHBondContact OD1-CG2 3.12Å; N358-T480 PolarHBondContact OD1-OG1 2.78Å
359F89.2Confident85.7Confident20 Ų2053.8 Ų53.89%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-128.5138.2178.1-59.4-84.9000109.8I347 K349 M357 L366 V368 M479 I481I347-F359 HydrophobicContact CD1-CD1 3.91Å; I347-F359 HydrophobicContact CD1-CE1 4.11Å; I347-F359 HydrophobicContact CG2-CE1 4.36Å; K349-F359 HydrophobicContact CG-CZ 4.34Å; M357-F359 HydrophobicContact CB-CD2 4.26Å; M357-F359 HydrophobicContact CB-CE2 3.38Å; M357-F359 HydrophobicContact CB-CZ 3.62Å; M357-F359 HydrophobicContact CG-CE2 4.45Å; M357-F359 HydrophobicContact CG-CZ 4.28Å; M357-F359 HydrophobicContact SD-CE2 4.47Å; M357-F359 HydrophobicContact SD-CZ 3.98Å; F359-L366 HydrophobicContact CB-CD2 3.6Å; F359-L366 HydrophobicContact CD1-CD2 4.2Å; F359-L366 HydrophobicContact CG-CD2 3.96Å; F359-V368 HydrophobicContact CD1-CG2 4.47Å; F359-V368 HydrophobicContact CD2-CG2 4.45Å; F359-V368 HydrophobicContact CE1-CG1 4.36Å; F359-V368 HydrophobicContact CE1-CG2 4.34Å; F359-V368 HydrophobicContact CE2-CG1 4.36Å; F359-V368 HydrophobicContact CE2-CG2 4.32Å; F359-V368 HydrophobicContact CZ-CG1 3.88Å; F359-V368 HydrophobicContact CZ-CG2 4.27Å; F359-M479 HydrophobicContact CB-CB 4.48Å; F359-M479 PolarHBondContact N-O 3.2Å; F359-M479 PolarHBondContact O-N 3.4Å; F359-I481 HydrophobicContact CD2-CD1 3.94Å; F359-I481 HydrophobicContact CD2-CG1 4.1Å; F359-I481 HydrophobicContact CE2-CB 4.31Å; F359-I481 HydrophobicContact CE2-CD1 3.72Å; F359-I481 HydrophobicContact CE2-CG1 4.04Å
360Y88.4Confident85.9Confident183 Ų18350.1 Ų50.172%0.71825%0.251SS*.EExtended strand (participates in β ladder)trans-81.3123.4163.7-72.5-84.3000108P362 N478Y360-P362 WeakPolarHBondContact O-CD 3.41Å; Y360-N478 WeakPolarHBondContact CD1-OD1 3.33Å; Y360-N478 WeakPolarHBondContact CE1-OD1 3.22Å
361V86.6Confident86.4Confident2 Ų247.2 Ų47.21%0.01223%0.233CC..PPolyproline II helixtrans-85.8117.6-179.4-174.80000109L366 T470 N473 D477 M479V361-L366 HydrophobicContact CG1-CB 4.42Å; V361-T470 HydrophobicContact CG1-CG2 4.26Å; V361-T470 WeakPolarHBondContact CG1-OG1 3.38Å; V361-T470 HydrophobicContact CG2-CG2 3.85Å; V361-N473 HydrophobicContact CB-CB 4.31Å; V361-N473 HydrophobicContact CG1-CB 3.67Å; V361-D477 WeakPolarHBondContact CG2-O 3.4Å; V361-D477 PolarHBondContact N-O 3.22Å; V361-M479 HydrophobicContact CG2-CB 3.68Å
362P86.5Confident87Confident35 Ų3542.5 Ų42.523%0.22721%0.21CC..PPolyproline II helixtrans-71.5159.7176.331.3-31.6000110.4F345 Y360 N364 G365 L366F345-P362 HydrophobicContact CB-CG 4.06Å; Y360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-N364 VanDerWaalsContact C-N 3.27Å; P362-N364 PolarHBondContact O-N 2.98Å; P362-G365 WeakPolarHBondContact CG-O 3.34Å; P362-G365 WeakPolarHBondContact O-CA 3.45Å; P362-G365 PolarHBondContact O-N 3.24Å; P362-L366 HydrophobicContact CG-CB 4.49Å
363Y85.4Confident87.6Confident127 Ų12739.6 Ų39.650%0.49820%0.196SC..THydrogen-bonded Turntrans-50.3-44.6-179.4-178.5-99.2000113.5G365 I472 N473 P474Y363-G365 PolarHBondContact O-N 3.48Å; Y363-I472 WeakPolarHBondContact O-CG2 3.48Å; Y363-N473 WeakPolarHBondContact CA-O 3.36Å; Y363-N473 PolarHBondContact O-N 3.29Å; Y363-P474 HydrophobicContact CE2-CB 4.25Å
364N85.5Confident88.2Confident90 Ų9036.6 Ų36.648%0.48118%0.176SC..THydrogen-bonded Turntrans-73.8-5.4-179.5-64.9-6.1000114.1N343 M344 P362N343-N364 WeakPolarHBondContact O-CB 3.4Å; M344-N364 WeakPolarHBondContact CG-O 3.33Å; P362-N364 VanDerWaalsContact C-N 3.27Å; P362-N364 PolarHBondContact O-N 2.98Å
365G87.4Confident88.5Confident0 Ų039.6 Ų39.60%019%0.191CC..  trans89.4161.9-176.900000114.8F345 P362 Y363 G471F345-G365 PolarHBondContact N-O 3.13Å; P362-G365 WeakPolarHBondContact CG-O 3.34Å; P362-G365 WeakPolarHBondContact O-CA 3.45Å; P362-G365 PolarHBondContact O-N 3.24Å; Y363-G365 PolarHBondContact O-N 3.48Å; G365-G471 WeakPolarHBondContact CA-O 3.09Å
366L90.8Very high88.6Confident1 Ų141.3 Ų41.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-126138.3-174.5174.269000111.1F345 I347 F359 V361 P362 V368 T470F345-L366 HydrophobicContact CB-CD1 4.43Å; F345-L366 HydrophobicContact CD1-CD1 3.82Å; F345-L366 WeakPolarHBondContact O-CA 3.27Å; I347-L366 HydrophobicContact CB-CD1 4.39Å; I347-L366 HydrophobicContact CD1-CD1 3.5Å; I347-L366 VanDerWaalsContact CD1-CD1 3.5Å; I347-L366 HydrophobicContact CD1-CD2 4.45Å; I347-L366 HydrophobicContact CG1-CD1 3.66Å; F359-L366 HydrophobicContact CB-CD2 3.6Å; F359-L366 HydrophobicContact CD1-CD2 4.2Å; F359-L366 HydrophobicContact CG-CD2 3.96Å; V361-L366 HydrophobicContact CG1-CB 4.42Å; P362-L366 HydrophobicContact CG-CB 4.49Å; L366-V368 HydrophobicContact CD1-CG2 4.17Å; L366-V368 HydrophobicContact CD2-CG2 3.68Å; L366-V368 HydrophobicContact CG-CG2 3.72Å; L366-T470 WeakPolarHBondContact CA-OG1 3.15Å; L366-T470 HydrophobicContact CB-CG2 4.47Å; L366-T470 WeakPolarHBondContact CB-OG1 3.33Å; L366-T470 PolarHBondContact N-OG1 2.95Å; L366-T470 PolarHBondContact O-N 3.39Å; L366-T470 PolarHBondContact O-OG1 3.47Å
367L91.5Very high88.6Confident2 Ų243.8 Ų43.81%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-118.6120169.7-69167.8000109.4M344 F345 W346 I347 F410 V467 V468M344-L367 HydrophobicContact CB-CD1 3.91Å; M344-L367 HydrophobicContact CB-CG 4.24Å; M344-L367 HydrophobicContact CE-CD2 4.32Å; M344-L367 HydrophobicContact CE-CG 4.06Å; M344-L367 HydrophobicContact SD-CD1 4.03Å; M344-L367 HydrophobicContact SD-CD2 4.46Å; M344-L367 HydrophobicContact SD-CG 4.13Å; F345-L367 PolarHBondContact O-N 3.21Å; W346-L367 CarbonylContact C-O 3.52Å; W346-L367 WeakPolarHBondContact CA-O 3.28Å; W346-L367 HydrophobicContact CD2-CB 3.93Å; W346-L367 HydrophobicContact CD2-CD1 4.07Å; W346-L367 VanDerWaalsContact CE2-CD1 3.42Å; W346-L367 HydrophobicContact CE3-CB 3.96Å; W346-L367 HydrophobicContact CG-CB 4.4Å; W346-L367 HydrophobicContact CH2-CD1 3.98Å; W346-L367 HydrophobicContact CZ2-CB 4.5Å; W346-L367 HydrophobicContact CZ2-CD1 3.4Å; W346-L367 VanDerWaalsContact CZ2-CD1 3.4Å; W346-L367 HydrophobicContact CZ3-CB 4.26Å; I347-L367 PolarHBondContact N-O 2.76Å; L367-F410 HydrophobicContact CD2-CZ 4.31Å; L367-V467 HydrophobicContact CB-CG1 4.06Å; L367-V467 HydrophobicContact CD2-CG1 3.87Å; L367-V468 WeakPolarHBondContact CA-O 3.46Å
368V93.3Very high88.4Confident0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-112.3117.9178.8-168.50000109.7I347 K349 F359 L366 F370 V467 V468 I481I347-V368 CarbonylContact O-C 3.52Å; I347-V368 WeakPolarHBondContact O-CA 3.48Å; K349-V368 HydrophobicContact CB-CG1 4.32Å; K349-V368 HydrophobicContact CG-CG1 4.02Å; F359-V368 HydrophobicContact CD1-CG2 4.47Å; F359-V368 HydrophobicContact CD2-CG2 4.45Å; F359-V368 HydrophobicContact CE1-CG1 4.36Å; F359-V368 HydrophobicContact CE1-CG2 4.34Å; F359-V368 HydrophobicContact CE2-CG1 4.36Å; F359-V368 HydrophobicContact CE2-CG2 4.32Å; F359-V368 HydrophobicContact CZ-CG1 3.88Å; F359-V368 HydrophobicContact CZ-CG2 4.27Å; L366-V368 HydrophobicContact CD1-CG2 4.17Å; L366-V368 HydrophobicContact CD2-CG2 3.68Å; L366-V368 HydrophobicContact CG-CG2 3.72Å; V368-F370 HydrophobicContact CB-CE2 4Å; V368-F370 HydrophobicContact CB-CZ 4.12Å; V368-F370 HydrophobicContact CG1-CD2 4.49Å; V368-F370 HydrophobicContact CG1-CE1 3.91Å; V368-F370 HydrophobicContact CG1-CE2 3.68Å; V368-F370 HydrophobicContact CG1-CZ 3.36Å; V368-V467 WeakPolarHBondContact O-CA 3.49Å; V368-V468 PolarHBondContact N-O 3.29Å; V368-V468 PolarHBondContact O-N 2.98Å; V368-I481 HydrophobicContact CB-CD1 4.14Å; V368-I481 HydrophobicContact CG2-CD1 4.06Å
369K93Very high88.4Confident10 Ų1046.3 Ų46.34%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-98.4125.2-177.6-174.117880.4-148.40111.6I347 D348 K349 H406 Y465 V467I347-K369 PolarHBondContact O-N 3.2Å; D348-K369 WeakPolarHBondContact OD1-CE 3.49Å; D348-K369 IonicContact OD1-NZ 2.83Å; D348-K369 PolarHBondContact OD1-NZ 2.79Å; D348-K369 IonicContact OD2-NZ 2.8Å; D348-K369 PolarHBondContact OD2-NZ 3.1Å; K349-K369 CarbonylContact C-O 3.54Å; K349-K369 WeakPolarHBondContact CA-O 3.39Å; K349-K369 PolarHBondContact N-O 2.77Å; K369-H406 PolarHBondContact NZ-O 3.43Å; K369-Y465 HydrophobicContact CD-CD1 4.11Å; K369-Y465 HydrophobicContact CD-CG 4.1Å; K369-Y465 HydrophobicContact CG-CD1 4.01Å; K369-Y465 HydrophobicContact CG-CG 4.13Å; K369-V467 HydrophobicContact CB-CG2 4.02Å; K369-V467 HydrophobicContact CG-CG2 3.88Å
370F93.4Very high88.5Confident0 Ų046.5 Ų46.50%023%0.227CC..EExtended strand (participates in β ladder)trans-115.5148.7177.9-59.5-74.3000111.7K349 M357 V368 F373 Y465 L466 V468 I481 V483K349-F370 HydrophobicContact CB-CD1 3.81Å; K349-F370 HydrophobicContact CB-CE1 3.64Å; K349-F370 HydrophobicContact CG-CE1 4.25Å; M357-F370 HydrophobicContact CE-CD1 4.37Å; M357-F370 HydrophobicContact CE-CE1 3.35Å; M357-F370 HydrophobicContact CE-CZ 3.88Å; M357-F370 HydrophobicContact SD-CE1 4.13Å; V368-F370 HydrophobicContact CB-CE2 4Å; V368-F370 HydrophobicContact CB-CZ 4.12Å; V368-F370 HydrophobicContact CG1-CD2 4.49Å; V368-F370 HydrophobicContact CG1-CE1 3.91Å; V368-F370 HydrophobicContact CG1-CE2 3.68Å; V368-F370 HydrophobicContact CG1-CZ 3.36Å; F370-F373 VanDerWaalsContact C-CE2 3.41Å; F370-F373 HydrophobicContact CB-CE2 3.6Å; F370-F373 HydrophobicContact CB-CZ 3.75Å; F370-F373 WeakPolarHBondContact O-CE2 3.28Å; F370-Y465 CarbonylContact O-C 3.57Å; F370-Y465 VanDerWaalsContact O-CA 3.23Å; F370-Y465 WeakPolarHBondContact O-CA 3.35Å; F370-Y465 VanDerWaalsContact O-CB 3.26Å; F370-Y465 WeakPolarHBondContact O-CB 3.38Å; F370-Y465 WeakPolarHBondContact O-CD1 3.32Å; F370-L466 PolarHBondContact N-O 3.35Å; F370-L466 PolarHBondContact O-N 3.46Å; F370-V468 HydrophobicContact CD2-CG2 4.32Å; F370-V468 HydrophobicContact CE2-CB 4.46Å; F370-V468 HydrophobicContact CE2-CG2 3.97Å; F370-I481 HydrophobicContact CE2-CD1 4.04Å; F370-I481 HydrophobicContact CE2-CG2 4.01Å; F370-I481 HydrophobicContact CZ-CB 4.48Å; F370-I481 HydrophobicContact CZ-CD1 3.99Å; F370-I481 HydrophobicContact CZ-CG2 3.91Å; F370-V483 HydrophobicContact CD1-CG2 4.04Å; F370-V483 HydrophobicContact CD2-CG2 4.3Å; F370-V483 HydrophobicContact CE1-CG2 3.97Å; F370-V483 HydrophobicContact CE2-CG2 4.21Å; F370-V483 HydrophobicContact CG-CG2 4.21Å; F370-V483 HydrophobicContact CZ-CG2 4.02Å
371G89.5Confident88.7Confident1 Ų137.8 Ų37.81%0.0119%0.193CC..EExtended strand (participates in β ladder)trans120-160.6179.600000113.4T350 N351 Y465T350-G371 CarbonylContact C-O 3.58Å; T350-G371 WeakPolarHBondContact CA-O 3.29Å; T350-G371 VanDerWaalsContact CB-O 3.3Å; T350-G371 WeakPolarHBondContact CB-O 3.4Å; N351-G371 PolarHBondContact N-O 3.35Å; G371-Y465 VanDerWaalsContact C-CE1 3.49Å
372P90.2Very high89Confident25 Ų2537.7 Ų37.716%0.16219%0.192CC..EExtended strand (participates in β ladder)cis-66.71503.430.2-36.1000111.8K463 L464 Y465P372-K463 HydrophobicContact CB-CB 4.02Å; P372-K463 HydrophobicContact CB-CD 4.12Å; P372-K463 HydrophobicContact CB-CG 4.16Å; P372-K463 HydrophobicContact CG-CD 4.14Å; P372-L464 CarbonylContact C-O 3.54Å; P372-L464 VanDerWaalsContact CA-O 3.29Å; P372-L464 WeakPolarHBondContact CA-O 3.43Å; P372-Y465 HydrophobicContact CB-CD1 4.48Å; P372-Y465 HydrophobicContact CB-CE1 3.9Å; P372-Y465 HydrophobicContact CB-CE2 4.32Å; P372-Y465 HydrophobicContact CG-CE1 4.32Å
373F89.9Confident89.4Confident12 Ų1236 Ų365%0.05318%0.181CC..EExtended strand (participates in β ladder)trans-119.4174.6178.5-62.6-63.5000112.1F370 I375 I381 L464 L466 V483 T485F370-F373 VanDerWaalsContact C-CE2 3.41Å; F370-F373 HydrophobicContact CB-CE2 3.6Å; F370-F373 HydrophobicContact CB-CZ 3.75Å; F370-F373 WeakPolarHBondContact O-CE2 3.28Å; F373-I375 VanDerWaalsContact C-N 3.25Å; F373-I375 PolarHBondContact O-N 2.71Å; F373-I381 HydrophobicContact CB-CD1 3.44Å; F373-I381 VanDerWaalsContact CB-CD1 3.44Å; F373-I381 HydrophobicContact CD1-CD1 3.78Å; F373-I381 HydrophobicContact CD1-CG1 4.26Å; F373-I381 HydrophobicContact CD2-CD1 3.47Å; F373-I381 VanDerWaalsContact CD2-CD1 3.47Å; F373-I381 HydrophobicContact CE1-CD1 4.34Å; F373-I381 HydrophobicContact CE2-CD1 4.03Å; F373-I381 HydrophobicContact CE2-CG2 4.45Å; F373-I381 HydrophobicContact CG-CD1 3.3Å; F373-I381 HydrophobicContact CG-CG1 4.25Å; F373-I381 HydrophobicContact CZ-CD1 4.43Å; F373-I381 HydrophobicContact CZ-CG2 4.3Å; F373-L464 PolarHBondContact N-O 3.1Å; F373-L466 HydrophobicContact CD2-CD1 4.38Å; F373-L466 HydrophobicContact CD2-CG 4.23Å; F373-L466 HydrophobicContact CE2-CB 4.27Å; F373-L466 HydrophobicContact CE2-CD1 4.36Å; F373-L466 HydrophobicContact CE2-CG 4.36Å; F373-V483 HydrophobicContact CZ-CG1 4.32Å; F373-T485 HydrophobicContact CD1-CG2 4.38Å; F373-T485 HydrophobicContact CE1-CG2 3.81Å
374F88.1Confident89.8Confident18 Ų1830 Ų308%0.07916%0.158CC..  trans6229.2175.7-46.7-70.4000114N376 Q379 I381 I435 L437 L440 L464F374-N376 CarbonylContact C-O 3.5Å; F374-N376 WeakPolarHBondContact CA-O 3.35Å; F374-N376 PolarHBondContact O-N 2.94Å; F374-Q379 HydrophobicContact CD1-CB 4.21Å; F374-Q379 WeakPolarHBondContact CD1-O 3.48Å; F374-Q379 WeakPolarHBondContact CE1-O 3.35Å; F374-I381 HydrophobicContact CD1-CD1 4.45Å; F374-I381 HydrophobicContact CD2-CD1 4.42Å; F374-I381 HydrophobicContact CE1-CD1 3.66Å; F374-I381 HydrophobicContact CE1-CG1 4.08Å; F374-I381 HydrophobicContact CE2-CD1 3.63Å; F374-I381 HydrophobicContact CZ-CD1 3.21Å; F374-I381 HydrophobicContact CZ-CG1 4.05Å; F374-I435 HydrophobicContact CZ-CG2 4.05Å; F374-L437 HydrophobicContact CB-CB 4.3Å; F374-L437 HydrophobicContact CB-CD1 4.13Å; F374-L437 HydrophobicContact CB-CD2 4.4Å; F374-L437 HydrophobicContact CD1-CB 3.87Å; F374-L437 HydrophobicContact CD2-CD1 4.5Å; F374-L437 HydrophobicContact CE1-CB 4.42Å; F374-L437 HydrophobicContact CG-CB 4.11Å; F374-L437 HydrophobicContact CG-CD1 4.25Å; F374-L440 HydrophobicContact CD2-CD1 4.19Å; F374-L440 HydrophobicContact CE2-CD1 3.42Å; F374-L440 VanDerWaalsContact CE2-CD1 3.42Å; F374-L440 HydrophobicContact CZ-CD1 3.85Å; F374-L464 HydrophobicContact CD2-CB 4.16Å; F374-L464 HydrophobicContact CD2-CD1 4Å
375I83.8Confident90.1Very high150 Ų15025.8 Ų25.877%0.76914%0.135SC*.SBendtrans-58.7-39.7165-57.5173000108.7F373F373-I375 VanDerWaalsContact C-N 3.25Å; F373-I375 PolarHBondContact O-N 2.71Å
376N85.3Confident90.2Very high54 Ų5426.2 Ų26.229%0.28914%0.138SC..SBendtrans-92.4123.2162.9-177.8-3.3000108.9F374 E378 Q379 D487F374-N376 CarbonylContact C-O 3.5Å; F374-N376 WeakPolarHBondContact CA-O 3.35Å; F374-N376 PolarHBondContact O-N 2.94Å; N376-E378 PolarHBondContact O-N 3.15Å; N376-E378 PolarHBondContact OD1-N 2.97Å; N376-E378 VanDerWaalsContact OD1-N 3.1Å; N376-Q379 HydrophobicContact CB-CB 4.43Å; N376-Q379 WeakPolarHBondContact O-CB 3.21Å; N376-Q379 PolarHBondContact O-N 3.04Å; N376-Q379 VanDerWaalsContact O-N 3.08Å; N376-D487 PolarHBondContact ND2-OD2 3.48Å
377P84.7Confident89.9Confident89 Ų8929 Ų2958%0.57815%0.151SC*.THydrogen-bonded Turntrans-65.2-21.6-179.826.7-36.2000113.7Q379 L437P377-Q379 VanDerWaalsContact C-N 3.28Å; P377-L437 HydrophobicContact CB-CD2 3.87Å
378E85.1Confident89.7Confident126 Ų12630.3 Ų30.359%0.58916%0.159SC*.THydrogen-bonded Turntrans-83.6-2.2176.4-60.5-169.5168.800113N376 H380 D487N376-E378 PolarHBondContact O-N 3.15Å; N376-E378 PolarHBondContact OD1-N 2.97Å; N376-E378 VanDerWaalsContact OD1-N 3.1Å; E378-H380 PolarHBondContact O-CE1 3.02Å; E378-H380 PolarHBondContact O-N 2.97Å; E378-H380 PolarHBondContact O-ND1 3.31Å; E378-D487 CarbonylContact C-O 3.59Å; E378-D487 WeakPolarHBondContact CB-O 3.45Å
379Q89.2Confident89.3Confident27 Ų2732.9 Ų32.913%0.12618%0.175CC..  trans-62.6133.3-179.2-172.2172.954.700112F374 N376 P377 I381F374-Q379 HydrophobicContact CD1-CB 4.21Å; F374-Q379 WeakPolarHBondContact CD1-O 3.48Å; F374-Q379 WeakPolarHBondContact CE1-O 3.35Å; N376-Q379 HydrophobicContact CB-CB 4.43Å; N376-Q379 WeakPolarHBondContact O-CB 3.21Å; N376-Q379 PolarHBondContact O-N 3.04Å; N376-Q379 VanDerWaalsContact O-N 3.08Å; P377-Q379 VanDerWaalsContact C-N 3.28Å; Q379-I381 HydrophobicContact CG-CG1 4.48Å
380H91.6Very high88.7Confident24 Ų2439 Ų3911%0.11120%0.204CC..EExtended strand (participates in β ladder)trans-110.7142.5172.6-6366.5000109.7E378 L434 T436 T485 F486E378-H380 PolarHBondContact O-CE1 3.02Å; E378-H380 PolarHBondContact O-N 2.97Å; E378-H380 PolarHBondContact O-ND1 3.31Å; H380-L434 HydrophobicContact CB-CD1 4.24Å; H380-T436 WeakPolarHBondContact CD2-CG2 3.37Å; H380-T485 WeakPolarHBondContact O-CA 3.15Å; H380-F486 HydrophobicContact CB-CD1 4.19Å; H380-F486 HydrophobicContact CB-CD2 3.78Å; H380-F486 HydrophobicContact CB-CE1 3.8Å; H380-F486 HydrophobicContact CB-CE2 3.36Å; H380-F486 HydrophobicContact CB-CG 4.19Å; H380-F486 HydrophobicContact CB-CZ 3.37Å; H380-F486 AromaticContact CD2-CE2 3.99Å; H380-F486 AromaticContact CG-CE2 3.5Å; H380-F486 AromaticContact CG-CZ 3.89Å; H380-F486 PolarHBondContact N-O 3.49Å; H380-F486 AromaticContact ND1-CE2 3.98Å; H380-F486 PolarHBondContact O-N 2.97Å
381I92.3Very high88.2Confident0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-130.7115.1-178.7-48.8165.1000108.9F373 F374 Q379 I383 L434 I435 L466 V483 T485F373-I381 HydrophobicContact CB-CD1 3.44Å; F373-I381 VanDerWaalsContact CB-CD1 3.44Å; F373-I381 HydrophobicContact CD1-CD1 3.78Å; F373-I381 HydrophobicContact CD1-CG1 4.26Å; F373-I381 HydrophobicContact CD2-CD1 3.47Å; F373-I381 VanDerWaalsContact CD2-CD1 3.47Å; F373-I381 HydrophobicContact CE1-CD1 4.34Å; F373-I381 HydrophobicContact CE2-CD1 4.03Å; F373-I381 HydrophobicContact CE2-CG2 4.45Å; F373-I381 HydrophobicContact CG-CD1 3.3Å; F373-I381 HydrophobicContact CG-CG1 4.25Å; F373-I381 HydrophobicContact CZ-CD1 4.43Å; F373-I381 HydrophobicContact CZ-CG2 4.3Å; F374-I381 HydrophobicContact CD1-CD1 4.45Å; F374-I381 HydrophobicContact CD2-CD1 4.42Å; F374-I381 HydrophobicContact CE1-CD1 3.66Å; F374-I381 HydrophobicContact CE1-CG1 4.08Å; F374-I381 HydrophobicContact CE2-CD1 3.63Å; F374-I381 HydrophobicContact CZ-CD1 3.21Å; F374-I381 HydrophobicContact CZ-CG1 4.05Å; Q379-I381 HydrophobicContact CG-CG1 4.48Å; I381-I383 HydrophobicContact CG2-CD1 4.38Å; I381-I383 HydrophobicContact CG2-CG1 3.99Å; I381-L434 CarbonylContact O-C 3.56Å; I381-L434 WeakPolarHBondContact O-CA 3.26Å; I381-I435 PolarHBondContact N-O 2.8Å; I381-I435 PolarHBondContact O-N 3.13Å; I381-L466 HydrophobicContact CB-CD1 4.31Å; I381-L466 HydrophobicContact CD1-CD1 3.78Å; I381-L466 HydrophobicContact CG2-CD1 4.03Å; I381-V483 HydrophobicContact CG2-CG1 4.32Å; I381-T485 HydrophobicContact CG1-CG2 4.28Å; I381-T485 HydrophobicContact CG2-CG2 4.11Å
382L92.9Very high88.3Confident0 Ų044.4 Ų44.40%023%0.233CC..EExtended strand (participates in β ladder)trans-93.4125.2168.8179.266.7000109.3L316 L384 G433 L434 V483 D484 I522 F523L316-L382 HydrophobicContact CD1-CD1 4.23Å; L316-L382 HydrophobicContact CD2-CD1 4.1Å; L382-L384 HydrophobicContact CD1-CD2 3.98Å; L382-L384 HydrophobicContact CD2-CG 4.47Å; L382-L384 HydrophobicContact CG-CD2 4.31Å; L382-L384 HydrophobicContact CG-CG 4.31Å; L382-G433 CarbonylContact C-O 3.46Å; L382-G433 WeakPolarHBondContact CA-O 3.4Å; L382-L434 HydrophobicContact CB-CD1 4.13Å; L382-L434 HydrophobicContact CD1-CB 4.33Å; L382-V483 WeakPolarHBondContact O-CA 3.49Å; L382-D484 HydrophobicContact CB-CB 4.31Å; L382-D484 PolarHBondContact N-O 3Å; L382-D484 PolarHBondContact O-N 3.38Å; L382-I522 HydrophobicContact CD2-CD1 4.09Å; L382-I522 HydrophobicContact CD2-CG1 4.3Å; L382-F523 HydrophobicContact CD2-CB 3.5Å; L382-F523 HydrophobicContact CD2-CD2 4.31Å; L382-F523 HydrophobicContact CD2-CG 4.01Å
383I93.7Very high88.5Confident0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-118.5126.7168.9-57.2-177.5000108.8I381 W392 L393 A432 G433 L466 V468 I481 F482 V483I381-I383 HydrophobicContact CG2-CD1 4.38Å; I381-I383 HydrophobicContact CG2-CG1 3.99Å; I383-W392 HydrophobicContact CB-CH2 4.17Å; I383-W392 HydrophobicContact CB-CZ3 4.33Å; I383-W392 HydrophobicContact CG2-CH2 4Å; I383-W392 HydrophobicContact CG2-CZ3 3.7Å; I383-L393 HydrophobicContact CD1-CD1 4.01Å; I383-A432 CarbonylContact O-C 3.48Å; I383-A432 WeakPolarHBondContact O-CA 3.45Å; I383-G433 PolarHBondContact N-O 2.85Å; I383-G433 PolarHBondContact O-N 2.96Å; I383-L466 HydrophobicContact CD1-CB 3.91Å; I383-L466 HydrophobicContact CD1-CD1 3.66Å; I383-L466 HydrophobicContact CD1-CG 4.45Å; I383-V468 HydrophobicContact CG2-CG2 3.97Å; I383-I481 HydrophobicContact CG2-CG2 4.08Å; I383-F482 VanDerWaalsContact CA-O 3.31Å; I383-F482 WeakPolarHBondContact CA-O 3.47Å; I383-V483 HydrophobicContact CG1-CG2 4.42Å
384L93.5Very high88.6Confident2 Ų242.9 Ų42.91%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-115.3131.6168.5-50.3174.7000109.2L382 I430 A431 A432 I481 F482 I522 F557 Y608L382-L384 HydrophobicContact CD1-CD2 3.98Å; L382-L384 HydrophobicContact CD2-CG 4.47Å; L382-L384 HydrophobicContact CG-CD2 4.31Å; L382-L384 HydrophobicContact CG-CG 4.31Å; L384-I430 HydrophobicContact CB-CG2 3.89Å; L384-A431 CarbonylContact C-O 3.57Å; L384-A431 VanDerWaalsContact CA-O 3.27Å; L384-A431 WeakPolarHBondContact CA-O 3.46Å; L384-A432 HydrophobicContact CD2-CB 3.42Å; L384-A432 VanDerWaalsContact CD2-CB 3.42Å; L384-I481 CarbonylContact O-C 3.54Å; L384-I481 WeakPolarHBondContact O-CA 3.42Å; L384-F482 HydrophobicContact CB-CB 4.06Å; L384-F482 HydrophobicContact CB-CD2 4.45Å; L384-F482 HydrophobicContact CD1-CB 4.47Å; L384-F482 HydrophobicContact CG-CB 4.46Å; L384-F482 PolarHBondContact N-O 2.81Å; L384-F482 PolarHBondContact O-N 3.28Å; L384-I522 HydrophobicContact CD1-CD1 4.36Å; L384-F557 HydrophobicContact CD1-CE2 4.4Å; L384-F557 HydrophobicContact CD1-CZ 4.1Å; L384-Y608 HydrophobicContact CD1-CD1 4.31Å
385A92.5Very high88.8Confident0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-137.4130.8-177.700000111.7V388 W392 A431 V468 M479 T480A385-V388 HydrophobicContact CB-CG1 3.81Å; A385-V388 HydrophobicContact CB-CG2 4.23Å; A385-W392 HydrophobicContact CB-CE3 4.11Å; A385-W392 HydrophobicContact CB-CZ3 4.05Å; A385-A431 PolarHBondContact N-O 2.74Å; A385-A431 PolarHBondContact O-N 3.43Å; A385-V468 HydrophobicContact CB-CG1 4.26Å; A385-M479 HydrophobicContact CB-CE 3.91Å; A385-T480 WeakPolarHBondContact CA-O 3.22Å
386S90.5Very high89.2Confident9 Ų935 Ų356%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-93.4150.6174.467.80000111.5M479 T480S386-M479 WeakPolarHBondContact O-CG 3.28Å; S386-T480 PolarHBondContact N-O 3.48Å; S386-T480 PolarHBondContact OG-N 3.07Å; S386-T480 PolarHBondContact OG-O 2.97Å
387H84.3Confident89.3Confident61 Ų6132.4 Ų32.428%0.28217%0.17SC..SBendtrans59.445.7172.6-55.8115000113.8K428 N478H387-K428 PolarHBondContact CD2-NZ 3.34Å; H387-K428 WeakPolarHBondContact NE2-CD 3.4Å; H387-K428 PolarHBondContact NE2-NZ 3.01Å; H387-N478 PolarHBondContact ND1-O 3.11Å
388V87.2Confident89.3Confident29 Ų2929.6 Ų29.618%0.17615%0.149CC..  trans-115.2154.3178.7-66.70000111.6A385 W392 A431 V468 M479A385-V388 HydrophobicContact CB-CG1 3.81Å; A385-V388 HydrophobicContact CB-CG2 4.23Å; V388-W392 HydrophobicContact CB-CB 3.54Å; V388-W392 HydrophobicContact CB-CG 4.17Å; V388-W392 HydrophobicContact CG1-CB 4.24Å; V388-W392 HydrophobicContact CG2-CB 3.68Å; V388-W392 HydrophobicContact CG2-CD2 4.16Å; V388-W392 HydrophobicContact CG2-CG 3.73Å; V388-A431 HydrophobicContact CG2-CB 3.32Å; V388-V468 HydrophobicContact CG1-CG1 4.32Å; V388-M479 HydrophobicContact CG1-CE 3.29Å
389P85.4Confident88.9Confident53 Ų5326.2 Ų26.234%0.34414%0.137SC..  trans-72.8-179.6175.231.9-36.6000112.2W392 S469P389-W392 WeakPolarHBondContact O-CB 3.4Å; P389-S469 WeakPolarHBondContact CD-O 3.31Å
390E78.6Confident87.9Confident138 Ų13829.8 Ų29.865%0.64516%0.157SC*.THydrogen-bonded Turntrans-63.8-44.9177.1-69.4-178.2172.700111.8W392E390-W392 VanDerWaalsContact C-N 3.28Å; E390-W392 PolarHBondContact O-N 2.99Å; E390-W392 VanDerWaalsContact O-N 3.11Å
391D83.6Confident86.4Confident111 Ų11134 Ų3459%0.59418%0.176SC*.THydrogen-bonded Turntrans-88.656.9176.7-61.7-28.5000111.6H394D391-H394 PolarHBondContact O-CE1 3.1Å
392W91.5Very high84.8Confident4 Ų439.9 Ų39.92%0.01521%0.212CC..  trans-83.5-28.9-172.665.3-82.3000114.2I383 A385 V388 P389 E390 H394 V418 A431 V468 S469I383-W392 HydrophobicContact CB-CH2 4.17Å; I383-W392 HydrophobicContact CB-CZ3 4.33Å; I383-W392 HydrophobicContact CG2-CH2 4Å; I383-W392 HydrophobicContact CG2-CZ3 3.7Å; A385-W392 HydrophobicContact CB-CE3 4.11Å; A385-W392 HydrophobicContact CB-CZ3 4.05Å; V388-W392 HydrophobicContact CB-CB 3.54Å; V388-W392 HydrophobicContact CB-CG 4.17Å; V388-W392 HydrophobicContact CG1-CB 4.24Å; V388-W392 HydrophobicContact CG2-CB 3.68Å; V388-W392 HydrophobicContact CG2-CD2 4.16Å; V388-W392 HydrophobicContact CG2-CG 3.73Å; P389-W392 WeakPolarHBondContact O-CB 3.4Å; E390-W392 VanDerWaalsContact C-N 3.28Å; E390-W392 PolarHBondContact O-N 2.99Å; E390-W392 VanDerWaalsContact O-N 3.11Å; W392-H394 PolarHBondContact O-ND1 2.67Å; W392-V418 HydrophobicContact CZ2-CB 4.04Å; W392-V418 HydrophobicContact CZ2-CG1 3.7Å; W392-A431 HydrophobicContact CD2-CB 3.9Å; W392-A431 HydrophobicContact CG-CB 4.14Å; W392-A431 HydrophobicContact CZ2-CB 3.92Å; W392-V468 HydrophobicContact CE3-CG1 3.95Å; W392-V468 HydrophobicContact CE3-CG2 4.23Å; W392-V468 HydrophobicContact CZ3-CG1 4.42Å; W392-V468 HydrophobicContact CZ3-CG2 4Å; W392-V468 CarbonylContact O-C 3.59Å; W392-V468 WeakPolarHBondContact O-CA 3.37Å; W392-S469 PolarHBondContact O-N 3.42Å
393L94Very high83.2Confident2 Ų241.4 Ų41.41%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-109.7134.1-171.8-168.263.9000111.5I383 I413 V418 I435 L466 V468I383-L393 HydrophobicContact CD1-CD1 4.01Å; L393-I413 HydrophobicContact CB-CB 4.35Å; L393-I413 HydrophobicContact CD2-CD1 3.78Å; L393-I413 HydrophobicContact CG-CB 4.39Å; L393-I413 HydrophobicContact CG-CD1 3.86Å; L393-I413 HydrophobicContact CG-CG1 4.33Å; L393-I413 WeakPolarHBondContact O-CB 3.41Å; L393-I413 PolarHBondContact O-N 2.98Å; L393-V418 HydrophobicContact CB-CG1 4.3Å; L393-V418 HydrophobicContact CD2-CG1 3.83Å; L393-I435 HydrophobicContact CD2-CD1 4.01Å; L393-I435 HydrophobicContact CD2-CG1 3.98Å; L393-L466 HydrophobicContact CD1-CB 4.37Å; L393-V468 HydrophobicContact CD1-CG2 4.01Å
394H93.3Very high81.8Confident4 Ų449.7 Ų49.72%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-135.7146.2-177.3-52.573.9000111D391 W392 F410 V411 L466 V467D391-H394 PolarHBondContact O-CE1 3.1Å; W392-H394 PolarHBondContact O-ND1 2.67Å; H394-F410 HydrophobicContact CB-CD2 4.26Å; H394-F410 HydrophobicContact CB-CE1 3.91Å; H394-F410 HydrophobicContact CB-CE2 3.58Å; H394-F410 HydrophobicContact CB-CZ 3.38Å; H394-F410 AromaticContact CD2-CE1 3.16Å; H394-F410 WeakPolarHBondContact CD2-CE1 3.18Å; H394-F410 AromaticContact CD2-CZ 3.44Å; H394-F410 VanDerWaalsContact CD2-CZ 3.44Å; H394-F410 WeakPolarHBondContact CD2-CZ 3.4Å; H394-F410 AromaticContact CG-CE1 3.56Å; H394-F410 AromaticContact CG-CZ 3.28Å; H394-F410 AromaticContact ND1-CZ 3.83Å; H394-F410 AromaticContact NE2-CE1 3.73Å; H394-V411 CarbonylContact C-O 3.52Å; H394-V411 VanDerWaalsContact CA-O 3.31Å; H394-V411 WeakPolarHBondContact CA-O 3.42Å; H394-L466 WeakPolarHBondContact O-CA 3.42Å; H394-V467 HydrophobicContact CB-CB 4.34Å; H394-V467 PolarHBondContact N-O 3.04Å; H394-V467 PolarHBondContact O-N 3.32Å
395L92.6Very high80.9Confident1 Ų156.5 Ų56.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-88.9126.5168.118067.9000109.7I397 F410 V411 I413 L440 L443 F446 L464 L466L395-I397 HydrophobicContact CD2-CD1 3.97Å; L395-I397 HydrophobicContact CD2-CG1 4Å; L395-I397 HydrophobicContact CG-CD1 4.49Å; L395-I397 HydrophobicContact CG-CG1 3.99Å; L395-F410 WeakPolarHBondContact O-CA 3.47Å; L395-V411 HydrophobicContact CB-CB 4.4Å; L395-V411 PolarHBondContact N-O 3.49Å; L395-V411 PolarHBondContact O-N 3.42Å; L395-I413 HydrophobicContact CB-CG1 4.44Å; L395-L440 HydrophobicContact CD1-CD1 3.89Å; L395-L440 HydrophobicContact CD1-CD2 4.35Å; L395-L440 HydrophobicContact CD2-CD2 4.35Å; L395-L443 HydrophobicContact CD2-CD1 4.22Å; L395-F446 HydrophobicContact CD2-CE2 3.73Å; L395-L464 HydrophobicContact CD1-CB 4.38Å; L395-L464 HydrophobicContact CD1-CD2 4.4Å; L395-L466 HydrophobicContact CD1-CD2 4.39Å
396C90.9Very high80.4Confident0 Ų059.9 Ų59.90%031%0.312CS..EExtended strand (participates in β ladder)trans-112120.3173.7167.60000109.1C407 Y409 F410 Y465 V467C396-C407 HydrophobicContact CB-CB 3.99Å; C396-C407 WeakPolarHBondContact CB-SG 3.49Å; C396-C407 VanDerWaalsContact SG-CA 3.53Å; C396-C407 WeakPolarHBondContact SG-CB 3.46Å; C396-C407 CovalentContact SG-SG 2.01Å; C396-C407 PolarHBondContact SG-SG 3.36Å; C396-Y409 WeakPolarHBondContact CA-O 3.45Å; C396-F410 HydrophobicContact CB-CD2 4.41Å; C396-Y465 PolarHBondContact N-O 3.5Å; C396-Y465 PolarHBondContact O-N 2.98Å; C396-V467 HydrophobicContact CB-CG2 3.6Å
397I87.5Confident80.1Confident0 Ų060.4 Ų60.40%032%0.316CS..EExtended strand (participates in β ladder)trans-109.4128.4179.9-50.2177000108.1L395 D408 Y409 F446 L449 L462 L464L395-I397 HydrophobicContact CD2-CD1 3.97Å; L395-I397 HydrophobicContact CD2-CG1 4Å; L395-I397 HydrophobicContact CG-CD1 4.49Å; L395-I397 HydrophobicContact CG-CG1 3.99Å; I397-D408 WeakPolarHBondContact O-CB 3.31Å; I397-D408 PolarHBondContact O-N 3.12Å; I397-Y409 HydrophobicContact CB-CD2 4.19Å; I397-Y409 HydrophobicContact CG2-CD2 4.37Å; I397-Y409 PolarHBondContact N-O 3.19Å; I397-Y409 PolarHBondContact O-N 2.87Å; I397-Y409 VanDerWaalsContact O-N 3.08Å; I397-F446 HydrophobicContact CD1-CE2 4.46Å; I397-L449 HydrophobicContact CD1-CD2 4.48Å; I397-L449 HydrophobicContact CG2-CD2 4.34Å; I397-L462 HydrophobicContact CG2-CD2 3.51Å; I397-L464 HydrophobicContact CB-CD2 4.45Å; I397-L464 HydrophobicContact CD1-CD2 4.46Å; I397-L464 HydrophobicContact CG1-CD2 3.91Å; I397-L464 HydrophobicContact CG2-CD2 4.16Å
398K84.7Confident80Confident30 Ų3059.9 Ų59.913%0.1332%0.315CS..EExtended strand (participates in β ladder)trans-115.9120.8172.5-164.8163.1-175.91550109.2N400 S403 K405 D408 K463 Y465K398-N400 WeakPolarHBondContact CE-O 3.28Å; K398-S403 PolarHBondContact NZ-O 2.98Å; K398-K405 PolarHBondContact NZ-O 3.39Å; K398-K405 VanDerWaalsContact NZ-O 3.09Å; K398-D408 WeakPolarHBondContact CA-OD2 2.98Å; K398-K463 PolarHBondContact N-O 3.21Å; K398-K463 PolarHBondContact O-N 3.42Å; K398-Y465 HydrophobicContact CB-CE2 4.09Å
399T77.3Confident79.8Confident55 Ų5562.1 Ų62.134%0.33732%0.321SS..SBendtrans-94.9-21.918058.20000111.9D408 Y409 L462T399-D408 PolarHBondContact N-OD2 3.31Å; T399-D408 PolarHBondContact OG1-OD2 3.42Å; T399-Y409 HydrophobicContact CG2-CD2 4.47Å; T399-Y409 HydrophobicContact CG2-CE2 3.95Å; T399-L462 HydrophobicContact CG2-CD2 3.72Å
400N68.4Low79.8Confident103 Ų10361.9 Ų61.955%0.55132%0.315SS*.  trans-141.7129.7-176.6-132.7-20000112.6K398 T402K398-N400 WeakPolarHBondContact CE-O 3.28Å; N400-T402 VanDerWaalsContact C-N 3.25Å; N400-T402 PolarHBondContact O-N 3.26Å
401H60.2Low80.2Confident113 Ų11355.8 Ų55.852%0.52329%0.287SS..THydrogen-bonded Turntrans-68.1-22.7-173.8-93.8-66.7000114.6K463H401-K463 VanDerWaalsContact CE1-CD 3.42Å; H401-K463 WeakPolarHBondContact CE1-CD 3.26Å; H401-K463 PolarHBondContact CE1-NZ 2.86Å; H401-K463 VanDerWaalsContact NE2-CD 3.31Å; H401-K463 WeakPolarHBondContact NE2-CD 3.35Å; H401-K463 WeakPolarHBondContact NE2-CE 3.34Å; H401-K463 PolarHBondContact NE2-NZ 3.43Å
402T57.4Low80.4Confident123 Ų12351.9 Ų51.976%0.75527%0.267SS*.THydrogen-bonded Turntrans-88.1-8.9-170.152.20000114.2N400 N404N400-T402 VanDerWaalsContact C-N 3.25Å; N400-T402 PolarHBondContact O-N 3.26Å; T402-N404 PolarHBondContact O-N 2.96Å
403S59Low80.3Confident31 Ų3152 Ų5222%0.21727%0.268CS..  trans-75.5128177.383.80000110.3K398 K405 D408K398-S403 PolarHBondContact NZ-O 2.98Å; S403-K405 PolarHBondContact O-N 2.78Å; S403-D408 PolarHBondContact OG-OD1 3.41Å
404N65.9Low79.9Confident175 Ų17553.3 Ų53.394%0.93628%0.277SS*.  trans-672.9169.6-93.91.7000112.8T402T402-N404 PolarHBondContact O-N 2.96Å
405K73.7Confident79.4Confident144 Ų14457.4 Ų57.463%0.62631%0.306SS*.SBendtrans-76.7140175.9-64.9-176.7178.8179.80109.5K398 S403 C407K398-K405 PolarHBondContact NZ-O 3.39Å; K398-K405 VanDerWaalsContact NZ-O 3.09Å; S403-K405 PolarHBondContact O-N 2.78Å; K405-C407 VanDerWaalsContact C-N 3.28Å; K405-C407 PolarHBondContact O-N 3.01Å
406H82.3Confident78.8Confident71 Ų7160 Ų6033%0.32932%0.324SS..SBendtrans-62.3-39.1175.2-71.1-80.8000111.4W346 D348 K369W346-H406 VanDerWaalsContact CB-CE1 3.48Å; W346-H406 WeakPolarHBondContact CB-CE1 3.33Å; W346-H406 AromaticContact CD1-CD2 3.99Å; W346-H406 HydrophobicContact CD2-CB 4.01Å; W346-H406 AromaticContact CD2-CD2 3.81Å; W346-H406 AromaticContact CD2-CG 3.67Å; W346-H406 AromaticContact CD2-ND1 3.98Å; W346-H406 HydrophobicContact CE3-CB 3.75Å; W346-H406 AromaticContact CE3-CG 3.73Å; W346-H406 AromaticContact CE3-ND1 3.88Å; W346-H406 AromaticContact CG-CD2 3.73Å; W346-H406 AromaticContact CG-CE1 3.88Å; W346-H406 AromaticContact CG-CG 3.97Å; W346-H406 AromaticContact CG-NE2 3.7Å; W346-H406 HydrophobicContact CH2-CB 4.04Å; W346-H406 HydrophobicContact CZ2-CB 4.26Å; W346-H406 HydrophobicContact CZ3-CB 3.78Å; D348-H406 IonicContact OD1-ND1 3.46Å; D348-H406 PolarHBondContact OD1-ND1 2.87Å; D348-H406 IonicContact OD2-ND1 3.7Å; K369-H406 PolarHBondContact NZ-O 3.43Å
407C84.5Confident78.6Confident20 Ų2061.3 Ų61.314%0.13533%0.33CS..  trans-144.7141.8-179.6-560000110.4C396 K405C396-C407 HydrophobicContact CB-CB 3.99Å; C396-C407 WeakPolarHBondContact CB-SG 3.49Å; C396-C407 VanDerWaalsContact SG-CA 3.53Å; C396-C407 WeakPolarHBondContact SG-CB 3.46Å; C396-C407 CovalentContact SG-SG 2.01Å; C396-C407 PolarHBondContact SG-SG 3.36Å; K405-C407 VanDerWaalsContact C-N 3.28Å; K405-C407 PolarHBondContact O-N 3.01Å
408D82.5Confident78.7Confident51 Ų5162.3 Ų62.327%0.27334%0.336SS..SBendtrans-84.7-38.8170.5-61-45.7000110.2I397 K398 T399 S403I397-D408 WeakPolarHBondContact O-CB 3.31Å; I397-D408 PolarHBondContact O-N 3.12Å; K398-D408 WeakPolarHBondContact CA-OD2 2.98Å; T399-D408 PolarHBondContact N-OD2 3.31Å; T399-D408 PolarHBondContact OG1-OD2 3.42Å; S403-D408 PolarHBondContact OG-OD1 3.41Å
409Y83.3Confident79Confident75 Ų7561.3 Ų61.329%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-124.2139.1168.6-54-86.3000110.4C396 I397 T399 M445 L449C396-Y409 WeakPolarHBondContact CA-O 3.45Å; I397-Y409 HydrophobicContact CB-CD2 4.19Å; I397-Y409 HydrophobicContact CG2-CD2 4.37Å; I397-Y409 PolarHBondContact N-O 3.19Å; I397-Y409 PolarHBondContact O-N 2.87Å; I397-Y409 VanDerWaalsContact O-N 3.08Å; T399-Y409 HydrophobicContact CG2-CD2 4.47Å; T399-Y409 HydrophobicContact CG2-CE2 3.95Å; Y409-M445 HydrophobicContact CD1-CE 3.56Å; Y409-M445 HydrophobicContact CE1-CE 4.29Å; Y409-M445 HydrophobicContact CG-CE 3.9Å; Y409-L449 HydrophobicContact CD1-CD1 4.49Å; Y409-L449 HydrophobicContact CD2-CD1 4.21Å; Y409-L449 HydrophobicContact CE1-CD1 4.37Å; Y409-L449 HydrophobicContact CE2-CD1 4.1Å; Y409-L449 HydrophobicContact CE2-CD2 4.44Å; Y409-L449 HydrophobicContact CG-CD1 4.4Å
410F85.1Confident79.6Confident49 Ų4959.8 Ų59.822%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-129.8111.9178.5-169.7-105000108.2I339 W346 L367 H394 L395 C396 V467I339-F410 HydrophobicContact CD1-CD1 4.36Å; I339-F410 HydrophobicContact CD1-CE1 3.81Å; W346-F410 HydrophobicContact CH2-CD2 4.31Å; W346-F410 HydrophobicContact CH2-CE2 4.02Å; L367-F410 HydrophobicContact CD2-CZ 4.31Å; H394-F410 HydrophobicContact CB-CD2 4.26Å; H394-F410 HydrophobicContact CB-CE1 3.91Å; H394-F410 HydrophobicContact CB-CE2 3.58Å; H394-F410 HydrophobicContact CB-CZ 3.38Å; H394-F410 AromaticContact CD2-CE1 3.16Å; H394-F410 WeakPolarHBondContact CD2-CE1 3.18Å; H394-F410 AromaticContact CD2-CZ 3.44Å; H394-F410 VanDerWaalsContact CD2-CZ 3.44Å; H394-F410 WeakPolarHBondContact CD2-CZ 3.4Å; H394-F410 AromaticContact CG-CE1 3.56Å; H394-F410 AromaticContact CG-CZ 3.28Å; H394-F410 AromaticContact ND1-CZ 3.83Å; H394-F410 AromaticContact NE2-CE1 3.73Å; L395-F410 WeakPolarHBondContact O-CA 3.47Å; C396-F410 HydrophobicContact CB-CD2 4.41Å; F410-V467 HydrophobicContact CE2-CB 3.75Å; F410-V467 HydrophobicContact CE2-CG1 3.82Å; F410-V467 HydrophobicContact CE2-CG2 3.96Å; F410-V467 HydrophobicContact CZ-CB 4.39Å; F410-V467 HydrophobicContact CZ-CG1 4.2Å
411V87.4Confident80.7Confident10 Ų1055 Ų556%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-125.3122.8-169.2-1740000108.2H394 L395 M445H394-V411 CarbonylContact C-O 3.52Å; H394-V411 VanDerWaalsContact CA-O 3.31Å; H394-V411 WeakPolarHBondContact CA-O 3.42Å; L395-V411 HydrophobicContact CB-CB 4.4Å; L395-V411 PolarHBondContact N-O 3.49Å; L395-V411 PolarHBondContact O-N 3.42Å; V411-M445 HydrophobicContact CG1-CG 4.16Å; V411-M445 HydrophobicContact CG2-CB 4.31Å; V411-M445 HydrophobicContact CG2-CE 3.83Å; V411-M445 HydrophobicContact CG2-CG 3.81Å
412P87.9Confident82.1Confident28 Ų2849.7 Ų49.718%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-64.4139.8174.627.4-32.8000110.4F333F333-P412 HydrophobicContact CE1-CG 3.92Å; F333-P412 HydrophobicContact CZ-CG 3.95Å
413I89.3Confident83.6Confident7 Ų744.4 Ų44.44%0.03624%0.239CC..PPolyproline II helixtrans-80.2128.7173.1-68.3-164.2000108.2L393 L395 F417 V418 I435 L440 L466L393-I413 HydrophobicContact CB-CB 4.35Å; L393-I413 HydrophobicContact CD2-CD1 3.78Å; L393-I413 HydrophobicContact CG-CB 4.39Å; L393-I413 HydrophobicContact CG-CD1 3.86Å; L393-I413 HydrophobicContact CG-CG1 4.33Å; L393-I413 WeakPolarHBondContact O-CB 3.41Å; L393-I413 PolarHBondContact O-N 2.98Å; L395-I413 HydrophobicContact CB-CG1 4.44Å; I413-F417 HydrophobicContact CG2-CB 3.75Å; I413-F417 HydrophobicContact CG2-CD2 3.99Å; I413-F417 HydrophobicContact CG2-CG 4.36Å; I413-V418 HydrophobicContact CG2-CG1 4.18Å; I413-I435 HydrophobicContact CD1-CD1 4.3Å; I413-I435 HydrophobicContact CG2-CD1 4.49Å; I413-L440 HydrophobicContact CD1-CD2 3.87Å; I413-L466 HydrophobicContact CD1-CD2 3.79Å
414P85.7Confident84.8Confident30 Ų3044 Ų4420%0.19524%0.236CC..PPolyproline II helixtrans-59.7150.1-179.3-22.832.2000112.8S416 F417 L443P414-S416 PolarHBondContact O-N 2.97Å; P414-F417 PolarHBondContact O-N 3.06Å; P414-L443 HydrophobicContact CG-CD2 3.62Å
415S81Confident85.5Confident90 Ų9039.8 Ų39.863%0.62921%0.213SC*.THydrogen-bonded Turntrans-60.5-15.8174.759.60000113.7F417S415-F417 VanDerWaalsContact C-N 3.27Å; S415-F417 PolarHBondContact O-N 3.29Å
416S80.4Confident85.9Confident54 Ų5436.1 Ų36.138%0.37820%0.202SC..THydrogen-bonded Turntrans-69.4-21.9172.658.50000113.4L317 P414L317-S416 WeakPolarHBondContact CD1-O 3.37Å; P414-S416 PolarHBondContact O-N 2.97Å
417F86.1Confident85.6Confident29 Ų2936 Ų3613%0.12722%0.22CC..SBendtrans-100.8-8.7-177.5-62.9-11000113.8I413 P414 S415 I435 M439 L443I413-F417 HydrophobicContact CG2-CB 3.75Å; I413-F417 HydrophobicContact CG2-CD2 3.99Å; I413-F417 HydrophobicContact CG2-CG 4.36Å; P414-F417 PolarHBondContact O-N 3.06Å; S415-F417 VanDerWaalsContact C-N 3.27Å; S415-F417 PolarHBondContact O-N 3.29Å; F417-I435 HydrophobicContact CB-CD1 4.4Å; F417-M439 HydrophobicContact CB-CE 3.7Å; F417-M439 HydrophobicContact CD1-CE 3.69Å; F417-M439 HydrophobicContact CD2-CB 4.43Å; F417-M439 HydrophobicContact CD2-CE 4.3Å; F417-M439 HydrophobicContact CE1-CE 4.42Å; F417-M439 HydrophobicContact CE2-CB 4.26Å; F417-M439 WeakPolarHBondContact CE2-O 3.41Å; F417-M439 HydrophobicContact CG-CE 3.64Å; F417-M439 HydrophobicContact CZ-CB 4.45Å; F417-L443 HydrophobicContact CE2-CD2 3.94Å; F417-L443 HydrophobicContact CE2-CG 4.35Å
418V90.1Very high85.6Confident20 Ų2040.2 Ų40.212%0.12124%0.236CC..EExtended strand (participates in β ladder)trans-123.6158.8-179.8-64.50000109.8W392 L393 I413 A432W392-V418 HydrophobicContact CZ2-CB 4.04Å; W392-V418 HydrophobicContact CZ2-CG1 3.7Å; L393-V418 HydrophobicContact CB-CG1 4.3Å; L393-V418 HydrophobicContact CD2-CG1 3.83Å; I413-V418 HydrophobicContact CG2-CG1 4.18Å; V418-A432 CarbonylContact C-O 3.21Å; V418-A432 WeakPolarHBondContact CA-O 3.27Å
419T91Very high85.9Confident10 Ų1039.3 Ų39.36%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-142.1172.9176.7-168.30000111.1R314 L316 L421 A431 A432R314-T419 WeakPolarHBondContact O-CB 3.35Å; R314-T419 PolarHBondContact O-OG1 3.48Å; L316-T419 HydrophobicContact CG-CG2 3.98Å; T419-L421 HydrophobicContact CG2-CD2 4.25Å; T419-L421 HydrophobicContact CG2-CG 4.35Å; T419-A431 WeakPolarHBondContact O-CA 3.5Å; T419-A432 HydrophobicContact CG2-CB 4.21Å; T419-A432 PolarHBondContact N-O 2.84Å; T419-A432 PolarHBondContact O-N 3.15Å
420L91.3Very high86.3Confident23 Ų2336.1 Ų36.112%0.1222%0.222CC..EExtended strand (participates in β ladder)trans-113.5134.4172.2-62.3173.4000108.9Y266 W268 A431Y266-L420 HydrophobicContact CE1-CD1 3.7Å; Y266-L420 HydrophobicContact CE2-CD1 4.03Å; Y266-L420 WeakPolarHBondContact OH-CD1 3.22Å; W268-L420 HydrophobicContact CH2-CB 4.11Å; W268-L420 HydrophobicContact CZ2-CB 4.26Å; W268-L420 VanDerWaalsContact CZ2-O 3.3Å; W268-L420 WeakPolarHBondContact CZ2-O 3.23Å; L420-A431 HydrophobicContact CD2-CB 3.87Å
421L91.3Very high86.6Confident1 Ų133.8 Ų33.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-118.5156.2177.6-61.5176.5000110.1L316 T419 S429 I430 A432 M560 F571 Y608L316-L421 HydrophobicContact CD1-CD1 3.84Å; T419-L421 HydrophobicContact CG2-CD2 4.25Å; T419-L421 HydrophobicContact CG2-CG 4.35Å; L421-S429 CarbonylContact O-C 3.55Å; L421-S429 VanDerWaalsContact O-CA 3.25Å; L421-S429 WeakPolarHBondContact O-CA 3.41Å; L421-I430 PolarHBondContact N-O 2.93Å; L421-I430 PolarHBondContact O-N 3.38Å; L421-A432 HydrophobicContact CD1-CB 3.64Å; L421-A432 HydrophobicContact CG-CB 4.05Å; L421-M560 HydrophobicContact CB-CE 3.93Å; L421-M560 HydrophobicContact CD1-CE 3.67Å; L421-M560 HydrophobicContact CG-CE 4.38Å; L421-F571 HydrophobicContact CD2-CE2 4.28Å; L421-F571 HydrophobicContact CD2-CZ 4.33Å; L421-Y608 HydrophobicContact CD1-CE1 3.9Å; L421-Y608 HydrophobicContact CD1-CE2 4.42Å
422P89.8Confident87Confident2 Ų233.3 Ų33.31%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-63.4139.7172.223.6-30.9000111.2W268 P424 M560 F571 Y573W268-P422 HydrophobicContact CB-CB 4.17Å; W268-P422 HydrophobicContact CB-CG 4.37Å; W268-P422 HydrophobicContact CD2-CB 3.81Å; W268-P422 HydrophobicContact CD2-CG 4.11Å; W268-P422 VanDerWaalsContact CE3-CA 3.49Å; W268-P422 HydrophobicContact CE3-CB 3.55Å; W268-P422 HydrophobicContact CE3-CG 4.33Å; W268-P422 HydrophobicContact CG-CB 4.11Å; W268-P422 HydrophobicContact CG-CG 4.15Å; W268-P422 HydrophobicContact CZ3-CB 4.18Å; P422-P424 WeakPolarHBondContact O-CD 3.26Å; P422-M560 HydrophobicContact CG-SD 4.39Å; P422-F571 HydrophobicContact CG-CE1 4.36Å; P422-F571 HydrophobicContact CG-CZ 4.41Å; P422-Y573 HydrophobicContact CB-CD1 3.84Å; P422-Y573 HydrophobicContact CB-CD2 4.13Å; P422-Y573 HydrophobicContact CB-CE1 3.47Å; P422-Y573 VanDerWaalsContact CB-CE1 3.47Å; P422-Y573 HydrophobicContact CB-CE2 3.85Å; P422-Y573 HydrophobicContact CB-CG 4.12Å; P422-Y573 VanDerWaalsContact CB-CZ 3.5Å; P422-Y573 HydrophobicContact CG-CD1 3.4Å; P422-Y573 HydrophobicContact CG-CD2 3.68Å; P422-Y573 HydrophobicContact CG-CE1 3.63Å; P422-Y573 HydrophobicContact CG-CE2 3.95Å; P422-Y573 HydrophobicContact CG-CG 3.38Å
423N88.1Confident87.2Confident12 Ų1232 Ų326%0.06420%0.2CC..  trans-96.3105.9168.1-166.7-35.8000109.4L425 T426 G427 K428 I430N423-L425 PolarHBondContact O-N 3.02Å; N423-L425 WeakPolarHBondContact OD1-CB 3.46Å; N423-L425 PolarHBondContact OD1-N 3.28Å; N423-T426 VanDerWaalsContact CB-OG1 3.29Å; N423-T426 WeakPolarHBondContact CB-OG1 3.3Å; N423-T426 PolarHBondContact ND2-OG1 3.4Å; N423-T426 PolarHBondContact OD1-N 3Å; N423-G427 WeakPolarHBondContact O-CA 3.05Å; N423-G427 PolarHBondContact O-N 3.35Å; N423-K428 WeakPolarHBondContact CA-O 3.2Å; N423-K428 WeakPolarHBondContact CB-O 3.29Å; N423-K428 PolarHBondContact N-O 2.82Å; N423-I430 HydrophobicContact CB-CD1 3.87Å; N423-I430 HydrophobicContact CB-CG1 3.48Å; N423-I430 VanDerWaalsContact CB-CG1 3.48Å; N423-I430 WeakPolarHBondContact ND2-CG1 3.37Å
424P83.4Confident87.3Confident24 Ų2431.7 Ų31.716%0.15620%0.199CC..THydrogen-bonded Turntrans-68.4-23.4-178-1023.3000113.3P422 M558 M560 Y573 P575P422-P424 WeakPolarHBondContact O-CD 3.26Å; P424-M558 HydrophobicContact CB-CB 4.29Å; P424-M558 HydrophobicContact CB-CE 4.47Å; P424-M558 HydrophobicContact CB-CG 4.12Å; P424-M558 HydrophobicContact CB-SD 3.76Å; P424-M560 HydrophobicContact CG-CB 3.87Å; P424-M560 HydrophobicContact CG-CG 4.45Å; P424-M560 HydrophobicContact CG-SD 4.24Å; P424-Y573 HydrophobicContact CB-CE2 4.42Å; P424-Y573 HydrophobicContact CG-CE2 4.28Å; P424-P575 HydrophobicContact CB-CB 3.78Å; P424-P575 HydrophobicContact CB-CG 4.15Å; P424-P575 HydrophobicContact CG-CB 4.5Å
425L81.8Confident87.6Confident86 Ų8630.3 Ų30.345%0.4519%0.19SC..THydrogen-bonded Turntrans-80.4-41.3-177.8-168.774.3000112N423 M558N423-L425 PolarHBondContact O-N 3.02Å; N423-L425 WeakPolarHBondContact OD1-CB 3.46Å; N423-L425 PolarHBondContact OD1-N 3.28Å; L425-M558 HydrophobicContact CB-CB 4.18Å; L425-M558 HydrophobicContact CD1-CB 4.29Å
426T81.2Confident88.1Confident66 Ų6626.4 Ų26.441%0.40516%0.162SC..THydrogen-bonded Turntrans-105.9-14.6-174.265.60000114.1N423 K428N423-T426 VanDerWaalsContact CB-OG1 3.29Å; N423-T426 WeakPolarHBondContact CB-OG1 3.3Å; N423-T426 PolarHBondContact ND2-OG1 3.4Å; N423-T426 PolarHBondContact OD1-N 3Å; T426-K428 PolarHBondContact O-N 3.29Å; T426-K428 PolarHBondContact OG1-N 2.9Å
427G76.7Confident88.5Confident68 Ų6825 Ų2570%0.70115%0.151SC*.SBendtrans71.42.4-172.100000114.6N423N423-G427 WeakPolarHBondContact O-CA 3.05Å; N423-G427 PolarHBondContact O-N 3.35Å
428K83.2Confident88.4Confident109 Ų10926.8 Ų26.847%0.47417%0.166SC..SBendtrans-90.7-163.4172.9-62.2-174.6-177.5175.40110.7H387 N423 T426H387-K428 PolarHBondContact CD2-NZ 3.34Å; H387-K428 WeakPolarHBondContact NE2-CD 3.4Å; H387-K428 PolarHBondContact NE2-NZ 3.01Å; N423-K428 WeakPolarHBondContact CA-O 3.2Å; N423-K428 WeakPolarHBondContact CB-O 3.29Å; N423-K428 PolarHBondContact N-O 2.82Å; T426-K428 PolarHBondContact O-N 3.29Å; T426-K428 PolarHBondContact OG1-N 2.9Å
429S89.1Confident88.3Confident32 Ų3225.9 Ų25.922%0.22416%0.161CC..EExtended strand (participates in β ladder)trans-95.8155.117154.70000112.6L421L421-S429 CarbonylContact O-C 3.55Å; L421-S429 VanDerWaalsContact O-CA 3.25Å; L421-S429 WeakPolarHBondContact O-CA 3.41Å
430I91.6Very high88.1Confident8 Ų825.4 Ų25.44%0.04116%0.158CC..EExtended strand (participates in β ladder)trans-116.1126.8165-56-176.1000106.2L384 L421 N423 F557L384-I430 HydrophobicContact CB-CG2 3.89Å; L421-I430 PolarHBondContact N-O 2.93Å; L421-I430 PolarHBondContact O-N 3.38Å; N423-I430 HydrophobicContact CB-CD1 3.87Å; N423-I430 HydrophobicContact CB-CG1 3.48Å; N423-I430 VanDerWaalsContact CB-CG1 3.48Å; N423-I430 WeakPolarHBondContact ND2-CG1 3.37Å; I430-F557 HydrophobicContact CD1-CE2 3.87Å
431A93.2Very high87.8Confident1 Ų129 Ų291%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-77.4139.7170.700000110.3L384 A385 V388 W392 T419 L420L384-A431 CarbonylContact C-O 3.57Å; L384-A431 VanDerWaalsContact CA-O 3.27Å; L384-A431 WeakPolarHBondContact CA-O 3.46Å; A385-A431 PolarHBondContact N-O 2.74Å; A385-A431 PolarHBondContact O-N 3.43Å; V388-A431 HydrophobicContact CG2-CB 3.32Å; W392-A431 HydrophobicContact CD2-CB 3.9Å; W392-A431 HydrophobicContact CG-CB 4.14Å; W392-A431 HydrophobicContact CZ2-CB 3.92Å; T419-A431 WeakPolarHBondContact O-CA 3.5Å; L420-A431 HydrophobicContact CD2-CB 3.87Å
432A94Very high87.3Confident0 Ų034.7 Ų34.70%020%0.199CC..EExtended strand (participates in β ladder)trans-136137.2-174.900000110.8L316 I383 L384 V418 T419 L421L316-A432 HydrophobicContact CD1-CB 3.89Å; L316-A432 HydrophobicContact CD2-CB 4.03Å; L316-A432 HydrophobicContact CG-CB 4.14Å; I383-A432 CarbonylContact O-C 3.48Å; I383-A432 WeakPolarHBondContact O-CA 3.45Å; L384-A432 HydrophobicContact CD2-CB 3.42Å; L384-A432 VanDerWaalsContact CD2-CB 3.42Å; V418-A432 CarbonylContact C-O 3.21Å; V418-A432 WeakPolarHBondContact CA-O 3.27Å; T419-A432 HydrophobicContact CG2-CB 4.21Å; T419-A432 PolarHBondContact N-O 2.84Å; T419-A432 PolarHBondContact O-N 3.15Å; L421-A432 HydrophobicContact CD1-CB 3.64Å; L421-A432 HydrophobicContact CG-CB 4.05Å
433G92.3Very high86.9Confident0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-141.9127.2172.300000110.4L382 I383L382-G433 CarbonylContact C-O 3.46Å; L382-G433 WeakPolarHBondContact CA-O 3.4Å; I383-G433 PolarHBondContact N-O 2.85Å; I383-G433 PolarHBondContact O-N 2.96Å
434L91.9Very high86.3Confident1 Ų140.2 Ų40.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-10799.6170.2178.363.8000107.4L316 T318 H380 I381 L382 F486 F523L316-L434 HydrophobicContact CD2-CB 3.68Å; L316-L434 VanDerWaalsContact CD2-N 3.35Å; T318-L434 HydrophobicContact CG2-CD2 3.64Å; H380-L434 HydrophobicContact CB-CD1 4.24Å; I381-L434 CarbonylContact O-C 3.56Å; I381-L434 WeakPolarHBondContact O-CA 3.26Å; L382-L434 HydrophobicContact CB-CD1 4.13Å; L382-L434 HydrophobicContact CD1-CB 4.33Å; L434-F486 HydrophobicContact CD1-CE1 4.04Å; L434-F486 HydrophobicContact CD1-CZ 3.93Å; L434-F523 HydrophobicContact CD2-CE1 4.36Å
435I92.2Very high85.8Confident0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-103.6134.4-168.7-50.5-57.6000110F374 I381 L393 I413 F417 L440 L466F374-I435 HydrophobicContact CZ-CG2 4.05Å; I381-I435 PolarHBondContact N-O 2.8Å; I381-I435 PolarHBondContact O-N 3.13Å; L393-I435 HydrophobicContact CD2-CD1 4.01Å; L393-I435 HydrophobicContact CD2-CG1 3.98Å; I413-I435 HydrophobicContact CD1-CD1 4.3Å; I413-I435 HydrophobicContact CG2-CD1 4.49Å; F417-I435 HydrophobicContact CB-CD1 4.4Å; I435-L440 HydrophobicContact CG2-CD1 3.91Å; I435-L440 HydrophobicContact CG2-CD2 3.84Å; I435-L440 HydrophobicContact CG2-CG 3.77Å; I435-L466 HydrophobicContact CB-CD1 4.26Å; I435-L466 HydrophobicContact CG1-CD1 4.27Å
436T90.5Very high85.3Confident8 Ų836.8 Ų36.85%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-123.9160.7173.7650000110.4H380 S438 M439 L440H380-T436 WeakPolarHBondContact CD2-CG2 3.37Å; T436-S438 VanDerWaalsContact C-N 3.29Å; T436-S438 PolarHBondContact O-N 2.73Å; T436-S438 PolarHBondContact OG1-OG 3.47Å; T436-S438 VanDerWaalsContact OG1-OG 3.12Å; T436-M439 PolarHBondContact O-N 3.37Å; T436-M439 VanDerWaalsContact OG1-CG 3.3Å; T436-M439 WeakPolarHBondContact OG1-CG 3.18Å; T436-M439 PolarHBondContact OG1-N 3.07Å; T436-L440 PolarHBondContact O-N 3.39Å
437L89Confident84.6Confident26 Ų2640 Ų4014%0.13621%0.214CC..Hα-helixtrans-61.6-39.2177.8-176.861.3000111.9F374 P377 M439 L440 Q441 L464F374-L437 HydrophobicContact CB-CB 4.3Å; F374-L437 HydrophobicContact CB-CD1 4.13Å; F374-L437 HydrophobicContact CB-CD2 4.4Å; F374-L437 HydrophobicContact CD1-CB 3.87Å; F374-L437 HydrophobicContact CD2-CD1 4.5Å; F374-L437 HydrophobicContact CE1-CB 4.42Å; F374-L437 HydrophobicContact CG-CB 4.11Å; F374-L437 HydrophobicContact CG-CD1 4.25Å; P377-L437 HydrophobicContact CB-CD2 3.87Å; L437-M439 VanDerWaalsContact C-N 3.29Å; L437-M439 PolarHBondContact O-N 3.22Å; L437-L440 PolarHBondContact O-N 3.18Å; L437-L440 VanDerWaalsContact O-N 3.17Å; L437-Q441 HydrophobicContact CD1-CG 4.35Å; L437-Q441 HydrophobicContact CG-CG 4.31Å; L437-Q441 WeakPolarHBondContact O-CG 3.41Å; L437-Q441 PolarHBondContact O-N 2.77Å; L437-L464 HydrophobicContact CD1-CD1 3.67Å
438S85.2Confident84.1Confident66 Ų6641.3 Ų41.346%0.46221%0.205SC..Hα-helixtrans-63.2-34.1-179.862.10000112.7T436T436-S438 VanDerWaalsContact C-N 3.29Å; T436-S438 PolarHBondContact O-N 2.73Å; T436-S438 PolarHBondContact OG1-OG 3.47Å; T436-S438 VanDerWaalsContact OG1-OG 3.12Å
439M87Confident83.2Confident1 Ų136.4 Ų36.41%0.00518%0.184CC..Hα-helixtrans-67-46.2173.3-69.5169.672.200111.2T320 F417 T436 L437 Q441 K442T320-M439 HydrophobicContact CG2-CG 3.87Å; F417-M439 HydrophobicContact CB-CE 3.7Å; F417-M439 HydrophobicContact CD1-CE 3.69Å; F417-M439 HydrophobicContact CD2-CB 4.43Å; F417-M439 HydrophobicContact CD2-CE 4.3Å; F417-M439 HydrophobicContact CE1-CE 4.42Å; F417-M439 HydrophobicContact CE2-CB 4.26Å; F417-M439 WeakPolarHBondContact CE2-O 3.41Å; F417-M439 HydrophobicContact CG-CE 3.64Å; F417-M439 HydrophobicContact CZ-CB 4.45Å; T436-M439 PolarHBondContact O-N 3.37Å; T436-M439 VanDerWaalsContact OG1-CG 3.3Å; T436-M439 WeakPolarHBondContact OG1-CG 3.18Å; T436-M439 PolarHBondContact OG1-N 3.07Å; L437-M439 VanDerWaalsContact C-N 3.29Å; L437-M439 PolarHBondContact O-N 3.22Å; M439-Q441 VanDerWaalsContact C-N 3.34Å; M439-Q441 PolarHBondContact O-N 2.74Å; M439-K442 PolarHBondContact O-N 2.87Å
440L87.4Confident81.7Confident0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-65.1-36.7-179.3-65.3176.9000112.5F374 L395 I413 I435 T436 L437 K442 L443 F446F374-L440 HydrophobicContact CD2-CD1 4.19Å; F374-L440 HydrophobicContact CE2-CD1 3.42Å; F374-L440 VanDerWaalsContact CE2-CD1 3.42Å; F374-L440 HydrophobicContact CZ-CD1 3.85Å; L395-L440 HydrophobicContact CD1-CD1 3.89Å; L395-L440 HydrophobicContact CD1-CD2 4.35Å; L395-L440 HydrophobicContact CD2-CD2 4.35Å; I413-L440 HydrophobicContact CD1-CD2 3.87Å; I435-L440 HydrophobicContact CG2-CD1 3.91Å; I435-L440 HydrophobicContact CG2-CD2 3.84Å; I435-L440 HydrophobicContact CG2-CG 3.77Å; T436-L440 PolarHBondContact O-N 3.39Å; L437-L440 PolarHBondContact O-N 3.18Å; L437-L440 VanDerWaalsContact O-N 3.17Å; L440-K442 PolarHBondContact O-N 3.44Å; L440-L443 HydrophobicContact CD2-CD1 4.04Å; L440-L443 VanDerWaalsContact O-CB 3.29Å; L440-L443 WeakPolarHBondContact O-CB 3.25Å; L440-L443 WeakPolarHBondContact O-CG 3.34Å; L440-L443 PolarHBondContact O-N 3.15Å; L440-F446 HydrophobicContact CB-CE2 4.19Å; L440-F446 WeakPolarHBondContact O-CD2 3.21Å
441Q84.4Confident79.8Confident99 Ų9942.7 Ų42.746%0.46322%0.218SC..Hα-helixtrans-62.5-22178.5-76.9174.9-22.500113.5L437 M439 L443L437-Q441 HydrophobicContact CD1-CG 4.35Å; L437-Q441 HydrophobicContact CG-CG 4.31Å; L437-Q441 WeakPolarHBondContact O-CG 3.41Å; L437-Q441 PolarHBondContact O-N 2.77Å; M439-Q441 VanDerWaalsContact C-N 3.34Å; M439-Q441 PolarHBondContact O-N 2.74Å; Q441-L443 VanDerWaalsContact C-N 3.29Å
442K81.8Confident77.7Confident119 Ų11948.8 Ų48.852%0.51725%0.25SS..THydrogen-bonded Turntrans-77.1-13.5175-66-168.9-177.1-174.30113.7T320 M439 L440 H444T320-K442 VanDerWaalsContact CB-NZ 3.31Å; T320-K442 HydrophobicContact CG2-CD 3.98Å; T320-K442 PolarHBondContact OG1-NZ 3.15Å; M439-K442 PolarHBondContact O-N 2.87Å; L440-K442 PolarHBondContact O-N 3.44Å; K442-H444 PolarHBondContact O-N 3.2Å
443L81Confident75.7Confident13 Ų1351 Ų517%0.06826%0.262CS..SBendtrans-63.7132.1175.9-63.2172.5000109.5L395 P414 F417 L440 Q441 M445 F446L395-L443 HydrophobicContact CD2-CD1 4.22Å; P414-L443 HydrophobicContact CG-CD2 3.62Å; F417-L443 HydrophobicContact CE2-CD2 3.94Å; F417-L443 HydrophobicContact CE2-CG 4.35Å; L440-L443 HydrophobicContact CD2-CD1 4.04Å; L440-L443 VanDerWaalsContact O-CB 3.29Å; L440-L443 WeakPolarHBondContact O-CB 3.25Å; L440-L443 WeakPolarHBondContact O-CG 3.34Å; L440-L443 PolarHBondContact O-N 3.15Å; Q441-L443 VanDerWaalsContact C-N 3.29Å; L443-M445 PolarHBondContact O-N 3.04Å; L443-F446 PolarHBondContact O-N 3.47Å
444H74.8Confident73.5Confident118 Ų11856.1 Ų56.155%0.54629%0.293SS..Hα-helixtrans-48.9-32.1179.5-83.2-152.8000113.7E330 K442 F446 H447 N448E330-H444 IonicContact OE2-CD2 3.71Å; E330-H444 IonicContact OE2-CE1 3.42Å; E330-H444 PolarHBondContact OE2-CE1 2.76Å; E330-H444 IonicContact OE2-ND1 3.96Å; E330-H444 IonicContact OE2-NE2 3.31Å; E330-H444 PolarHBondContact OE2-NE2 3.03Å; K442-H444 PolarHBondContact O-N 3.2Å; H444-F446 VanDerWaalsContact C-N 3.31Å; H444-F446 PolarHBondContact O-N 3.01Å; H444-H447 WeakPolarHBondContact O-CB 3.36Å; H444-H447 PolarHBondContact O-N 2.66Å; H444-H447 VanDerWaalsContact O-N 3.14Å; H444-N448 PolarHBondContact O-N 3.1Å; H444-N448 VanDerWaalsContact O-N 3.14Å
445M73.2Confident71.2Confident22 Ų2262.9 Ų62.911%0.10833%0.329CS..Hα-helixtrans-57.9-36.3175.6-89.3-71.2-6800114.1L335 Y409 V411 L443 H447 N448 L449L335-M445 HydrophobicContact CD1-CE 4.32Å; L335-M445 HydrophobicContact CD1-SD 3.48Å; L335-M445 WeakPolarHBondContact CD1-SD 2.92Å; Y409-M445 HydrophobicContact CD1-CE 3.56Å; Y409-M445 HydrophobicContact CE1-CE 4.29Å; Y409-M445 HydrophobicContact CG-CE 3.9Å; V411-M445 HydrophobicContact CG1-CG 4.16Å; V411-M445 HydrophobicContact CG2-CB 4.31Å; V411-M445 HydrophobicContact CG2-CE 3.83Å; V411-M445 HydrophobicContact CG2-CG 3.81Å; L443-M445 PolarHBondContact O-N 3.04Å; M445-H447 VanDerWaalsContact C-N 3.35Å; M445-N448 PolarHBondContact O-N 2.72Å; M445-L449 HydrophobicContact CE-CD1 3.79Å; M445-L449 WeakPolarHBondContact O-CB 3.32Å; M445-L449 PolarHBondContact O-N 2.92Å
446F71.4Confident68.5Low15 Ų1571.4 Ų71.47%0.06637%0.369CS..Hα-helixtrans-70.4-33.3176.5-93.4-83.4000112.2L395 I397 L440 L443 H444 N448 L449 S450 L464L395-F446 HydrophobicContact CD2-CE2 3.73Å; I397-F446 HydrophobicContact CD1-CE2 4.46Å; L440-F446 HydrophobicContact CB-CE2 4.19Å; L440-F446 WeakPolarHBondContact O-CD2 3.21Å; L443-F446 PolarHBondContact O-N 3.47Å; H444-F446 VanDerWaalsContact C-N 3.31Å; H444-F446 PolarHBondContact O-N 3.01Å; F446-N448 VanDerWaalsContact C-N 3.29Å; F446-N448 PolarHBondContact O-N 3.47Å; F446-L449 PolarHBondContact O-N 2.86Å; F446-S450 VanDerWaalsContact O-CB 3.31Å; F446-S450 WeakPolarHBondContact O-CB 3.46Å; F446-S450 PolarHBondContact O-N 3.29Å; F446-S450 PolarHBondContact O-OG 2.91Å; F446-L464 HydrophobicContact CZ-CD1 4.02Å; F446-L464 HydrophobicContact CZ-CD2 3.79Å
447H67.8Low66.1Low135 Ų13578.1 Ų78.163%0.62541%0.405SS*.Hα-helixtrans-64.2-36.8172.6-121-62.9000111.7H444 M445 S450 L451H444-H447 WeakPolarHBondContact O-CB 3.36Å; H444-H447 PolarHBondContact O-N 2.66Å; H444-H447 VanDerWaalsContact O-N 3.14Å; M445-H447 VanDerWaalsContact C-N 3.35Å; H447-S450 PolarHBondContact O-OG 3.45Å; H447-L451 PolarHBondContact O-N 3.08Å
448N64.2Low64.3Low94 Ų9478.5 Ų78.550%0.50341%0.41SS..Hα-helixtrans-76.1-38.6175.4-71.6-20.7000112.7H444 M445 F446 L451 L452H444-N448 PolarHBondContact O-N 3.1Å; H444-N448 VanDerWaalsContact O-N 3.14Å; M445-N448 PolarHBondContact O-N 2.72Å; F446-N448 VanDerWaalsContact C-N 3.29Å; F446-N448 PolarHBondContact O-N 3.47Å; N448-L451 WeakPolarHBondContact O-CB 3.29Å; N448-L451 PolarHBondContact O-N 3.12Å; N448-L452 PolarHBondContact O-N 3.37Å
449L64.9Low62.6Low7 Ų780.5 Ų80.54%0.03741%0.413CS..Hα-helixtrans-66.1-39.8175.7-112.193.2000111.6I397 Y409 M445 F446 L451 L452 L453 L462I397-L449 HydrophobicContact CD1-CD2 4.48Å; I397-L449 HydrophobicContact CG2-CD2 4.34Å; Y409-L449 HydrophobicContact CD1-CD1 4.49Å; Y409-L449 HydrophobicContact CD2-CD1 4.21Å; Y409-L449 HydrophobicContact CE1-CD1 4.37Å; Y409-L449 HydrophobicContact CE2-CD1 4.1Å; Y409-L449 HydrophobicContact CE2-CD2 4.44Å; Y409-L449 HydrophobicContact CG-CD1 4.4Å; M445-L449 HydrophobicContact CE-CD1 3.79Å; M445-L449 WeakPolarHBondContact O-CB 3.32Å; M445-L449 PolarHBondContact O-N 2.92Å; F446-L449 PolarHBondContact O-N 2.86Å; L449-L451 VanDerWaalsContact C-N 3.28Å; L449-L451 PolarHBondContact O-N 3.24Å; L449-L452 CarbonylContact O-C 3.59Å; L449-L452 WeakPolarHBondContact O-CA 3.31Å; L449-L452 WeakPolarHBondContact O-CB 3.39Å; L449-L452 PolarHBondContact O-N 3.36Å; L449-L453 HydrophobicContact CB-CD1 4.29Å; L449-L453 HydrophobicContact CD2-CD1 4.02Å; L449-L453 HydrophobicContact CG-CD1 4.42Å; L449-L453 WeakPolarHBondContact O-CB 3.39Å; L449-L453 WeakPolarHBondContact O-CD1 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.12Å; L449-L453 PolarHBondContact O-N 3.09Å; L449-L462 HydrophobicContact CD2-CD1 4.49Å; L449-L462 HydrophobicContact CD2-CD2 3.92Å
450S57.9Low61.1Low52 Ų5288.1 Ų88.136%0.36445%0.454SS..Hα-helixtrans-63-36178.665.80000111.9F446 H447 L453 T454F446-S450 VanDerWaalsContact O-CB 3.31Å; F446-S450 WeakPolarHBondContact O-CB 3.46Å; F446-S450 PolarHBondContact O-N 3.29Å; F446-S450 PolarHBondContact O-OG 2.91Å; H447-S450 PolarHBondContact O-OG 3.45Å; S450-L453 PolarHBondContact O-N 2.87Å; S450-T454 WeakPolarHBondContact O-CG2 3.29Å
451L51.6Low60Low119 Ų11993.3 Ų93.362%0.62348%0.481SS*.Hα-helixtrans-62.1-40.6169.8-95.8151.2000112.6H447 N448 L449 T454H447-L451 PolarHBondContact O-N 3.08Å; N448-L451 WeakPolarHBondContact O-CB 3.29Å; N448-L451 PolarHBondContact O-N 3.12Å; L449-L451 VanDerWaalsContact C-N 3.28Å; L449-L451 PolarHBondContact O-N 3.24Å; L451-T454 PolarHBondContact O-OG1 3.46Å
452L50.3Low59.6Low129 Ų12989.8 Ų89.868%0.67547%0.466SS*.Hα-helixtrans-73.2-25.6178.9-104.3132.8000114.1N448 L449N448-L452 PolarHBondContact O-N 3.37Å; L449-L452 CarbonylContact O-C 3.59Å; L449-L452 WeakPolarHBondContact O-CA 3.31Å; L449-L452 WeakPolarHBondContact O-CB 3.39Å; L449-L452 PolarHBondContact O-N 3.36Å
453L51.2Low59.8Low48 Ų4887.6 Ų87.625%0.25146%0.456SS..THydrogen-bonded Turntrans-98.313.6-175.6-68.5159.6000113.4L449 S450 N455 S458 L462L449-L453 HydrophobicContact CB-CD1 4.29Å; L449-L453 HydrophobicContact CD2-CD1 4.02Å; L449-L453 HydrophobicContact CG-CD1 4.42Å; L449-L453 WeakPolarHBondContact O-CB 3.39Å; L449-L453 WeakPolarHBondContact O-CD1 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.12Å; L449-L453 PolarHBondContact O-N 3.09Å; S450-L453 PolarHBondContact O-N 2.87Å; L453-N455 PolarHBondContact O-N 3.34Å; L453-N455 VanDerWaalsContact O-N 3.07Å; L453-S458 WeakPolarHBondContact CD2-OG 3.47Å; L453-L462 HydrophobicContact CD1-CD1 3.67Å
454T46.9Very low60.3Low107 Ų10787.6 Ų87.666%0.65646%0.456SS*.  trans-65.2-6.6179.445.40000114.9S450 L451 Q456S450-T454 WeakPolarHBondContact O-CG2 3.29Å; L451-T454 PolarHBondContact O-OG1 3.46Å; T454-Q456 PolarHBondContact O-N 3.39Å
455N42.9Very low61.1Low142 Ų14282.9 Ų82.976%0.75943%0.434SS*.SBendtrans-85.4105.3166.7-73.9-20.2000109.2L453L453-N455 PolarHBondContact O-N 3.34Å; L453-N455 VanDerWaalsContact O-N 3.07Å
456Q35.6Very low62.1Low180 Ų18081.9 Ų81.984%0.84143%0.429SS*.SBendtrans-10.8122.4173.2-73.6161.9-55.700115.3T454T454-Q456 PolarHBondContact O-N 3.39Å
457D40.4Very low63.2Low149 Ų14981.1 Ų81.180%0.79743%0.426SS*.SBendtrans112.917.7160.7-56.1-19.4000120
458S49.4Very low64.4Low34 Ų3474.7 Ų74.724%0.23840%0.396CS..  trans-135.538.2-162.859.70000120L453L453-S458 WeakPolarHBondContact CD2-OG 3.47Å
459M50.9Low65.7Low107 Ų10770.7 Ų70.753%0.52738%0.375SS..SBendtrans-87.1-33.8154.6-88-71.9-173.100112.4N461 L462M459-N461 PolarHBondContact O-N 3.41Å; M459-N461 VanDerWaalsContact O-N 3.14Å; M459-L462 HydrophobicContact CE-CD1 4.49Å; M459-L462 PolarHBondContact O-N 2.9Å; M459-L462 HydrophobicContact SD-CD1 3.59Å; M459-L462 VanDerWaalsContact SD-CD1 3.59Å
460D54.1Low66.7Low162 Ų16270.9 Ų70.987%0.86638%0.377SS*.THydrogen-bonded Turntrans-66.2-18.2-177.8-71-16.1000114.3
461N65.1Low67.6Low108 Ų10869.5 Ų69.558%0.57837%0.37SS*.THydrogen-bonded Turntrans-94.8-7.4179.8-75-29.9000114.2M459 K463M459-N461 PolarHBondContact O-N 3.41Å; M459-N461 VanDerWaalsContact O-N 3.14Å; N461-K463 PolarHBondContact O-N 3.43Å
462L77Confident68.7Low25 Ų2570 Ų7013%0.13137%0.372CS..PPolyproline II helixtrans-80.2117.8178.7-79162.7000110.2I397 T399 L449 L453 M459I397-L462 HydrophobicContact CG2-CD2 3.51Å; T399-L462 HydrophobicContact CG2-CD2 3.72Å; L449-L462 HydrophobicContact CD2-CD1 4.49Å; L449-L462 HydrophobicContact CD2-CD2 3.92Å; L453-L462 HydrophobicContact CD1-CD1 3.67Å; M459-L462 HydrophobicContact CE-CD1 4.49Å; M459-L462 PolarHBondContact O-N 2.9Å; M459-L462 HydrophobicContact SD-CD1 3.59Å; M459-L462 VanDerWaalsContact SD-CD1 3.59Å
463K86Confident69.6Low73 Ų7364.6 Ų64.632%0.31734%0.344SS..EExtended strand (participates in β ladder)trans-102.8119.3172.6-72.2-171.3178.1179.60110.5P372 K398 H401 N461 Y465P372-K463 HydrophobicContact CB-CB 4.02Å; P372-K463 HydrophobicContact CB-CD 4.12Å; P372-K463 HydrophobicContact CB-CG 4.16Å; P372-K463 HydrophobicContact CG-CD 4.14Å; K398-K463 PolarHBondContact N-O 3.21Å; K398-K463 PolarHBondContact O-N 3.42Å; H401-K463 VanDerWaalsContact CE1-CD 3.42Å; H401-K463 WeakPolarHBondContact CE1-CD 3.26Å; H401-K463 PolarHBondContact CE1-NZ 2.86Å; H401-K463 VanDerWaalsContact NE2-CD 3.31Å; H401-K463 WeakPolarHBondContact NE2-CD 3.35Å; H401-K463 WeakPolarHBondContact NE2-CE 3.34Å; H401-K463 PolarHBondContact NE2-NZ 3.43Å; N461-K463 PolarHBondContact O-N 3.43Å; K463-Y465 HydrophobicContact CB-CD2 4.42Å; K463-Y465 HydrophobicContact CB-CE2 3.53Å; K463-Y465 WeakPolarHBondContact O-CD2 3.47Å
464L90.5Very high70.3Confident14 Ų1465.7 Ų65.77%0.07335%0.354CS..EExtended strand (participates in β ladder)trans-95.2131.2179.2-56.6178.8000109.9P372 F373 F374 L395 I397 L437 F446P372-L464 CarbonylContact C-O 3.54Å; P372-L464 VanDerWaalsContact CA-O 3.29Å; P372-L464 WeakPolarHBondContact CA-O 3.43Å; F373-L464 PolarHBondContact N-O 3.1Å; F374-L464 HydrophobicContact CD2-CB 4.16Å; F374-L464 HydrophobicContact CD2-CD1 4Å; L395-L464 HydrophobicContact CD1-CB 4.38Å; L395-L464 HydrophobicContact CD1-CD2 4.4Å; I397-L464 HydrophobicContact CB-CD2 4.45Å; I397-L464 HydrophobicContact CD1-CD2 4.46Å; I397-L464 HydrophobicContact CG1-CD2 3.91Å; I397-L464 HydrophobicContact CG2-CD2 4.16Å; L437-L464 HydrophobicContact CD1-CD1 3.67Å; F446-L464 HydrophobicContact CZ-CD1 4.02Å; F446-L464 HydrophobicContact CZ-CD2 3.79Å
465Y92.5Very high71.5Confident19 Ų1968.1 Ų68.18%0.07536%0.356CS..EExtended strand (participates in β ladder)trans-128.1148.7177.7-60.8-96.9000109.4T350 K369 F370 G371 P372 C396 K398 K463T350-Y465 HydrophobicContact CG2-CE1 4.25Å; K369-Y465 HydrophobicContact CD-CD1 4.11Å; K369-Y465 HydrophobicContact CD-CG 4.1Å; K369-Y465 HydrophobicContact CG-CD1 4.01Å; K369-Y465 HydrophobicContact CG-CG 4.13Å; F370-Y465 CarbonylContact O-C 3.57Å; F370-Y465 VanDerWaalsContact O-CA 3.23Å; F370-Y465 WeakPolarHBondContact O-CA 3.35Å; F370-Y465 VanDerWaalsContact O-CB 3.26Å; F370-Y465 WeakPolarHBondContact O-CB 3.38Å; F370-Y465 WeakPolarHBondContact O-CD1 3.32Å; G371-Y465 VanDerWaalsContact C-CE1 3.49Å; P372-Y465 HydrophobicContact CB-CD1 4.48Å; P372-Y465 HydrophobicContact CB-CE1 3.9Å; P372-Y465 HydrophobicContact CB-CE2 4.32Å; P372-Y465 HydrophobicContact CG-CE1 4.32Å; C396-Y465 PolarHBondContact N-O 3.5Å; C396-Y465 PolarHBondContact O-N 2.98Å; K398-Y465 HydrophobicContact CB-CE2 4.09Å; K463-Y465 HydrophobicContact CB-CD2 4.42Å; K463-Y465 HydrophobicContact CB-CE2 3.53Å; K463-Y465 WeakPolarHBondContact O-CD2 3.47Å
466L94.1Very high72.6Confident0 Ų069 Ų690%035%0.348CS..EExtended strand (participates in β ladder)trans-103.6133.6170.5-65.8177.7000109.1F370 F373 I381 I383 L393 H394 L395 I413 I435F370-L466 PolarHBondContact N-O 3.35Å; F370-L466 PolarHBondContact O-N 3.46Å; F373-L466 HydrophobicContact CD2-CD1 4.38Å; F373-L466 HydrophobicContact CD2-CG 4.23Å; F373-L466 HydrophobicContact CE2-CB 4.27Å; F373-L466 HydrophobicContact CE2-CD1 4.36Å; F373-L466 HydrophobicContact CE2-CG 4.36Å; I381-L466 HydrophobicContact CB-CD1 4.31Å; I381-L466 HydrophobicContact CD1-CD1 3.78Å; I381-L466 HydrophobicContact CG2-CD1 4.03Å; I383-L466 HydrophobicContact CD1-CB 3.91Å; I383-L466 HydrophobicContact CD1-CD1 3.66Å; I383-L466 HydrophobicContact CD1-CG 4.45Å; L393-L466 HydrophobicContact CD1-CB 4.37Å; H394-L466 WeakPolarHBondContact O-CA 3.42Å; L395-L466 HydrophobicContact CD1-CD2 4.39Å; I413-L466 HydrophobicContact CD1-CD2 3.79Å; I435-L466 HydrophobicContact CB-CD1 4.26Å; I435-L466 HydrophobicContact CG1-CD1 4.27Å
467V93.8Very high74.6Confident0 Ų063.3 Ų63.30%032%0.324CS..EExtended strand (participates in β ladder)trans-120.1123.6-179-178.40000109.5W346 L367 V368 K369 H394 C396 F410W346-V467 HydrophobicContact CH2-CG1 4.43Å; W346-V467 HydrophobicContact CZ3-CG1 4.06Å; W346-V467 HydrophobicContact CZ3-CG2 4.19Å; L367-V467 HydrophobicContact CB-CG1 4.06Å; L367-V467 HydrophobicContact CD2-CG1 3.87Å; V368-V467 WeakPolarHBondContact O-CA 3.49Å; K369-V467 HydrophobicContact CB-CG2 4.02Å; K369-V467 HydrophobicContact CG-CG2 3.88Å; H394-V467 HydrophobicContact CB-CB 4.34Å; H394-V467 PolarHBondContact N-O 3.04Å; H394-V467 PolarHBondContact O-N 3.32Å; C396-V467 HydrophobicContact CB-CG2 3.6Å; F410-V467 HydrophobicContact CE2-CB 3.75Å; F410-V467 HydrophobicContact CE2-CG1 3.82Å; F410-V467 HydrophobicContact CE2-CG2 3.96Å; F410-V467 HydrophobicContact CZ-CB 4.39Å; F410-V467 HydrophobicContact CZ-CG1 4.2Å
468V94Very high76.7Confident0 Ų059.8 Ų59.80%031%0.305CS..EExtended strand (participates in β ladder)trans-95.8129.7174.8179.20000109.7L367 V368 F370 I383 A385 V388 W392 L393 M479 I481L367-V468 WeakPolarHBondContact CA-O 3.46Å; V368-V468 PolarHBondContact N-O 3.29Å; V368-V468 PolarHBondContact O-N 2.98Å; F370-V468 HydrophobicContact CD2-CG2 4.32Å; F370-V468 HydrophobicContact CE2-CB 4.46Å; F370-V468 HydrophobicContact CE2-CG2 3.97Å; I383-V468 HydrophobicContact CG2-CG2 3.97Å; A385-V468 HydrophobicContact CB-CG1 4.26Å; V388-V468 HydrophobicContact CG1-CG1 4.32Å; W392-V468 HydrophobicContact CE3-CG1 3.95Å; W392-V468 HydrophobicContact CE3-CG2 4.23Å; W392-V468 HydrophobicContact CZ3-CG1 4.42Å; W392-V468 HydrophobicContact CZ3-CG2 4Å; W392-V468 CarbonylContact O-C 3.59Å; W392-V468 WeakPolarHBondContact O-CA 3.37Å; L393-V468 HydrophobicContact CD1-CG2 4.01Å; V468-M479 HydrophobicContact CB-CE 4.45Å; V468-M479 HydrophobicContact CG1-CE 3.23Å; V468-I481 HydrophobicContact CB-CD1 4.11Å; V468-I481 HydrophobicContact CG1-CD1 4.05Å; V468-I481 HydrophobicContact CG2-CD1 4.47Å
469S91.6Very high78.6Confident10 Ų1058.2 Ų58.27%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-113.6141.3-179.9-175.60000111P389 W392P389-S469 WeakPolarHBondContact CD-O 3.31Å; W392-S469 PolarHBondContact O-N 3.42Å
470T85.6Confident80.4Confident11 Ų1154.4 Ų54.47%0.06728%0.277CS..  trans-105.6-9.3179.646.40000113.4V361 L366 M479V361-T470 HydrophobicContact CG1-CG2 4.26Å; V361-T470 WeakPolarHBondContact CG1-OG1 3.38Å; V361-T470 HydrophobicContact CG2-CG2 3.85Å; L366-T470 WeakPolarHBondContact CA-OG1 3.15Å; L366-T470 HydrophobicContact CB-CG2 4.47Å; L366-T470 WeakPolarHBondContact CB-OG1 3.33Å; L366-T470 PolarHBondContact N-OG1 2.95Å; L366-T470 PolarHBondContact O-N 3.39Å; L366-T470 PolarHBondContact O-OG1 3.47Å; T470-M479 HydrophobicContact CG2-CB 4.48Å; T470-M479 HydrophobicContact CG2-CE 3.73Å; T470-M479 HydrophobicContact CG2-CG 4.17Å; T470-M479 HydrophobicContact CG2-SD 3.2Å; T470-M479 WeakPolarHBondContact CG2-SD 3.49Å
471G76.7Confident82.2Confident22 Ų2246.7 Ų46.723%0.22724%0.236CC..  trans62.4-172.1-168.300000112.7G365G365-G471 WeakPolarHBondContact CA-O 3.09Å
472I74.4Confident83.4Confident129 Ų12942 Ų4266%0.66221%0.21SC*.  trans-75.4126176.1-61172.6000108Y363Y363-I472 WeakPolarHBondContact O-CG2 3.48Å
473N69.5Low84.1Confident17 Ų1740.9 Ų40.99%0.09120%0.204CC..  trans-119.3105.7-179.1-171.2-8.5000111.4V361 Y363 F475 D477V361-N473 HydrophobicContact CB-CB 4.31Å; V361-N473 HydrophobicContact CG1-CB 3.67Å; Y363-N473 WeakPolarHBondContact CA-O 3.36Å; Y363-N473 PolarHBondContact O-N 3.29Å; N473-F475 VanDerWaalsContact C-N 3.25Å; N473-F475 PolarHBondContact O-N 3.04Å; N473-F475 PolarHBondContact OD1-N 2.87Å; N473-D477 WeakPolarHBondContact ND2-CB 3.43Å; N473-D477 PolarHBondContact ND2-N 3.2Å
474P64.3Low84.3Confident70 Ų7037.6 Ų37.646%0.45519%0.19SC..THydrogen-bonded Turntrans-71.1-16.4179.925.5-29.7000114.2Y363Y363-P474 HydrophobicContact CE2-CB 4.25Å
475F72Confident84.3Confident158 Ų15837.6 Ų37.669%0.69319%0.191SC*.THydrogen-bonded Turntrans-109.13.3-169.1-61.4-66.7000115.2N473 D477N473-F475 VanDerWaalsContact C-N 3.25Å; N473-F475 PolarHBondContact O-N 3.04Å; N473-F475 PolarHBondContact OD1-N 2.87Å; F475-D477 PolarHBondContact O-N 3.41Å
476W66.8Low84.2Confident160 Ų16037 Ų3761%0.60619%0.189SC*.  trans55.837.4178.3-5474.6000113.3
477D78.1Confident83.9Confident61 Ų6140.3 Ų40.333%0.32621%0.206SC..PPolyproline II helixtrans-65.3149.5-178.9-67.9-34.4000111.7V361 N473 F475V361-D477 WeakPolarHBondContact CG2-O 3.4Å; V361-D477 PolarHBondContact N-O 3.22Å; N473-D477 WeakPolarHBondContact ND2-CB 3.43Å; N473-D477 PolarHBondContact ND2-N 3.2Å; F475-D477 PolarHBondContact O-N 3.41Å
478N85.1Confident83.3Confident76 Ų7645.7 Ų45.741%0.40623%0.229SC..EExtended strand (participates in β ladder)trans-76.2129.6171.8-72.6-5.2000110.5Y360 H387Y360-N478 WeakPolarHBondContact CD1-OD1 3.33Å; Y360-N478 WeakPolarHBondContact CE1-OD1 3.22Å; H387-N478 PolarHBondContact ND1-O 3.11Å
479M87.5Confident82.8Confident1 Ų147.4 Ų47.41%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-102.3132.4172.4-177.3-162.2-164.300109.5N358 F359 V361 A385 S386 V388 V468 T470 I481N358-M479 CarbonylContact C-O 3.55Å; N358-M479 WeakPolarHBondContact CA-O 3.13Å; F359-M479 HydrophobicContact CB-CB 4.48Å; F359-M479 PolarHBondContact N-O 3.2Å; F359-M479 PolarHBondContact O-N 3.4Å; V361-M479 HydrophobicContact CG2-CB 3.68Å; A385-M479 HydrophobicContact CB-CE 3.91Å; S386-M479 WeakPolarHBondContact O-CG 3.28Å; V388-M479 HydrophobicContact CG1-CE 3.29Å; V468-M479 HydrophobicContact CB-CE 4.45Å; V468-M479 HydrophobicContact CG1-CE 3.23Å; T470-M479 HydrophobicContact CG2-CB 4.48Å; T470-M479 HydrophobicContact CG2-CE 3.73Å; T470-M479 HydrophobicContact CG2-CG 4.17Å; T470-M479 HydrophobicContact CG2-SD 3.2Å; T470-M479 WeakPolarHBondContact CG2-SD 3.49Å; M479-I481 HydrophobicContact CE-CD1 3.56Å; M479-I481 HydrophobicContact CE-CG1 3.52Å; M479-I481 HydrophobicContact CG-CG1 4.16Å; M479-I481 HydrophobicContact SD-CD1 3.69Å; M479-I481 HydrophobicContact SD-CG1 3.74Å
480T89.4Confident82.3Confident27 Ų2752.1 Ų52.117%0.16627%0.272CS..EExtended strand (participates in β ladder)trans-108.7132.5168.1-48.80000109.3I356 M357 N358 A385 S386 F482I356-T480 HydrophobicContact CG2-CG2 3.89Å; M357-T480 CarbonylContact O-C 3.51Å; M357-T480 WeakPolarHBondContact O-CA 3.41Å; N358-T480 VanDerWaalsContact OD1-CG2 3.26Å; N358-T480 WeakPolarHBondContact OD1-CG2 3.12Å; N358-T480 PolarHBondContact OD1-OG1 2.78Å; A385-T480 WeakPolarHBondContact CA-O 3.22Å; S386-T480 PolarHBondContact N-O 3.48Å; S386-T480 PolarHBondContact OG-N 3.07Å; S386-T480 PolarHBondContact OG-O 2.97Å; T480-F482 HydrophobicContact CG2-CD2 3.96Å; T480-F482 HydrophobicContact CG2-CE2 3.29Å; T480-F482 HydrophobicContact CG2-CZ 3.98Å
481I91.4Very high82.1Confident0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-120.6128.6173.7-51.7-178.8000108.8M357 F359 V368 F370 I383 L384 V468 M479 V483M357-I481 PolarHBondContact N-O 2.84Å; M357-I481 PolarHBondContact O-N 3.27Å; F359-I481 HydrophobicContact CD2-CD1 3.94Å; F359-I481 HydrophobicContact CD2-CG1 4.1Å; F359-I481 HydrophobicContact CE2-CB 4.31Å; F359-I481 HydrophobicContact CE2-CD1 3.72Å; F359-I481 HydrophobicContact CE2-CG1 4.04Å; V368-I481 HydrophobicContact CB-CD1 4.14Å; V368-I481 HydrophobicContact CG2-CD1 4.06Å; F370-I481 HydrophobicContact CE2-CD1 4.04Å; F370-I481 HydrophobicContact CE2-CG2 4.01Å; F370-I481 HydrophobicContact CZ-CB 4.48Å; F370-I481 HydrophobicContact CZ-CD1 3.99Å; F370-I481 HydrophobicContact CZ-CG2 3.91Å; I383-I481 HydrophobicContact CG2-CG2 4.08Å; L384-I481 CarbonylContact O-C 3.54Å; L384-I481 WeakPolarHBondContact O-CA 3.42Å; V468-I481 HydrophobicContact CB-CD1 4.11Å; V468-I481 HydrophobicContact CG1-CD1 4.05Å; V468-I481 HydrophobicContact CG2-CD1 4.47Å; M479-I481 HydrophobicContact CE-CD1 3.56Å; M479-I481 HydrophobicContact CE-CG1 3.52Å; M479-I481 HydrophobicContact CG-CG1 4.16Å; M479-I481 HydrophobicContact SD-CD1 3.69Å; M479-I481 HydrophobicContact SD-CG1 3.74Å; I481-V483 HydrophobicContact CG2-CG2 3.93Å
482F90.4Very high82.6Confident9 Ų955.7 Ų55.74%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-107132166.8-65-109.9000108.2I356 I383 L384 T480 I522 F557I356-F482 HydrophobicContact CB-CD1 4.26Å; I356-F482 HydrophobicContact CB-CE1 4.02Å; I356-F482 HydrophobicContact CB-CZ 4.33Å; I356-F482 HydrophobicContact CD1-CD1 3.9Å; I356-F482 HydrophobicContact CD1-CE1 3.2Å; I356-F482 HydrophobicContact CD1-CZ 3.9Å; I356-F482 HydrophobicContact CG1-CD1 3.49Å; I356-F482 VanDerWaalsContact CG1-CD1 3.49Å; I356-F482 HydrophobicContact CG1-CE1 3.3Å; I356-F482 HydrophobicContact CG1-CG 4.39Å; I356-F482 HydrophobicContact CG1-CZ 4.06Å; I356-F482 HydrophobicContact CG2-CD1 4.09Å; I356-F482 HydrophobicContact CG2-CD2 4.36Å; I356-F482 HydrophobicContact CG2-CE1 3.6Å; I356-F482 HydrophobicContact CG2-CE2 3.89Å; I356-F482 HydrophobicContact CG2-CG 4.4Å; I356-F482 HydrophobicContact CG2-CZ 3.4Å; I383-F482 VanDerWaalsContact CA-O 3.31Å; I383-F482 WeakPolarHBondContact CA-O 3.47Å; L384-F482 HydrophobicContact CB-CB 4.06Å; L384-F482 HydrophobicContact CB-CD2 4.45Å; L384-F482 HydrophobicContact CD1-CB 4.47Å; L384-F482 HydrophobicContact CG-CB 4.46Å; L384-F482 PolarHBondContact N-O 2.81Å; L384-F482 PolarHBondContact O-N 3.28Å; T480-F482 HydrophobicContact CG2-CD2 3.96Å; T480-F482 HydrophobicContact CG2-CE2 3.29Å; T480-F482 HydrophobicContact CG2-CZ 3.98Å; F482-I522 HydrophobicContact CB-CD1 4.26Å; F482-I522 HydrophobicContact CD1-CD1 4.42Å; F482-F557 HydrophobicContact CD2-CD2 4.29Å; F482-F557 HydrophobicContact CE1-CB 3.79Å; F482-F557 AromaticContact CE1-CD2 3.94Å; F482-F557 HydrophobicContact CE1-CD2 3.94Å; F482-F557 AromaticContact CE1-CG 3.83Å; F482-F557 HydrophobicContact CE1-CG 3.83Å; F482-F557 HydrophobicContact CE2-CB 4.42Å; F482-F557 AromaticContact CE2-CD2 3.54Å; F482-F557 HydrophobicContact CE2-CD2 3.54Å; F482-F557 HydrophobicContact CE2-CE2 4.16Å; F482-F557 HydrophobicContact CE2-CG 4.23Å; F482-F557 HydrophobicContact CZ-CB 3.49Å; F482-F557 VanDerWaalsContact CZ-CB 3.49Å; F482-F557 AromaticContact CZ-CD2 3.42Å; F482-F557 HydrophobicContact CZ-CD2 3.42Å; F482-F557 VanDerWaalsContact CZ-CD2 3.42Å; F482-F557 HydrophobicContact CZ-CE2 4.35Å; F482-F557 AromaticContact CZ-CG 3.62Å; F482-F557 HydrophobicContact CZ-CG 3.62Å
483V91.5Very high83.2Confident2 Ų251 Ų511%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-125.2120.6171.7-1770000107.6N354 S355 M357 F370 F373 I381 L382 I383 I481 T485N354-V483 CarbonylContact C-O 3.55Å; N354-V483 WeakPolarHBondContact CA-O 3.31Å; N354-V483 PolarHBondContact N-O 3.29Å; N354-V483 VanDerWaalsContact N-O 3.12Å; S355-V483 PolarHBondContact N-O 3.28Å; S355-V483 PolarHBondContact O-N 3.27Å; M357-V483 HydrophobicContact CE-CG2 4.38Å; F370-V483 HydrophobicContact CD1-CG2 4.04Å; F370-V483 HydrophobicContact CD2-CG2 4.3Å; F370-V483 HydrophobicContact CE1-CG2 3.97Å; F370-V483 HydrophobicContact CE2-CG2 4.21Å; F370-V483 HydrophobicContact CG-CG2 4.21Å; F370-V483 HydrophobicContact CZ-CG2 4.02Å; F373-V483 HydrophobicContact CZ-CG1 4.32Å; I381-V483 HydrophobicContact CG2-CG1 4.32Å; L382-V483 WeakPolarHBondContact O-CA 3.49Å; I383-V483 HydrophobicContact CG1-CG2 4.42Å; I481-V483 HydrophobicContact CG2-CG2 3.93Å; V483-T485 HydrophobicContact CG1-CG2 4.39Å
484D90.4Very high84Confident3 Ų352.6 Ų52.62%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-125.1134.5175.1-17617.3000109.1N354 L382 I522N354-D484 PolarHBondContact OD1-OD1 3.29Å; L382-D484 HydrophobicContact CB-CB 4.31Å; L382-D484 PolarHBondContact N-O 3Å; L382-D484 PolarHBondContact O-N 3.38Å; D484-I522 HydrophobicContact CB-CD1 3.84Å; D484-I522 HydrophobicContact CB-CG1 3.59Å; D484-I522 WeakPolarHBondContact OD2-CG1 3.36Å; D484-I522 PolarHBondContact OD2-N 2.9Å; D484-I522 VanDerWaalsContact OD2-N 3.12Å
485T90.5Very high84.6Confident15 Ų1553.6 Ų53.69%0.09227%0.273CS..EExtended strand (participates in β ladder)trans-130.9136.1-174.254.80000110.2T353 N354 F373 H380 I381 V483T353-T485 VanDerWaalsContact CB-OG1 3.3Å; T353-T485 WeakPolarHBondContact CB-OG1 3.29Å; T353-T485 HydrophobicContact CG2-CG2 4.43Å; T353-T485 WeakPolarHBondContact CG2-OG1 3.37Å; N354-T485 PolarHBondContact OD1-N 3.14Å; N354-T485 PolarHBondContact OD1-O 3.28Å; N354-T485 PolarHBondContact OD1-OG1 3.01Å; F373-T485 HydrophobicContact CD1-CG2 4.38Å; F373-T485 HydrophobicContact CE1-CG2 3.81Å; H380-T485 WeakPolarHBondContact O-CA 3.15Å; I381-T485 HydrophobicContact CG1-CG2 4.28Å; I381-T485 HydrophobicContact CG2-CG2 4.11Å; V483-T485 HydrophobicContact CG1-CG2 4.39Å
486F90.9Very high84.8Confident7 Ų748.6 Ų48.63%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-149.8145.3178.457-86.4000111H380 L434 R492H380-F486 HydrophobicContact CB-CD1 4.19Å; H380-F486 HydrophobicContact CB-CD2 3.78Å; H380-F486 HydrophobicContact CB-CE1 3.8Å; H380-F486 HydrophobicContact CB-CE2 3.36Å; H380-F486 HydrophobicContact CB-CG 4.19Å; H380-F486 HydrophobicContact CB-CZ 3.37Å; H380-F486 AromaticContact CD2-CE2 3.99Å; H380-F486 AromaticContact CG-CE2 3.5Å; H380-F486 AromaticContact CG-CZ 3.89Å; H380-F486 PolarHBondContact N-O 3.49Å; H380-F486 AromaticContact ND1-CE2 3.98Å; H380-F486 PolarHBondContact O-N 2.97Å; L434-F486 HydrophobicContact CD1-CE1 4.04Å; L434-F486 HydrophobicContact CD1-CZ 3.93Å; F486-R492 HydrophobicContact CB-CG 4.21Å; F486-R492 HydrophobicContact CD1-CG 3.81Å; F486-R492 HydrophobicContact CD2-CB 4.18Å; F486-R492 HydrophobicContact CD2-CG 3.51Å; F486-R492 HydrophobicContact CE1-CG 3.96Å; F486-R492 HydrophobicContact CE2-CB 3.86Å; F486-R492 HydrophobicContact CE2-CG 3.66Å; F486-R492 HydrophobicContact CG-CG 3.57Å; F486-R492 HydrophobicContact CZ-CB 4.04Å; F486-R492 HydrophobicContact CZ-CG 3.87Å
487D87.2Confident85.1Confident68 Ų6841.1 Ų41.136%0.36423%0.226SC..SBendtrans-93-32.2-173-74-11000113N376 E378N376-D487 PolarHBondContact ND2-OD2 3.48Å; E378-D487 CarbonylContact C-O 3.59Å; E378-D487 WeakPolarHBondContact CB-O 3.45Å
488K82.5Confident84.4Confident113 Ų11340.6 Ų40.649%0.49123%0.225SC..  trans-109.8120.8-179.2-69.2178.5-176170.80110.9T490 E491K488-T490 PolarHBondContact O-N 2.88Å; K488-E491 HydrophobicContact CB-CG 3.97Å; K488-E491 PolarHBondContact O-N 3.13Å; K488-E491 VanDerWaalsContact O-N 3.14Å
489A82.2Confident83.1Confident36 Ų3640.3 Ų40.330%0.29822%0.219SC..G310 helixtrans-54.4-37175.100000112.5E491 R492 I493A489-E491 PolarHBondContact O-N 3.15Å; A489-R492 PolarHBondContact O-N 2.87Å; A489-R492 VanDerWaalsContact O-N 3.09Å; A489-I493 HydrophobicContact CB-CD1 4.23Å; A489-I493 WeakPolarHBondContact O-CA 3.12Å; A489-I493 WeakPolarHBondContact O-CB 3.27Å; A489-I493 PolarHBondContact O-N 2.89Å
490T81.2Confident81.3Confident110 Ų11048.1 Ų48.168%0.67525%0.25SC*.G310 helixtrans-65.7-16.5-178.153.80000114.6K488 R492K488-T490 PolarHBondContact O-N 2.88Å; T490-R492 VanDerWaalsContact C-N 3.3Å
491E83Confident79.3Confident92 Ų9251.6 Ų51.643%0.4328%0.275SS..G310 helixtrans-76.5-22.6175.5-66.8174-175.600112.1K488 A489 H494K488-E491 HydrophobicContact CB-CG 3.97Å; K488-E491 PolarHBondContact O-N 3.13Å; K488-E491 VanDerWaalsContact O-N 3.14Å; A489-E491 PolarHBondContact O-N 3.15Å; E491-H494 PolarHBondContact O-NE2 3.27Å
492R87.4Confident77.1Confident16 Ų1653.8 Ų53.86%0.0629%0.29CS..THydrogen-bonded Turntrans-119.3-33.4-172.1-62.7-77.4176.8-94.4-13.3112.9F486 A489 T490 H494 T520 F523 H524 R525F486-R492 HydrophobicContact CB-CG 4.21Å; F486-R492 HydrophobicContact CD1-CG 3.81Å; F486-R492 HydrophobicContact CD2-CB 4.18Å; F486-R492 HydrophobicContact CD2-CG 3.51Å; F486-R492 HydrophobicContact CE1-CG 3.96Å; F486-R492 HydrophobicContact CE2-CB 3.86Å; F486-R492 HydrophobicContact CE2-CG 3.66Å; F486-R492 HydrophobicContact CG-CG 3.57Å; F486-R492 HydrophobicContact CZ-CB 4.04Å; F486-R492 HydrophobicContact CZ-CG 3.87Å; A489-R492 PolarHBondContact O-N 2.87Å; A489-R492 VanDerWaalsContact O-N 3.09Å; T490-R492 VanDerWaalsContact C-N 3.3Å; R492-H494 PolarHBondContact O-CD2 3.1Å; R492-H494 VanDerWaalsContact O-CD2 3.23Å; R492-H494 PolarHBondContact O-NE2 2.93Å; R492-T520 PolarHBondContact NH1-O 3.34Å; R492-T520 PolarHBondContact NH2-O 2.88Å; R492-F523 WeakPolarHBondContact CD-O 3.35Å; R492-H524 CarbonylContact O-C 3.58Å; R492-H524 VanDerWaalsContact O-CA 3.32Å; R492-H524 WeakPolarHBondContact O-CA 3.48Å; R492-R525 PolarHBondContact O-N 2.92Å
493I86.2Confident74.9Confident29 Ų2956.9 Ų56.915%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-107.3106.5-176.6-54.1177.6000107.4T318 A489 R525 Y527T318-I493 HydrophobicContact CG2-CD1 3.55Å; T318-I493 HydrophobicContact CG2-CG1 4.39Å; A489-I493 HydrophobicContact CB-CD1 4.23Å; A489-I493 WeakPolarHBondContact O-CA 3.12Å; A489-I493 WeakPolarHBondContact O-CB 3.27Å; A489-I493 PolarHBondContact O-N 2.89Å; I493-R525 HydrophobicContact CG1-CB 4.4Å; I493-R525 HydrophobicContact CG2-CB 4.42Å; I493-R525 HydrophobicContact CG2-CG 4.39Å; I493-Y527 HydrophobicContact CG2-CD2 4.32Å; I493-Y527 HydrophobicContact CG2-CE2 3.47Å; I493-Y527 VanDerWaalsContact CG2-CE2 3.47Å
494H86.5Confident72.7Confident51 Ų5160.5 Ų60.524%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-97.4141.6-175-57-79.9000109.8E491 R492 D496 H524 R525 F526 Y527E491-H494 PolarHBondContact O-NE2 3.27Å; R492-H494 PolarHBondContact O-CD2 3.1Å; R492-H494 VanDerWaalsContact O-CD2 3.23Å; R492-H494 PolarHBondContact O-NE2 2.93Å; H494-D496 VanDerWaalsContact C-N 3.27Å; H494-D496 PolarHBondContact O-N 2.95Å; H494-H524 AromaticContact NE2-ND1 3.36Å; H494-H524 PolarHBondContact NE2-ND1 2.64Å; H494-R525 WeakPolarHBondContact CB-O 3.31Å; H494-R525 PolarHBondContact CD2-O 3.32Å; H494-R525 PolarHBondContact N-O 2.85Å; H494-F526 HydrophobicContact CB-CD1 3.42Å; H494-F526 VanDerWaalsContact CB-CD1 3.42Å; H494-F526 HydrophobicContact CB-CE1 3.51Å; H494-F526 HydrophobicContact CB-CG 4.18Å; H494-F526 HydrophobicContact CB-CZ 4.32Å; H494-F526 AromaticContact CD2-CE1 3.52Å; H494-F526 AromaticContact CD2-CE2 3.95Å; H494-F526 AromaticContact CD2-CZ 3.43Å; H494-F526 VanDerWaalsContact CD2-CZ 3.43Å; H494-F526 WeakPolarHBondContact CD2-CZ 3.41Å; H494-F526 AromaticContact CG-CD1 3.82Å; H494-F526 AromaticContact CG-CE1 3.36Å; H494-F526 AromaticContact CG-CZ 3.78Å; H494-Y527 WeakPolarHBondContact O-CD2 3.47Å; H494-Y527 PolarHBondContact O-N 3.32Å
495S77.3Confident70.7Confident91 Ų9161.3 Ų61.364%0.63634%0.338SS*.SBendtrans-60.2-37.818046.70000112.9Y527S495-Y527 WeakPolarHBondContact O-CB 3.41Å
496D74.6Confident68.7Low54 Ų5464.4 Ų64.429%0.28935%0.348SS..SBendtrans-161.1156.6-176.554.2-23.9000110.3H494 Y527 P529 N532 Y533H494-D496 VanDerWaalsContact C-N 3.27Å; H494-D496 PolarHBondContact O-N 2.95Å; D496-Y527 VanDerWaalsContact CA-O 3.32Å; D496-Y527 WeakPolarHBondContact CA-O 3.19Å; D496-P529 HydrophobicContact CB-CG 4.31Å; D496-N532 PolarHBondContact OD2-ND2 3.16Å; D496-Y533 HydrophobicContact CB-CE2 4.46Å
497L73Confident66.5Low3 Ų372.4 Ų72.42%0.01639%0.391CS..  trans-63.7139.4163.7-98.4122.6000108.9Y499 F526 L528 Y533 L544 I605 V619L497-Y499 PolarHBondContact O-N 3.06Å; L497-F526 HydrophobicContact CD1-CB 3.54Å; L497-F526 HydrophobicContact CD1-CG 4.04Å; L497-F526 HydrophobicContact CG-CB 3.83Å; L497-F526 HydrophobicContact CG-CD1 3.9Å; L497-F526 HydrophobicContact CG-CG 3.86Å; L497-L528 HydrophobicContact CD1-CD2 3.69Å; L497-Y533 VanDerWaalsContact C-OH 3.27Å; L497-Y533 WeakPolarHBondContact CB-OH 3.36Å; L497-Y533 PolarHBondContact O-OH 2.95Å; L497-L544 HydrophobicContact CD1-CD1 4.45Å; L497-L544 HydrophobicContact CD2-CD1 3.92Å; L497-L544 HydrophobicContact CD2-CD2 4.1Å; L497-L544 HydrophobicContact CD2-CG 4.35Å; L497-I605 HydrophobicContact CD1-CD1 3.73Å; L497-V619 HydrophobicContact CD2-CG2 3.45Å; L497-V619 VanDerWaalsContact CD2-CG2 3.45Å
498P63.6Low64.4Low49 Ų4971 Ų7132%0.31839%0.392SS..  trans-64108.517417.8-23.5000109.4T513P498-T513 HydrophobicContact CG-CG2 3.57Å
499Y59.5Low62.7Low70 Ų7074.7 Ų74.728%0.27541%0.411SS..  trans-128.2134.5177.2167.5-114.6000109.4L497 Y533 Y621L497-Y499 PolarHBondContact O-N 3.06Å; Y499-Y533 WeakPolarHBondContact CB-OH 3.47Å; Y499-Y533 HydrophobicContact CD1-CE1 4.48Å; Y499-Y533 HydrophobicContact CG-CE1 4.17Å; Y499-Y621 AromaticContact CD2-CE2 3.69Å; Y499-Y621 HydrophobicContact CD2-CE2 3.69Å; Y499-Y621 HydrophobicContact CE2-CD2 4.18Å; Y499-Y621 AromaticContact CE2-CE2 3.14Å; Y499-Y621 HydrophobicContact CE2-CE2 3.14Å; Y499-Y621 AromaticContact CE2-CZ 3.49Å; Y499-Y621 VanDerWaalsContact CE2-CZ 3.49Å; Y499-Y621 WeakPolarHBondContact CE2-OH 3.17Å; Y499-Y621 AromaticContact CZ-CE2 3.96Å; Y499-Y621 AromaticContact CZ-CZ 3.88Å
500Y49.6Very low61.6Low166 Ų16674.3 Ų74.365%0.65141%0.406SS*.  trans-97.6119.7171.7-97.2-89.8000109.5S502Y500-S502 PolarHBondContact O-N 3.16Å; Y500-S502 VanDerWaalsContact O-N 3.08Å
501S47Very low60.6Low99 Ų9971.7 Ų71.769%0.69239%0.392SS*.  trans-64.3-6.7176.158.20000114.2
502S45.7Very low60Low47 Ų4771 Ų7133%0.32939%0.39SS..SBendtrans-84.5137-178.960.10000112.7Y500 S504 S505Y500-S502 PolarHBondContact O-N 3.16Å; Y500-S502 VanDerWaalsContact O-N 3.08Å; S502-S504 PolarHBondContact O-N 2.89Å; S502-S504 PolarHBondContact OG-OG 3.41Å; S502-S505 PolarHBondContact O-N 2.82Å; S502-S505 VanDerWaalsContact O-N 3.11Å; S502-S505 PolarHBondContact O-OG 2.81Å; S502-S505 VanDerWaalsContact O-OG 3.1Å
503I43.2Very low59.8Low74 Ų7472 Ų7238%0.37940%0.399SS..G310 helixtrans-49.5-22.1177.7-63.7167.5000113.8S505 Y506 N719I503-S505 PolarHBondContact O-N 2.75Å; I503-S505 VanDerWaalsContact O-N 3.08Å; I503-Y506 PolarHBondContact O-N 2.82Å; I503-Y506 VanDerWaalsContact O-N 3.1Å; I503-N719 WeakPolarHBondContact CD1-OD1 3.2Å; I503-N719 WeakPolarHBondContact CG1-OD1 3.34Å
504S46.1Very low59.8Low78 Ų7875 Ų7555%0.54542%0.418SS..G310 helixtrans-56-22.6175.255.40000113.8S502 Y506 L507 G508S502-S504 PolarHBondContact O-N 2.89Å; S502-S504 PolarHBondContact OG-OG 3.41Å; S504-Y506 VanDerWaalsContact C-N 3.27Å; S504-Y506 PolarHBondContact O-N 3.44Å; S504-L507 PolarHBondContact O-N 3.37Å; S504-G508 WeakPolarHBondContact O-CA 3.32Å; S504-G508 PolarHBondContact O-N 2.86Å
505S47Very low59.9Low19 Ų1973.2 Ų73.213%0.13341%0.41CS..G310 helixtrans-69.1-17.1176.958.40000114.6S502 I503 L507S502-S505 PolarHBondContact O-N 2.82Å; S502-S505 VanDerWaalsContact O-N 3.11Å; S502-S505 PolarHBondContact O-OG 2.81Å; S502-S505 VanDerWaalsContact O-OG 3.1Å; I503-S505 PolarHBondContact O-N 2.75Å; I503-S505 VanDerWaalsContact O-N 3.08Å; S505-L507 VanDerWaalsContact C-N 3.31Å
506Y49.4Very low60.5Low80 Ų8071.2 Ų71.231%0.31439%0.392SS..G310 helixtrans-75.4-20.3172.3-80.7-85.6000113.2I503 S504 I540 L623I503-Y506 PolarHBondContact O-N 2.82Å; I503-Y506 VanDerWaalsContact O-N 3.1Å; S504-Y506 VanDerWaalsContact C-N 3.27Å; S504-Y506 PolarHBondContact O-N 3.44Å; Y506-I540 HydrophobicContact CE1-CD1 4.27Å; Y506-I540 WeakPolarHBondContact OH-CD1 3.12Å; Y506-L623 HydrophobicContact CD1-CG 4.5Å; Y506-L623 HydrophobicContact CE1-CD2 4.18Å; Y506-L623 HydrophobicContact CE1-CG 4.46Å
507L43.8Very low61Low176 Ų17669 Ų6992%0.92138%0.38SS*.THydrogen-bonded Turntrans-127.6-8.6-174.6-74.2166.7000113.8S504 S505S504-L507 PolarHBondContact O-N 3.37Å; S505-L507 VanDerWaalsContact C-N 3.31Å
508G43.8Very low61.5Low38 Ų3874.2 Ų74.239%0.39241%0.408SS..SBendtrans-126.3148-174.800000112.6S504 S510S504-G508 WeakPolarHBondContact O-CA 3.32Å; S504-G508 PolarHBondContact O-N 2.86Å; G508-S510 PolarHBondContact O-N 3.21Å; G508-S510 VanDerWaalsContact O-N 3.17Å
509E46.9Very low62.5Low190 Ų19078.6 Ų78.689%0.88843%0.428SS*.PPolyproline II helixtrans-56.3117.4179.7-70.1-177.215200110.8
510S58Low63.7Low28 Ų2877.1 Ų77.120%0.19643%0.426CS..PPolyproline II helixtrans-59.2147.6171.556.50000111.3G508 I512 S618 V619G508-S510 PolarHBondContact O-N 3.21Å; G508-S510 VanDerWaalsContact O-N 3.17Å; S510-I512 PolarHBondContact O-N 2.98Å; S510-I512 VanDerWaalsContact O-N 3.15Å; S510-S618 WeakPolarHBondContact OG-CB 3.12Å; S510-V619 WeakPolarHBondContact CB-O 3.37Å; S510-V619 PolarHBondContact OG-O 3.13Å
511S62Low65.5Low55 Ų5569.2 Ų69.239%0.38540%0.395SS..PPolyproline II helixtrans-51121.3174.3540000111
512I70.5Confident67.5Low77 Ų7765.2 Ų65.240%0.39537%0.366SS..PPolyproline II helixtrans-86.5116.2178.3-58.1173.1000107.8S510 T514 E616 V617S510-I512 PolarHBondContact O-N 2.98Å; S510-I512 VanDerWaalsContact O-N 3.15Å; I512-T514 HydrophobicContact CG2-CG2 4.45Å; I512-E616 HydrophobicContact CG2-CB 3.63Å; I512-E616 HydrophobicContact CG2-CG 3.62Å; I512-V617 CarbonylContact C-O 3.35Å; I512-V617 WeakPolarHBondContact CA-O 3.33Å
513T82.3Confident69.7Low38 Ų3863 Ų6323%0.23335%0.351CS..EExtended strand (participates in β ladder)trans-89.6123.1168.445.20000109.8P498 E616 V617P498-T513 HydrophobicContact CG-CG2 3.57Å; T513-E616 WeakPolarHBondContact O-CA 3.49Å; T513-V617 PolarHBondContact N-O 2.75Å; T513-V617 PolarHBondContact O-N 2.98Å; T513-V617 PolarHBondContact OG1-O 3.46Å
514T86.6Confident72.1Confident91 Ų9159.7 Ų59.756%0.55833%0.334SS*.EExtended strand (participates in β ladder)trans-97.6123.8178.852.80000110.5I512 Y615 E616I512-T514 HydrophobicContact CG2-CG2 4.45Å; T514-Y615 CarbonylContact C-O 3.5Å; T514-Y615 VanDerWaalsContact CA-O 3.28Å; T514-Y615 WeakPolarHBondContact CA-O 3.17Å; T514-E616 HydrophobicContact CG2-CG 3.82Å
515F89.1Confident74.2Confident14 Ų1456.2 Ų56.26%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-109.1124.4171.7-57.9-83.9000109.6H524 F526 L609 V614 Y615 V617F515-H524 AromaticContact CD1-CD2 3.88Å; F515-H524 AromaticContact CD1-CE1 3.62Å; F515-H524 AromaticContact CD1-ND1 3.9Å; F515-H524 AromaticContact CD1-NE2 3.59Å; F515-H524 AromaticContact CE1-CE1 3.76Å; F515-H524 AromaticContact CE1-CG 3.93Å; F515-H524 AromaticContact CE1-ND1 3.61Å; F515-F526 HydrophobicContact CE1-CZ 4.14Å; F515-F526 HydrophobicContact CZ-CE2 4.17Å; F515-F526 AromaticContact CZ-CZ 3.65Å; F515-F526 HydrophobicContact CZ-CZ 3.65Å; F515-L609 HydrophobicContact CB-CD1 3.62Å; F515-L609 HydrophobicContact CG-CD1 4Å; F515-V614 WeakPolarHBondContact O-CA 3.37Å; F515-V614 WeakPolarHBondContact O-CG1 3.45Å; F515-Y615 PolarHBondContact N-O 2.93Å; F515-Y615 PolarHBondContact O-N 3.05Å; F515-V617 HydrophobicContact CD2-CB 4.49Å; F515-V617 HydrophobicContact CD2-CG2 3.82Å; F515-V617 HydrophobicContact CE2-CB 4.01Å; F515-V617 HydrophobicContact CE2-CG2 3.69Å
516N89.6Confident76.2Confident50 Ų5055.7 Ų55.727%0.26730%0.304SS..  trans-113.595.6167.2178.3-8.3000106.4N518 I519 T520 V614N516-N518 PolarHBondContact O-N 2.83Å; N516-N518 PolarHBondContact OD1-N 3.25Å; N516-I519 WeakPolarHBondContact ND2-CD1 3.5Å; N516-I519 CarbonylContact O-C 3.56Å; N516-I519 WeakPolarHBondContact O-CA 3.33Å; N516-I519 PolarHBondContact O-N 2.93Å; N516-T520 VanDerWaalsContact C-OG1 3.26Å; N516-T520 PolarHBondContact N-OG1 3.02Å; N516-T520 PolarHBondContact O-N 2.9Å; N516-T520 PolarHBondContact O-OG1 3.04Å; N516-T520 VanDerWaalsContact O-OG1 3.07Å; N516-V614 HydrophobicContact CB-CG2 4.34Å
517P85Confident77.9Confident6 Ų654.2 Ų54.24%0.03930%0.298CS..THydrogen-bonded Turntrans-64.7-16.5-166.3-14.627.1000114.4I519 G521 I522 L609 P611 C613 Y615P517-I519 PolarHBondContact O-N 3.45Å; P517-G521 WeakPolarHBondContact CA-O 3.38Å; P517-G521 VanDerWaalsContact CB-O 3.24Å; P517-G521 WeakPolarHBondContact CB-O 3.44Å; P517-G521 CarbonylContact O-C 3.54Å; P517-G521 WeakPolarHBondContact O-CA 3.48Å; P517-G521 PolarHBondContact O-N 3.01Å; P517-G521 VanDerWaalsContact O-N 3.11Å; P517-I522 HydrophobicContact CB-CG2 4.2Å; P517-L609 HydrophobicContact CB-CB 4.16Å; P517-L609 HydrophobicContact CG-CB 3.59Å; P517-L609 HydrophobicContact CG-CD1 4.05Å; P517-L609 HydrophobicContact CG-CG 4.48Å; P517-P611 HydrophobicContact CB-CB 4.21Å; P517-C613 WeakPolarHBondContact CD-O 3.33Å; P517-Y615 HydrophobicContact CG-CD2 3.98Å; P517-Y615 HydrophobicContact CG-CE2 3.95Å
518N83.2Confident79.6Confident113 Ų11346.1 Ų46.160%0.60426%0.255SS*.THydrogen-bonded Turntrans-65.9-27.3168.9-72.6-37.8000113.1N516 P611N516-N518 PolarHBondContact O-N 2.83Å; N516-N518 PolarHBondContact OD1-N 3.25Å; N518-P611 VanDerWaalsContact CG-O 3.23Å; N518-P611 PolarHBondContact ND2-O 2.63Å; N518-P611 PolarHBondContact OD1-O 3.18Å
519I84.3Confident80.9Confident141 Ų14146 Ų4672%0.72325%0.248SC*.THydrogen-bonded Turntrans-109.3-51.1-178.3-55.7175.3000110.2N516 P517N516-I519 WeakPolarHBondContact ND2-CD1 3.5Å; N516-I519 CarbonylContact O-C 3.56Å; N516-I519 WeakPolarHBondContact O-CA 3.33Å; N516-I519 PolarHBondContact O-N 2.93Å; P517-I519 PolarHBondContact O-N 3.45Å
520T85.7Confident81.8Confident39 Ų3939.9 Ų39.924%0.23922%0.221CC..SBendtrans-67.1-73.4177.762.80000106.2R492 N516 H524R492-T520 PolarHBondContact NH1-O 3.34Å; R492-T520 PolarHBondContact NH2-O 2.88Å; N516-T520 VanDerWaalsContact C-OG1 3.26Å; N516-T520 PolarHBondContact N-OG1 3.02Å; N516-T520 PolarHBondContact O-N 2.9Å; N516-T520 PolarHBondContact O-OG1 3.04Å; N516-T520 VanDerWaalsContact O-OG1 3.07Å; T520-H524 PolarHBondContact OG1-NE2 3.25Å
521G87.2Confident82.1Confident1 Ų145.9 Ų45.91%0.0125%0.246CC..  trans149165.7-177.800000108.6P517 H524P517-G521 WeakPolarHBondContact CA-O 3.38Å; P517-G521 VanDerWaalsContact CB-O 3.24Å; P517-G521 WeakPolarHBondContact CB-O 3.44Å; P517-G521 CarbonylContact O-C 3.54Å; P517-G521 WeakPolarHBondContact O-CA 3.48Å; P517-G521 PolarHBondContact O-N 3.01Å; P517-G521 VanDerWaalsContact O-N 3.11Å; G521-H524 PolarHBondContact O-NE2 2.58Å
522I89.1Confident82.3Confident15 Ų1546.5 Ų46.58%0.07725%0.245CC..SBendtrans-81.3-24.5-174.960163.5000112.7L382 L384 F482 D484 P517 Y608 L609 P611L382-I522 HydrophobicContact CD2-CD1 4.09Å; L382-I522 HydrophobicContact CD2-CG1 4.3Å; L384-I522 HydrophobicContact CD1-CD1 4.36Å; F482-I522 HydrophobicContact CB-CD1 4.26Å; F482-I522 HydrophobicContact CD1-CD1 4.42Å; D484-I522 HydrophobicContact CB-CD1 3.84Å; D484-I522 HydrophobicContact CB-CG1 3.59Å; D484-I522 WeakPolarHBondContact OD2-CG1 3.36Å; D484-I522 PolarHBondContact OD2-N 2.9Å; D484-I522 VanDerWaalsContact OD2-N 3.12Å; P517-I522 HydrophobicContact CB-CG2 4.2Å; I522-Y608 CarbonylContact O-C 3.55Å; I522-Y608 WeakPolarHBondContact O-CA 3.31Å; I522-L609 PolarHBondContact O-N 3.25Å; I522-P611 HydrophobicContact CG2-CB 3.99Å; I522-P611 HydrophobicContact CG2-CG 4.04Å
523F91.5Very high81.9Confident0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-111.9134.5-174.5175.6-101.2000112.3L382 L434 R492 R525 D606 F607 Y608L382-F523 HydrophobicContact CD2-CB 3.5Å; L382-F523 HydrophobicContact CD2-CD2 4.31Å; L382-F523 HydrophobicContact CD2-CG 4.01Å; L434-F523 HydrophobicContact CD2-CE1 4.36Å; R492-F523 WeakPolarHBondContact CD-O 3.35Å; F523-R525 HydrophobicContact CE1-CB 4.21Å; F523-R525 HydrophobicContact CZ-CB 4.05Å; F523-D606 HydrophobicContact CE2-CB 3.77Å; F523-D606 HydrophobicContact CZ-CB 4.43Å; F523-F607 VanDerWaalsContact CA-O 3.31Å; F523-F607 WeakPolarHBondContact CA-O 3.23Å; F523-Y608 AromaticContact CD2-CD1 4Å; F523-Y608 HydrophobicContact CD2-CD1 4Å; F523-Y608 AromaticContact CD2-CE1 3.6Å; F523-Y608 HydrophobicContact CD2-CE1 3.6Å; F523-Y608 AromaticContact CE2-CE1 3.83Å; F523-Y608 HydrophobicContact CE2-CE1 3.83Å; F523-Y608 AromaticContact CE2-CZ 3.84Å
524H92.3Very high80.8Confident5 Ų542.6 Ų42.62%0.02322%0.221CC..EExtended strand (participates in β ladder)trans-143.1131.6172.2-67.8-99000110R492 H494 F515 T520 G521 F526 D606 F607R492-H524 CarbonylContact O-C 3.58Å; R492-H524 VanDerWaalsContact O-CA 3.32Å; R492-H524 WeakPolarHBondContact O-CA 3.48Å; H494-H524 AromaticContact NE2-ND1 3.36Å; H494-H524 PolarHBondContact NE2-ND1 2.64Å; F515-H524 AromaticContact CD1-CD2 3.88Å; F515-H524 AromaticContact CD1-CE1 3.62Å; F515-H524 AromaticContact CD1-ND1 3.9Å; F515-H524 AromaticContact CD1-NE2 3.59Å; F515-H524 AromaticContact CE1-CE1 3.76Å; F515-H524 AromaticContact CE1-CG 3.93Å; F515-H524 AromaticContact CE1-ND1 3.61Å; T520-H524 PolarHBondContact OG1-NE2 3.25Å; G521-H524 PolarHBondContact O-NE2 2.58Å; H524-F526 HydrophobicContact CB-CE2 3.8Å; H524-F526 HydrophobicContact CB-CZ 4.43Å; H524-D606 CarbonylContact O-C 3.48Å; H524-D606 WeakPolarHBondContact O-CA 3.23Å; H524-F607 HydrophobicContact CB-CB 4.27Å; H524-F607 PolarHBondContact N-O 2.96Å; H524-F607 VanDerWaalsContact N-O 3.11Å; H524-F607 PolarHBondContact O-N 2.86Å
525R91.6Very high79.4Confident5 Ų539.3 Ų39.32%0.01920%0.2CC..EExtended strand (participates in β ladder)trans-109.6134.3174.8174.1165.7-68.21803.4110.3L316 T318 R492 I493 H494 F523 F604 I605 D606L316-R525 PolarHBondContact O-NH1 2.77Å; L316-R525 PolarHBondContact O-NH2 3.43Å; T318-R525 PolarHBondContact OG1-NH1 3.32Å; R492-R525 PolarHBondContact O-N 2.92Å; I493-R525 HydrophobicContact CG1-CB 4.4Å; I493-R525 HydrophobicContact CG2-CB 4.42Å; I493-R525 HydrophobicContact CG2-CG 4.39Å; H494-R525 WeakPolarHBondContact CB-O 3.31Å; H494-R525 PolarHBondContact CD2-O 3.32Å; H494-R525 PolarHBondContact N-O 2.85Å; F523-R525 HydrophobicContact CE1-CB 4.21Å; F523-R525 HydrophobicContact CZ-CB 4.05Å; R525-F604 HydrophobicContact CG-CB 4.07Å; R525-F604 HydrophobicContact CG-CD2 4.23Å; R525-F604 HydrophobicContact CG-CG 4.34Å; R525-F604 VanDerWaalsContact NE-CD2 3.32Å; R525-I605 CarbonylContact C-O 3.47Å; R525-I605 WeakPolarHBondContact CA-O 3.36Å; R525-D606 VanDerWaalsContact CB-OD1 3.28Å; R525-D606 WeakPolarHBondContact CB-OD1 3.05Å; R525-D606 WeakPolarHBondContact CG-OD1 3.36Å; R525-D606 IonicContact CZ-OD1 3.46Å; R525-D606 IonicContact CZ-OD2 3.64Å; R525-D606 IonicContact NE-OD1 2.71Å; R525-D606 PolarHBondContact NE-OD1 3.02Å; R525-D606 IonicContact NE-OD2 3.69Å; R525-D606 IonicContact NH2-OD1 3.34Å; R525-D606 PolarHBondContact NH2-OD1 3.34Å; R525-D606 IonicContact NH2-OD2 2.77Å; R525-D606 PolarHBondContact NH2-OD2 3.2Å
526F88.4Confident78Confident7 Ų738.9 Ų38.93%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-123.8123172.5-64.3-93000109.6H494 L497 F515 H524 F604 I605 F607H494-F526 HydrophobicContact CB-CD1 3.42Å; H494-F526 VanDerWaalsContact CB-CD1 3.42Å; H494-F526 HydrophobicContact CB-CE1 3.51Å; H494-F526 HydrophobicContact CB-CG 4.18Å; H494-F526 HydrophobicContact CB-CZ 4.32Å; H494-F526 AromaticContact CD2-CE1 3.52Å; H494-F526 AromaticContact CD2-CE2 3.95Å; H494-F526 AromaticContact CD2-CZ 3.43Å; H494-F526 VanDerWaalsContact CD2-CZ 3.43Å; H494-F526 WeakPolarHBondContact CD2-CZ 3.41Å; H494-F526 AromaticContact CG-CD1 3.82Å; H494-F526 AromaticContact CG-CE1 3.36Å; H494-F526 AromaticContact CG-CZ 3.78Å; L497-F526 HydrophobicContact CD1-CB 3.54Å; L497-F526 HydrophobicContact CD1-CG 4.04Å; L497-F526 HydrophobicContact CG-CB 3.83Å; L497-F526 HydrophobicContact CG-CD1 3.9Å; L497-F526 HydrophobicContact CG-CG 3.86Å; F515-F526 HydrophobicContact CE1-CZ 4.14Å; F515-F526 HydrophobicContact CZ-CE2 4.17Å; F515-F526 AromaticContact CZ-CZ 3.65Å; F515-F526 HydrophobicContact CZ-CZ 3.65Å; H524-F526 HydrophobicContact CB-CE2 3.8Å; H524-F526 HydrophobicContact CB-CZ 4.43Å; F526-F604 CarbonylContact O-C 3.51Å; F526-F604 WeakPolarHBondContact O-CA 3.39Å; F526-F604 VanDerWaalsContact O-CB 3.28Å; F526-F604 WeakPolarHBondContact O-CB 3.34Å; F526-I605 PolarHBondContact N-O 3.04Å; F526-I605 PolarHBondContact O-N 3.41Å; F526-F607 AromaticContact CD2-CD2 3.65Å; F526-F607 HydrophobicContact CD2-CD2 3.65Å; F526-F607 AromaticContact CD2-CE2 3.41Å; F526-F607 HydrophobicContact CD2-CE2 3.41Å; F526-F607 VanDerWaalsContact CD2-CE2 3.41Å; F526-F607 AromaticContact CE2-CD2 3.67Å; F526-F607 HydrophobicContact CE2-CD2 3.67Å; F526-F607 AromaticContact CE2-CE2 3.59Å; F526-F607 HydrophobicContact CE2-CE2 3.59Å; F526-F607 HydrophobicContact CG-CE2 4.49Å
527Y84.9Confident76.3Confident50 Ų5037.4 Ų37.420%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-76.5153.3171.2-64-75.1000111.1I493 H494 S495 D496 P529 P602 S603 F604I493-Y527 HydrophobicContact CG2-CD2 4.32Å; I493-Y527 HydrophobicContact CG2-CE2 3.47Å; I493-Y527 VanDerWaalsContact CG2-CE2 3.47Å; H494-Y527 WeakPolarHBondContact O-CD2 3.47Å; H494-Y527 PolarHBondContact O-N 3.32Å; S495-Y527 WeakPolarHBondContact O-CB 3.41Å; D496-Y527 VanDerWaalsContact CA-O 3.32Å; D496-Y527 WeakPolarHBondContact CA-O 3.19Å; Y527-P529 WeakPolarHBondContact O-CD 3.49Å; Y527-P602 HydrophobicContact CD1-CB 4.31Å; Y527-P602 HydrophobicContact CD1-CG 3.62Å; Y527-P602 HydrophobicContact CE1-CG 4.19Å; Y527-P602 HydrophobicContact CG-CG 4.2Å; Y527-S603 CarbonylContact C-O 3.49Å; Y527-F604 HydrophobicContact CD1-CB 3.73Å; Y527-F604 HydrophobicContact CD1-CD1 4.3Å; Y527-F604 HydrophobicContact CD1-CG 4.4Å; Y527-F604 HydrophobicContact CE1-CB 4.13Å; Y527-F604 HydrophobicContact CE1-CD1 4.1Å; Y527-F604 HydrophobicContact CE1-CG 4.36Å; Y527-F604 HydrophobicContact CG-CB 4.46Å
528L79.6Confident74.8Confident5 Ų537.3 Ų37.33%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-120.981.6178.6-64.5175.2000108.2L497 I530 Y533 L563 L587 S603 I605L497-L528 HydrophobicContact CD1-CD2 3.69Å; L528-I530 PolarHBondContact O-N 3.03Å; L528-Y533 HydrophobicContact CB-CD2 4.24Å; L528-Y533 HydrophobicContact CD2-CD1 4.35Å; L528-Y533 HydrophobicContact CD2-CD2 3.86Å; L528-Y533 HydrophobicContact CD2-CE1 4.41Å; L528-Y533 HydrophobicContact CD2-CE2 3.95Å; L528-Y533 HydrophobicContact CD2-CG 4.06Å; L528-L563 HydrophobicContact CD1-CD1 3.89Å; L528-L587 HydrophobicContact CD1-CD1 4.47Å; L528-S603 PolarHBondContact N-O 3.01Å; L528-I605 HydrophobicContact CD1-CD1 3.84Å; L528-I605 HydrophobicContact CD1-CG1 3.94Å; L528-I605 HydrophobicContact CD2-CD1 4.31Å; L528-I605 HydrophobicContact CG-CD1 4.4Å
529P71.9Confident73.4Confident37 Ų3732.5 Ų32.524%0.2417%0.167CC..  trans-65.2134.6177.425.5-32000110.3D496 Y527 E531 N532 Y533D496-P529 HydrophobicContact CB-CG 4.31Å; Y527-P529 WeakPolarHBondContact O-CD 3.49Å; P529-E531 PolarHBondContact O-N 3.18Å; P529-E531 VanDerWaalsContact O-N 3.14Å; P529-N532 HydrophobicContact CG-CB 4.21Å; P529-N532 PolarHBondContact O-N 2.9Å; P529-Y533 PolarHBondContact O-N 3.28Å
530I65.9Low72.2Confident61 Ų6127 Ų2731%0.31314%0.138SC..THydrogen-bonded Turntrans-56.3-31.6-178.8-71.5169000112L528 N532 Y533 F598L528-I530 PolarHBondContact O-N 3.03Å; I530-N532 VanDerWaalsContact C-N 3.28Å; I530-N532 PolarHBondContact O-N 3.21Å; I530-Y533 CarbonylContact O-C 3.59Å; I530-F598 HydrophobicContact CD1-CB 3.83Å; I530-F598 HydrophobicContact CD1-CD1 3.5Å; I530-F598 VanDerWaalsContact CD1-CD1 3.5Å; I530-F598 HydrophobicContact CD1-CD2 4.13Å; I530-F598 HydrophobicContact CD1-CE1 4.05Å; I530-F598 HydrophobicContact CD1-CG 3.55Å
531E64.3Low71.2Confident153 Ų15326 Ų2672%0.71514%0.135SC*.THydrogen-bonded Turntrans-59.4-37.4178.3-62177.6-172.800112.5P529 Q712P529-E531 PolarHBondContact O-N 3.18Å; P529-E531 VanDerWaalsContact O-N 3.14Å; E531-Q712 PolarHBondContact O-NE2 3.28Å
532N65Low70.4Confident69 Ų6926.2 Ų26.237%0.36914%0.137SC..THydrogen-bonded Turntrans-97.1-31.5-178-66-11.6000112.3D496 P529 I530D496-N532 PolarHBondContact OD2-ND2 3.16Å; P529-N532 HydrophobicContact CG-CB 4.21Å; P529-N532 PolarHBondContact O-N 2.9Å; I530-N532 VanDerWaalsContact C-N 3.28Å; I530-N532 PolarHBondContact O-N 3.21Å
533Y63.2Low69.9Low3 Ų325.7 Ų25.71%0.01213%0.134CC..  trans-121.588.2-175.7-60-78000108.8D496 L497 Y499 L528 P529 I530 L535 P542D496-Y533 HydrophobicContact CB-CE2 4.46Å; L497-Y533 VanDerWaalsContact C-OH 3.27Å; L497-Y533 WeakPolarHBondContact CB-OH 3.36Å; L497-Y533 PolarHBondContact O-OH 2.95Å; Y499-Y533 WeakPolarHBondContact CB-OH 3.47Å; Y499-Y533 HydrophobicContact CD1-CE1 4.48Å; Y499-Y533 HydrophobicContact CG-CE1 4.17Å; L528-Y533 HydrophobicContact CB-CD2 4.24Å; L528-Y533 HydrophobicContact CD2-CD1 4.35Å; L528-Y533 HydrophobicContact CD2-CD2 3.86Å; L528-Y533 HydrophobicContact CD2-CE1 4.41Å; L528-Y533 HydrophobicContact CD2-CE2 3.95Å; L528-Y533 HydrophobicContact CD2-CG 4.06Å; P529-Y533 PolarHBondContact O-N 3.28Å; I530-Y533 CarbonylContact O-C 3.59Å; Y533-L535 WeakPolarHBondContact O-CG 3.4Å; Y533-L535 PolarHBondContact O-N 3.18Å; Y533-P542 HydrophobicContact CD1-CG 4Å; Y533-P542 HydrophobicContact CE1-CG 4.41Å
534Y57.8Low69.5Low29 Ų2925.8 Ų25.811%0.11413%0.134CC..  trans-7699.3173.2-164.9-96.6000109.9S536 T539 L707Y534-S536 VanDerWaalsContact CE1-CB 3.43Å; Y534-S536 PolarHBondContact O-N 3.41Å; Y534-T539 HydrophobicContact CD1-CG2 3.49Å; Y534-T539 VanDerWaalsContact CD1-CG2 3.49Å; Y534-T539 HydrophobicContact CE1-CG2 3.71Å; Y534-T539 PolarHBondContact O-OG1 2.86Å; Y534-L707 HydrophobicContact CD1-CD2 3.82Å; Y534-L707 HydrophobicContact CD2-CD2 4.04Å; Y534-L707 HydrophobicContact CE1-CD1 4.27Å; Y534-L707 HydrophobicContact CE1-CD2 3.55Å; Y534-L707 HydrophobicContact CE1-CG 3.99Å; Y534-L707 HydrophobicContact CE2-CD2 3.81Å; Y534-L707 HydrophobicContact CE2-CG 4.26Å; Y534-L707 HydrophobicContact CG-CD2 4.03Å
535L58.2Low69.3Low23 Ų2327 Ų2712%0.1214%0.141CC..  trans-89.5102.7175.1-58.3154.6000102.7Y533 L587 I589Y533-L535 WeakPolarHBondContact O-CG 3.4Å; Y533-L535 PolarHBondContact O-N 3.18Å; L535-L587 HydrophobicContact CB-CB 4.3Å; L535-L587 HydrophobicContact CB-CD1 4.45Å; L535-L587 HydrophobicContact CD1-CD1 3.49Å; L535-L587 VanDerWaalsContact CD1-CD1 3.49Å; L535-L587 HydrophobicContact CD2-CB 4.16Å; L535-L587 HydrophobicContact CD2-CD1 3.22Å; L535-L587 HydrophobicContact CD2-CG 4.25Å; L535-L587 HydrophobicContact CG-CD1 3.8Å; L535-I589 HydrophobicContact CB-CD1 3.72Å; L535-I589 HydrophobicContact CB-CG1 3.74Å; L535-I589 WeakPolarHBondContact O-CB 3.43Å; L535-I589 WeakPolarHBondContact O-CG1 3.48Å; L535-I589 WeakPolarHBondContact O-CG2 3.35Å
536S58.5Low69.2Low5 Ų526.8 Ų26.84%0.03514%0.14CC..  trans-118.7154.1151.8170.80000110Y534 S538 T539 I589 E703Y534-S536 VanDerWaalsContact CE1-CB 3.43Å; Y534-S536 PolarHBondContact O-N 3.41Å; S536-S538 PolarHBondContact O-N 3.05Å; S536-S538 VanDerWaalsContact O-N 3.14Å; S536-S538 PolarHBondContact OG-N 3.06Å; S536-S538 PolarHBondContact OG-OG 3.08Å; S536-S538 VanDerWaalsContact OG-OG 3.08Å; S536-T539 WeakPolarHBondContact CA-OG1 3.46Å; S536-T539 PolarHBondContact N-OG1 2.89Å; S536-T539 PolarHBondContact O-N 2.88Å; S536-T539 PolarHBondContact O-OG1 3.49Å; S536-T539 VanDerWaalsContact O-OG1 3.14Å; S536-I589 VanDerWaalsContact CA-CB 3.44Å; S536-I589 VanDerWaalsContact N-CD1 3.34Å; S536-I589 WeakPolarHBondContact O-CD1 3.43Å; S536-E703 VanDerWaalsContact OG-CD 3.25Å; S536-E703 PolarHBondContact OG-OE1 2.88Å; S536-E703 PolarHBondContact OG-OE2 2.57Å; S536-E703 VanDerWaalsContact OG-OE2 3.06Å
537S55Low69.3Low18 Ų1829.1 Ų29.113%0.12615%0.15CC..THydrogen-bonded Turntrans-59.5-25.2175.857.20000110.3I589 L633S537-I589 WeakPolarHBondContact CB-O 3.38Å; S537-I589 VanDerWaalsContact N-CD1 3.33Å; S537-I589 PolarHBondContact OG-O 2.92Å; S537-L633 VanDerWaalsContact CB-CD1 3.49Å; S537-L633 WeakPolarHBondContact O-CD1 3.37Å
538S52.7Low69.5Low5 Ų528.2 Ų28.24%0.03515%0.147CC..THydrogen-bonded Turntrans-92.4-6.517670.50000115.3S536 W626 L699S536-S538 PolarHBondContact O-N 3.05Å; S536-S538 VanDerWaalsContact O-N 3.14Å; S536-S538 PolarHBondContact OG-N 3.06Å; S536-S538 PolarHBondContact OG-OG 3.08Å; S536-S538 VanDerWaalsContact OG-OG 3.08Å; S538-W626 PolarHBondContact O-NE1 2.89Å; S538-L699 WeakPolarHBondContact OG-CD2 3.39Å
539T54.2Low69.9Low12 Ų1232.2 Ų32.27%0.07416%0.164CC..SBendtrans-103.2166.8-176.963.90000113.5Y534 S536 G541Y534-T539 HydrophobicContact CD1-CG2 3.49Å; Y534-T539 VanDerWaalsContact CD1-CG2 3.49Å; Y534-T539 HydrophobicContact CE1-CG2 3.71Å; Y534-T539 PolarHBondContact O-OG1 2.86Å; S536-T539 WeakPolarHBondContact CA-OG1 3.46Å; S536-T539 PolarHBondContact N-OG1 2.89Å; S536-T539 PolarHBondContact O-N 2.88Å; S536-T539 PolarHBondContact O-OG1 3.49Å; S536-T539 VanDerWaalsContact O-OG1 3.14Å; T539-G541 PolarHBondContact O-N 2.95Å; T539-G541 VanDerWaalsContact O-N 3.07Å
540I59.3Low70.6Confident26 Ų2637.3 Ų37.313%0.13319%0.189CC..  trans-75.797.9179.3-40.9-170.3000107.8Y506 Y621 L623 W626Y506-I540 HydrophobicContact CE1-CD1 4.27Å; Y506-I540 WeakPolarHBondContact OH-CD1 3.12Å; I540-Y621 HydrophobicContact CB-CD1 3.94Å; I540-Y621 HydrophobicContact CG2-CD1 3.57Å; I540-Y621 HydrophobicContact CG2-CG 4.29Å; I540-Y621 WeakPolarHBondContact O-CE1 3.01Å; I540-L623 HydrophobicContact CD1-CD2 4.27Å; I540-W626 HydrophobicContact CB-CB 4.32Å; I540-W626 HydrophobicContact CB-CG 4.39Å; I540-W626 HydrophobicContact CD1-CB 4.04Å; I540-W626 HydrophobicContact CD1-CD2 3.68Å; I540-W626 HydrophobicContact CD1-CE3 3.76Å; I540-W626 HydrophobicContact CD1-CG 3.85Å; I540-W626 HydrophobicContact CD1-CZ3 4.4Å; I540-W626 HydrophobicContact CG1-CB 3.71Å; I540-W626 HydrophobicContact CG1-CD2 3.66Å; I540-W626 HydrophobicContact CG1-CE3 4.27Å; I540-W626 HydrophobicContact CG1-CG 3.41Å; I540-W626 VanDerWaalsContact CG1-CG 3.41Å; I540-W626 HydrophobicContact CG2-CB 4.13Å
541G63.7Low71.5Confident17 Ų1736.9 Ų36.918%0.17519%0.191CC..PPolyproline II helixtrans-61.9142.4165.300000110.1T539T539-G541 PolarHBondContact O-N 2.95Å; T539-G541 VanDerWaalsContact O-N 3.07Å
542P72.2Confident72.3Confident6 Ų632.1 Ų32.14%0.03917%0.174CC..PPolyproline II helixtrans-63.8140173.327.7-34000110Y533 F585 V619 Y621Y533-P542 HydrophobicContact CD1-CG 4Å; Y533-P542 HydrophobicContact CE1-CG 4.41Å; P542-F585 WeakPolarHBondContact O-CD2 3.19Å; P542-V619 HydrophobicContact CB-CG1 3.7Å; P542-Y621 HydrophobicContact CB-CE1 4.37Å
543N78Confident72.5Confident3 Ų333.8 Ų33.82%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-95.3130.2167.1-71.3-0.3000108.5E582 I583 S584 V619 Y620 S622 S625N543-E582 PolarHBondContact ND2-OE1 3.11Å; N543-I583 CarbonylContact C-O 3.54Å; N543-I583 VanDerWaalsContact CA-O 3.3Å; N543-I583 WeakPolarHBondContact CA-O 3.47Å; N543-S584 WeakPolarHBondContact OD1-CA 3.5Å; N543-S584 WeakPolarHBondContact OD1-CB 3.42Å; N543-V619 WeakPolarHBondContact O-CA 3.37Å; N543-Y620 HydrophobicContact CB-CD1 4.17Å; N543-Y620 HydrophobicContact CB-CD2 4.39Å; N543-Y620 HydrophobicContact CB-CE1 3.75Å; N543-Y620 HydrophobicContact CB-CE2 4.05Å; N543-Y620 HydrophobicContact CB-CG 4.48Å; N543-Y620 PolarHBondContact N-O 2.88Å; N543-Y620 WeakPolarHBondContact O-CD1 3.4Å; N543-Y620 PolarHBondContact O-N 3.45Å; N543-S622 VanDerWaalsContact ND2-CB 3.31Å; N543-S622 WeakPolarHBondContact ND2-CB 3.48Å; N543-S625 PolarHBondContact ND2-OG 2.85Å
544L83.9Confident72.8Confident2 Ų237.3 Ų37.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-91.6126.9165.4-97.386.4000110.1L497 E582 I583 F585 I605 F607 V617 V619L497-L544 HydrophobicContact CD1-CD1 4.45Å; L497-L544 HydrophobicContact CD2-CD1 3.92Å; L497-L544 HydrophobicContact CD2-CD2 4.1Å; L497-L544 HydrophobicContact CD2-CG 4.35Å; L544-E582 CarbonylContact O-C 3.51Å; L544-E582 WeakPolarHBondContact O-CA 3.39Å; L544-I583 HydrophobicContact CB-CB 4.37Å; L544-I583 PolarHBondContact N-O 3.08Å; L544-I583 PolarHBondContact O-N 3.43Å; L544-F585 HydrophobicContact CB-CE2 3.72Å; L544-F585 HydrophobicContact CB-CZ 4.22Å; L544-F585 HydrophobicContact CD1-CD2 4.05Å; L544-F585 HydrophobicContact CD1-CE2 3.21Å; L544-F585 HydrophobicContact CD1-CZ 3.95Å; L544-F585 HydrophobicContact CG-CE2 3.92Å; L544-F585 HydrophobicContact CG-CZ 4.44Å; L544-I605 HydrophobicContact CD1-CD1 4.26Å; L544-F607 HydrophobicContact CD2-CE1 4.1Å; L544-F607 HydrophobicContact CD2-CE2 4.48Å; L544-F607 HydrophobicContact CD2-CZ 3.46Å; L544-F607 VanDerWaalsContact CD2-CZ 3.46Å; L544-V617 HydrophobicContact CD2-CG1 3.52Å; L544-V617 HydrophobicContact CG-CG1 4.25Å; L544-V619 HydrophobicContact CD1-CG2 4.04Å; L544-V619 HydrophobicContact CG-CG2 4.18Å
545L87Confident73.1Confident32 Ų3243.7 Ų43.717%0.16824%0.241CC..EExtended strand (participates in β ladder)trans-101.8122.1163.517468.6000108.9K547 K580 V617 S618 Y620L545-K547 VanDerWaalsContact CD2-CE 3.48Å; L545-K547 HydrophobicContact CD2-CG 4.48Å; L545-K547 HydrophobicContact CG-CG 4.22Å; L545-K580 HydrophobicContact CD1-CB 4.36Å; L545-V617 WeakPolarHBondContact O-CA 3.27Å; L545-S618 WeakPolarHBondContact CB-OG 3.35Å; L545-S618 PolarHBondContact N-O 2.73Å; L545-S618 PolarHBondContact O-N 3.03Å; L545-S618 PolarHBondContact O-OG 3.35Å; L545-Y620 HydrophobicContact CB-CD1 4.25Å; L545-Y620 HydrophobicContact CB-CE1 3.64Å
546I89.9Confident73.5Confident0 Ų047.5 Ų47.50%025%0.253CS..EExtended strand (participates in β ladder)trans-114.1115.5177.5-54.7176.4000107.4V561 I576 K580 T581 I583 F607 Y615 E616 V617I546-V561 HydrophobicContact CD1-CG2 3.43Å; I546-V561 VanDerWaalsContact CD1-CG2 3.43Å; I546-I576 HydrophobicContact CD1-CD1 4.34Å; I546-I576 HydrophobicContact CD1-CG1 4.48Å; I546-I576 HydrophobicContact CG2-CD1 4.38Å; I546-I576 HydrophobicContact CG2-CG2 4.12Å; I546-K580 WeakPolarHBondContact O-CA 3.49Å; I546-T581 PolarHBondContact N-O 3.29Å; I546-T581 PolarHBondContact O-N 2.85Å; I546-I583 HydrophobicContact CD1-CD1 3.7Å; I546-F607 HydrophobicContact CD1-CD1 4.44Å; I546-F607 HydrophobicContact CD1-CE1 3.75Å; I546-F607 HydrophobicContact CG1-CE1 4.45Å; I546-Y615 HydrophobicContact CG2-CD1 3.94Å; I546-E616 WeakPolarHBondContact CA-O 3.31Å; I546-V617 HydrophobicContact CG1-CG2 4.28Å; I546-V617 HydrophobicContact CG2-CG2 4.4Å
547K89.9Confident74.3Confident56 Ų5647.7 Ų47.724%0.24325%0.254CS..EExtended strand (participates in β ladder)trans-103.1129.8173.6-54.7-179.4-175.3160.40109L545 D579 K580 Y615 E616L545-K547 VanDerWaalsContact CD2-CE 3.48Å; L545-K547 HydrophobicContact CD2-CG 4.48Å; L545-K547 HydrophobicContact CG-CG 4.22Å; K547-D579 CarbonylContact C-O 3.57Å; K547-D579 WeakPolarHBondContact CA-O 3.16Å; K547-K580 HydrophobicContact CG-CG 4.17Å; K547-Y615 CarbonylContact O-C 3.27Å; K547-Y615 WeakPolarHBondContact O-CA 3.34Å; K547-E616 HydrophobicContact CB-CB 4.21Å; K547-E616 PolarHBondContact N-O 3.07Å; K547-E616 PolarHBondContact O-N 3.14Å
548R89Confident75.5Confident31 Ų3148.9 Ų48.912%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-101.5125.8177.3-169.1-171.368.8-168.6-14.2109.1C551 G577 D579 C613 Y615R548-C551 WeakPolarHBondContact CD-SG 3.37Å; R548-C551 WeakPolarHBondContact CG-SG 3.45Å; R548-C551 PolarHBondContact NE-SG 3.04Å; R548-G577 VanDerWaalsContact CZ-O 3.28Å; R548-G577 PolarHBondContact NH1-O 3.26Å; R548-G577 PolarHBondContact NH2-O 3.4Å; R548-D579 IonicContact CZ-OD1 2.67Å; R548-D579 PolarHBondContact N-O 3.42Å; R548-D579 IonicContact NH2-OD1 2.8Å; R548-D579 PolarHBondContact NH2-OD1 3.11Å; R548-C613 HydrophobicContact CG-CB 3.86Å; R548-Y615 HydrophobicContact CB-CD1 4.33Å; R548-Y615 HydrophobicContact CB-CE1 4.21Å; R548-Y615 HydrophobicContact CG-CD1 4.23Å; R548-Y615 HydrophobicContact CG-CE1 3.78Å
549K87.7Confident77.2Confident89 Ų8948.7 Ų48.739%0.38726%0.257SS..EExtended strand (participates in β ladder)trans-129156.8-177.4-67.3-173.2-179.6175.20111.2C551 V614 E616K549-C551 VanDerWaalsContact C-N 3.3Å; K549-C551 PolarHBondContact O-N 3.29Å; K549-V614 PolarHBondContact N-O 2.93Å; K549-V614 PolarHBondContact O-N 3.44Å; K549-E616 WeakPolarHBondContact CE-OE1 3.47Å; K549-E616 WeakPolarHBondContact CE-OE2 3.5Å; K549-E616 IonicContact NZ-OE1 2.84Å; K549-E616 PolarHBondContact NZ-OE1 2.97Å; K549-E616 IonicContact NZ-OE2 3.69Å; K549-E616 PolarHBondContact NZ-OE2 3.45Å
550N86.6Confident79.1Confident144 Ų14448.2 Ų48.277%0.7725%0.253SS*.SBendtrans51.242.9171.6-62.4-9.6000114.5V614N550-V614 HydrophobicContact CB-CG2 4.46Å
551C84.8Confident80.6Confident51 Ų5147.1 Ų47.135%0.34525%0.248SC..  trans-76.9137.9176.3-67.60000112.3R548 K549 N612 C613R548-C551 WeakPolarHBondContact CD-SG 3.37Å; R548-C551 WeakPolarHBondContact CG-SG 3.45Å; R548-C551 PolarHBondContact NE-SG 3.04Å; K549-C551 VanDerWaalsContact C-N 3.3Å; K549-C551 PolarHBondContact O-N 3.29Å; C551-N612 VanDerWaalsContact CA-O 3.31Å; C551-N612 WeakPolarHBondContact CA-O 3.46Å; C551-C613 HydrophobicContact CB-CB 4.26Å; C551-C613 WeakPolarHBondContact CB-SG 3.28Å; C551-C613 WeakPolarHBondContact SG-CB 3.09Å; C551-C613 CovalentContact SG-SG 2.04Å; C551-C613 PolarHBondContact SG-SG 2.83Å
552S81.4Confident82Confident53 Ų5346.3 Ų46.337%0.37124%0.24SC..  trans-70.1158.5163.282.20000110.8D554 N612S552-D554 PolarHBondContact O-N 3.33Å; S552-N612 PolarHBondContact N-O 3.26Å; S552-N612 VanDerWaalsContact N-O 3.11Å; S552-N612 WeakPolarHBondContact OG-CB 3.21Å
553A70.4Confident82.8Confident105 Ų10546.1 Ų46.187%0.86824%0.238SC*.SBendtrans-71.2-16.9-178.400000113.5R555A553-R555 PolarHBondContact O-N 3.24Å
554D67.9Low83.2Confident76 Ų7646.1 Ų46.141%0.40624%0.239SC..  trans-84.692.3-173.8-167.1-2.5000111.1S552 R556 N612S552-D554 PolarHBondContact O-N 3.33Å; D554-R556 PolarHBondContact O-N 3.05Å; D554-R556 VanDerWaalsContact O-N 3.08Å; D554-R556 VanDerWaalsContact OD1-CG 3.31Å; D554-R556 WeakPolarHBondContact OD1-CG 3.48Å; D554-R556 IonicContact OD1-NE 3.66Å; D554-R556 IonicContact OD2-CZ 2.8Å; D554-R556 IonicContact OD2-NE 3.51Å; D554-R556 PolarHBondContact OD2-NE 3.44Å; D554-R556 IonicContact OD2-NH2 3.15Å; D554-R556 PolarHBondContact OD2-NH2 3.04Å; D554-N612 PolarHBondContact O-ND2 2.8Å
555R63.9Low83.1Confident163 Ų16346.1 Ų46.162%0.61524%0.239SC*.  trans-82.677.9-178.8-65.4-172.4-178.7-174.81.4111.5A553A553-R555 PolarHBondContact O-N 3.24Å
556R68.4Low82.7Confident103 Ų10347 Ų4739%0.38924%0.243SC..SBendtrans-84.9-23.3173.7-57.2-172.1-165.7164.77.3113.4D554D554-R556 PolarHBondContact O-N 3.05Å; D554-R556 VanDerWaalsContact O-N 3.08Å; D554-R556 VanDerWaalsContact OD1-CG 3.31Å; D554-R556 WeakPolarHBondContact OD1-CG 3.48Å; D554-R556 IonicContact OD1-NE 3.66Å; D554-R556 IonicContact OD2-CZ 2.8Å; D554-R556 IonicContact OD2-NE 3.51Å; D554-R556 PolarHBondContact OD2-NE 3.44Å; D554-R556 IonicContact OD2-NH2 3.15Å; D554-R556 PolarHBondContact OD2-NH2 3.04Å
557F74.6Confident81.9Confident10 Ų1051 Ų514%0.04426%0.258CS..  trans-133.1148.5176.7-159-119.3000109.4L384 I430 F482 D610L384-F557 HydrophobicContact CD1-CE2 4.4Å; L384-F557 HydrophobicContact CD1-CZ 4.1Å; I430-F557 HydrophobicContact CD1-CE2 3.87Å; F482-F557 HydrophobicContact CD2-CD2 4.29Å; F482-F557 HydrophobicContact CE1-CB 3.79Å; F482-F557 AromaticContact CE1-CD2 3.94Å; F482-F557 HydrophobicContact CE1-CD2 3.94Å; F482-F557 AromaticContact CE1-CG 3.83Å; F482-F557 HydrophobicContact CE1-CG 3.83Å; F482-F557 HydrophobicContact CE2-CB 4.42Å; F482-F557 AromaticContact CE2-CD2 3.54Å; F482-F557 HydrophobicContact CE2-CD2 3.54Å; F482-F557 HydrophobicContact CE2-CE2 4.16Å; F482-F557 HydrophobicContact CE2-CG 4.23Å; F482-F557 HydrophobicContact CZ-CB 3.49Å; F482-F557 VanDerWaalsContact CZ-CB 3.49Å; F482-F557 AromaticContact CZ-CD2 3.42Å; F482-F557 HydrophobicContact CZ-CD2 3.42Å; F482-F557 VanDerWaalsContact CZ-CD2 3.42Å; F482-F557 HydrophobicContact CZ-CE2 4.35Å; F482-F557 AromaticContact CZ-CG 3.62Å; F482-F557 HydrophobicContact CZ-CG 3.62Å; F557-D610 HydrophobicContact CB-CB 4.34Å; F557-D610 HydrophobicContact CD1-CB 4.35Å
558M81Confident81.2Confident43 Ų4349.4 Ų49.421%0.21225%0.254CS..  trans-112.6117.8165.5-175.3173.817700106.8P424 L425 P575P424-M558 HydrophobicContact CB-CB 4.29Å; P424-M558 HydrophobicContact CB-CE 4.47Å; P424-M558 HydrophobicContact CB-CG 4.12Å; P424-M558 HydrophobicContact CB-SD 3.76Å; L425-M558 HydrophobicContact CB-CB 4.18Å; L425-M558 HydrophobicContact CD1-CB 4.29Å; M558-P575 HydrophobicContact CE-CB 3.32Å; M558-P575 HydrophobicContact CE-CG 4.49Å; M558-P575 HydrophobicContact SD-CB 4.3Å
559G88Confident80.9Confident1 Ų150.2 Ų50.21%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-57.6152.3178.400000111.4I576 Y608G559-I576 WeakPolarHBondContact O-CA 3.32Å; G559-I576 WeakPolarHBondContact O-CB 3.3Å; G559-I576 PolarHBondContact O-N 3.22Å; G559-Y608 CarbonylContact C-O 3.4Å; G559-Y608 WeakPolarHBondContact CA-O 3.44Å
560M92.5Very high80.7Confident1 Ų146.9 Ų46.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-144.3157.4177.164.7175.9-178.900111.5L421 P422 P424 T562 V574 Y608L421-M560 HydrophobicContact CB-CE 3.93Å; L421-M560 HydrophobicContact CD1-CE 3.67Å; L421-M560 HydrophobicContact CG-CE 4.38Å; P422-M560 HydrophobicContact CG-SD 4.39Å; P424-M560 HydrophobicContact CG-CB 3.87Å; P424-M560 HydrophobicContact CG-CG 4.45Å; P424-M560 HydrophobicContact CG-SD 4.24Å; M560-T562 HydrophobicContact SD-CG2 4.44Å; M560-V574 WeakPolarHBondContact CA-O 3.49Å; M560-Y608 HydrophobicContact CE-CD1 4.12Å; M560-Y608 HydrophobicContact CE-CD2 3.45Å; M560-Y608 VanDerWaalsContact CE-CD2 3.45Å; M560-Y608 HydrophobicContact CE-CE1 4.49Å; M560-Y608 HydrophobicContact CE-CE2 3.87Å; M560-Y608 HydrophobicContact CE-CG 3.59Å; M560-Y608 HydrophobicContact CG-CD2 3.72Å; M560-Y608 HydrophobicContact CG-CG 4.08Å; M560-Y608 PolarHBondContact N-O 2.69Å; M560-Y608 PolarHBondContact O-N 3.22Å; M560-Y608 HydrophobicContact SD-CD2 4.35Å
561V92.3Very high80.8Confident3 Ų340.2 Ų40.22%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-118.5134.4169.9-177.60000108.3I546 Y573 V574 I576 I583 I605 D606 F607I546-V561 HydrophobicContact CD1-CG2 3.43Å; I546-V561 VanDerWaalsContact CD1-CG2 3.43Å; V561-Y573 CarbonylContact O-C 3.51Å; V561-Y573 VanDerWaalsContact O-CA 3.23Å; V561-Y573 WeakPolarHBondContact O-CA 3.18Å; V561-V574 PolarHBondContact N-O 2.81Å; V561-V574 PolarHBondContact O-N 3.03Å; V561-I576 HydrophobicContact CG2-CD1 3.81Å; V561-I576 HydrophobicContact CG2-CG1 4.11Å; V561-I583 HydrophobicContact CB-CD1 3.83Å; V561-I583 HydrophobicContact CG1-CD1 4.13Å; V561-I583 HydrophobicContact CG2-CD1 3.86Å; V561-I605 HydrophobicContact CG1-CG2 3.36Å; V561-D606 CarbonylContact C-O 3.26Å; V561-D606 WeakPolarHBondContact CA-O 3.31Å; V561-F607 HydrophobicContact CG2-CD1 3.73Å; V561-F607 HydrophobicContact CG2-CE1 3.87Å; V561-F607 HydrophobicContact CG2-CG 4.48Å
562T92.2Very high81Confident1 Ų138.6 Ų38.61%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-119131.4172.566.10000110M560 N564 F571 H572 I605 D606 Y608M560-T562 HydrophobicContact SD-CG2 4.44Å; T562-N564 PolarHBondContact OG1-ND2 3.02Å; T562-N564 VanDerWaalsContact OG1-ND2 3.09Å; T562-F571 HydrophobicContact CG2-CE2 4.12Å; T562-F571 HydrophobicContact CG2-CZ 3.74Å; T562-H572 CarbonylContact C-O 3.46Å; T562-H572 VanDerWaalsContact CA-O 3.31Å; T562-H572 WeakPolarHBondContact CA-O 3.38Å; T562-I605 CarbonylContact O-C 3.55Å; T562-I605 WeakPolarHBondContact O-CA 3.42Å; T562-D606 PolarHBondContact N-O 3.27Å; T562-D606 PolarHBondContact O-N 2.84Å; T562-D606 WeakPolarHBondContact OG1-CB 3.29Å; T562-Y608 HydrophobicContact CG2-CD2 4.43Å; T562-Y608 HydrophobicContact CG2-CE2 3.92Å
563L88.8Confident81.4Confident1 Ų137.1 Ų37.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-100.9126169.8175.167.6000108.6L528 Y570 F571 H572 F585 L587 I605L528-L563 HydrophobicContact CD1-CD1 3.89Å; L563-Y570 HydrophobicContact CD2-CD1 4.33Å; L563-Y570 HydrophobicContact CD2-CE1 3.61Å; L563-Y570 HydrophobicContact CG-CD1 4.47Å; L563-Y570 HydrophobicContact CG-CE1 4.11Å; L563-F571 WeakPolarHBondContact O-CA 3.35Å; L563-H572 PolarHBondContact N-O 3.27Å; L563-H572 PolarHBondContact O-N 3.26Å; L563-F585 HydrophobicContact CB-CD1 3.99Å; L563-F585 HydrophobicContact CB-CE1 4.05Å; L563-F585 HydrophobicContact CD1-CD1 4.18Å; L563-F585 HydrophobicContact CD2-CB 4.11Å; L563-F585 HydrophobicContact CD2-CD1 3.46Å; L563-F585 VanDerWaalsContact CD2-CD1 3.46Å; L563-F585 HydrophobicContact CD2-CE1 4.35Å; L563-F585 HydrophobicContact CD2-CG 4.16Å; L563-F585 HydrophobicContact CG-CD1 4.07Å; L563-L587 HydrophobicContact CD1-CD1 4.17Å; L563-L587 HydrophobicContact CD1-CD2 4.2Å; L563-L587 HydrophobicContact CD2-CD1 3.91Å; L563-L587 HydrophobicContact CD2-CD2 3.54Å; L563-L587 HydrophobicContact CD2-CG 3.52Å; L563-L587 HydrophobicContact CG-CD2 4.03Å; L563-L587 HydrophobicContact CG-CG 4.44Å; L563-I605 HydrophobicContact CD1-CD1 4.32Å; L563-I605 HydrophobicContact CD1-CG1 3.64Å
564N88Confident82.3Confident4 Ų433.4 Ų33.42%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-126.3135.6-175.9-62.6-93.1000110.6P315 T562 Y570 F571 S603 F604P315-N564 HydrophobicContact CB-CB 4.42Å; T562-N564 PolarHBondContact OG1-ND2 3.02Å; T562-N564 VanDerWaalsContact OG1-ND2 3.09Å; N564-Y570 WeakPolarHBondContact CA-O 3.49Å; N564-F571 WeakPolarHBondContact OD1-CD2 3.11Å; N564-F571 WeakPolarHBondContact OD1-CE2 3.47Å; N564-S603 WeakPolarHBondContact O-CA 3.29Å; N564-F604 HydrophobicContact CB-CD2 4Å; N564-F604 HydrophobicContact CB-CE1 4.06Å; N564-F604 HydrophobicContact CB-CE2 3.48Å; N564-F604 VanDerWaalsContact CB-CE2 3.48Å; N564-F604 HydrophobicContact CB-CG 4.49Å; N564-F604 HydrophobicContact CB-CZ 3.51Å; N564-F604 PolarHBondContact N-O 3.08Å; N564-F604 PolarHBondContact O-N 3.3Å
565T81.7Confident83.3Confident2 Ų231.6 Ų31.61%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-135.9103.3171.2-54.80000109.1W567 C568 N569 Y570 L587 S603T565-W567 HydrophobicContact CG2-CD2 3.72Å; T565-W567 HydrophobicContact CG2-CE3 4.46Å; T565-W567 HydrophobicContact CG2-CG 4.12Å; T565-W567 HydrophobicContact CG2-CH2 4.12Å; T565-W567 HydrophobicContact CG2-CZ2 3.32Å; T565-C568 WeakPolarHBondContact CG2-SG 3.3Å; T565-N569 PolarHBondContact O-N 2.83Å; T565-Y570 PolarHBondContact N-O 2.58Å; T565-Y570 PolarHBondContact O-N 2.83Å; T565-L587 WeakPolarHBondContact OG1-CD2 3.31Å; T565-S603 VanDerWaalsContact CG2-OG 3.23Å; T565-S603 WeakPolarHBondContact CG2-OG 3.19Å; T565-S603 PolarHBondContact OG1-OG 2.79Å
566I78.5Confident84.5Confident50 Ų5023.9 Ų23.926%0.25611%0.113SC..G310 helixtrans-64.9-47.3-169.5-62.7172000111.2P315 I321 C568 N569 F604P315-I566 HydrophobicContact CG-CD1 4.35Å; P315-I566 HydrophobicContact CG-CG1 4.16Å; I321-I566 HydrophobicContact CD1-CD1 4.37Å; I566-C568 PolarHBondContact O-N 3.24Å; I566-C568 VanDerWaalsContact O-N 3.14Å; I566-N569 PolarHBondContact O-N 3.43Å; I566-N569 VanDerWaalsContact O-N 3.1Å; I566-F604 HydrophobicContact CD1-CE1 3.85Å; I566-F604 HydrophobicContact CD1-CZ 4.48Å; I566-F604 HydrophobicContact CG1-CE1 4.11Å
567W72.9Confident84.9Confident84 Ų8419.6 Ų19.632%0.31810%0.101SC..G310 helixtrans-66.5-16.2-172.753.6-100.4000114.7T565 F598T565-W567 HydrophobicContact CG2-CD2 3.72Å; T565-W567 HydrophobicContact CG2-CE3 4.46Å; T565-W567 HydrophobicContact CG2-CG 4.12Å; T565-W567 HydrophobicContact CG2-CH2 4.12Å; T565-W567 HydrophobicContact CG2-CZ2 3.32Å; W567-F598 HydrophobicContact CD2-CD1 4.3Å; W567-F598 AromaticContact CD2-CE1 3.68Å; W567-F598 HydrophobicContact CD2-CE1 3.68Å; W567-F598 AromaticContact CE2-CD1 3.92Å; W567-F598 AromaticContact CE2-CE1 3.44Å; W567-F598 VanDerWaalsContact CE2-CE1 3.44Å; W567-F598 HydrophobicContact CE3-CE1 4.01Å; W567-F598 HydrophobicContact CG-CD1 4.45Å; W567-F598 HydrophobicContact CG-CE1 4.22Å; W567-F598 HydrophobicContact CH2-CE1 4.03Å; W567-F598 HydrophobicContact CZ2-CD1 4.37Å; W567-F598 AromaticContact CZ2-CE1 3.65Å; W567-F598 HydrophobicContact CZ2-CE1 3.65Å; W567-F598 HydrophobicContact CZ3-CE1 4.18Å; W567-F598 AromaticContact NE1-CD1 3.76Å; W567-F598 AromaticContact NE1-CE1 3.79Å
568C74.7Confident85Confident23 Ų2324.7 Ų24.716%0.15513%0.129CC..G310 helixtrans-121.716.1172.763.40000113.5T565 I566 Y570T565-C568 WeakPolarHBondContact CG2-SG 3.3Å; I566-C568 PolarHBondContact O-N 3.24Å; I566-C568 VanDerWaalsContact O-N 3.14Å; C568-Y570 PolarHBondContact O-N 2.86Å; C568-Y570 VanDerWaalsContact O-N 3.11Å
569N81.6Confident85.1Confident47 Ų4727.9 Ų27.925%0.25115%0.147SC..THydrogen-bonded Turntrans51.533.2-179.1-54.6-52.2000114L259 A263 T565 I566L259-N569 HydrophobicContact CD2-CB 3.3Å; A263-N569 WeakPolarHBondContact CB-O 3.44Å; T565-N569 PolarHBondContact O-N 2.83Å; I566-N569 PolarHBondContact O-N 3.43Å; I566-N569 VanDerWaalsContact O-N 3.1Å
570Y84.9Confident85Confident20 Ų2034.4 Ų34.48%0.07818%0.175CC..EExtended strand (participates in β ladder)trans-88.6129.1179.5-178.6-93.7000110.7L563 N564 T565 C568 H572 Q586 L587 P588L563-Y570 HydrophobicContact CD2-CD1 4.33Å; L563-Y570 HydrophobicContact CD2-CE1 3.61Å; L563-Y570 HydrophobicContact CG-CD1 4.47Å; L563-Y570 HydrophobicContact CG-CE1 4.11Å; N564-Y570 WeakPolarHBondContact CA-O 3.49Å; T565-Y570 PolarHBondContact N-O 2.58Å; T565-Y570 PolarHBondContact O-N 2.83Å; C568-Y570 PolarHBondContact O-N 2.86Å; C568-Y570 VanDerWaalsContact O-N 3.11Å; Y570-H572 HydrophobicContact CE1-CB 3.75Å; Y570-Q586 PolarHBondContact OH-O 3.14Å; Y570-L587 HydrophobicContact CD1-CD2 4.08Å; Y570-L587 HydrophobicContact CE1-CD2 4.2Å; Y570-P588 HydrophobicContact CD2-CG 3.41Å; Y570-P588 VanDerWaalsContact CD2-CG 3.41Å; Y570-P588 HydrophobicContact CE2-CG 3.8Å; Y570-P588 HydrophobicContact CG-CG 3.91Å
571F89.2Confident84.6Confident3 Ų335.1 Ų35.11%0.01318%0.179CC..EExtended strand (participates in β ladder)trans-137.6130.8172.7177.1-74.6000109.3S262 A263 W268 T313 L421 P422 T562 L563 N564 Y573S262-F571 CarbonylContact C-O 3.52Å; S262-F571 WeakPolarHBondContact CB-O 3.41Å; S262-F571 VanDerWaalsContact O-O 3.11Å; S262-F571 PolarHBondContact OG-O 2.62Å; A263-F571 HydrophobicContact CB-CB 4.14Å; A263-F571 PolarHBondContact N-O 3.16Å; W268-F571 AromaticContact CD1-CD1 3.75Å; W268-F571 AromaticContact CD1-CE1 3.51Å; W268-F571 HydrophobicContact CG-CE1 4.26Å; W268-F571 AromaticContact NE1-CE1 3.95Å; T313-F571 HydrophobicContact CG2-CD1 4.16Å; T313-F571 HydrophobicContact CG2-CD2 3.57Å; T313-F571 HydrophobicContact CG2-CE1 4.2Å; T313-F571 HydrophobicContact CG2-CE2 3.66Å; T313-F571 HydrophobicContact CG2-CG 3.88Å; T313-F571 HydrophobicContact CG2-CZ 3.98Å; L421-F571 HydrophobicContact CD2-CE2 4.28Å; L421-F571 HydrophobicContact CD2-CZ 4.33Å; P422-F571 HydrophobicContact CG-CE1 4.36Å; P422-F571 HydrophobicContact CG-CZ 4.41Å; T562-F571 HydrophobicContact CG2-CE2 4.12Å; T562-F571 HydrophobicContact CG2-CZ 3.74Å; L563-F571 WeakPolarHBondContact O-CA 3.35Å; N564-F571 WeakPolarHBondContact OD1-CD2 3.11Å; N564-F571 WeakPolarHBondContact OD1-CE2 3.47Å; F571-Y573 HydrophobicContact CE1-CD1 4.49Å
572H88.1Confident84.1Confident18 Ų1839.5 Ų39.58%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-139.9138.7174.4-177.5-97.1000109.4E33 T562 L563 Y570 V574E33-H572 IonicContact OE2-CD2 2.7Å; E33-H572 IonicContact OE2-CE1 3.99Å; E33-H572 IonicContact OE2-NE2 3.93Å; E33-H572 PolarHBondContact OE2-NE2 3.49Å; T562-H572 CarbonylContact C-O 3.46Å; T562-H572 VanDerWaalsContact CA-O 3.31Å; T562-H572 WeakPolarHBondContact CA-O 3.38Å; L563-H572 PolarHBondContact N-O 3.27Å; L563-H572 PolarHBondContact O-N 3.26Å; Y570-H572 HydrophobicContact CE1-CB 3.75Å; H572-V574 VanDerWaalsContact CE1-CG2 3.47Å; H572-V574 WeakPolarHBondContact CE1-CG2 3.39Å
573Y90.1Very high83.4Confident22 Ų2239.7 Ų39.79%0.08620%0.2CC..EExtended strand (participates in β ladder)trans-127.5145.7175.791.5-83.9000112.3R36 W268 P422 P424 V561 F571 P575R36-Y573 PolarHBondContact NH1-O 3.43Å; R36-Y573 PolarHBondContact NH1-OH 2.95Å; R36-Y573 PolarHBondContact NH2-O 3.31Å; W268-Y573 HydrophobicContact CB-CD1 3.77Å; W268-Y573 HydrophobicContact CB-CE1 3.53Å; W268-Y573 WeakPolarHBondContact O-CE1 3.33Å; P422-Y573 HydrophobicContact CB-CD1 3.84Å; P422-Y573 HydrophobicContact CB-CD2 4.13Å; P422-Y573 HydrophobicContact CB-CE1 3.47Å; P422-Y573 VanDerWaalsContact CB-CE1 3.47Å; P422-Y573 HydrophobicContact CB-CE2 3.85Å; P422-Y573 HydrophobicContact CB-CG 4.12Å; P422-Y573 VanDerWaalsContact CB-CZ 3.5Å; P422-Y573 HydrophobicContact CG-CD1 3.4Å; P422-Y573 HydrophobicContact CG-CD2 3.68Å; P422-Y573 HydrophobicContact CG-CE1 3.63Å; P422-Y573 HydrophobicContact CG-CE2 3.95Å; P422-Y573 HydrophobicContact CG-CG 3.38Å; P424-Y573 HydrophobicContact CB-CE2 4.42Å; P424-Y573 HydrophobicContact CG-CE2 4.28Å; V561-Y573 CarbonylContact O-C 3.51Å; V561-Y573 VanDerWaalsContact O-CA 3.23Å; V561-Y573 WeakPolarHBondContact O-CA 3.18Å; F571-Y573 HydrophobicContact CE1-CD1 4.49Å; Y573-P575 HydrophobicContact CE2-CG 4Å
574V89.3Confident82.7Confident26 Ų2642 Ų4216%0.15822%0.217CC..EExtended strand (participates in β ladder)trans-124.3125.1175.2-175.20000110.3M560 V561 H572 T581 I583M560-V574 WeakPolarHBondContact CA-O 3.49Å; V561-V574 PolarHBondContact N-O 2.81Å; V561-V574 PolarHBondContact O-N 3.03Å; H572-V574 VanDerWaalsContact CE1-CG2 3.47Å; H572-V574 WeakPolarHBondContact CE1-CG2 3.39Å; V574-T581 HydrophobicContact CG1-CG2 3.88Å; V574-I583 HydrophobicContact CB-CD1 3.89Å; V574-I583 HydrophobicContact CB-CG1 4.13Å; V574-I583 HydrophobicContact CG1-CD1 4.12Å; V574-I583 HydrophobicContact CG1-CG1 3.98Å; V574-I583 HydrophobicContact CG2-CD1 4.25Å; V574-I583 HydrophobicContact CG2-CG1 4.19Å; V574-I583 HydrophobicContact CG2-CG2 3.9Å
575P89.4Confident81.7Confident38 Ų3842.4 Ų42.425%0.24722%0.218CC..EExtended strand (participates in β ladder)trans-68.2137.9170-12.625.9000112P424 M558 Y573 G577P424-P575 HydrophobicContact CB-CB 3.78Å; P424-P575 HydrophobicContact CB-CG 4.15Å; P424-P575 HydrophobicContact CG-CB 4.5Å; M558-P575 HydrophobicContact CE-CB 3.32Å; M558-P575 HydrophobicContact CE-CG 4.49Å; M558-P575 HydrophobicContact SD-CB 4.3Å; Y573-P575 HydrophobicContact CE2-CG 4Å; P575-G577 PolarHBondContact O-N 3.29Å
576I88.1Confident80.7Confident1 Ų144.8 Ų44.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-96.574.8170.6-47.8165.6000109.1I546 G559 V561 L609 Y615I546-I576 HydrophobicContact CD1-CD1 4.34Å; I546-I576 HydrophobicContact CD1-CG1 4.48Å; I546-I576 HydrophobicContact CG2-CD1 4.38Å; I546-I576 HydrophobicContact CG2-CG2 4.12Å; G559-I576 WeakPolarHBondContact O-CA 3.32Å; G559-I576 WeakPolarHBondContact O-CB 3.3Å; G559-I576 PolarHBondContact O-N 3.22Å; V561-I576 HydrophobicContact CG2-CD1 3.81Å; V561-I576 HydrophobicContact CG2-CG1 4.11Å; I576-L609 HydrophobicContact CD1-CD2 4.02Å; I576-Y615 HydrophobicContact CD1-CE1 4.24Å; I576-Y615 HydrophobicContact CG2-CD1 4.39Å; I576-Y615 HydrophobicContact CG2-CE1 3.83Å
577G76.3Confident79.7Confident13 Ų1342.8 Ų42.813%0.13422%0.219CC..  trans-93-39.4-177.300000115R548 P575R548-G577 VanDerWaalsContact CZ-O 3.28Å; R548-G577 PolarHBondContact NH1-O 3.26Å; R548-G577 PolarHBondContact NH2-O 3.4Å; P575-G577 PolarHBondContact O-N 3.29Å
578N77.7Confident78.7Confident117 Ų11740.6 Ų40.663%0.62622%0.215SC*.SBendtrans-92.2161.5-171.6-65.1-17.5000110.6K580N578-K580 WeakPolarHBondContact CB-O 3.24Å; N578-K580 PolarHBondContact O-N 2.98Å
579D83.1Confident77.6Confident110 Ų11040.7 Ų40.759%0.58821%0.214SC*.SBendtrans-64.7-25.8179.2-61.2-20.4000112.3K547 R548K547-D579 CarbonylContact C-O 3.57Å; K547-D579 WeakPolarHBondContact CA-O 3.16Å; R548-D579 IonicContact CZ-OD1 2.67Å; R548-D579 PolarHBondContact N-O 3.42Å; R548-D579 IonicContact NH2-OD1 2.8Å; R548-D579 PolarHBondContact NH2-OD1 3.11Å
580K85Confident75.8Confident139 Ų13939.7 Ų39.760%0.60421%0.211SC*.EExtended strand (participates in β ladder)trans-129.9129.4167-59.2-172-178.3172.10108.8L545 I546 K547 N578L545-K580 HydrophobicContact CD1-CB 4.36Å; I546-K580 WeakPolarHBondContact O-CA 3.49Å; K547-K580 HydrophobicContact CG-CG 4.17Å; N578-K580 WeakPolarHBondContact CB-O 3.24Å; N578-K580 PolarHBondContact O-N 2.98Å
581T84.2Confident73.8Confident15 Ų1540 Ų409%0.09222%0.216CC..EExtended strand (participates in β ladder)trans-125.4118.8174.2-53.30000107.4I546 V574 I583I546-T581 PolarHBondContact N-O 3.29Å; I546-T581 PolarHBondContact O-N 2.85Å; V574-T581 HydrophobicContact CG1-CG2 3.88Å; T581-I583 HydrophobicContact CG2-CG1 4.27Å
582E81.6Confident71.6Confident95 Ų9542.6 Ų42.644%0.44423%0.23SC..EExtended strand (participates in β ladder)trans-97.7134.8171.8-178.7175.3-177.900108.7N543 L544 Y620N543-E582 PolarHBondContact ND2-OE1 3.11Å; L544-E582 CarbonylContact O-C 3.51Å; L544-E582 WeakPolarHBondContact O-CA 3.39Å; E582-Y620 WeakPolarHBondContact CG-OH 3.03Å; E582-Y620 PolarHBondContact OE1-OH 3.47Å; E582-Y620 PolarHBondContact OE2-OH 3.38Å; E582-Y620 VanDerWaalsContact OE2-OH 3.08Å
583I78.3Confident69.3Low6 Ų647.1 Ų47.13%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-124.3109.8179.4-52.5177.1000107.4N543 L544 I546 V561 V574 T581 F585N543-I583 CarbonylContact C-O 3.54Å; N543-I583 VanDerWaalsContact CA-O 3.3Å; N543-I583 WeakPolarHBondContact CA-O 3.47Å; L544-I583 HydrophobicContact CB-CB 4.37Å; L544-I583 PolarHBondContact N-O 3.08Å; L544-I583 PolarHBondContact O-N 3.43Å; I546-I583 HydrophobicContact CD1-CD1 3.7Å; V561-I583 HydrophobicContact CB-CD1 3.83Å; V561-I583 HydrophobicContact CG1-CD1 4.13Å; V561-I583 HydrophobicContact CG2-CD1 3.86Å; V574-I583 HydrophobicContact CB-CD1 3.89Å; V574-I583 HydrophobicContact CB-CG1 4.13Å; V574-I583 HydrophobicContact CG1-CD1 4.12Å; V574-I583 HydrophobicContact CG1-CG1 3.98Å; V574-I583 HydrophobicContact CG2-CD1 4.25Å; V574-I583 HydrophobicContact CG2-CG1 4.19Å; V574-I583 HydrophobicContact CG2-CG2 3.9Å; T581-I583 HydrophobicContact CG2-CG1 4.27Å; I583-F585 HydrophobicContact CB-CE1 4.44Å; I583-F585 HydrophobicContact CB-CE2 4.14Å; I583-F585 HydrophobicContact CB-CZ 3.93Å; I583-F585 HydrophobicContact CD1-CZ 4.42Å; I583-F585 HydrophobicContact CG2-CD1 3.86Å; I583-F585 HydrophobicContact CG2-CD2 4.35Å; I583-F585 HydrophobicContact CG2-CE1 3.4Å; I583-F585 VanDerWaalsContact CG2-CE1 3.4Å; I583-F585 HydrophobicContact CG2-CE2 3.82Å; I583-F585 HydrophobicContact CG2-CG 4.35Å; I583-F585 HydrophobicContact CG2-CZ 3.38Å
584S73.1Confident67.1Low50 Ų5051 Ų5135%0.3528%0.28SS..EExtended strand (participates in β ladder)trans-87.7110.7167.262.20000109N543 Q586N543-S584 WeakPolarHBondContact OD1-CA 3.5Å; N543-S584 WeakPolarHBondContact OD1-CB 3.42Å; S584-Q586 PolarHBondContact O-N 3.16Å
585F67.2Low65Low12 Ų1254.1 Ų54.15%0.05330%0.304CS..  trans-77.699.5175.5-60.4-74.4000109.4P542 L544 L563 I583 L587 I605P542-F585 WeakPolarHBondContact O-CD2 3.19Å; L544-F585 HydrophobicContact CB-CE2 3.72Å; L544-F585 HydrophobicContact CB-CZ 4.22Å; L544-F585 HydrophobicContact CD1-CD2 4.05Å; L544-F585 HydrophobicContact CD1-CE2 3.21Å; L544-F585 HydrophobicContact CD1-CZ 3.95Å; L544-F585 HydrophobicContact CG-CE2 3.92Å; L544-F585 HydrophobicContact CG-CZ 4.44Å; L563-F585 HydrophobicContact CB-CD1 3.99Å; L563-F585 HydrophobicContact CB-CE1 4.05Å; L563-F585 HydrophobicContact CD1-CD1 4.18Å; L563-F585 HydrophobicContact CD2-CB 4.11Å; L563-F585 HydrophobicContact CD2-CD1 3.46Å; L563-F585 VanDerWaalsContact CD2-CD1 3.46Å; L563-F585 HydrophobicContact CD2-CE1 4.35Å; L563-F585 HydrophobicContact CD2-CG 4.16Å; L563-F585 HydrophobicContact CG-CD1 4.07Å; I583-F585 HydrophobicContact CB-CE1 4.44Å; I583-F585 HydrophobicContact CB-CE2 4.14Å; I583-F585 HydrophobicContact CB-CZ 3.93Å; I583-F585 HydrophobicContact CD1-CZ 4.42Å; I583-F585 HydrophobicContact CG2-CD1 3.86Å; I583-F585 HydrophobicContact CG2-CD2 4.35Å; I583-F585 HydrophobicContact CG2-CE1 3.4Å; I583-F585 VanDerWaalsContact CG2-CE1 3.4Å; I583-F585 HydrophobicContact CG2-CE2 3.82Å; I583-F585 HydrophobicContact CG2-CG 4.35Å; I583-F585 HydrophobicContact CG2-CZ 3.38Å; F585-L587 VanDerWaalsContact C-N 3.3Å; F585-L587 HydrophobicContact CB-CD1 4.36Å; F585-L587 PolarHBondContact O-N 3.07Å; F585-I605 HydrophobicContact CD1-CD1 4.46Å; F585-I605 HydrophobicContact CD2-CD1 4.37Å; F585-I605 HydrophobicContact CE1-CD1 3.91Å; F585-I605 HydrophobicContact CE1-CG1 4.32Å; F585-I605 HydrophobicContact CE2-CD1 3.93Å; F585-I605 HydrophobicContact CZ-CD1 3.62Å; F585-I605 HydrophobicContact CZ-CG1 4.42Å
586Q60.9Low62.6Low52 Ų5258.3 Ų58.324%0.24332%0.324CS..  trans-91.775.3169.2-59.5-176.8-7.600107.4Y570 S584 Q629Y570-Q586 PolarHBondContact OH-O 3.14Å; S584-Q586 PolarHBondContact O-N 3.16Å; Q586-Q629 VanDerWaalsContact CG-NE2 3.27Å
587L57.5Low60.4Low7 Ų764.4 Ų64.44%0.03735%0.348CS..  trans-62138.3171.8-80.8146.2000108.1L528 L535 L563 T565 Y570 F585 I589L528-L587 HydrophobicContact CD1-CD1 4.47Å; L535-L587 HydrophobicContact CB-CB 4.3Å; L535-L587 HydrophobicContact CB-CD1 4.45Å; L535-L587 HydrophobicContact CD1-CD1 3.49Å; L535-L587 VanDerWaalsContact CD1-CD1 3.49Å; L535-L587 HydrophobicContact CD2-CB 4.16Å; L535-L587 HydrophobicContact CD2-CD1 3.22Å; L535-L587 HydrophobicContact CD2-CG 4.25Å; L535-L587 HydrophobicContact CG-CD1 3.8Å; L563-L587 HydrophobicContact CD1-CD1 4.17Å; L563-L587 HydrophobicContact CD1-CD2 4.2Å; L563-L587 HydrophobicContact CD2-CD1 3.91Å; L563-L587 HydrophobicContact CD2-CD2 3.54Å; L563-L587 HydrophobicContact CD2-CG 3.52Å; L563-L587 HydrophobicContact CG-CD2 4.03Å; L563-L587 HydrophobicContact CG-CG 4.44Å; T565-L587 WeakPolarHBondContact OG1-CD2 3.31Å; Y570-L587 HydrophobicContact CD1-CD2 4.08Å; Y570-L587 HydrophobicContact CE1-CD2 4.2Å; F585-L587 VanDerWaalsContact C-N 3.3Å; F585-L587 HydrophobicContact CB-CD1 4.36Å; F585-L587 PolarHBondContact O-N 3.07Å; L587-I589 HydrophobicContact CB-CD1 3.86Å; L587-I589 HydrophobicContact CB-CG1 4.26Å; L587-I589 WeakPolarHBondContact O-CD1 3.28Å; L587-I589 PolarHBondContact O-N 3.44Å
588P52.5Low59.1Low38 Ų3866 Ų6625%0.24735%0.351CS..  trans-75.9120.2172.429.4-30.7000107Y570Y570-P588 HydrophobicContact CD2-CG 3.41Å; Y570-P588 VanDerWaalsContact CD2-CG 3.41Å; Y570-P588 HydrophobicContact CE2-CG 3.8Å; Y570-P588 HydrophobicContact CG-CG 3.91Å
589I51.1Low57.8Low25 Ų2568.4 Ų68.413%0.12836%0.356CS..  trans-134143178.4-43.2103000110.3L535 S536 S537 L587L535-I589 HydrophobicContact CB-CD1 3.72Å; L535-I589 HydrophobicContact CB-CG1 3.74Å; L535-I589 WeakPolarHBondContact O-CB 3.43Å; L535-I589 WeakPolarHBondContact O-CG1 3.48Å; L535-I589 WeakPolarHBondContact O-CG2 3.35Å; S536-I589 VanDerWaalsContact CA-CB 3.44Å; S536-I589 VanDerWaalsContact N-CD1 3.34Å; S536-I589 WeakPolarHBondContact O-CD1 3.43Å; S537-I589 WeakPolarHBondContact CB-O 3.38Å; S537-I589 VanDerWaalsContact N-CD1 3.33Å; S537-I589 PolarHBondContact OG-O 2.92Å; L587-I589 HydrophobicContact CB-CD1 3.86Å; L587-I589 HydrophobicContact CB-CG1 4.26Å; L587-I589 WeakPolarHBondContact O-CD1 3.28Å; L587-I589 PolarHBondContact O-N 3.44Å
590S44.8Very low56.3Low26 Ų2670.5 Ų70.518%0.18236%0.362CS..  -160.8140.9116.153.80000109.2Q249 E703Q249-S590 PolarHBondContact NE2-O 2.61Å; Q249-S590 VanDerWaalsContact NE2-O 3.12Å; S590-E703 WeakPolarHBondContact CA-OE1 3.33Å; S590-E703 WeakPolarHBondContact CB-OE1 3.47Å
591S42.1Very low55.4Low26 Ų2665 Ų6518%0.18234%0.341CS..  trans-4.4119.9166.163.10000117.2S702 E706S591-S702 PolarHBondContact OG-OG 3.09Å; S591-E706 WeakPolarHBondContact CB-OE2 3.4Å
592I42.4Very low54.8Low59 Ų5966 Ų6630%0.30335%0.348SS..  trans-139.1134.8138.2-90.2141.1000107.2Q249 F594Q249-I592 HydrophobicContact CB-CD1 4.38Å; Q249-I592 HydrophobicContact CG-CB 4.31Å; Q249-I592 HydrophobicContact CG-CD1 3.64Å; I592-F594 VanDerWaalsContact C-N 3.34Å; I592-F594 HydrophobicContact CG2-CD2 4.01Å; I592-F594 HydrophobicContact CG2-CE2 4.13Å; I592-F594 PolarHBondContact O-N 3.4Å
593S41.4Very low54.9Low112 Ų11261.8 Ų61.878%0.78333%0.329SS*.  trans-49.478.6-176.756.60000115.1
594F43.2Very low55.3Low103 Ų10361.7 Ų61.745%0.45233%0.329SS..  trans-123.256.9166.3-85.5-71.2000110.4I592 N596 Y597 F598I592-F594 VanDerWaalsContact C-N 3.34Å; I592-F594 HydrophobicContact CG2-CD2 4.01Å; I592-F594 HydrophobicContact CG2-CE2 4.13Å; I592-F594 PolarHBondContact O-N 3.4Å; F594-N596 PolarHBondContact O-N 3.48Å; F594-Y597 HydrophobicContact CD1-CD2 4.19Å; F594-Y597 HydrophobicContact CD1-CG 4.47Å; F594-Y597 PolarHBondContact O-N 2.94Å; F594-F598 HydrophobicContact CB-CD2 4.3Å; F594-F598 HydrophobicContact CB-CE2 4.02Å; F594-F598 WeakPolarHBondContact O-CD2 3.13Å; F594-F598 PolarHBondContact O-N 3.48Å
595S44.3Very low56.1Low93 Ų9359.4 Ų59.465%0.6531%0.312SS*.THydrogen-bonded Turntrans-50.5-20.8174.557.30000113.8
596N39.4Very low57.3Low126 Ų12658.8 Ų58.867%0.67431%0.31SS*.THydrogen-bonded Turntrans-94.7-34.8175.6-67.3-16.4000114.2F594F594-N596 PolarHBondContact O-N 3.48Å
597Y42.6Very low58.8Low128 Ų12856.4 Ų56.450%0.50230%0.298SS..Hα-helixtrans-77.4-30.7-174.6-126.3-89.3000112.7F594 K599 E600F594-Y597 HydrophobicContact CD1-CD2 4.19Å; F594-Y597 HydrophobicContact CD1-CG 4.47Å; F594-Y597 PolarHBondContact O-N 2.94Å; Y597-K599 VanDerWaalsContact C-N 3.26Å; Y597-K599 PolarHBondContact O-N 3.5Å; Y597-E600 PolarHBondContact O-N 3.34Å
598F49.1Very low60.5Low47 Ų4756.2 Ų56.221%0.20630%0.297CS..Hα-helixtrans-66.9-25178.8-68.8-63.4000113.9I530 W567 F594 E600I530-F598 HydrophobicContact CD1-CB 3.83Å; I530-F598 HydrophobicContact CD1-CD1 3.5Å; I530-F598 VanDerWaalsContact CD1-CD1 3.5Å; I530-F598 HydrophobicContact CD1-CD2 4.13Å; I530-F598 HydrophobicContact CD1-CE1 4.05Å; I530-F598 HydrophobicContact CD1-CG 3.55Å; W567-F598 HydrophobicContact CD2-CD1 4.3Å; W567-F598 AromaticContact CD2-CE1 3.68Å; W567-F598 HydrophobicContact CD2-CE1 3.68Å; W567-F598 AromaticContact CE2-CD1 3.92Å; W567-F598 AromaticContact CE2-CE1 3.44Å; W567-F598 VanDerWaalsContact CE2-CE1 3.44Å; W567-F598 HydrophobicContact CE3-CE1 4.01Å; W567-F598 HydrophobicContact CG-CD1 4.45Å; W567-F598 HydrophobicContact CG-CE1 4.22Å; W567-F598 HydrophobicContact CH2-CE1 4.03Å; W567-F598 HydrophobicContact CZ2-CD1 4.37Å; W567-F598 AromaticContact CZ2-CE1 3.65Å; W567-F598 HydrophobicContact CZ2-CE1 3.65Å; W567-F598 HydrophobicContact CZ3-CE1 4.18Å; W567-F598 AromaticContact NE1-CD1 3.76Å; W567-F598 AromaticContact NE1-CE1 3.79Å; F594-F598 HydrophobicContact CB-CD2 4.3Å; F594-F598 HydrophobicContact CB-CE2 4.02Å; F594-F598 WeakPolarHBondContact O-CD2 3.13Å; F594-F598 PolarHBondContact O-N 3.48Å; F598-E600 VanDerWaalsContact C-N 3.31Å
599K49.1Very low62.3Low168 Ų16854.4 Ų54.473%0.7329%0.286SS*.Hα-helixtrans-71.6-27.8176.6-77.5-174.9176.9179.10112.5Y597Y597-K599 VanDerWaalsContact C-N 3.26Å; Y597-K599 PolarHBondContact O-N 3.5Å
600E52.5Low64.1Low154 Ų15453.6 Ų53.672%0.7228%0.282SS*.Hα-helixtrans-90.6-20.1-173.2-63.8-175.2172.400113.1Y597 F598Y597-E600 PolarHBondContact O-N 3.34Å; F598-E600 VanDerWaalsContact C-N 3.31Å
601S65.3Low66Low22 Ų2252.9 Ų52.915%0.15428%0.276CS..SBendtrans-146.266.2-178.354.90000113.5
602P73.2Confident68.1Low37 Ų3754 Ų5424%0.2428%0.28CS..  trans-59.6148177.524.7-33.3000111.6Y527 F604Y527-P602 HydrophobicContact CD1-CB 4.31Å; Y527-P602 HydrophobicContact CD1-CG 3.62Å; Y527-P602 HydrophobicContact CE1-CG 4.19Å; Y527-P602 HydrophobicContact CG-CG 4.2Å; P602-F604 WeakPolarHBondContact O-CD1 3.46Å
603S82.2Confident70.3Confident7 Ų751.3 Ų51.35%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-56.2149.4168.8-630000110.2Y527 L528 N564 T565Y527-S603 CarbonylContact C-O 3.49Å; L528-S603 PolarHBondContact N-O 3.01Å; N564-S603 WeakPolarHBondContact O-CA 3.29Å; T565-S603 VanDerWaalsContact CG2-OG 3.23Å; T565-S603 WeakPolarHBondContact CG2-OG 3.19Å; T565-S603 PolarHBondContact OG1-OG 2.79Å
604F87.1Confident72.7Confident4 Ų447.6 Ų47.62%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-146.6158.217756.7-90.4000112.8P315 R525 F526 Y527 N564 I566 P602P315-F604 HydrophobicContact CB-CE2 4.04Å; P315-F604 HydrophobicContact CB-CZ 3.53Å; P315-F604 HydrophobicContact CG-CZ 3.98Å; R525-F604 HydrophobicContact CG-CB 4.07Å; R525-F604 HydrophobicContact CG-CD2 4.23Å; R525-F604 HydrophobicContact CG-CG 4.34Å; R525-F604 VanDerWaalsContact NE-CD2 3.32Å; F526-F604 CarbonylContact O-C 3.51Å; F526-F604 WeakPolarHBondContact O-CA 3.39Å; F526-F604 VanDerWaalsContact O-CB 3.28Å; F526-F604 WeakPolarHBondContact O-CB 3.34Å; Y527-F604 HydrophobicContact CD1-CB 3.73Å; Y527-F604 HydrophobicContact CD1-CD1 4.3Å; Y527-F604 HydrophobicContact CD1-CG 4.4Å; Y527-F604 HydrophobicContact CE1-CB 4.13Å; Y527-F604 HydrophobicContact CE1-CD1 4.1Å; Y527-F604 HydrophobicContact CE1-CG 4.36Å; Y527-F604 HydrophobicContact CG-CB 4.46Å; N564-F604 HydrophobicContact CB-CD2 4Å; N564-F604 HydrophobicContact CB-CE1 4.06Å; N564-F604 HydrophobicContact CB-CE2 3.48Å; N564-F604 VanDerWaalsContact CB-CE2 3.48Å; N564-F604 HydrophobicContact CB-CG 4.49Å; N564-F604 HydrophobicContact CB-CZ 3.51Å; N564-F604 PolarHBondContact N-O 3.08Å; N564-F604 PolarHBondContact O-N 3.3Å; I566-F604 HydrophobicContact CD1-CE1 3.85Å; I566-F604 HydrophobicContact CD1-CZ 4.48Å; I566-F604 HydrophobicContact CG1-CE1 4.11Å; P602-F604 WeakPolarHBondContact O-CD1 3.46Å
605I89.9Confident75Confident1 Ų142.8 Ų42.81%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-112.2127.3173.8-65.2170.1000108.3L497 R525 F526 L528 L544 V561 T562 L563 F585 F607L497-I605 HydrophobicContact CD1-CD1 3.73Å; R525-I605 CarbonylContact C-O 3.47Å; R525-I605 WeakPolarHBondContact CA-O 3.36Å; F526-I605 PolarHBondContact N-O 3.04Å; F526-I605 PolarHBondContact O-N 3.41Å; L528-I605 HydrophobicContact CD1-CD1 3.84Å; L528-I605 HydrophobicContact CD1-CG1 3.94Å; L528-I605 HydrophobicContact CD2-CD1 4.31Å; L528-I605 HydrophobicContact CG-CD1 4.4Å; L544-I605 HydrophobicContact CD1-CD1 4.26Å; V561-I605 HydrophobicContact CG1-CG2 3.36Å; T562-I605 CarbonylContact O-C 3.55Å; T562-I605 WeakPolarHBondContact O-CA 3.42Å; L563-I605 HydrophobicContact CD1-CD1 4.32Å; L563-I605 HydrophobicContact CD1-CG1 3.64Å; F585-I605 HydrophobicContact CD1-CD1 4.46Å; F585-I605 HydrophobicContact CD2-CD1 4.37Å; F585-I605 HydrophobicContact CE1-CD1 3.91Å; F585-I605 HydrophobicContact CE1-CG1 4.32Å; F585-I605 HydrophobicContact CE2-CD1 3.93Å; F585-I605 HydrophobicContact CZ-CD1 3.62Å; F585-I605 HydrophobicContact CZ-CG1 4.42Å; I605-F607 HydrophobicContact CB-CE2 4.48Å; I605-F607 HydrophobicContact CG2-CD2 4Å; I605-F607 HydrophobicContact CG2-CE2 3.58Å; I605-F607 HydrophobicContact CG2-CZ 4.17Å
606D92.5Very high77.2Confident0 Ų040 Ų400%020%0.195CC..EExtended strand (participates in β ladder)trans-105.7132.9169.4-66.2-23.4000110.2F523 H524 R525 V561 T562 Y608F523-D606 HydrophobicContact CE2-CB 3.77Å; F523-D606 HydrophobicContact CZ-CB 4.43Å; H524-D606 CarbonylContact O-C 3.48Å; H524-D606 WeakPolarHBondContact O-CA 3.23Å; R525-D606 VanDerWaalsContact CB-OD1 3.28Å; R525-D606 WeakPolarHBondContact CB-OD1 3.05Å; R525-D606 WeakPolarHBondContact CG-OD1 3.36Å; R525-D606 IonicContact CZ-OD1 3.46Å; R525-D606 IonicContact CZ-OD2 3.64Å; R525-D606 IonicContact NE-OD1 2.71Å; R525-D606 PolarHBondContact NE-OD1 3.02Å; R525-D606 IonicContact NE-OD2 3.69Å; R525-D606 IonicContact NH2-OD1 3.34Å; R525-D606 PolarHBondContact NH2-OD1 3.34Å; R525-D606 IonicContact NH2-OD2 2.77Å; R525-D606 PolarHBondContact NH2-OD2 3.2Å; V561-D606 CarbonylContact C-O 3.26Å; V561-D606 WeakPolarHBondContact CA-O 3.31Å; T562-D606 PolarHBondContact N-O 3.27Å; T562-D606 PolarHBondContact O-N 2.84Å; T562-D606 WeakPolarHBondContact OG1-CB 3.29Å; D606-Y608 HydrophobicContact CB-CD2 4.41Å; D606-Y608 HydrophobicContact CB-CE2 3.5Å; D606-Y608 WeakPolarHBondContact CB-OH 3.3Å; D606-Y608 PolarHBondContact OD2-OH 2.85Å; D606-Y608 VanDerWaalsContact OD2-OH 3.14Å
607F92.9Very high79.6Confident1 Ų134.1 Ų34.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-101.5132.6169.7-67.7-102000108.9F523 H524 F526 L544 I546 V561 I605 L609 V617F523-F607 VanDerWaalsContact CA-O 3.31Å; F523-F607 WeakPolarHBondContact CA-O 3.23Å; H524-F607 HydrophobicContact CB-CB 4.27Å; H524-F607 PolarHBondContact N-O 2.96Å; H524-F607 VanDerWaalsContact N-O 3.11Å; H524-F607 PolarHBondContact O-N 2.86Å; F526-F607 AromaticContact CD2-CD2 3.65Å; F526-F607 HydrophobicContact CD2-CD2 3.65Å; F526-F607 AromaticContact CD2-CE2 3.41Å; F526-F607 HydrophobicContact CD2-CE2 3.41Å; F526-F607 VanDerWaalsContact CD2-CE2 3.41Å; F526-F607 AromaticContact CE2-CD2 3.67Å; F526-F607 HydrophobicContact CE2-CD2 3.67Å; F526-F607 AromaticContact CE2-CE2 3.59Å; F526-F607 HydrophobicContact CE2-CE2 3.59Å; F526-F607 HydrophobicContact CG-CE2 4.49Å; L544-F607 HydrophobicContact CD2-CE1 4.1Å; L544-F607 HydrophobicContact CD2-CE2 4.48Å; L544-F607 HydrophobicContact CD2-CZ 3.46Å; L544-F607 VanDerWaalsContact CD2-CZ 3.46Å; I546-F607 HydrophobicContact CD1-CD1 4.44Å; I546-F607 HydrophobicContact CD1-CE1 3.75Å; I546-F607 HydrophobicContact CG1-CE1 4.45Å; V561-F607 HydrophobicContact CG2-CD1 3.73Å; V561-F607 HydrophobicContact CG2-CE1 3.87Å; V561-F607 HydrophobicContact CG2-CG 4.48Å; I605-F607 HydrophobicContact CB-CE2 4.48Å; I605-F607 HydrophobicContact CG2-CD2 4Å; I605-F607 HydrophobicContact CG2-CE2 3.58Å; I605-F607 HydrophobicContact CG2-CZ 4.17Å; F607-L609 HydrophobicContact CB-CD2 4.05Å; F607-L609 HydrophobicContact CB-CG 4.13Å; F607-L609 HydrophobicContact CD1-CD2 4.09Å; F607-V617 HydrophobicContact CE1-CG1 4.38Å; F607-V617 HydrophobicContact CE1-CG2 3.95Å; F607-V617 HydrophobicContact CZ-CG1 4.18Å; F607-V617 HydrophobicContact CZ-CG2 4.45Å
608Y92.2Very high81.6Confident3 Ų328.5 Ų28.51%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-120.8100.2169-54.1-93.8000106.3L316 L384 L421 I522 F523 G559 M560 T562 D606L316-Y608 HydrophobicContact CD1-CE1 3.5Å; L316-Y608 VanDerWaalsContact CD1-CE1 3.5Å; L316-Y608 WeakPolarHBondContact CD1-OH 3.18Å; L384-Y608 HydrophobicContact CD1-CD1 4.31Å; L421-Y608 HydrophobicContact CD1-CE1 3.9Å; L421-Y608 HydrophobicContact CD1-CE2 4.42Å; I522-Y608 CarbonylContact O-C 3.55Å; I522-Y608 WeakPolarHBondContact O-CA 3.31Å; F523-Y608 AromaticContact CD2-CD1 4Å; F523-Y608 HydrophobicContact CD2-CD1 4Å; F523-Y608 AromaticContact CD2-CE1 3.6Å; F523-Y608 HydrophobicContact CD2-CE1 3.6Å; F523-Y608 AromaticContact CE2-CE1 3.83Å; F523-Y608 HydrophobicContact CE2-CE1 3.83Å; F523-Y608 AromaticContact CE2-CZ 3.84Å; G559-Y608 CarbonylContact C-O 3.4Å; G559-Y608 WeakPolarHBondContact CA-O 3.44Å; M560-Y608 HydrophobicContact CE-CD1 4.12Å; M560-Y608 HydrophobicContact CE-CD2 3.45Å; M560-Y608 VanDerWaalsContact CE-CD2 3.45Å; M560-Y608 HydrophobicContact CE-CE1 4.49Å; M560-Y608 HydrophobicContact CE-CE2 3.87Å; M560-Y608 HydrophobicContact CE-CG 3.59Å; M560-Y608 HydrophobicContact CG-CD2 3.72Å; M560-Y608 HydrophobicContact CG-CG 4.08Å; M560-Y608 PolarHBondContact N-O 2.69Å; M560-Y608 PolarHBondContact O-N 3.22Å; M560-Y608 HydrophobicContact SD-CD2 4.35Å; T562-Y608 HydrophobicContact CG2-CD2 4.43Å; T562-Y608 HydrophobicContact CG2-CE2 3.92Å; D606-Y608 HydrophobicContact CB-CD2 4.41Å; D606-Y608 HydrophobicContact CB-CE2 3.5Å; D606-Y608 WeakPolarHBondContact CB-OH 3.3Å; D606-Y608 PolarHBondContact OD2-OH 2.85Å; D606-Y608 VanDerWaalsContact OD2-OH 3.14Å
609L91.2Very high83Confident1 Ų126.8 Ų26.81%0.00514%0.136CC..  trans-97.7144.8-169.5-57.6-179000110.9F515 P517 I522 I576 F607 P611 Y615F515-L609 HydrophobicContact CB-CD1 3.62Å; F515-L609 HydrophobicContact CG-CD1 4Å; P517-L609 HydrophobicContact CB-CB 4.16Å; P517-L609 HydrophobicContact CG-CB 3.59Å; P517-L609 HydrophobicContact CG-CD1 4.05Å; P517-L609 HydrophobicContact CG-CG 4.48Å; I522-L609 PolarHBondContact O-N 3.25Å; I576-L609 HydrophobicContact CD1-CD2 4.02Å; F607-L609 HydrophobicContact CB-CD2 4.05Å; F607-L609 HydrophobicContact CB-CG 4.13Å; F607-L609 HydrophobicContact CD1-CD2 4.09Å; L609-P611 WeakPolarHBondContact O-CD 3.09Å; L609-Y615 HydrophobicContact CB-CD2 4.04Å; L609-Y615 HydrophobicContact CB-CE2 3.69Å; L609-Y615 HydrophobicContact CD1-CD2 3.98Å; L609-Y615 HydrophobicContact CD1-CE2 4.49Å; L609-Y615 HydrophobicContact CD1-CG 4.44Å; L609-Y615 HydrophobicContact CD2-CD1 4.17Å; L609-Y615 HydrophobicContact CD2-CD2 3.96Å; L609-Y615 HydrophobicContact CD2-CE1 4.24Å; L609-Y615 HydrophobicContact CD2-CE2 4.05Å; L609-Y615 HydrophobicContact CD2-CG 4Å; L609-Y615 HydrophobicContact CG-CD2 4.22Å; L609-Y615 HydrophobicContact CG-CE2 4.28Å
610D87.5Confident84.3Confident8 Ų821.6 Ų21.64%0.04311%0.112CC..  trans-76.1120170.6179.71.7000109F557 N612 C613 Y615F557-D610 HydrophobicContact CB-CB 4.34Å; F557-D610 HydrophobicContact CD1-CB 4.35Å; D610-N612 PolarHBondContact O-N 2.99Å; D610-N612 VanDerWaalsContact O-N 3.11Å; D610-N612 WeakPolarHBondContact OD1-CB 3.36Å; D610-N612 PolarHBondContact OD1-N 3.35Å; D610-N612 PolarHBondContact OD1-ND2 3.11Å; D610-C613 PolarHBondContact O-N 3Å; D610-C613 VanDerWaalsContact O-N 3.08Å; D610-Y615 VanDerWaalsContact CB-OH 3.29Å; D610-Y615 WeakPolarHBondContact CB-OH 3.25Å; D610-Y615 PolarHBondContact N-OH 2.81Å; D610-Y615 WeakPolarHBondContact O-CE2 3.33Å
611P85.7Confident85.3Confident11 Ų1115.5 Ų15.57%0.0718%0.083CC..THydrogen-bonded Turntrans-66.9-11.8-17929.2-35.9000114.5I356 P517 N518 I522 L609 C613I356-P611 HydrophobicContact CD1-CG 3.31Å; I356-P611 HydrophobicContact CG1-CG 4.07Å; P517-P611 HydrophobicContact CB-CB 4.21Å; N518-P611 VanDerWaalsContact CG-O 3.23Å; N518-P611 PolarHBondContact ND2-O 2.63Å; N518-P611 PolarHBondContact OD1-O 3.18Å; I522-P611 HydrophobicContact CG2-CB 3.99Å; I522-P611 HydrophobicContact CG2-CG 4.04Å; L609-P611 WeakPolarHBondContact O-CD 3.09Å; P611-C613 PolarHBondContact O-N 3.15Å
612N86.2Confident85.6Confident49 Ų4915.3 Ų15.326%0.2628%0.082SC..THydrogen-bonded Turntrans-78.5-1173.1-69.2-41.4000114.2C551 S552 D554 D610C551-N612 VanDerWaalsContact CA-O 3.31Å; C551-N612 WeakPolarHBondContact CA-O 3.46Å; S552-N612 PolarHBondContact N-O 3.26Å; S552-N612 VanDerWaalsContact N-O 3.11Å; S552-N612 WeakPolarHBondContact OG-CB 3.21Å; D554-N612 PolarHBondContact O-ND2 2.8Å; D610-N612 PolarHBondContact O-N 2.99Å; D610-N612 VanDerWaalsContact O-N 3.11Å; D610-N612 WeakPolarHBondContact OD1-CB 3.36Å; D610-N612 PolarHBondContact OD1-N 3.35Å; D610-N612 PolarHBondContact OD1-ND2 3.11Å
613C88.9Confident85.4Confident3 Ų317.6 Ų17.62%0.029%0.091CC..SBendtrans-129.9153.7-174.4-67.10000111.9P517 R548 C551 D610 P611 Y615P517-C613 WeakPolarHBondContact CD-O 3.33Å; R548-C613 HydrophobicContact CG-CB 3.86Å; C551-C613 HydrophobicContact CB-CB 4.26Å; C551-C613 WeakPolarHBondContact CB-SG 3.28Å; C551-C613 WeakPolarHBondContact SG-CB 3.09Å; C551-C613 CovalentContact SG-SG 2.04Å; C551-C613 PolarHBondContact SG-SG 2.83Å; D610-C613 PolarHBondContact O-N 3Å; D610-C613 VanDerWaalsContact O-N 3.08Å; P611-C613 PolarHBondContact O-N 3.15Å; C613-Y615 HydrophobicContact CB-CD2 4.49Å; C613-Y615 HydrophobicContact CB-CE2 3.71Å
614V91.2Very high85Confident34 Ų3419.8 Ų19.821%0.20610%0.102CC..EExtended strand (participates in β ladder)trans-102.4141.2168.31800000108.7F515 N516 K549 N550F515-V614 WeakPolarHBondContact O-CA 3.37Å; F515-V614 WeakPolarHBondContact O-CG1 3.45Å; N516-V614 HydrophobicContact CB-CG2 4.34Å; K549-V614 PolarHBondContact N-O 2.93Å; K549-V614 PolarHBondContact O-N 3.44Å; N550-V614 HydrophobicContact CB-CG2 4.46Å
615Y92.2Very high84.2Confident2 Ų220.5 Ų20.51%0.00811%0.107CC..EExtended strand (participates in β ladder)trans-120.2138.1-177.3-61.2-92.1000111.1T514 F515 P517 I546 K547 R548 I576 L609 D610 C613T514-Y615 CarbonylContact C-O 3.5Å; T514-Y615 VanDerWaalsContact CA-O 3.28Å; T514-Y615 WeakPolarHBondContact CA-O 3.17Å; F515-Y615 PolarHBondContact N-O 2.93Å; F515-Y615 PolarHBondContact O-N 3.05Å; P517-Y615 HydrophobicContact CG-CD2 3.98Å; P517-Y615 HydrophobicContact CG-CE2 3.95Å; I546-Y615 HydrophobicContact CG2-CD1 3.94Å; K547-Y615 CarbonylContact O-C 3.27Å; K547-Y615 WeakPolarHBondContact O-CA 3.34Å; R548-Y615 HydrophobicContact CB-CD1 4.33Å; R548-Y615 HydrophobicContact CB-CE1 4.21Å; R548-Y615 HydrophobicContact CG-CD1 4.23Å; R548-Y615 HydrophobicContact CG-CE1 3.78Å; I576-Y615 HydrophobicContact CD1-CE1 4.24Å; I576-Y615 HydrophobicContact CG2-CD1 4.39Å; I576-Y615 HydrophobicContact CG2-CE1 3.83Å; L609-Y615 HydrophobicContact CB-CD2 4.04Å; L609-Y615 HydrophobicContact CB-CE2 3.69Å; L609-Y615 HydrophobicContact CD1-CD2 3.98Å; L609-Y615 HydrophobicContact CD1-CE2 4.49Å; L609-Y615 HydrophobicContact CD1-CG 4.44Å; L609-Y615 HydrophobicContact CD2-CD1 4.17Å; L609-Y615 HydrophobicContact CD2-CD2 3.96Å; L609-Y615 HydrophobicContact CD2-CE1 4.24Å; L609-Y615 HydrophobicContact CD2-CE2 4.05Å; L609-Y615 HydrophobicContact CD2-CG 4Å; L609-Y615 HydrophobicContact CG-CD2 4.22Å; L609-Y615 HydrophobicContact CG-CE2 4.28Å; D610-Y615 VanDerWaalsContact CB-OH 3.29Å; D610-Y615 WeakPolarHBondContact CB-OH 3.25Å; D610-Y615 PolarHBondContact N-OH 2.81Å; D610-Y615 WeakPolarHBondContact O-CE2 3.33Å; C613-Y615 HydrophobicContact CB-CD2 4.49Å; C613-Y615 HydrophobicContact CB-CE2 3.71Å
616E90.5Very high83.3Confident35 Ų3522 Ų2216%0.16411%0.113CC..EExtended strand (participates in β ladder)trans-113.9118.1168-82.2172.6-165.800107.9I512 T513 T514 I546 K547 K549I512-E616 HydrophobicContact CG2-CB 3.63Å; I512-E616 HydrophobicContact CG2-CG 3.62Å; T513-E616 WeakPolarHBondContact O-CA 3.49Å; T514-E616 HydrophobicContact CG2-CG 3.82Å; I546-E616 WeakPolarHBondContact CA-O 3.31Å; K547-E616 HydrophobicContact CB-CB 4.21Å; K547-E616 PolarHBondContact N-O 3.07Å; K547-E616 PolarHBondContact O-N 3.14Å; K549-E616 WeakPolarHBondContact CE-OE1 3.47Å; K549-E616 WeakPolarHBondContact CE-OE2 3.5Å; K549-E616 IonicContact NZ-OE1 2.84Å; K549-E616 PolarHBondContact NZ-OE1 2.97Å; K549-E616 IonicContact NZ-OE2 3.69Å; K549-E616 PolarHBondContact NZ-OE2 3.45Å
617V88.6Confident82.1Confident1 Ų123.3 Ų23.31%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-109.3132.8179.5179.90000108.7I512 T513 F515 L544 L545 I546 F607I512-V617 CarbonylContact C-O 3.35Å; I512-V617 WeakPolarHBondContact CA-O 3.33Å; T513-V617 PolarHBondContact N-O 2.75Å; T513-V617 PolarHBondContact O-N 2.98Å; T513-V617 PolarHBondContact OG1-O 3.46Å; F515-V617 HydrophobicContact CD2-CB 4.49Å; F515-V617 HydrophobicContact CD2-CG2 3.82Å; F515-V617 HydrophobicContact CE2-CB 4.01Å; F515-V617 HydrophobicContact CE2-CG2 3.69Å; L544-V617 HydrophobicContact CD2-CG1 3.52Å; L544-V617 HydrophobicContact CG-CG1 4.25Å; L545-V617 WeakPolarHBondContact O-CA 3.27Å; I546-V617 HydrophobicContact CG1-CG2 4.28Å; I546-V617 HydrophobicContact CG2-CG2 4.4Å; F607-V617 HydrophobicContact CE1-CG1 4.38Å; F607-V617 HydrophobicContact CE1-CG2 3.95Å; F607-V617 HydrophobicContact CZ-CG1 4.18Å; F607-V617 HydrophobicContact CZ-CG2 4.45Å
618S84.7Confident81.1Confident11 Ų1123.5 Ų23.58%0.07712%0.12CC..EExtended strand (participates in β ladder)trans-140.6138.8-179.855.70000109.7S510 L545S510-S618 WeakPolarHBondContact OG-CB 3.12Å; L545-S618 WeakPolarHBondContact CB-OG 3.35Å; L545-S618 PolarHBondContact N-O 2.73Å; L545-S618 PolarHBondContact O-N 3.03Å; L545-S618 PolarHBondContact O-OG 3.35Å
619V79.8Confident79.9Confident11 Ų1124 Ų247%0.06712%0.123CC..EExtended strand (participates in β ladder)trans-110.6125.7-177.7-176.40000109.6L497 S510 P542 N543 L544L497-V619 HydrophobicContact CD2-CG2 3.45Å; L497-V619 VanDerWaalsContact CD2-CG2 3.45Å; S510-V619 WeakPolarHBondContact CB-O 3.37Å; S510-V619 PolarHBondContact OG-O 3.13Å; P542-V619 HydrophobicContact CB-CG1 3.7Å; N543-V619 WeakPolarHBondContact O-CA 3.37Å; L544-V619 HydrophobicContact CD1-CG2 4.04Å; L544-V619 HydrophobicContact CG-CG2 4.18Å
620Y75.9Confident78.7Confident59 Ų5924.7 Ų24.723%0.23113%0.126CC..EExtended strand (participates in β ladder)trans-142.1169.4178.568.2-75.4000111.4N543 L545 E582N543-Y620 HydrophobicContact CB-CD1 4.17Å; N543-Y620 HydrophobicContact CB-CD2 4.39Å; N543-Y620 HydrophobicContact CB-CE1 3.75Å; N543-Y620 HydrophobicContact CB-CE2 4.05Å; N543-Y620 HydrophobicContact CB-CG 4.48Å; N543-Y620 PolarHBondContact N-O 2.88Å; N543-Y620 WeakPolarHBondContact O-CD1 3.4Å; N543-Y620 PolarHBondContact O-N 3.45Å; L545-Y620 HydrophobicContact CB-CD1 4.25Å; L545-Y620 HydrophobicContact CB-CE1 3.64Å; E582-Y620 WeakPolarHBondContact CG-OH 3.03Å; E582-Y620 PolarHBondContact OE1-OH 3.47Å; E582-Y620 PolarHBondContact OE2-OH 3.38Å; E582-Y620 VanDerWaalsContact OE2-OH 3.08Å
621Y72.8Confident77.7Confident25 Ų2525.7 Ų25.710%0.09813%0.131CC..  trans-113128.4-179.5-69.9-99.3000109.1Y499 I540 P542Y499-Y621 AromaticContact CD2-CE2 3.69Å; Y499-Y621 HydrophobicContact CD2-CE2 3.69Å; Y499-Y621 HydrophobicContact CE2-CD2 4.18Å; Y499-Y621 AromaticContact CE2-CE2 3.14Å; Y499-Y621 HydrophobicContact CE2-CE2 3.14Å; Y499-Y621 AromaticContact CE2-CZ 3.49Å; Y499-Y621 VanDerWaalsContact CE2-CZ 3.49Å; Y499-Y621 WeakPolarHBondContact CE2-OH 3.17Å; Y499-Y621 AromaticContact CZ-CE2 3.96Å; Y499-Y621 AromaticContact CZ-CZ 3.88Å; I540-Y621 HydrophobicContact CB-CD1 3.94Å; I540-Y621 HydrophobicContact CG2-CD1 3.57Å; I540-Y621 HydrophobicContact CG2-CG 4.29Å; I540-Y621 WeakPolarHBondContact O-CE1 3.01Å; P542-Y621 HydrophobicContact CB-CE1 4.37Å
622S72.2Confident76.9Confident19 Ų1927.6 Ų27.613%0.13314%0.137CC..  trans-106113.9178.6173.90000110.3N543 I624 S625 W626N543-S622 VanDerWaalsContact ND2-CB 3.31Å; N543-S622 WeakPolarHBondContact ND2-CB 3.48Å; S622-I624 PolarHBondContact O-N 3Å; S622-I624 PolarHBondContact OG-N 2.79Å; S622-S625 VanDerWaalsContact CB-OG 3.28Å; S622-S625 WeakPolarHBondContact CB-OG 3.09Å; S622-S625 PolarHBondContact O-N 3.37Å; S622-S625 PolarHBondContact OG-N 2.94Å; S622-S625 VanDerWaalsContact OG-N 3.12Å; S622-S625 PolarHBondContact OG-OG 2.8Å; S622-W626 PolarHBondContact O-N 3.02Å
623L70.2Confident75.8Confident84 Ų8427 Ų2744%0.4413%0.134SC..Hα-helixtrans-60.6-37.1173-72.1173.1000111.2Y506 I540 W626 F627Y506-L623 HydrophobicContact CD1-CG 4.5Å; Y506-L623 HydrophobicContact CE1-CD2 4.18Å; Y506-L623 HydrophobicContact CE1-CG 4.46Å; I540-L623 HydrophobicContact CD1-CD2 4.27Å; L623-W626 HydrophobicContact CD2-CE3 3.98Å; L623-W626 HydrophobicContact CD2-CZ3 4.3Å; L623-W626 WeakPolarHBondContact O-CB 3.44Å; L623-W626 PolarHBondContact O-N 2.96Å; L623-F627 WeakPolarHBondContact O-CD2 3.39Å; L623-F627 PolarHBondContact O-N 2.92Å
624I72.2Confident74.6Confident53 Ų5328.2 Ų28.227%0.27214%0.139SC..Hα-helixtrans-64.1-45.4178.7-64.3164.8000110.2H27 S622 W626 F627 S628H27-I624 HydrophobicContact CB-CG2 3.83Å; S622-I624 PolarHBondContact O-N 3Å; S622-I624 PolarHBondContact OG-N 2.79Å; I624-W626 VanDerWaalsContact C-N 3.29Å; I624-W626 PolarHBondContact O-N 3.21Å; I624-F627 PolarHBondContact O-N 2.85Å; I624-S628 VanDerWaalsContact O-CB 3.26Å; I624-S628 WeakPolarHBondContact O-CB 3.3Å; I624-S628 PolarHBondContact O-N 3.26Å; I624-S628 PolarHBondContact O-OG 3.43Å
625S70.1Confident73.1Confident19 Ų1929.7 Ų29.713%0.13315%0.15CC..Hα-helixtrans-63.8-36.6177.1-55.40000111.4N543 S622 S628 Q629N543-S625 PolarHBondContact ND2-OG 2.85Å; S622-S625 VanDerWaalsContact CB-OG 3.28Å; S622-S625 WeakPolarHBondContact CB-OG 3.09Å; S622-S625 PolarHBondContact O-N 3.37Å; S622-S625 PolarHBondContact OG-N 2.94Å; S622-S625 VanDerWaalsContact OG-N 3.12Å; S622-S625 PolarHBondContact OG-OG 2.8Å; S625-S628 WeakPolarHBondContact O-CB 3.48Å; S625-S628 PolarHBondContact O-N 2.71Å; S625-Q629 WeakPolarHBondContact O-CG 3.32Å; S625-Q629 PolarHBondContact O-N 2.95Å
626W71.3Confident71.1Confident33 Ų3332.7 Ų32.713%0.12517%0.169CC..Hα-helixtrans-65.4-52.1174.3176.446.6000113.3S538 I540 S622 L623 I624 S628 Q629 L630S538-W626 PolarHBondContact O-NE1 2.89Å; I540-W626 HydrophobicContact CB-CB 4.32Å; I540-W626 HydrophobicContact CB-CG 4.39Å; I540-W626 HydrophobicContact CD1-CB 4.04Å; I540-W626 HydrophobicContact CD1-CD2 3.68Å; I540-W626 HydrophobicContact CD1-CE3 3.76Å; I540-W626 HydrophobicContact CD1-CG 3.85Å; I540-W626 HydrophobicContact CD1-CZ3 4.4Å; I540-W626 HydrophobicContact CG1-CB 3.71Å; I540-W626 HydrophobicContact CG1-CD2 3.66Å; I540-W626 HydrophobicContact CG1-CE3 4.27Å; I540-W626 HydrophobicContact CG1-CG 3.41Å; I540-W626 VanDerWaalsContact CG1-CG 3.41Å; I540-W626 HydrophobicContact CG2-CB 4.13Å; S622-W626 PolarHBondContact O-N 3.02Å; L623-W626 HydrophobicContact CD2-CE3 3.98Å; L623-W626 HydrophobicContact CD2-CZ3 4.3Å; L623-W626 WeakPolarHBondContact O-CB 3.44Å; L623-W626 PolarHBondContact O-N 2.96Å; I624-W626 VanDerWaalsContact C-N 3.29Å; I624-W626 PolarHBondContact O-N 3.21Å; W626-S628 PolarHBondContact O-N 3.22Å; W626-Q629 WeakPolarHBondContact O-CA 2.9Å; W626-Q629 WeakPolarHBondContact O-CB 3.43Å; W626-Q629 PolarHBondContact O-N 2.87Å; W626-L630 HydrophobicContact CD2-CD1 4.08Å; W626-L630 HydrophobicContact CG-CD1 4.48Å; W626-L630 HydrophobicContact CH2-CD1 4.43Å; W626-L630 HydrophobicContact CZ2-CD1 3.73Å; W626-L630 PolarHBondContact O-N 2.96Å
627F68.9Low69.3Low28 Ų2836.6 Ų36.612%0.12319%0.187CC..Hα-helixtrans-59.4-37177-82.9-70.2000111L20 L21 S24 L623 I624 Q629 L630 I631L20-F627 HydrophobicContact CD2-CD2 3.58Å; L20-F627 HydrophobicContact CD2-CE2 3.76Å; L20-F627 HydrophobicContact CD2-CG 4.07Å; L20-F627 HydrophobicContact CD2-CZ 4.36Å; L21-F627 HydrophobicContact CD2-CD1 3.94Å; L21-F627 HydrophobicContact CD2-CE1 4.34Å; S24-F627 WeakPolarHBondContact OG-CB 3.32Å; L623-F627 WeakPolarHBondContact O-CD2 3.39Å; L623-F627 PolarHBondContact O-N 2.92Å; I624-F627 PolarHBondContact O-N 2.85Å; F627-Q629 VanDerWaalsContact C-N 3.31Å; F627-Q629 PolarHBondContact O-N 3.32Å; F627-L630 PolarHBondContact O-N 3.08Å; F627-I631 WeakPolarHBondContact O-CB 2.86Å; F627-I631 WeakPolarHBondContact O-CG1 3.44Å; F627-I631 PolarHBondContact O-N 2.79Å
628S70.4Confident67.5Low4 Ų439.9 Ų39.93%0.02820%0.201CC..Hα-helixtrans-56.8-42.9172-63.70000112.2S24 I624 S625 W626 R632S24-S628 PolarHBondContact O-OG 2.62Å; I624-S628 VanDerWaalsContact O-CB 3.26Å; I624-S628 WeakPolarHBondContact O-CB 3.3Å; I624-S628 PolarHBondContact O-N 3.26Å; I624-S628 PolarHBondContact O-OG 3.43Å; S625-S628 WeakPolarHBondContact O-CB 3.48Å; S625-S628 PolarHBondContact O-N 2.71Å; W626-S628 PolarHBondContact O-N 3.22Å; S628-R632 WeakPolarHBondContact O-CB 3.33Å; S628-R632 PolarHBondContact O-N 3.41Å
629Q68.5Low65.7Low15 Ų1541.7 Ų41.77%0.0722%0.217CC..Hα-helixtrans-71.8-40.6178.4-71.5-68.968.600113.6Q586 S625 W626 F627 I631 R632 L633Q586-Q629 VanDerWaalsContact CG-NE2 3.27Å; S625-Q629 WeakPolarHBondContact O-CG 3.32Å; S625-Q629 PolarHBondContact O-N 2.95Å; W626-Q629 WeakPolarHBondContact O-CA 2.9Å; W626-Q629 WeakPolarHBondContact O-CB 3.43Å; W626-Q629 PolarHBondContact O-N 2.87Å; F627-Q629 VanDerWaalsContact C-N 3.31Å; F627-Q629 PolarHBondContact O-N 3.32Å; Q629-I631 VanDerWaalsContact C-N 3.31Å; Q629-I631 PolarHBondContact O-N 2.78Å; Q629-R632 VanDerWaalsContact CD-CZ 3.46Å; Q629-R632 WeakPolarHBondContact O-CB 3.02Å; Q629-R632 PolarHBondContact O-N 3.22Å; Q629-R632 VanDerWaalsContact OE1-NH1 3.14Å; Q629-L633 PolarHBondContact O-N 3.2Å
630L66.1Low64.3Low15 Ų1543.6 Ų43.68%0.07924%0.239CC..Hα-helixtrans-60.9-43.6172.9-73.1176.4000111.1W626 F627 H634W626-L630 HydrophobicContact CD2-CD1 4.08Å; W626-L630 HydrophobicContact CG-CD1 4.48Å; W626-L630 HydrophobicContact CH2-CD1 4.43Å; W626-L630 HydrophobicContact CZ2-CD1 3.73Å; W626-L630 PolarHBondContact O-N 2.96Å; F627-L630 PolarHBondContact O-N 3.08Å; L630-H634 WeakPolarHBondContact O-CA 3.3Å; L630-H634 VanDerWaalsContact O-CB 3.31Å; L630-H634 WeakPolarHBondContact O-CB 3.46Å; L630-H634 PolarHBondContact O-N 3.31Å
631I66.5Low63.1Low28 Ų2844.2 Ų44.214%0.14425%0.246CC..Hα-helixtrans-61.2-48.7173.4-68.6165.3000109.1L21 F627 Q629 L633 H634 C635L21-I631 HydrophobicContact CD2-CD1 4.47Å; F627-I631 WeakPolarHBondContact O-CB 2.86Å; F627-I631 WeakPolarHBondContact O-CG1 3.44Å; F627-I631 PolarHBondContact O-N 2.79Å; Q629-I631 VanDerWaalsContact C-N 3.31Å; Q629-I631 PolarHBondContact O-N 2.78Å; I631-L633 VanDerWaalsContact C-N 3.31Å; I631-L633 PolarHBondContact O-N 2.86Å; I631-H634 PolarHBondContact O-N 2.82Å; I631-C635 HydrophobicContact CG2-CB 4.31Å; I631-C635 VanDerWaalsContact O-CA 3.28Å; I631-C635 WeakPolarHBondContact O-CA 2.96Å; I631-C635 WeakPolarHBondContact O-CB 3.45Å; I631-C635 PolarHBondContact O-N 2.84Å
632R67.2Low62.1Low52 Ų5247.2 Ų47.220%0.19626%0.263CS..Hα-helixtrans-53-46.2-179.8-174-179.876.4-1801.5113.4W28 S628 Q629W28-R632 HydrophobicContact CZ2-CB 4.23Å; W28-R632 HydrophobicContact CZ2-CG 3.82Å; S628-R632 WeakPolarHBondContact O-CB 3.33Å; S628-R632 PolarHBondContact O-N 3.41Å; Q629-R632 VanDerWaalsContact CD-CZ 3.46Å; Q629-R632 WeakPolarHBondContact O-CB 3.02Å; Q629-R632 PolarHBondContact O-N 3.22Å; Q629-R632 VanDerWaalsContact OE1-NH1 3.14Å
633L63.4Low61Low36 Ų3649.9 Ų49.919%0.18828%0.281CS..Hα-helixtrans-87.7-29.9-173.6-65.5167.9000113.2P241 S537 Q629 I631P241-L633 HydrophobicContact CB-CD2 4.25Å; P241-L633 HydrophobicContact CG-CD2 4.34Å; S537-L633 VanDerWaalsContact CB-CD1 3.49Å; S537-L633 WeakPolarHBondContact O-CD1 3.37Å; Q629-L633 PolarHBondContact O-N 3.2Å; I631-L633 VanDerWaalsContact C-N 3.31Å; I631-L633 PolarHBondContact O-N 2.86Å
634H63.4Low60.2Low28 Ų2847.9 Ų47.913%0.1328%0.281CS..Hα-helixtrans-119.412.4-173-52.4-69.3000113.6L630 I631 T636 H637 F638 F694 S698L630-H634 WeakPolarHBondContact O-CA 3.3Å; L630-H634 VanDerWaalsContact O-CB 3.31Å; L630-H634 WeakPolarHBondContact O-CB 3.46Å; L630-H634 PolarHBondContact O-N 3.31Å; I631-H634 PolarHBondContact O-N 2.82Å; H634-T636 PolarHBondContact O-N 3.38Å; H634-H637 HydrophobicContact CB-CB 4.43Å; H634-H637 AromaticContact ND1-CD2 3.9Å; H634-H637 CarbonylContact O-C 3.45Å; H634-H637 PolarHBondContact O-N 2.9Å; H634-H637 VanDerWaalsContact O-N 3.08Å; H634-F638 VanDerWaalsContact O-CB 3.31Å; H634-F638 WeakPolarHBondContact O-CB 3.18Å; H634-F638 PolarHBondContact O-N 3.27Å; H634-F694 HydrophobicContact CB-CZ 4.39Å; H634-S698 PolarHBondContact CE1-O 3.13Å
635C61.2Low59.4Low65 Ų6548.5 Ų48.544%0.43928%0.282SS..Hα-helixtrans-55-37.6179-173.20000111.7I631 F638 A639I631-C635 HydrophobicContact CG2-CB 4.31Å; I631-C635 VanDerWaalsContact O-CA 3.28Å; I631-C635 WeakPolarHBondContact O-CA 2.96Å; I631-C635 WeakPolarHBondContact O-CB 3.45Å; I631-C635 PolarHBondContact O-N 2.84Å; C635-F638 WeakPolarHBondContact O-CB 3.48Å; C635-F638 PolarHBondContact O-N 3Å; C635-A639 PolarHBondContact O-N 3.45Å
636T49.9Very low58.4Low66 Ų6652.1 Ų52.141%0.40530%0.3SS..Hα-helixtrans-65.8-44.1178.851.10000111.3I198 H634 G640I198-T636 HydrophobicContact CD1-CG2 4.2Å; I198-T636 HydrophobicContact CG1-CG2 3.91Å; H634-T636 PolarHBondContact O-N 3.38Å; T636-G640 PolarHBondContact O-N 2.67Å
637H51.9Low57.6Low116 Ų11654.7 Ų54.754%0.53732%0.319SS..Hα-helixtrans-66.5-38.2172.3-59.1-68.6000111.9H634 A639 G640 L641H634-H637 HydrophobicContact CB-CB 4.43Å; H634-H637 AromaticContact ND1-CD2 3.9Å; H634-H637 CarbonylContact O-C 3.45Å; H634-H637 PolarHBondContact O-N 2.9Å; H634-H637 VanDerWaalsContact O-N 3.08Å; H637-A639 PolarHBondContact O-N 3.29Å; H637-G640 PolarHBondContact O-N 2.8Å; H637-L641 WeakPolarHBondContact O-CB 3.38Å; H637-L641 WeakPolarHBondContact O-CD1 3Å; H637-L641 WeakPolarHBondContact O-CG 3.44Å; H637-L641 PolarHBondContact O-N 2.92Å
638F50.3Low57Low70 Ų7057.5 Ų57.531%0.30734%0.335SS..Hα-helixtrans-64.4-39.8-179.9-171.9-96.3000111.8L21 H634 C635 L641 L642L21-F638 HydrophobicContact CD1-CZ 4.11Å; H634-F638 VanDerWaalsContact O-CB 3.31Å; H634-F638 WeakPolarHBondContact O-CB 3.18Å; H634-F638 PolarHBondContact O-N 3.27Å; C635-F638 WeakPolarHBondContact O-CB 3.48Å; C635-F638 PolarHBondContact O-N 3Å; F638-L641 PolarHBondContact O-N 2.83Å; F638-L642 HydrophobicContact CE1-CD1 4.25Å; F638-L642 HydrophobicContact CZ-CD1 4.4Å; F638-L642 VanDerWaalsContact O-CB 3.28Å; F638-L642 WeakPolarHBondContact O-CB 3.49Å; F638-L642 PolarHBondContact O-N 2.86Å
639A47.9Very low56.2Low50 Ų5060.3 Ų60.341%0.41335%0.354SS..Hα-helixtrans-64.8-44.1176.300000112C635 H637 L641 L642 C643C635-A639 PolarHBondContact O-N 3.45Å; H637-A639 PolarHBondContact O-N 3.29Å; A639-L641 VanDerWaalsContact C-N 3.32Å; A639-L641 PolarHBondContact O-N 3.43Å; A639-L642 PolarHBondContact O-N 2.95Å; A639-C643 WeakPolarHBondContact O-CB 3.27Å; A639-C643 PolarHBondContact O-N 3.23Å
640G50.9Low55.5Low51 Ų5164.9 Ų64.953%0.52638%0.378SS..Hα-helixtrans-60.3-42.5174.800000112.2T636 H637 G644T636-G640 PolarHBondContact O-N 2.67Å; H637-G640 PolarHBondContact O-N 2.8Å; G640-G644 PolarHBondContact O-N 3.45Å
641L50.2Low54.9Low71 Ų7167.9 Ų67.937%0.37240%0.397SS..Hα-helixtrans-68.4-42.9176.2-74.8161.5000112.7H637 F638 A639 C643 G644 H645 F694H637-L641 WeakPolarHBondContact O-CB 3.38Å; H637-L641 WeakPolarHBondContact O-CD1 3Å; H637-L641 WeakPolarHBondContact O-CG 3.44Å; H637-L641 PolarHBondContact O-N 2.92Å; F638-L641 PolarHBondContact O-N 2.83Å; A639-L641 VanDerWaalsContact C-N 3.32Å; A639-L641 PolarHBondContact O-N 3.43Å; L641-C643 VanDerWaalsContact C-N 3.33Å; L641-C643 PolarHBondContact O-N 3.14Å; L641-G644 CarbonylContact O-C 3.53Å; L641-G644 PolarHBondContact O-N 2.78Å; L641-H645 WeakPolarHBondContact O-CB 3.47Å; L641-H645 PolarHBondContact O-CD2 2.79Å; L641-H645 PolarHBondContact O-N 2.81Å; L641-F694 HydrophobicContact CD1-CD2 3.32Å; L641-F694 HydrophobicContact CD1-CE2 3.31Å; L641-F694 HydrophobicContact CD1-CG 4.4Å; L641-F694 HydrophobicContact CD1-CZ 4.4Å
642L50.4Low54.3Low88 Ų8869.8 Ų69.846%0.46141%0.407SS..Hα-helixtrans-62.6-42.9175.9-167.688.2000110.4F638 A639 H645 L646F638-L642 HydrophobicContact CE1-CD1 4.25Å; F638-L642 HydrophobicContact CZ-CD1 4.4Å; F638-L642 VanDerWaalsContact O-CB 3.28Å; F638-L642 WeakPolarHBondContact O-CB 3.49Å; F638-L642 PolarHBondContact O-N 2.86Å; A639-L642 PolarHBondContact O-N 2.95Å; L642-H645 PolarHBondContact O-N 2.78Å; L642-L646 HydrophobicContact CD2-CD1 4.24Å; L642-L646 HydrophobicContact CG-CD1 4.22Å; L642-L646 WeakPolarHBondContact O-CB 3.41Å; L642-L646 VanDerWaalsContact O-CG 3.26Å; L642-L646 WeakPolarHBondContact O-CG 3.29Å; L642-L646 PolarHBondContact O-N 3.2Å
643C50.8Low53.6Low76 Ų7672 Ų7251%0.51442%0.422SS..Hα-helixtrans-61.4-46.6172-87.50000111.4A639 L641 H645 L646 V647A639-C643 WeakPolarHBondContact O-CB 3.27Å; A639-C643 PolarHBondContact O-N 3.23Å; L641-C643 VanDerWaalsContact C-N 3.33Å; L641-C643 PolarHBondContact O-N 3.14Å; C643-H645 VanDerWaalsContact C-N 3.31Å; C643-H645 PolarHBondContact O-N 3.06Å; C643-L646 PolarHBondContact O-N 2.91Å; C643-V647 WeakPolarHBondContact O-CB 3.43Å; C643-V647 VanDerWaalsContact O-CG2 3.22Å; C643-V647 WeakPolarHBondContact O-CG2 3.17Å; C643-V647 PolarHBondContact O-N 3Å
644G52.4Low53Low42 Ų4273.8 Ų73.843%0.43343%0.434SS..Hα-helixtrans-56.9-44.4174.700000112.1G640 L641 L648G640-G644 PolarHBondContact O-N 3.45Å; L641-G644 CarbonylContact O-C 3.53Å; L641-G644 PolarHBondContact O-N 2.78Å; G644-L648 VanDerWaalsContact O-CB 3.22Å; G644-L648 WeakPolarHBondContact O-CB 3.3Å; G644-L648 PolarHBondContact O-N 2.86Å
645H55.4Low52.4Low66 Ų6677.9 Ų77.931%0.30645%0.452SS..Hα-helixtrans-66.5-42.2175.7-82-61.6000112.9L641 L642 C643 L648 S649L641-H645 WeakPolarHBondContact O-CB 3.47Å; L641-H645 PolarHBondContact O-CD2 2.79Å; L641-H645 PolarHBondContact O-N 2.81Å; L642-H645 PolarHBondContact O-N 2.78Å; C643-H645 VanDerWaalsContact C-N 3.31Å; C643-H645 PolarHBondContact O-N 3.06Å; H645-L648 PolarHBondContact O-N 3.08Å; H645-S649 WeakPolarHBondContact O-CB 3.25Å; H645-S649 PolarHBondContact O-N 3Å; H645-S649 PolarHBondContact O-OG 3.15Å
646L50Low51.8Low95 Ų9581.9 Ų81.950%0.49746%0.458SS..Hα-helixtrans-66.3-43.2177.2-77.3170.6000111L642 C643 S649 L650L642-L646 HydrophobicContact CD2-CD1 4.24Å; L642-L646 HydrophobicContact CG-CD1 4.22Å; L642-L646 WeakPolarHBondContact O-CB 3.41Å; L642-L646 VanDerWaalsContact O-CG 3.26Å; L642-L646 WeakPolarHBondContact O-CG 3.29Å; L642-L646 PolarHBondContact O-N 3.2Å; C643-L646 PolarHBondContact O-N 2.91Å; L646-S649 PolarHBondContact O-N 3.15Å; L646-L650 VanDerWaalsContact O-CB 3.25Å; L646-L650 WeakPolarHBondContact O-CB 3.27Å; L646-L650 VanDerWaalsContact O-CG 3.23Å; L646-L650 WeakPolarHBondContact O-CG 2.99Å; L646-L650 PolarHBondContact O-N 3.44Å
647V54.8Low51.6Low87 Ų8784.2 Ų84.253%0.52747%0.467SS..Hα-helixtrans-62.4-48.5174.9170.60000109.9C643 S649 L650 V651C643-V647 WeakPolarHBondContact O-CB 3.43Å; C643-V647 VanDerWaalsContact O-CG2 3.22Å; C643-V647 WeakPolarHBondContact O-CG2 3.17Å; C643-V647 PolarHBondContact O-N 3Å; V647-S649 VanDerWaalsContact C-N 3.32Å; V647-S649 PolarHBondContact O-N 3.17Å; V647-L650 PolarHBondContact O-N 2.91Å; V647-V651 HydrophobicContact CG1-CG2 4.32Å; V647-V651 WeakPolarHBondContact O-CB 3.36Å; V647-V651 WeakPolarHBondContact O-CG2 3.38Å; V647-V651 PolarHBondContact O-N 3.1Å
648L55.9Low51.4Low87 Ų8784.2 Ų84.246%0.45547%0.47SS..Hα-helixtrans-59.9-44.3176.4-17467.2000111.1G644 H645 V651 I652G644-L648 VanDerWaalsContact O-CB 3.22Å; G644-L648 WeakPolarHBondContact O-CB 3.3Å; G644-L648 PolarHBondContact O-N 2.86Å; H645-L648 PolarHBondContact O-N 3.08Å; L648-V651 PolarHBondContact O-N 3.1Å; L648-I652 HydrophobicContact CD1-CD1 4.29Å; L648-I652 HydrophobicContact CG-CD1 3.92Å; L648-I652 WeakPolarHBondContact O-CB 3.46Å; L648-I652 WeakPolarHBondContact O-CD1 3.21Å; L648-I652 WeakPolarHBondContact O-CG1 3.42Å; L648-I652 PolarHBondContact O-N 3.08Å
649S53.7Low51.2Low62 Ų6283.6 Ų83.643%0.43447%0.474SS..Hα-helixtrans-63.9-41.3177.6-600000112H645 L646 V647 I652 L653H645-S649 WeakPolarHBondContact O-CB 3.25Å; H645-S649 PolarHBondContact O-N 3Å; H645-S649 PolarHBondContact O-OG 3.15Å; L646-S649 PolarHBondContact O-N 3.15Å; V647-S649 VanDerWaalsContact C-N 3.32Å; V647-S649 PolarHBondContact O-N 3.17Å; S649-I652 PolarHBondContact O-N 3.11Å; S649-L653 WeakPolarHBondContact O-CB 3.38Å; S649-L653 PolarHBondContact O-N 2.9Å
650L52.1Low51Low111 Ų11187.1 Ų87.158%0.58148%0.481SS*.Hα-helixtrans-66.8-40.7175.7-79.1166.3000111.9L646 V647 I652 L653 T654L646-L650 VanDerWaalsContact O-CB 3.25Å; L646-L650 WeakPolarHBondContact O-CB 3.27Å; L646-L650 VanDerWaalsContact O-CG 3.23Å; L646-L650 WeakPolarHBondContact O-CG 2.99Å; L646-L650 PolarHBondContact O-N 3.44Å; V647-L650 PolarHBondContact O-N 2.91Å; L650-I652 VanDerWaalsContact C-N 3.29Å; L650-I652 PolarHBondContact O-N 2.75Å; L650-L653 PolarHBondContact O-N 3.2Å; L650-T654 WeakPolarHBondContact O-CB 3.45Å; L650-T654 WeakPolarHBondContact O-CG2 2.98Å; L650-T654 PolarHBondContact O-N 3.45Å; L650-T654 PolarHBondContact O-OG1 3.34Å
651V55.1Low50.5Low78 Ų7891.7 Ų91.747%0.47349%0.493SS..Hα-helixtrans-62.1-40.1174.3169.50000110.4V647 L648 T654 F655V647-V651 HydrophobicContact CG1-CG2 4.32Å; V647-V651 WeakPolarHBondContact O-CB 3.36Å; V647-V651 WeakPolarHBondContact O-CG2 3.38Å; V647-V651 PolarHBondContact O-N 3.1Å; L648-V651 PolarHBondContact O-N 3.1Å; V651-T654 WeakPolarHBondContact CA-OG1 3.31Å; V651-T654 PolarHBondContact O-OG1 3.47Å; V651-F655 PolarHBondContact O-N 2.93Å; V651-F655 VanDerWaalsContact O-N 3.11Å
652I53.3Low50.4Low68 Ų6895.5 Ų95.535%0.34951%0.509SS..Hα-helixtrans-71.9-37.6176-65.3163.3000111.5L648 S649 L650 F655 R656L648-I652 HydrophobicContact CD1-CD1 4.29Å; L648-I652 HydrophobicContact CG-CD1 3.92Å; L648-I652 WeakPolarHBondContact O-CB 3.46Å; L648-I652 WeakPolarHBondContact O-CD1 3.21Å; L648-I652 WeakPolarHBondContact O-CG1 3.42Å; L648-I652 PolarHBondContact O-N 3.08Å; S649-I652 PolarHBondContact O-N 3.11Å; L650-I652 VanDerWaalsContact C-N 3.29Å; L650-I652 PolarHBondContact O-N 2.75Å; I652-F655 VanDerWaalsContact O-CB 3.31Å; I652-F655 WeakPolarHBondContact O-CB 3.41Å; I652-F655 PolarHBondContact O-N 3.41Å; I652-R656 PolarHBondContact O-N 3.12Å; I652-R656 VanDerWaalsContact O-N 3.11Å
653L52.1Low49.8Very low100 Ų10097.8 Ų97.852%0.52452%0.522SS..Hα-helixtrans-68.3-37.7177.5-125.9128.2000112.3S649 L650 F655 R656 L657S649-L653 WeakPolarHBondContact O-CB 3.38Å; S649-L653 PolarHBondContact O-N 2.9Å; L650-L653 PolarHBondContact O-N 3.2Å; L653-F655 VanDerWaalsContact C-N 3.34Å; L653-R656 WeakPolarHBondContact O-CB 3.5Å; L653-R656 PolarHBondContact O-N 3.46Å; L653-L657 PolarHBondContact O-N 3.02Å; L653-L657 VanDerWaalsContact O-N 3.09Å
654T51.7Low49.2Very low72 Ų72101.7 Ų101.744%0.44253%0.532SS..Hα-helixtrans-66.4-36.8173.147.80000111.3L650 V651 R656 L657 I658L650-T654 WeakPolarHBondContact O-CB 3.45Å; L650-T654 WeakPolarHBondContact O-CG2 2.98Å; L650-T654 PolarHBondContact O-N 3.45Å; L650-T654 PolarHBondContact O-OG1 3.34Å; V651-T654 WeakPolarHBondContact CA-OG1 3.31Å; V651-T654 PolarHBondContact O-OG1 3.47Å; T654-R656 VanDerWaalsContact C-N 3.33Å; T654-R656 PolarHBondContact O-N 3.44Å; T654-L657 PolarHBondContact O-N 3.09Å; T654-I658 WeakPolarHBondContact O-CD1 2.99Å; T654-I658 VanDerWaalsContact O-CG1 3.28Å; T654-I658 WeakPolarHBondContact O-CG1 3.25Å; T654-I658 PolarHBondContact O-N 3.34Å
655F51.2Low48.2Very low115 Ų115107.1 Ų107.150%0.50455%0.55SS.*Hα-helixtrans-57.1-44169.9-170.7-92.3000112.2V651 I652 L653 I658 S659V651-F655 PolarHBondContact O-N 2.93Å; V651-F655 VanDerWaalsContact O-N 3.11Å; I652-F655 VanDerWaalsContact O-CB 3.31Å; I652-F655 WeakPolarHBondContact O-CB 3.41Å; I652-F655 PolarHBondContact O-N 3.41Å; L653-F655 VanDerWaalsContact C-N 3.34Å; F655-I658 PolarHBondContact O-N 3.01Å; F655-S659 PolarHBondContact O-N 3.29Å
656R47.1Very low47.1Very low149 Ų149109.9 Ų109.956%0.56257%0.572SS**Hα-helixtrans-63.6-40.8176.9-170.9-179.2-176.7-1752.1113.2I652 L653 T654 I658 S659 F660I652-R656 PolarHBondContact O-N 3.12Å; I652-R656 VanDerWaalsContact O-N 3.11Å; L653-R656 WeakPolarHBondContact O-CB 3.5Å; L653-R656 PolarHBondContact O-N 3.46Å; T654-R656 VanDerWaalsContact C-N 3.33Å; T654-R656 PolarHBondContact O-N 3.44Å; R656-I658 VanDerWaalsContact C-N 3.35Å; R656-S659 PolarHBondContact O-N 3.04Å; R656-S659 PolarHBondContact O-OG 3.42Å; R656-F660 WeakPolarHBondContact O-CB 3.21Å; R656-F660 PolarHBondContact O-N 3.34Å
657L46.1Very low46.4Very low114 Ų114110.4 Ų110.460%0.59758%0.583SS**Hα-helixtrans-69.1-34.6178.8-74.9167.6000112.2L653 T654 N661L653-L657 PolarHBondContact O-N 3.02Å; L653-L657 VanDerWaalsContact O-N 3.09Å; T654-L657 PolarHBondContact O-N 3.09Å; L657-N661 PolarHBondContact O-N 3.46Å
658I49Very low45.4Very low116 Ų116114.9 Ų114.960%0.59560%0.603SS**Hα-helixtrans-69.4-40.7174.6-66165.4000110.3T654 F655 R656T654-I658 WeakPolarHBondContact O-CD1 2.99Å; T654-I658 VanDerWaalsContact O-CG1 3.28Å; T654-I658 WeakPolarHBondContact O-CG1 3.25Å; T654-I658 PolarHBondContact O-N 3.34Å; F655-I658 PolarHBondContact O-N 3.01Å; R656-I658 VanDerWaalsContact C-N 3.35Å
659S45.6Very low44.4Very low57 Ų57113.8 Ų113.840%0.39960%0.602SS.*Hα-helixtrans-71.1-33.3177.986.90000113.3F655 R656F655-S659 PolarHBondContact O-N 3.29Å; R656-S659 PolarHBondContact O-N 3.04Å; R656-S659 PolarHBondContact O-OG 3.42Å
660F42.5Very low43.7Very low125 Ų125121 Ų12155%0.54862%0.621SS.*Hα-helixtrans-74.1-27.8-179.4-124.3-90.4000113.6R656 E662R656-F660 WeakPolarHBondContact O-CB 3.21Å; R656-F660 PolarHBondContact O-N 3.34Å; F660-E662 PolarHBondContact O-N 3.49Å
661N42.2Very low43Very low146 Ų146123 Ų12378%0.78163%0.628SS**THydrogen-bonded Turntrans-75.1-12.1178.1-98.2-4.1000113.5L657L657-N661 PolarHBondContact O-N 3.46Å
662E46.1Very low42.4Very low152 Ų152124.4 Ų124.471%0.7163%0.632SS**THydrogen-bonded Turntrans-91.6-22.3175.9-67.8-168.7158.400112.9F660F660-E662 PolarHBondContact O-N 3.49Å
663D39.8Very low41.8Very low136 Ų136127.5 Ų127.573%0.72764%0.644SS**  trans-107.361-178.8-76-25.3000112.9
664H38.1Very low41.2Very low158 Ų158127.7 Ų127.773%0.73164%0.642SS**  trans-117.476.9158.3-102.4-57.1000110.8
665L31.1Very low40.9Very low155 Ų155127.5 Ų127.581%0.81264%0.643SS**SBendtrans-162.598.3138.7-100144.4000109.3
666T32Very low40.6Very low125 Ų125125.2 Ų125.277%0.76764%0.636SS**SBendtrans91.3126.115371.40000120.8
667S34.5Very low40.4Very low105 Ų105119.5 Ų119.573%0.73462%0.616SS**  trans77.793.4162.973.30000118.6S669S667-S669 PolarHBondContact O-N 2.83Å
668I33.4Very low40.4Very low181 Ų181120.1 Ų120.193%0.92862%0.616SS**  trans-64.3108.1160.9-63.4163.4000107.6
669S36.2Very low40.4Very low65 Ų65120 Ų12046%0.45561%0.613SS.*  trans-116.4148.8172.577.70000111.5S667 H671 N672S667-S669 PolarHBondContact O-N 2.83Å; S669-H671 PolarHBondContact O-N 3.46Å; S669-N672 PolarHBondContact O-N 2.81Å; S669-N672 VanDerWaalsContact O-N 3.14Å
670Y38Very low40.4Very low212 Ų212121.1 Ų121.183%0.83161%0.613SS**THydrogen-bonded Turntrans-52.8-18.5-171.5-139-101.8000114.7F673Y670-F673 PolarHBondContact O-N 3.38Å
671H37.6Very low40.6Very low154 Ų154117.7 Ų117.771%0.71360%0.597SS**Hα-helixtrans-69.1-29178.1-94.7-65000114.3S669 F673 Q674S669-H671 PolarHBondContact O-N 3.46Å; H671-F673 PolarHBondContact O-N 2.77Å; H671-Q674 PolarHBondContact O-N 2.78Å
672N43Very low40.9Very low107 Ų107116.1 Ų116.157%0.57258%0.581SS**Hα-helixtrans-68.5-23.1178-79.8-1.3000112.5S669 I676S669-N672 PolarHBondContact O-N 2.81Å; S669-N672 VanDerWaalsContact O-N 3.14Å; N672-I676 VanDerWaalsContact O-CD1 3.27Å; N672-I676 WeakPolarHBondContact O-CD1 3.43Å; N672-I676 VanDerWaalsContact O-CG1 3.22Å; N672-I676 WeakPolarHBondContact O-CG1 3.46Å; N672-I676 PolarHBondContact O-N 3.41Å
673F40.5Very low41.1Very low134 Ų134112.3 Ų112.359%0.58856%0.563SS**Hα-helixtrans-79.1-31.6178.9-123.5-88.1000113.1Y670 H671 I677Y670-F673 PolarHBondContact O-N 3.38Å; H671-F673 PolarHBondContact O-N 2.77Å; F673-I677 HydrophobicContact CD1-CD1 4.37Å; F673-I677 WeakPolarHBondContact O-CD1 3.49Å; F673-I677 WeakPolarHBondContact O-CG1 3.32Å; F673-I677 PolarHBondContact O-N 3.32Å
674Q39.1Very low41.5Very low103 Ų103108.1 Ų108.148%0.48154%0.539SS..Hα-helixtrans-71-38.2178.5-150.897-500111.6H671 I677 H678H671-Q674 PolarHBondContact O-N 2.78Å; Q674-I677 PolarHBondContact O-N 2.98Å; Q674-H678 PolarHBondContact O-N 3.21Å; Q674-H678 VanDerWaalsContact O-N 3.09Å
675S46.4Very low42Very low68 Ų68102.9 Ų102.948%0.47652%0.523SS..Hα-helixtrans-63.5-43.8174.71640000111.6I677 H678 E679S675-I677 VanDerWaalsContact C-N 3.3Å; S675-I677 PolarHBondContact O-N 3.39Å; S675-H678 PolarHBondContact O-N 3.04Å; S675-E679 PolarHBondContact O-N 2.64Å
676I43.4Very low42.8Very low67 Ų6797.9 Ų97.934%0.34450%0.499SS..Hα-helixtrans-60.8-38.3175.6-68.1166.1000111.5N672 I680N672-I676 VanDerWaalsContact O-CD1 3.27Å; N672-I676 WeakPolarHBondContact O-CD1 3.43Å; N672-I676 VanDerWaalsContact O-CG1 3.22Å; N672-I676 WeakPolarHBondContact O-CG1 3.46Å; N672-I676 PolarHBondContact O-N 3.41Å; I676-I680 HydrophobicContact CG2-CD1 3.8Å; I676-I680 HydrophobicContact CG2-CG1 4.49Å; I676-I680 WeakPolarHBondContact O-CD1 3.41Å; I676-I680 WeakPolarHBondContact O-CG1 3.33Å; I676-I680 PolarHBondContact O-N 3.14Å
677I43.6Very low43.4Very low30 Ų3095.7 Ų95.715%0.15449%0.485CS..Hα-helixtrans-70-42.6179.3-70.3165.2000111.6Y3 F673 Q674 S675 E679 I680 Y681Y3-I677 HydrophobicContact CD1-CD1 3.54Å; Y3-I677 HydrophobicContact CE1-CD1 3.94Å; Y3-I677 HydrophobicContact CG-CD1 4.05Å; F673-I677 HydrophobicContact CD1-CD1 4.37Å; F673-I677 WeakPolarHBondContact O-CD1 3.49Å; F673-I677 WeakPolarHBondContact O-CG1 3.32Å; F673-I677 PolarHBondContact O-N 3.32Å; Q674-I677 PolarHBondContact O-N 2.98Å; S675-I677 VanDerWaalsContact C-N 3.3Å; S675-I677 PolarHBondContact O-N 3.39Å; I677-E679 VanDerWaalsContact C-N 3.35Å; I677-I680 PolarHBondContact O-N 2.7Å; I677-Y681 HydrophobicContact CG2-CD2 3.75Å; I677-Y681 HydrophobicContact CG2-CE2 3.39Å; I677-Y681 WeakPolarHBondContact O-CD2 3.3Å; I677-Y681 PolarHBondContact O-N 3.22Å; I677-Y681 VanDerWaalsContact O-N 3.07Å
678H47.3Very low44Very low126 Ų12694.7 Ų94.758%0.58347%0.471SS*.Hα-helixtrans-63.9-38.4175.1-91.425.8000112.4Q674 S675 Y681 Y682Q674-H678 PolarHBondContact O-N 3.21Å; Q674-H678 VanDerWaalsContact O-N 3.09Å; S675-H678 PolarHBondContact O-N 3.04Å; H678-Y681 PolarHBondContact O-N 3.48Å; H678-Y682 WeakPolarHBondContact O-CB 3.34Å; H678-Y682 PolarHBondContact O-N 2.79Å
679E48.4Very low44.8Very low115 Ų11588.7 Ų88.754%0.53744%0.44SS..Hα-helixtrans-70.9-33.8175.8-74.3-159.3158.500113.1S675 I677 Y682 H683S675-E679 PolarHBondContact O-N 2.64Å; I677-E679 VanDerWaalsContact C-N 3.35Å; E679-Y682 WeakPolarHBondContact O-CB 3.39Å; E679-Y682 PolarHBondContact O-N 3.01Å; E679-H683 WeakPolarHBondContact O-CB 3.29Å; E679-H683 PolarHBondContact O-CD2 2.8Å; E679-H683 PolarHBondContact O-N 3.18Å
680I45.2Very low45.2Very low80 Ų8089.6 Ų89.641%0.4144%0.437SS..Hα-helixtrans-63.1-43.3171.7-71165000110.7I676 I677 Y682 H683 Q684I676-I680 HydrophobicContact CG2-CD1 3.8Å; I676-I680 HydrophobicContact CG2-CG1 4.49Å; I676-I680 WeakPolarHBondContact O-CD1 3.41Å; I676-I680 WeakPolarHBondContact O-CG1 3.33Å; I676-I680 PolarHBondContact O-N 3.14Å; I677-I680 PolarHBondContact O-N 2.7Å; I680-Y682 VanDerWaalsContact C-N 3.33Å; I680-Y682 PolarHBondContact O-N 2.8Å; I680-H683 PolarHBondContact O-N 3.08Å; I680-Q684 HydrophobicContact CG2-CG 4.36Å; I680-Q684 WeakPolarHBondContact O-CB 3.04Å; I680-Q684 WeakPolarHBondContact O-CG 3.45Å; I680-Q684 PolarHBondContact O-N 2.79Å
681Y47Very low45.5Very low52 Ų5284 Ų8420%0.20442%0.417CS..Hα-helixtrans-64.1-37.9174.4-75.1-59.8000112.4Y10 I677 H678 Q684 A685 Y732Y10-Y681 HydrophobicContact CE2-CE1 4.49Å; I677-Y681 HydrophobicContact CG2-CD2 3.75Å; I677-Y681 HydrophobicContact CG2-CE2 3.39Å; I677-Y681 WeakPolarHBondContact O-CD2 3.3Å; I677-Y681 PolarHBondContact O-N 3.22Å; I677-Y681 VanDerWaalsContact O-N 3.07Å; H678-Y681 PolarHBondContact O-N 3.48Å; Y681-Q684 VanDerWaalsContact CD1-OE1 3.31Å; Y681-Q684 PolarHBondContact O-N 3.5Å; Y681-A685 WeakPolarHBondContact O-CB 3.46Å; Y681-A685 PolarHBondContact O-N 3.26Å; Y681-Y732 HydrophobicContact CD1-CE1 4.12Å; Y681-Y732 HydrophobicContact CE1-CE1 4.16Å; Y681-Y732 WeakPolarHBondContact CE1-OH 3.31Å; Y681-Y732 VanDerWaalsContact CZ-OH 3.32Å; Y681-Y732 PolarHBondContact OH-OH 3.13Å
682Y49.2Very low45.9Very low114 Ų11479.8 Ų79.845%0.44740%0.4SS..Hα-helixtrans-60.9-47.4173.4-179.7-97.4000111.6H678 E679 I680 Q684 A685 V686H678-Y682 WeakPolarHBondContact O-CB 3.34Å; H678-Y682 PolarHBondContact O-N 2.79Å; E679-Y682 WeakPolarHBondContact O-CB 3.39Å; E679-Y682 PolarHBondContact O-N 3.01Å; I680-Y682 VanDerWaalsContact C-N 3.33Å; I680-Y682 PolarHBondContact O-N 2.8Å; Y682-Q684 PolarHBondContact O-N 3.33Å; Y682-A685 PolarHBondContact O-N 3.33Å; Y682-V686 HydrophobicContact CE1-CG2 4.26Å; Y682-V686 WeakPolarHBondContact O-CG2 3.41Å; Y682-V686 PolarHBondContact O-N 3.49Å
683H49.3Very low46.2Very low71 Ų7175.6 Ų75.633%0.32938%0.379SS..Hα-helixtrans-66-37.1176.5-73.2-55000112.8E679 I680 V686 V687E679-H683 WeakPolarHBondContact O-CB 3.29Å; E679-H683 PolarHBondContact O-CD2 2.8Å; E679-H683 PolarHBondContact O-N 3.18Å; I680-H683 PolarHBondContact O-N 3.08Å; H683-V686 PolarHBondContact O-N 2.77Å; H683-V687 WeakPolarHBondContact O-CB 3.34Å; H683-V687 VanDerWaalsContact O-CG2 3.31Å; H683-V687 WeakPolarHBondContact O-CG2 3.47Å; H683-V687 PolarHBondContact O-N 3.03Å
684Q47.5Very low46.3Very low49 Ų4970.8 Ų70.823%0.22936%0.358CS..Hα-helixtrans-62.8-44.4173.8-75.8173-3.800111.6I680 Y681 Y682 V687 L688I680-Q684 HydrophobicContact CG2-CG 4.36Å; I680-Q684 WeakPolarHBondContact O-CB 3.04Å; I680-Q684 WeakPolarHBondContact O-CG 3.45Å; I680-Q684 PolarHBondContact O-N 2.79Å; Y681-Q684 VanDerWaalsContact CD1-OE1 3.31Å; Y681-Q684 PolarHBondContact O-N 3.5Å; Y682-Q684 PolarHBondContact O-N 3.33Å; Q684-V687 PolarHBondContact O-N 3.16Å; Q684-L688 VanDerWaalsContact O-CB 3.22Å; Q684-L688 WeakPolarHBondContact O-CB 3.33Å; Q684-L688 PolarHBondContact O-N 3.43Å
685A49.4Very low46.6Very low48 Ų4867.8 Ų67.840%0.39734%0.344SS..Hα-helixtrans-62.6-43.8176.400000111.2Y681 Y682 L688 I689Y681-A685 WeakPolarHBondContact O-CB 3.46Å; Y681-A685 PolarHBondContact O-N 3.26Å; Y682-A685 PolarHBondContact O-N 3.33Å; A685-L688 PolarHBondContact O-N 3.47Å; A685-I689 WeakPolarHBondContact O-CB 3.15Å; A685-I689 WeakPolarHBondContact O-CD1 3.48Å; A685-I689 WeakPolarHBondContact O-CG1 3.48Å; A685-I689 PolarHBondContact O-N 3.03Å
686V47.3Very low46.4Very low49 Ų4968.1 Ų68.130%0.29734%0.34SS..Hα-helixtrans-65.2-42.6179.2173.30000112.1Y682 H683 H690Y682-V686 HydrophobicContact CE1-CG2 4.26Å; Y682-V686 WeakPolarHBondContact O-CG2 3.41Å; Y682-V686 PolarHBondContact O-N 3.49Å; H683-V686 PolarHBondContact O-N 2.77Å; V686-H690 WeakPolarHBondContact O-CB 3.48Å; V686-H690 PolarHBondContact O-N 3.3Å; V686-H690 PolarHBondContact O-ND1 3.13Å
687V45.6Very low46.4Very low79 Ų7969.1 Ų69.148%0.47935%0.345SS..Hα-helixtrans-66.9-42.2177.1170.10000111.4H683 Q684 H690 F691H683-V687 WeakPolarHBondContact O-CB 3.34Å; H683-V687 VanDerWaalsContact O-CG2 3.31Å; H683-V687 WeakPolarHBondContact O-CG2 3.47Å; H683-V687 PolarHBondContact O-N 3.03Å; Q684-V687 PolarHBondContact O-N 3.16Å; V687-H690 PolarHBondContact O-N 3.4Å; V687-F691 VanDerWaalsContact O-CB 3.3Å; V687-F691 WeakPolarHBondContact O-CB 3.18Å; V687-F691 PolarHBondContact O-N 2.95Å
688L47.1Very low46.2Very low85 Ų8568.5 Ų68.545%0.44534%0.343SS..Hα-helixtrans-71.2-35.8-179.4-153.2131.4000111.3Q684 A685 F691 L692Q684-L688 VanDerWaalsContact O-CB 3.22Å; Q684-L688 WeakPolarHBondContact O-CB 3.33Å; Q684-L688 PolarHBondContact O-N 3.43Å; A685-L688 PolarHBondContact O-N 3.47Å; L688-F691 PolarHBondContact O-N 2.9Å; L688-L692 HydrophobicContact CD2-CD1 3.69Å; L688-L692 HydrophobicContact CD2-CG 4.45Å; L688-L692 VanDerWaalsContact O-CB 3.26Å; L688-L692 WeakPolarHBondContact O-CB 3.47Å; L688-L692 VanDerWaalsContact O-CG 3.24Å; L688-L692 WeakPolarHBondContact O-CG 3.02Å; L688-L692 PolarHBondContact O-N 3.39Å
689I48.8Very low45.9Very low54 Ų5463 Ų6328%0.27732%0.318SS..Hα-helixtrans-66.5-39.6170.3-70.2166.3000110.9A685 S693A685-I689 WeakPolarHBondContact O-CB 3.15Å; A685-I689 WeakPolarHBondContact O-CD1 3.48Å; A685-I689 WeakPolarHBondContact O-CG1 3.48Å; A685-I689 PolarHBondContact O-N 3.03Å; I689-S693 WeakPolarHBondContact O-CB 3.28Å; I689-S693 PolarHBondContact O-N 3.29Å; I689-S693 PolarHBondContact O-OG 2.63Å
690H45.4Very low45.6Very low84 Ų8460.3 Ų60.339%0.38931%0.31SS..Hα-helixtrans-69.7-34.2175.5-8664.5000113V686 V687 S693 F694V686-H690 WeakPolarHBondContact O-CB 3.48Å; V686-H690 PolarHBondContact O-N 3.3Å; V686-H690 PolarHBondContact O-ND1 3.13Å; V687-H690 PolarHBondContact O-N 3.4Å; H690-S693 VanDerWaalsContact CA-OG 3.29Å; H690-S693 WeakPolarHBondContact CA-OG 3.42Å; H690-S693 PolarHBondContact O-OG 3.48Å; H690-F694 VanDerWaalsContact O-CB 3.27Å; H690-F694 WeakPolarHBondContact O-CB 3.26Å; H690-F694 PolarHBondContact O-N 3.33Å
691F44.5Very low45.4Very low94 Ų9461.4 Ų61.441%0.41231%0.313SS..Hα-helixtrans-73.9-38.7175.7-174.6-97.4000111.8V687 L688 F694 Q695V687-F691 VanDerWaalsContact O-CB 3.3Å; V687-F691 WeakPolarHBondContact O-CB 3.18Å; V687-F691 PolarHBondContact O-N 2.95Å; L688-F691 PolarHBondContact O-N 2.9Å; F691-F694 WeakPolarHBondContact O-CB 3.42Å; F691-F694 PolarHBondContact O-N 3.24Å; F691-Q695 PolarHBondContact O-N 3.11Å
692L46.9Very low45.2Very low66 Ų6661.9 Ų61.935%0.34632%0.324SS..Hα-helixtrans-69.2-38.1171.9-76.4167.7000111.8L688 F694 Q695 L696L688-L692 HydrophobicContact CD2-CD1 3.69Å; L688-L692 HydrophobicContact CD2-CG 4.45Å; L688-L692 VanDerWaalsContact O-CB 3.26Å; L688-L692 WeakPolarHBondContact O-CB 3.47Å; L688-L692 VanDerWaalsContact O-CG 3.24Å; L688-L692 WeakPolarHBondContact O-CG 3.02Å; L688-L692 PolarHBondContact O-N 3.39Å; L692-F694 VanDerWaalsContact C-N 3.33Å; L692-Q695 PolarHBondContact O-N 2.04Å; L692-L696 PolarHBondContact O-N 3.08Å
693S47.6Very low45Very low19 Ų1956.6 Ų56.613%0.13330%0.303CS..Hα-helixtrans-67-37172.673.40000110.5I689 H690 Q695 L696 I697I689-S693 WeakPolarHBondContact O-CB 3.28Å; I689-S693 PolarHBondContact O-N 3.29Å; I689-S693 PolarHBondContact O-OG 2.63Å; H690-S693 VanDerWaalsContact CA-OG 3.29Å; H690-S693 WeakPolarHBondContact CA-OG 3.42Å; H690-S693 PolarHBondContact O-OG 3.48Å; S693-Q695 PolarHBondContact O-N 3.35Å; S693-L696 CarbonylContact O-C 3.6Å; S693-L696 WeakPolarHBondContact O-CA 3.48Å; S693-L696 WeakPolarHBondContact O-CB 3.33Å; S693-L696 PolarHBondContact O-N 3.03Å; S693-I697 VanDerWaalsContact O-CB 3.23Å; S693-I697 WeakPolarHBondContact O-CB 3.4Å; S693-I697 VanDerWaalsContact O-CD1 3.3Å; S693-I697 WeakPolarHBondContact O-CD1 3.36Å; S693-I697 WeakPolarHBondContact O-CG1 3.23Å; S693-I697 PolarHBondContact O-N 3.04Å
694F43.9Very low44.8Very low34 Ų3455 Ų5515%0.14929%0.294CS..Hα-helixtrans-58.5-45.2171.7176.9-104.3000112.4H634 L641 H690 F691 L692 L696 I697 S698H634-F694 HydrophobicContact CB-CZ 4.39Å; L641-F694 HydrophobicContact CD1-CD2 3.32Å; L641-F694 HydrophobicContact CD1-CE2 3.31Å; L641-F694 HydrophobicContact CD1-CG 4.4Å; L641-F694 HydrophobicContact CD1-CZ 4.4Å; H690-F694 VanDerWaalsContact O-CB 3.27Å; H690-F694 WeakPolarHBondContact O-CB 3.26Å; H690-F694 PolarHBondContact O-N 3.33Å; F691-F694 WeakPolarHBondContact O-CB 3.42Å; F691-F694 PolarHBondContact O-N 3.24Å; L692-F694 VanDerWaalsContact C-N 3.33Å; F694-L696 PolarHBondContact O-N 3.48Å; F694-I697 PolarHBondContact O-N 2.82Å; F694-I697 VanDerWaalsContact O-N 3.13Å; F694-S698 WeakPolarHBondContact O-CB 3.35Å; F694-S698 PolarHBondContact O-N 2.86Å; F694-S698 PolarHBondContact O-OG 3.27Å
695Q44.1Very low44.6Very low39 Ų3955.6 Ų55.618%0.18230%0.298CS..Hα-helixtrans-60.5-26.8174-75.8-88.2-26.900113.3F691 L692 S693F691-Q695 PolarHBondContact O-N 3.11Å; L692-Q695 PolarHBondContact O-N 2.04Å; S693-Q695 PolarHBondContact O-N 3.35Å
696L43.7Very low44.3Very low75 Ų7556 Ų5639%0.39329%0.292SS..Hα-helixtrans-87.7-29.4175-71.3162.7000112.9L692 S693 F694L692-L696 PolarHBondContact O-N 3.08Å; S693-L696 CarbonylContact O-C 3.6Å; S693-L696 WeakPolarHBondContact O-CA 3.48Å; S693-L696 WeakPolarHBondContact O-CB 3.33Å; S693-L696 PolarHBondContact O-N 3.03Å; F694-L696 PolarHBondContact O-N 3.48Å
697I41.6Very low44.2Very low89 Ų8953.8 Ų53.846%0.45628%0.278SS..Hα-helixtrans-86.9-29.4-175.4-70.3162.3000111.7S693 F694 L699 P748S693-I697 VanDerWaalsContact O-CB 3.23Å; S693-I697 WeakPolarHBondContact O-CB 3.4Å; S693-I697 VanDerWaalsContact O-CD1 3.3Å; S693-I697 WeakPolarHBondContact O-CD1 3.36Å; S693-I697 WeakPolarHBondContact O-CG1 3.23Å; S693-I697 PolarHBondContact O-N 3.04Å; F694-I697 PolarHBondContact O-N 2.82Å; F694-I697 VanDerWaalsContact O-N 3.13Å; I697-L699 PolarHBondContact O-N 3.2Å; I697-P748 HydrophobicContact CD1-CG 4.44Å; I697-P748 HydrophobicContact CG1-CG 4.22Å
698S40.2Very low43.9Very low16 Ų1655.5 Ų55.511%0.11228%0.281CS..SBendtrans-80.5-4.8178.862.80000113.6H634 F694H634-S698 PolarHBondContact CE1-O 3.13Å; F694-S698 WeakPolarHBondContact O-CB 3.35Å; F694-S698 PolarHBondContact O-N 2.86Å; F694-S698 PolarHBondContact O-OG 3.27Å
699L40.7Very low43.5Very low12 Ų1258.8 Ų58.86%0.06329%0.294CS..SBendtrans-83.8125.7165-74.3160.6000107.7S538 I697 F701 E703 W704 L707S538-L699 WeakPolarHBondContact OG-CD2 3.39Å; I697-L699 PolarHBondContact O-N 3.2Å; L699-F701 PolarHBondContact O-N 2.92Å; L699-E703 HydrophobicContact CD2-CB 4.09Å; L699-E703 WeakPolarHBondContact CD2-OE2 3.35Å; L699-W704 HydrophobicContact CB-CB 4.34Å; L699-L707 HydrophobicContact CD1-CD1 3.87Å; L699-L707 HydrophobicContact CD2-CD1 3.91Å
700P41.8Very low43.1Very low57 Ų5759.5 Ų59.537%0.3730%0.301SS..  trans-46.1134.7161.1-21.330.7000108.6S702 E703 W704P700-S702 PolarHBondContact O-N 3.34Å; P700-E703 HydrophobicContact CB-CG 4.27Å; P700-E703 WeakPolarHBondContact CD-OE2 3.19Å; P700-E703 HydrophobicContact CG-CG 4.1Å; P700-E703 PolarHBondContact O-N 2.87Å; P700-W704 PolarHBondContact O-N 3.24Å; P700-W704 VanDerWaalsContact O-N 3.15Å
701F41.5Very low42.4Very low104 Ų10457.6 Ų57.646%0.45630%0.304SS..Hα-helixtrans-54-30-176.4-175.1-108.7000112.2L699 W704 I705L699-F701 PolarHBondContact O-N 2.92Å; F701-W704 PolarHBondContact O-N 2.9Å; F701-I705 HydrophobicContact CD1-CD1 3.77Å; F701-I705 HydrophobicContact CE1-CD1 3.42Å; F701-I705 VanDerWaalsContact CE1-CD1 3.42Å; F701-I705 HydrophobicContact CE1-CG1 4.28Å; F701-I705 HydrophobicContact CZ-CD1 3.95Å; F701-I705 HydrophobicContact CZ-CG1 4.42Å; F701-I705 WeakPolarHBondContact O-CG1 3.45Å; F701-I705 PolarHBondContact O-N 3.19Å; F701-I705 VanDerWaalsContact O-N 3.12Å
702S43.1Very low42Very low62 Ų6254.6 Ų54.643%0.43429%0.291SS..Hα-helixtrans-59.5-49170.755.90000113.5S591 P700 W704 I705 E706S591-S702 PolarHBondContact OG-OG 3.09Å; P700-S702 PolarHBondContact O-N 3.34Å; S702-W704 VanDerWaalsContact C-N 3.31Å; S702-W704 PolarHBondContact O-N 3.31Å; S702-I705 PolarHBondContact O-N 3.22Å; S702-E706 PolarHBondContact O-N 2.86Å; S702-E706 VanDerWaalsContact O-N 3.14Å
703E44.1Very low41.7Very low2 Ų252.5 Ų52.51%0.00928%0.28CS..Hα-helixtrans-65.8-34.7178.3-68.7-164.9149.200111.6S536 S590 L699 P700 E706 L707S536-E703 VanDerWaalsContact OG-CD 3.25Å; S536-E703 PolarHBondContact OG-OE1 2.88Å; S536-E703 PolarHBondContact OG-OE2 2.57Å; S536-E703 VanDerWaalsContact OG-OE2 3.06Å; S590-E703 WeakPolarHBondContact CA-OE1 3.33Å; S590-E703 WeakPolarHBondContact CB-OE1 3.47Å; L699-E703 HydrophobicContact CD2-CB 4.09Å; L699-E703 WeakPolarHBondContact CD2-OE2 3.35Å; P700-E703 HydrophobicContact CB-CG 4.27Å; P700-E703 WeakPolarHBondContact CD-OE2 3.19Å; P700-E703 HydrophobicContact CG-CG 4.1Å; P700-E703 PolarHBondContact O-N 2.87Å; E703-E706 PolarHBondContact O-N 2.88Å; E703-L707 WeakPolarHBondContact O-CB 3.47Å; E703-L707 VanDerWaalsContact O-CG 3.3Å; E703-L707 WeakPolarHBondContact O-CG 3.41Å; E703-L707 PolarHBondContact O-N 3.09Å
704W46.5Very low41Very low38 Ų3853.4 Ų53.414%0.14429%0.293CS..Hα-helixtrans-65.6-44.1176.9-17391.9000112.3L699 P700 F701 S702 E706 L707 H708 L713 F751L699-W704 HydrophobicContact CB-CB 4.34Å; P700-W704 PolarHBondContact O-N 3.24Å; P700-W704 VanDerWaalsContact O-N 3.15Å; F701-W704 PolarHBondContact O-N 2.9Å; S702-W704 VanDerWaalsContact C-N 3.31Å; S702-W704 PolarHBondContact O-N 3.31Å; W704-E706 VanDerWaalsContact C-N 3.32Å; W704-E706 PolarHBondContact O-N 3.11Å; W704-L707 PolarHBondContact O-N 3.01Å; W704-H708 WeakPolarHBondContact O-CB 3.3Å; W704-H708 PolarHBondContact O-N 3.1Å; W704-L713 HydrophobicContact CG-CD1 4.42Å; W704-L713 HydrophobicContact CZ2-CD2 3.62Å; W704-F751 AromaticContact CH2-CE2 3.83Å; W704-F751 HydrophobicContact CH2-CE2 3.83Å; W704-F751 AromaticContact CH2-CZ 3.52Å; W704-F751 HydrophobicContact CH2-CZ 3.52Å; W704-F751 AromaticContact CZ2-CE2 3.65Å; W704-F751 HydrophobicContact CZ2-CE2 3.65Å; W704-F751 AromaticContact CZ2-CZ 3.53Å; W704-F751 HydrophobicContact CZ2-CZ 3.53Å; W704-F751 HydrophobicContact CZ3-CZ 4.48Å
705I43.2Very low40.5Very low62 Ų6256.7 Ų56.732%0.31831%0.311SS..Hα-helixtrans-60.3-43.8175.3-72.8172.2000110.4F701 S702 H708 Q709F701-I705 HydrophobicContact CD1-CD1 3.77Å; F701-I705 HydrophobicContact CE1-CD1 3.42Å; F701-I705 VanDerWaalsContact CE1-CD1 3.42Å; F701-I705 HydrophobicContact CE1-CG1 4.28Å; F701-I705 HydrophobicContact CZ-CD1 3.95Å; F701-I705 HydrophobicContact CZ-CG1 4.42Å; F701-I705 WeakPolarHBondContact O-CG1 3.45Å; F701-I705 PolarHBondContact O-N 3.19Å; F701-I705 VanDerWaalsContact O-N 3.12Å; S702-I705 PolarHBondContact O-N 3.22Å; I705-H708 WeakPolarHBondContact O-CB 3.26Å; I705-H708 PolarHBondContact O-N 2.94Å; I705-Q709 HydrophobicContact CG2-CG 4.32Å; I705-Q709 WeakPolarHBondContact O-CG 3.41Å; I705-Q709 PolarHBondContact O-N 3.11Å
706E43.5Very low40.2Very low56 Ų5658 Ų5826%0.26231%0.314SS..Hα-helixtrans-67.4-42.2-179.1-167.6174.8-170.800112.1S591 S702 E703 W704 H708 Q709 T710S591-E706 WeakPolarHBondContact CB-OE2 3.4Å; S702-E706 PolarHBondContact O-N 2.86Å; S702-E706 VanDerWaalsContact O-N 3.14Å; E703-E706 PolarHBondContact O-N 2.88Å; W704-E706 VanDerWaalsContact C-N 3.32Å; W704-E706 PolarHBondContact O-N 3.11Å; E706-H708 PolarHBondContact O-N 3.3Å; E706-Q709 PolarHBondContact O-N 2.79Å; E706-T710 WeakPolarHBondContact O-CB 3.17Å; E706-T710 WeakPolarHBondContact O-CG2 3.23Å; E706-T710 PolarHBondContact O-N 2.81Å; E706-T710 PolarHBondContact O-OG1 2.9Å
707L43.4Very low39.8Very low2 Ų258.9 Ų58.91%0.0132%0.319CS..Hα-helixtrans-60.8-33.9172.6-78.7168.7000112.5Y534 L699 E703 W704 T710 G711 Q712 L713Y534-L707 HydrophobicContact CD1-CD2 3.82Å; Y534-L707 HydrophobicContact CD2-CD2 4.04Å; Y534-L707 HydrophobicContact CE1-CD1 4.27Å; Y534-L707 HydrophobicContact CE1-CD2 3.55Å; Y534-L707 HydrophobicContact CE1-CG 3.99Å; Y534-L707 HydrophobicContact CE2-CD2 3.81Å; Y534-L707 HydrophobicContact CE2-CG 4.26Å; Y534-L707 HydrophobicContact CG-CD2 4.03Å; L699-L707 HydrophobicContact CD1-CD1 3.87Å; L699-L707 HydrophobicContact CD2-CD1 3.91Å; E703-L707 WeakPolarHBondContact O-CB 3.47Å; E703-L707 VanDerWaalsContact O-CG 3.3Å; E703-L707 WeakPolarHBondContact O-CG 3.41Å; E703-L707 PolarHBondContact O-N 3.09Å; W704-L707 PolarHBondContact O-N 3.01Å; L707-T710 WeakPolarHBondContact CA-OG1 3.43Å; L707-T710 PolarHBondContact O-OG1 2.92Å; L707-G711 PolarHBondContact O-N 2.97Å; L707-Q712 HydrophobicContact CD2-CB 3.96Å; L707-Q712 PolarHBondContact O-N 2.66Å; L707-Q712 VanDerWaalsContact O-N 3.09Å; L707-L713 HydrophobicContact CB-CB 4.29Å; L707-L713 HydrophobicContact CB-CD1 3.76Å; L707-L713 HydrophobicContact CD1-CD1 4.32Å; L707-L713 PolarHBondContact O-N 2.86Å
708H41.4Very low39.6Very low115 Ų11558.8 Ų58.853%0.53232%0.318SS..Hα-helixtrans-73-42.7174.5-172.3-73.1000111.5W704 I705 E706 T710 G711 L713W704-H708 WeakPolarHBondContact O-CB 3.3Å; W704-H708 PolarHBondContact O-N 3.1Å; I705-H708 WeakPolarHBondContact O-CB 3.26Å; I705-H708 PolarHBondContact O-N 2.94Å; E706-H708 PolarHBondContact O-N 3.3Å; H708-T710 VanDerWaalsContact C-N 3.33Å; H708-T710 PolarHBondContact O-N 2.82Å; H708-G711 PolarHBondContact O-N 3.12Å; H708-L713 HydrophobicContact CB-CD2 4.42Å
709Q38.4Very low39.4Very low155 Ų15560.7 Ų60.772%0.72433%0.328SS*.Hα-helixtrans-65.2-34.4178-74.9176.9-500112.7I705 E706 G711I705-Q709 HydrophobicContact CG2-CG 4.32Å; I705-Q709 WeakPolarHBondContact O-CG 3.41Å; I705-Q709 PolarHBondContact O-N 3.11Å; E706-Q709 PolarHBondContact O-N 2.79Å; Q709-G711 VanDerWaalsContact C-N 3.32Å
710T39.4Very low39.3Very low69 Ų6962.9 Ų62.942%0.42334%0.341SS..THydrogen-bonded Turntrans-84.2-3.1177.555.60000113.6E706 L707 H708 Q712E706-T710 WeakPolarHBondContact O-CB 3.17Å; E706-T710 WeakPolarHBondContact O-CG2 3.23Å; E706-T710 PolarHBondContact O-N 2.81Å; E706-T710 PolarHBondContact O-OG1 2.9Å; L707-T710 WeakPolarHBondContact CA-OG1 3.43Å; L707-T710 PolarHBondContact O-OG1 2.92Å; H708-T710 VanDerWaalsContact C-N 3.33Å; H708-T710 PolarHBondContact O-N 2.82Å; T710-Q712 PolarHBondContact O-N 2.76Å
711G30.5Very low38.9Very low44 Ų4465.1 Ų65.145%0.45435%0.35SS..THydrogen-bonded Turntrans74.5-1.3-179.200000115.1L707 H708 Q709 L713 G714L707-G711 PolarHBondContact O-N 2.97Å; H708-G711 PolarHBondContact O-N 3.12Å; Q709-G711 VanDerWaalsContact C-N 3.32Å; G711-L713 VanDerWaalsContact C-N 3.33Å; G711-L713 PolarHBondContact O-N 2.83Å; G711-G714 PolarHBondContact O-N 3.12Å
712Q37.5Very low38.7Very low30 Ų3064.9 Ų64.914%0.1435%0.35CS..Hα-helixtrans-75.4-20.5-177-67.3-178.8-12.100113.4E531 L707 T710 G714 L715 R716E531-Q712 PolarHBondContact O-NE2 3.28Å; L707-Q712 HydrophobicContact CD2-CB 3.96Å; L707-Q712 PolarHBondContact O-N 2.66Å; L707-Q712 VanDerWaalsContact O-N 3.09Å; T710-Q712 PolarHBondContact O-N 2.76Å; Q712-G714 VanDerWaalsContact C-N 3.27Å; Q712-G714 PolarHBondContact O-N 3.49Å; Q712-L715 PolarHBondContact O-N 3.36Å; Q712-R716 PolarHBondContact O-N 2.91Å
713L39.5Very low38.5Very low23 Ų2366 Ų6612%0.1236%0.357CS..Hα-helixtrans-61.3-37171.5-153.888.7000111.8W704 L707 H708 G711 R716 L717W704-L713 HydrophobicContact CG-CD1 4.42Å; W704-L713 HydrophobicContact CZ2-CD2 3.62Å; L707-L713 HydrophobicContact CB-CB 4.29Å; L707-L713 HydrophobicContact CB-CD1 3.76Å; L707-L713 HydrophobicContact CD1-CD1 4.32Å; L707-L713 PolarHBondContact O-N 2.86Å; H708-L713 HydrophobicContact CB-CD2 4.42Å; G711-L713 VanDerWaalsContact C-N 3.33Å; G711-L713 PolarHBondContact O-N 2.83Å; L713-R716 WeakPolarHBondContact O-CB 3.48Å; L713-R716 PolarHBondContact O-N 2.81Å; L713-L717 PolarHBondContact O-N 2.97Å
714G32.5Very low38.1Very low38 Ų3868 Ų6839%0.39237%0.368SS..Hα-helixtrans-66.8-39.917800000113G711 Q712 R716 L717 I718G711-G714 PolarHBondContact O-N 3.12Å; Q712-G714 VanDerWaalsContact C-N 3.27Å; Q712-G714 PolarHBondContact O-N 3.49Å; G714-R716 VanDerWaalsContact C-N 3.32Å; G714-R716 PolarHBondContact O-N 3.44Å; G714-L717 PolarHBondContact O-N 3.15Å; G714-I718 WeakPolarHBondContact O-CD1 3.48Å; G714-I718 VanDerWaalsContact O-CG1 3.27Å; G714-I718 WeakPolarHBondContact O-CG1 3.46Å; G714-I718 PolarHBondContact O-N 3.01Å
715L34.3Very low37.5Very low102 Ų10270.2 Ų70.253%0.53439%0.389SS..Hα-helixtrans-62.7-38.3174.2-76.3160.6000111.7Q712 N719Q712-L715 PolarHBondContact O-N 3.36Å; L715-N719 PolarHBondContact O-N 3.14Å; L715-N719 VanDerWaalsContact O-N 3.09Å; L715-N719 PolarHBondContact O-ND2 2.94Å; L715-N719 PolarHBondContact O-OD1 3.08Å
716R38.1Very low37.2Very low66 Ų6674.7 Ų74.725%0.24941%0.412CS..Hα-helixtrans-65.4-42.8173.6-89.6179.9154.6-174.8-11.5113.1Q712 L713 G714 I718 N719 T720Q712-R716 PolarHBondContact O-N 2.91Å; L713-R716 WeakPolarHBondContact O-CB 3.48Å; L713-R716 PolarHBondContact O-N 2.81Å; G714-R716 VanDerWaalsContact C-N 3.32Å; G714-R716 PolarHBondContact O-N 3.44Å; R716-I718 VanDerWaalsContact C-N 3.34Å; R716-N719 PolarHBondContact O-N 3.38Å; R716-T720 PolarHBondContact O-N 3.46Å; R716-T720 VanDerWaalsContact O-N 3.08Å; R716-T720 PolarHBondContact O-OG1 2.97Å
717L35.6Very low36.7Very low95 Ų9575.9 Ų75.950%0.49742%0.42SS..Hα-helixtrans-66.4-38.2179.5-140106000111.4L713 G714 T720 L721L713-L717 PolarHBondContact O-N 2.97Å; G714-L717 PolarHBondContact O-N 3.15Å; L717-T720 WeakPolarHBondContact CA-OG1 3.44Å; L717-T720 PolarHBondContact O-OG1 3.42Å; L717-L721 HydrophobicContact CD2-CD1 3.83Å; L717-L721 HydrophobicContact CG-CD1 4.37Å; L717-L721 VanDerWaalsContact O-CB 3.31Å; L717-L721 WeakPolarHBondContact O-CB 3.47Å; L717-L721 WeakPolarHBondContact O-CD1 3.33Å; L717-L721 VanDerWaalsContact O-CG 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 3.37Å
718I37.3Very low36.1Very low86 Ų8682.8 Ų82.844%0.44146%0.457SS..Hα-helixtrans-64.9-42.3174.9-68.5165.4000110.9G714 R716 L721 Q722G714-I718 WeakPolarHBondContact O-CD1 3.48Å; G714-I718 VanDerWaalsContact O-CG1 3.27Å; G714-I718 WeakPolarHBondContact O-CG1 3.46Å; G714-I718 PolarHBondContact O-N 3.01Å; R716-I718 VanDerWaalsContact C-N 3.34Å; I718-L721 PolarHBondContact O-N 3.22Å; I718-Q722 HydrophobicContact CG2-CG 4.23Å; I718-Q722 VanDerWaalsContact O-CB 3.29Å; I718-Q722 WeakPolarHBondContact O-CB 3.4Å; I718-Q722 WeakPolarHBondContact O-CG 3.36Å; I718-Q722 PolarHBondContact O-N 3.09Å
719N35.5Very low35.9Very low57 Ų5781.1 Ų81.131%0.30545%0.448SS..Hα-helixtrans-63.9-41.7178.2-72.5-9.3000112.8I503 L715 R716 S723I503-N719 WeakPolarHBondContact CD1-OD1 3.2Å; I503-N719 WeakPolarHBondContact CG1-OD1 3.34Å; L715-N719 PolarHBondContact O-N 3.14Å; L715-N719 VanDerWaalsContact O-N 3.09Å; L715-N719 PolarHBondContact O-ND2 2.94Å; L715-N719 PolarHBondContact O-OD1 3.08Å; R716-N719 PolarHBondContact O-N 3.38Å; N719-S723 PolarHBondContact O-N 3.43Å
720T37.6Very low35.8Very low57 Ų5779.2 Ų79.235%0.3545%0.447SS..Hα-helixtrans-67.5-44.8176.534.20000111.1R716 L717 S723 L724R716-T720 PolarHBondContact O-N 3.46Å; R716-T720 VanDerWaalsContact O-N 3.08Å; R716-T720 PolarHBondContact O-OG1 2.97Å; L717-T720 WeakPolarHBondContact CA-OG1 3.44Å; L717-T720 PolarHBondContact O-OG1 3.42Å; T720-S723 PolarHBondContact O-N 2.84Å; T720-S723 PolarHBondContact O-OG 3.2Å; T720-L724 WeakPolarHBondContact O-CD1 3.4Å
721L34.5Very low35.7Very low105 Ų10582.3 Ų82.355%0.5546%0.461SS..Hα-helixtrans-69.7-33.3178.2-72.8166.3000113.9L717 I718 L724 S725L717-L721 HydrophobicContact CD2-CD1 3.83Å; L717-L721 HydrophobicContact CG-CD1 4.37Å; L717-L721 VanDerWaalsContact O-CB 3.31Å; L717-L721 WeakPolarHBondContact O-CB 3.47Å; L717-L721 WeakPolarHBondContact O-CD1 3.33Å; L717-L721 VanDerWaalsContact O-CG 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 3.37Å; I718-L721 PolarHBondContact O-N 3.22Å; L721-L724 WeakPolarHBondContact O-CB 3.26Å; L721-L724 PolarHBondContact O-N 2.86Å; L721-S725 PolarHBondContact O-N 3.24Å
722Q36.2Very low36.3Very low99 Ų9983 Ų8346%0.46345%0.451SS..Hα-helixtrans-73-31.7176.6-81-177.3-17.200112.7I718 L724 S725I718-Q722 HydrophobicContact CG2-CG 4.23Å; I718-Q722 VanDerWaalsContact O-CB 3.29Å; I718-Q722 WeakPolarHBondContact O-CB 3.4Å; I718-Q722 WeakPolarHBondContact O-CG 3.36Å; I718-Q722 PolarHBondContact O-N 3.09Å; Q722-L724 PolarHBondContact O-N 3.34Å; Q722-S725 WeakPolarHBondContact O-CB 3.46Å; Q722-S725 PolarHBondContact O-N 3.31Å; Q722-S725 PolarHBondContact O-OG 3.24Å
723S38.8Very low36.4Very low84 Ų8486.5 Ų86.559%0.58747%0.469SS*.Hα-helixtrans-61.6-28.1170.677.10000112.8N719 T720N719-S723 PolarHBondContact O-N 3.43Å; T720-S723 PolarHBondContact O-N 2.84Å; T720-S723 PolarHBondContact O-OG 3.2Å
724L35.9Very low36.3Very low45 Ų4592.4 Ų92.424%0.23650%0.496CS..G310 helixtrans-81.8-14.7175.3-78.4150.3000113.4T720 L721 Q722 I726 I727 F729T720-L724 WeakPolarHBondContact O-CD1 3.4Å; L721-L724 WeakPolarHBondContact O-CB 3.26Å; L721-L724 PolarHBondContact O-N 2.86Å; Q722-L724 PolarHBondContact O-N 3.34Å; L724-I726 PolarHBondContact O-N 3.38Å; L724-I726 VanDerWaalsContact O-N 3.12Å; L724-I727 PolarHBondContact O-N 2.9Å; L724-I727 VanDerWaalsContact O-N 3.08Å; L724-F729 HydrophobicContact CB-CE2 4.32Å; L724-F729 HydrophobicContact CD2-CE2 4.38Å
725S34.2Very low36.6Very low84 Ų8494 Ų9459%0.58750%0.495SS*.G310 helixtrans-72.3-2.2-175.173.60000114.9L721 Q722 I727L721-S725 PolarHBondContact O-N 3.24Å; Q722-S725 WeakPolarHBondContact O-CB 3.46Å; Q722-S725 PolarHBondContact O-N 3.31Å; Q722-S725 PolarHBondContact O-OG 3.24Å; S725-I727 PolarHBondContact O-N 3.34Å
726I36.1Very low36.7Very low156 Ų15693 Ų9380%0.849%0.489SS*.G310 helixtrans-75.7-10.2168.9-59.3174.4000111.3L724L724-I726 PolarHBondContact O-N 3.38Å; L724-I726 VanDerWaalsContact O-N 3.12Å
727I34.4Very low36.8Very low82 Ų8294.9 Ų94.942%0.42150%0.503SS..SBendtrans-104.9120.3-179.9-54.2174.8000108.8L724 S725 F729L724-I727 PolarHBondContact O-N 2.9Å; L724-I727 VanDerWaalsContact O-N 3.08Å; S725-I727 PolarHBondContact O-N 3.34Å; I727-F729 HydrophobicContact CB-CD2 4.26Å; I727-F729 HydrophobicContact CB-CE2 4.25Å; I727-F729 VanDerWaalsContact O-CD2 3.26Å; I727-F729 WeakPolarHBondContact O-CD2 3.34Å; I727-F729 PolarHBondContact O-N 2.88Å
728N31Very low36.9Very low147 Ų14796.1 Ų96.179%0.78651%0.511SS*.  trans-61.4101.6177.9-115.7-13.8000110.4T730N728-T730 PolarHBondContact O-N 3.45Å
729F36.7Very low37Very low80 Ų8095.8 Ų95.835%0.35151%0.507SS..  trans-88.915.5-166.4-111.3-83.9000115.2L724 I727 N731 Y732 I736L724-F729 HydrophobicContact CB-CE2 4.32Å; L724-F729 HydrophobicContact CD2-CE2 4.38Å; I727-F729 HydrophobicContact CB-CD2 4.26Å; I727-F729 HydrophobicContact CB-CE2 4.25Å; I727-F729 VanDerWaalsContact O-CD2 3.26Å; I727-F729 WeakPolarHBondContact O-CD2 3.34Å; I727-F729 PolarHBondContact O-N 2.88Å; F729-N731 PolarHBondContact O-N 3.02Å; F729-Y732 HydrophobicContact CD1-CD2 4.38Å; F729-Y732 HydrophobicContact CD1-CG 4.34Å; F729-Y732 HydrophobicContact CE1-CG 4.34Å; F729-Y732 PolarHBondContact O-N 3.37Å; F729-I736 HydrophobicContact CE1-CD1 4.28Å
730T36.4Very low36.9Very low115 Ų11597.6 Ų97.671%0.70652%0.516SS*.THydrogen-bonded Turntrans-73.8-22.8-17241.90000114.8N728N728-T730 PolarHBondContact O-N 3.45Å
731N37.2Very low36.9Very low134 Ų13498.9 Ų98.972%0.71753%0.526SS*.THydrogen-bonded Turntrans-96.4-4.3177.2-74.1-11.5000114.5F729F729-N731 PolarHBondContact O-N 3.02Å
732Y42.4Very low36.9Very low59 Ų5997.9 Ų97.923%0.23152%0.52CS..THydrogen-bonded Turntrans-98.8-18.2-175.2-70.8-80.7000114Y681 F729 Q734 I735 I736Y681-Y732 HydrophobicContact CD1-CE1 4.12Å; Y681-Y732 HydrophobicContact CE1-CE1 4.16Å; Y681-Y732 WeakPolarHBondContact CE1-OH 3.31Å; Y681-Y732 VanDerWaalsContact CZ-OH 3.32Å; Y681-Y732 PolarHBondContact OH-OH 3.13Å; F729-Y732 HydrophobicContact CD1-CD2 4.38Å; F729-Y732 HydrophobicContact CD1-CG 4.34Å; F729-Y732 HydrophobicContact CE1-CG 4.34Å; F729-Y732 PolarHBondContact O-N 3.37Å; Y732-Q734 PolarHBondContact O-N 2.71Å; Y732-I735 HydrophobicContact CD1-CD1 4.06Å; Y732-I735 HydrophobicContact CE1-CD1 4.43Å; Y732-I735 PolarHBondContact O-N 3.26Å; Y732-I735 VanDerWaalsContact O-N 3.1Å; Y732-I736 WeakPolarHBondContact O-CG1 3.31Å; Y732-I736 PolarHBondContact O-N 2.86Å
733I39.9Very low36.8Very low103 Ų10396.3 Ų96.353%0.52852%0.515SS..Hα-helixtrans-59.9-37.5176.2-69.5175.8000110.9I735 I736 L737I733-I735 VanDerWaalsContact C-N 3.33Å; I733-I735 PolarHBondContact O-N 3.18Å; I733-I736 PolarHBondContact O-N 2.95Å; I733-L737 HydrophobicContact CG2-CD1 3.64Å; I733-L737 HydrophobicContact CG2-CG 4.27Å; I733-L737 VanDerWaalsContact O-CB 3.29Å; I733-L737 WeakPolarHBondContact O-CB 3.44Å; I733-L737 WeakPolarHBondContact O-CG 3.48Å; I733-L737 PolarHBondContact O-N 2.71Å
734Q36.7Very low36.7Very low146 Ų14696.8 Ų96.868%0.68251%0.51SS*.Hα-helixtrans-71.4-28.5178.6-151.9159.67.600112.6Y732 N738Y732-Q734 PolarHBondContact O-N 2.71Å; Q734-N738 VanDerWaalsContact O-CB 3.26Å; Q734-N738 WeakPolarHBondContact O-CB 3.38Å; Q734-N738 PolarHBondContact O-N 3.27Å; Q734-N738 PolarHBondContact O-ND2 2.77Å
735I39.1Very low36.7Very low73 Ų7398.7 Ų98.737%0.37452%0.519SS..Hα-helixtrans-75.7-43174.2-64172.1000110.2Y732 I733 N738 H739Y732-I735 HydrophobicContact CD1-CD1 4.06Å; Y732-I735 HydrophobicContact CE1-CD1 4.43Å; Y732-I735 PolarHBondContact O-N 3.26Å; Y732-I735 VanDerWaalsContact O-N 3.1Å; I733-I735 VanDerWaalsContact C-N 3.33Å; I733-I735 PolarHBondContact O-N 3.18Å; I735-N738 PolarHBondContact O-N 2.87Å; I735-H739 PolarHBondContact O-CD2 3.23Å; I735-H739 PolarHBondContact O-N 3.28Å; I735-H739 VanDerWaalsContact O-N 3.07Å
736I37.6Very low36.8Very low80 Ų8096.5 Ų96.541%0.4150%0.504SS..Hα-helixtrans-63.9-41.8176-67.2167.3000110.7F729 Y732 I733 H739 L740F729-I736 HydrophobicContact CE1-CD1 4.28Å; Y732-I736 WeakPolarHBondContact O-CG1 3.31Å; Y732-I736 PolarHBondContact O-N 2.86Å; I733-I736 PolarHBondContact O-N 2.95Å; I736-H739 CarbonylContact O-C 3.59Å; I736-H739 PolarHBondContact O-N 2.9Å; I736-L740 PolarHBondContact O-N 2.92Å
737L39Very low36.8Very low105 Ų10591.5 Ų91.555%0.5548%0.479SS..Hα-helixtrans-68.1-36175.9-73.4168.6000112.5I733 H739 L740I733-L737 HydrophobicContact CG2-CD1 3.64Å; I733-L737 HydrophobicContact CG2-CG 4.27Å; I733-L737 VanDerWaalsContact O-CB 3.29Å; I733-L737 WeakPolarHBondContact O-CB 3.44Å; I733-L737 WeakPolarHBondContact O-CG 3.48Å; I733-L737 PolarHBondContact O-N 2.71Å; L737-H739 VanDerWaalsContact C-N 3.26Å; L737-H739 PolarHBondContact O-N 2.8Å; L737-L740 WeakPolarHBondContact O-CB 3.27Å
738N37.3Very low37.1Very low122 Ų12289.7 Ų89.765%0.65247%0.472SS*.Hα-helixtrans-72.2-18175.2-75.8-11.2000113.5Q734 I735Q734-N738 VanDerWaalsContact O-CB 3.26Å; Q734-N738 WeakPolarHBondContact O-CB 3.38Å; Q734-N738 PolarHBondContact O-N 3.27Å; Q734-N738 PolarHBondContact O-ND2 2.77Å; I735-N738 PolarHBondContact O-N 2.87Å
739H39.5Very low37.6Very low78 Ų7886.8 Ų86.836%0.36145%0.451SS..THydrogen-bonded Turntrans-109.97.8178.1-70.1-63.7000114I735 I736 L737 P741 L742 L743I735-H739 PolarHBondContact O-CD2 3.23Å; I735-H739 PolarHBondContact O-N 3.28Å; I735-H739 VanDerWaalsContact O-N 3.07Å; I736-H739 CarbonylContact O-C 3.59Å; I736-H739 PolarHBondContact O-N 2.9Å; L737-H739 VanDerWaalsContact C-N 3.26Å; L737-H739 PolarHBondContact O-N 2.8Å; H739-P741 VanDerWaalsContact C-N 3.27Å; H739-L742 PolarHBondContact O-N 2.85Å; H739-L743 PolarHBondContact O-N 2.67Å; H739-L743 VanDerWaalsContact O-N 3.09Å
740L34.3Very low37.7Very low95 Ų9584.4 Ų84.450%0.49745%0.449SS..Hα-helixtrans-50.4-36.8173.7-160.676.5000113.7I736 L737 L742 L743I736-L740 PolarHBondContact O-N 2.92Å; L737-L740 WeakPolarHBondContact O-CB 3.27Å; L740-L742 VanDerWaalsContact C-N 3.33Å; L740-L742 PolarHBondContact O-N 3.04Å; L740-L743 PolarHBondContact O-N 3.06Å
741P37Very low37.7Very low85 Ų8583.4 Ų83.455%0.55243%0.434SS*.Hα-helixtrans-68.1-27.8175.8-2033.1000114.2H739H739-P741 VanDerWaalsContact C-N 3.27Å
742L34.6Very low38Very low83 Ų8379.9 Ų79.944%0.43542%0.415SS..Hα-helixtrans-83.9-25.4177.4-81.1151.3000111.9H739 L740 I744 I745 S746H739-L742 PolarHBondContact O-N 2.85Å; L740-L742 VanDerWaalsContact C-N 3.33Å; L740-L742 PolarHBondContact O-N 3.04Å; L742-I744 PolarHBondContact O-N 2.82Å; L742-I745 HydrophobicContact CD2-CD1 4.25Å; L742-I745 WeakPolarHBondContact O-CB 3.35Å; L742-I745 PolarHBondContact O-N 2.8Å; L742-S746 PolarHBondContact O-N 2.83Å
743L34.6Very low37.9Very low66 Ų6679.8 Ų79.835%0.34642%0.418SS..Hα-helixtrans-63.3-33.2173.7-149140.3000111.1H739 L740 I745 S746 I747H739-L743 PolarHBondContact O-N 2.67Å; H739-L743 VanDerWaalsContact O-N 3.09Å; L740-L743 PolarHBondContact O-N 3.06Å; L743-I745 VanDerWaalsContact C-N 3.26Å; L743-I745 PolarHBondContact O-N 2.84Å; L743-S746 WeakPolarHBondContact CA-OG 3.42Å; L743-S746 PolarHBondContact O-N 2.66Å; L743-S746 PolarHBondContact O-OG 2.93Å; L743-I747 HydrophobicContact CD2-CD1 4.32Å; L743-I747 WeakPolarHBondContact O-CG1 3.35Å; L743-I747 PolarHBondContact O-N 3.37Å; L743-I747 VanDerWaalsContact O-N 3.15Å
744I36.5Very low37.8Very low95 Ų9577.6 Ų77.649%0.48741%0.411SS..Hα-helixtrans-63.2-29.9172.4-62.9171.5000112.2L742 I752L742-I744 PolarHBondContact O-N 2.82Å; I744-I752 HydrophobicContact CG2-CD1 3.91Å
745I36.6Very low38.1Very low85 Ų8575.9 Ų75.944%0.43641%0.405SS..Hα-helixtrans-82.5-24.7179.5-60.2171.3000111.3L742 L743 A808L742-I745 HydrophobicContact CD2-CD1 4.25Å; L742-I745 WeakPolarHBondContact O-CB 3.35Å; L742-I745 PolarHBondContact O-N 2.8Å; L743-I745 VanDerWaalsContact C-N 3.26Å; L743-I745 PolarHBondContact O-N 2.84Å; I745-A808 HydrophobicContact CD1-CB 4.4Å
746S35.5Very low38.2Very low38 Ų3878.2 Ų78.227%0.26641%0.413SS..Hα-helixtrans-90.2-9.6176.858.70000114.9L742 L743L742-S746 PolarHBondContact O-N 2.83Å; L743-S746 WeakPolarHBondContact CA-OG 3.42Å; L743-S746 PolarHBondContact O-N 2.66Å; L743-S746 PolarHBondContact O-OG 2.93Å
747I35.8Very low38.4Very low51 Ų5178.3 Ų78.326%0.26242%0.415SS..SBendtrans-72.2125.3169.7-72166.7000106.9L743 Y749 F751 I752L743-I747 HydrophobicContact CD2-CD1 4.32Å; L743-I747 WeakPolarHBondContact O-CG1 3.35Å; L743-I747 PolarHBondContact O-N 3.37Å; L743-I747 VanDerWaalsContact O-N 3.15Å; I747-Y749 PolarHBondContact O-N 2.96Å; I747-F751 HydrophobicContact CG2-CB 3.28Å; I747-F751 HydrophobicContact CG2-CG 3.97Å; I747-I752 HydrophobicContact CG2-CG1 4.45Å
748P40.6Very low38.5Very low43 Ų4376.3 Ų76.328%0.27941%0.408SS..  trans-56.2130.8175.921.7-29.3000108.3I697 G750 F751I697-P748 HydrophobicContact CD1-CG 4.44Å; I697-P748 HydrophobicContact CG1-CG 4.22Å; P748-G750 PolarHBondContact O-N 3.21Å; P748-F751 WeakPolarHBondContact O-CB 3.47Å; P748-F751 PolarHBondContact O-N 3.44Å
749Y41.7Very low39Very low87 Ų8775.3 Ų75.334%0.34140%0.402SS..THydrogen-bonded Turntrans-52.3-16.3-178.7-73.2-87.5000113.7I747 F751 I752 I753I747-Y749 PolarHBondContact O-N 2.96Å; Y749-F751 PolarHBondContact O-N 2.87Å; Y749-I752 PolarHBondContact O-N 2.85Å; Y749-I753 WeakPolarHBondContact O-CB 3.46Å; Y749-I753 WeakPolarHBondContact O-CD1 3.33Å; Y749-I753 VanDerWaalsContact O-CG1 3.28Å; Y749-I753 WeakPolarHBondContact O-CG1 2.93Å; Y749-I753 PolarHBondContact O-N 3.5Å; Y749-I753 VanDerWaalsContact O-N 3.11Å
750G38.8Very low39.2Very low30 Ų3075.4 Ų75.431%0.30941%0.405SS..THydrogen-bonded Turntrans-62.5-9.3165.900000116.1P748 P754P748-G750 PolarHBondContact O-N 3.21Å; G750-P754 WeakPolarHBondContact O-CD 3.45Å; G750-P754 WeakPolarHBondContact O-CG 3.49Å
751F37.4Very low39.4Very low93 Ų9376.1 Ų76.141%0.40841%0.409SS..THydrogen-bonded Turntrans-94.5-38174.5-131.6-90.6000112.3W704 I747 P748 Y749 L755W704-F751 AromaticContact CH2-CE2 3.83Å; W704-F751 HydrophobicContact CH2-CE2 3.83Å; W704-F751 AromaticContact CH2-CZ 3.52Å; W704-F751 HydrophobicContact CH2-CZ 3.52Å; W704-F751 AromaticContact CZ2-CE2 3.65Å; W704-F751 HydrophobicContact CZ2-CE2 3.65Å; W704-F751 AromaticContact CZ2-CZ 3.53Å; W704-F751 HydrophobicContact CZ2-CZ 3.53Å; W704-F751 HydrophobicContact CZ3-CZ 4.48Å; I747-F751 HydrophobicContact CG2-CB 3.28Å; I747-F751 HydrophobicContact CG2-CG 3.97Å; P748-F751 WeakPolarHBondContact O-CB 3.47Å; P748-F751 PolarHBondContact O-N 3.44Å; Y749-F751 PolarHBondContact O-N 2.87Å; F751-L755 WeakPolarHBondContact O-CB 3.47Å
752I42.1Very low39.4Very low60 Ų6078.8 Ų78.831%0.30841%0.412SS..Hα-helixtrans-81.8-39.1-176.8-62.1176.2000110.3I744 I747 Y749 L755 F756I744-I752 HydrophobicContact CG2-CD1 3.91Å; I747-I752 HydrophobicContact CG2-CG1 4.45Å; Y749-I752 PolarHBondContact O-N 2.85Å; I752-L755 PolarHBondContact O-N 3.11Å; I752-F756 WeakPolarHBondContact O-CB 3.03Å; I752-F756 PolarHBondContact O-N 3.19Å
753I42.1Very low39.6Very low58 Ų5876.1 Ų76.130%0.29740%0.404SS..Hα-helixtrans-65.5-45.9-175.7-65.6169000112.4Y749 F756 N757 M797Y749-I753 WeakPolarHBondContact O-CB 3.46Å; Y749-I753 WeakPolarHBondContact O-CD1 3.33Å; Y749-I753 VanDerWaalsContact O-CG1 3.28Å; Y749-I753 WeakPolarHBondContact O-CG1 2.93Å; Y749-I753 PolarHBondContact O-N 3.5Å; Y749-I753 VanDerWaalsContact O-N 3.11Å; I753-F756 PolarHBondContact O-N 3.14Å; I753-N757 VanDerWaalsContact O-CB 3.3Å; I753-N757 WeakPolarHBondContact O-CB 3.42Å; I753-N757 VanDerWaalsContact O-CG 3.24Å; I753-N757 PolarHBondContact O-N 2.8Å; I753-M797 HydrophobicContact CD1-CE 4.38Å
754P36.6Very low39.6Very low57 Ų5779.9 Ų79.937%0.3742%0.418SS..Hα-helixtrans-70.4-33.4175.8-20.334.7000113.1G750 N757 C758G750-P754 WeakPolarHBondContact O-CD 3.45Å; G750-P754 WeakPolarHBondContact O-CG 3.49Å; P754-N757 PolarHBondContact O-N 3.11Å; P754-C758 WeakPolarHBondContact O-CB 3.24Å; P754-C758 PolarHBondContact O-N 2.87Å
755L42.4Very low39.4Very low109 Ų10981.1 Ų81.157%0.57143%0.425SS*.Hα-helixtrans-67.5-41.7175.5-162.386.1000110.8F751 I752 C758 I759F751-L755 WeakPolarHBondContact O-CB 3.47Å; I752-L755 PolarHBondContact O-N 3.11Å; L755-C758 PolarHBondContact O-N 2.77Å; L755-I759 HydrophobicContact CD2-CD1 4.43Å; L755-I759 HydrophobicContact CG-CD1 4.25Å; L755-I759 WeakPolarHBondContact O-CB 3.31Å; L755-I759 WeakPolarHBondContact O-CD1 3.28Å; L755-I759 WeakPolarHBondContact O-CG1 3.34Å; L755-I759 PolarHBondContact O-N 2.71Å
756F42.7Very low39.2Very low123 Ų12383.2 Ų83.254%0.53944%0.437SS..Hα-helixtrans-70.4-36.6176.3-143.9-93.6000111.4I752 I753 I759 L760I752-F756 WeakPolarHBondContact O-CB 3.03Å; I752-F756 PolarHBondContact O-N 3.19Å; I753-F756 PolarHBondContact O-N 3.14Å; F756-I759 PolarHBondContact O-N 3.38Å; F756-L760 HydrophobicContact CD1-CD1 3.6Å; F756-L760 HydrophobicContact CD1-CG 4.03Å; F756-L760 HydrophobicContact CE1-CD1 3.94Å; F756-L760 HydrophobicContact CE1-CG 4.25Å; F756-L760 VanDerWaalsContact O-CB 3.25Å; F756-L760 WeakPolarHBondContact O-CB 3.38Å; F756-L760 VanDerWaalsContact O-CG 3.27Å; F756-L760 WeakPolarHBondContact O-CG 3.49Å; F756-L760 PolarHBondContact O-N 3.47Å
757N41.6Very low39Very low82 Ų8287.3 Ų87.344%0.43946%0.455SS..Hα-helixtrans-65.9-40.6170.2-75.8-13.2000111.6I753 P754 I759 L760 D761I753-N757 VanDerWaalsContact O-CB 3.3Å; I753-N757 WeakPolarHBondContact O-CB 3.42Å; I753-N757 VanDerWaalsContact O-CG 3.24Å; I753-N757 PolarHBondContact O-N 2.8Å; P754-N757 PolarHBondContact O-N 3.11Å; N757-I759 VanDerWaalsContact C-N 3.33Å; N757-I759 PolarHBondContact O-N 3.14Å; N757-L760 CarbonylContact O-C 3.59Å; N757-L760 PolarHBondContact O-N 2.78Å; N757-D761 VanDerWaalsContact O-CB 3.23Å; N757-D761 WeakPolarHBondContact O-CB 3.16Å; N757-D761 VanDerWaalsContact O-CG 3.27Å; N757-D761 PolarHBondContact O-N 2.98Å
758C40.1Very low38.8Very low62 Ų6288 Ų8842%0.41946%0.464SS..Hα-helixtrans-66.4-35.5175.4-172.60000111.9P754 L755 K762P754-C758 WeakPolarHBondContact O-CB 3.24Å; P754-C758 PolarHBondContact O-N 2.87Å; L755-C758 PolarHBondContact O-N 2.77Å; C758-K762 VanDerWaalsContact O-CB 3.26Å; C758-K762 WeakPolarHBondContact O-CB 3.33Å; C758-K762 VanDerWaalsContact O-CG 3.3Å; C758-K762 WeakPolarHBondContact O-CG 3.47Å; C758-K762 PolarHBondContact O-N 3.34Å
759I49Very low38.2Very low101 Ų10189.7 Ų89.752%0.51848%0.477SS..Hα-helixtrans-71.2-39173.1-69.3164000111.1L755 F756 N757 G763L755-I759 HydrophobicContact CD2-CD1 4.43Å; L755-I759 HydrophobicContact CG-CD1 4.25Å; L755-I759 WeakPolarHBondContact O-CB 3.31Å; L755-I759 WeakPolarHBondContact O-CD1 3.28Å; L755-I759 WeakPolarHBondContact O-CG1 3.34Å; L755-I759 PolarHBondContact O-N 2.71Å; F756-I759 PolarHBondContact O-N 3.38Å; N757-I759 VanDerWaalsContact C-N 3.33Å; N757-I759 PolarHBondContact O-N 3.14Å; I759-G763 WeakPolarHBondContact O-CA 3.28Å; I759-G763 PolarHBondContact O-N 3.38Å
760L42.6Very low37.6Very low81 Ų8190.2 Ų90.242%0.42449%0.493SS..Hα-helixtrans-73.7-36.7177.4-78.2171.4000112.4F756 N757 G763 F764F756-L760 HydrophobicContact CD1-CD1 3.6Å; F756-L760 HydrophobicContact CD1-CG 4.03Å; F756-L760 HydrophobicContact CE1-CD1 3.94Å; F756-L760 HydrophobicContact CE1-CG 4.25Å; F756-L760 VanDerWaalsContact O-CB 3.25Å; F756-L760 WeakPolarHBondContact O-CB 3.38Å; F756-L760 VanDerWaalsContact O-CG 3.27Å; F756-L760 WeakPolarHBondContact O-CG 3.49Å; F756-L760 PolarHBondContact O-N 3.47Å; N757-L760 CarbonylContact O-C 3.59Å; N757-L760 PolarHBondContact O-N 2.78Å; L760-G763 CarbonylContact O-C 3.57Å; L760-G763 PolarHBondContact O-N 2.83Å; L760-F764 WeakPolarHBondContact O-CB 3.43Å; L760-F764 PolarHBondContact O-N 2.84Å
761D39.8Very low37.1Very low109 Ų10993.5 Ų93.558%0.58351%0.512SS*.Hα-helixtrans-69.7-40.2174.8-76.6-22.5000110.5N757 G763 L765N757-D761 VanDerWaalsContact O-CB 3.23Å; N757-D761 WeakPolarHBondContact O-CB 3.16Å; N757-D761 VanDerWaalsContact O-CG 3.27Å; N757-D761 PolarHBondContact O-N 2.98Å; D761-G763 VanDerWaalsContact C-N 3.35Å; D761-L765 WeakPolarHBondContact O-CB 3.36Å; D761-L765 PolarHBondContact O-N 2.78Å
762K36Very low36.5Very low141 Ų14197.7 Ų97.761%0.61353%0.533SS*.Hα-helixtrans-69.7-31.4170-74.3-177.4177.7-179.90112.6C758 L766C758-K762 VanDerWaalsContact O-CB 3.26Å; C758-K762 WeakPolarHBondContact O-CB 3.33Å; C758-K762 VanDerWaalsContact O-CG 3.3Å; C758-K762 WeakPolarHBondContact O-CG 3.47Å; C758-K762 PolarHBondContact O-N 3.34Å; K762-L766 PolarHBondContact O-N 3.47Å
763G39Very low35.8Very low27 Ų27101.2 Ų101.228%0.27856%0.557SS.*Hα-helixtrans-71.8-36.3174.300000113I759 L760 D761 L766 L767I759-G763 WeakPolarHBondContact O-CA 3.28Å; I759-G763 PolarHBondContact O-N 3.38Å; L760-G763 CarbonylContact O-C 3.57Å; L760-G763 PolarHBondContact O-N 2.83Å; D761-G763 VanDerWaalsContact C-N 3.35Å; G763-L766 PolarHBondContact O-N 2.61Å; G763-L767 PolarHBondContact O-N 3.05Å
764F35.5Very low35.2Very low146 Ų146105.6 Ų105.664%0.6458%0.579SS**Hα-helixtrans-74-33.8174.1-106.9-88.2000111.6L760 L766 L767 S768L760-F764 WeakPolarHBondContact O-CB 3.43Å; L760-F764 PolarHBondContact O-N 2.84Å; F764-L766 VanDerWaalsContact C-N 3.25Å; F764-L766 PolarHBondContact O-N 2.96Å; F764-L767 CarbonylContact O-C 3.59Å; F764-L767 PolarHBondContact O-N 3.14Å; F764-S768 WeakPolarHBondContact O-CB 3.14Å; F764-S768 PolarHBondContact O-N 2.97Å; F764-S768 PolarHBondContact O-OG 3.35Å; F764-S768 VanDerWaalsContact O-OG 3.08Å
765L31.9Very low34.9Very low120 Ų120110.4 Ų110.463%0.62860%0.596SS**Hα-helixtrans-63.2-30.2169.4-88158.2000112.9D761 S768 S769D761-L765 WeakPolarHBondContact O-CB 3.36Å; D761-L765 PolarHBondContact O-N 2.78Å; L765-S768 WeakPolarHBondContact CA-OG 3.32Å; L765-S768 PolarHBondContact O-OG 3.25Å; L765-S769 PolarHBondContact O-N 3.47Å; L765-S769 PolarHBondContact O-OG 2.95Å
766L32.3Very low34.1Very low129 Ų129115.1 Ų115.168%0.67561%0.606SS**Hα-helixtrans-78.4-28.6172.9-91.9151.5000113K762 G763 F764 S769K762-L766 PolarHBondContact O-N 3.47Å; G763-L766 PolarHBondContact O-N 2.61Å; F764-L766 VanDerWaalsContact C-N 3.25Å; F764-L766 PolarHBondContact O-N 2.96Å; L766-S769 PolarHBondContact O-OG 3.21Å
767L31.7Very low33.3Very low124 Ų124117.5 Ų117.565%0.64962%0.617SS**Hα-helixtrans-87.6-19.4175.1-75.7160.5000113.5G763 F764 S770G763-L767 PolarHBondContact O-N 3.05Å; F764-L767 CarbonylContact O-C 3.59Å; F764-L767 PolarHBondContact O-N 3.14Å; L767-S770 PolarHBondContact O-OG 2.89Å
768S30.4Very low32.7Very low65 Ų65120.9 Ų120.946%0.45564%0.635SS.*G310 helixtrans-86.4-12.4170.467.40000113F764 L765 S770F764-S768 WeakPolarHBondContact O-CB 3.14Å; F764-S768 PolarHBondContact O-N 2.97Å; F764-S768 PolarHBondContact O-OG 3.35Å; F764-S768 VanDerWaalsContact O-OG 3.08Å; L765-S768 WeakPolarHBondContact CA-OG 3.32Å; L765-S768 PolarHBondContact O-OG 3.25Å; S768-S770 PolarHBondContact O-N 3.18Å
769S28.9Very low32Very low79 Ų79125.5 Ų125.555%0.55266%0.655SS**G310 helixtrans-77.70.1171.1590000114.8L765 L766L765-S769 PolarHBondContact O-N 3.47Å; L765-S769 PolarHBondContact O-OG 2.95Å; L766-S769 PolarHBondContact O-OG 3.21Å
770S29.6Very low30.8Very low98 Ų98126 Ų12669%0.68567%0.668SS**G310 helixtrans-101.211.117343.70000115.2L767 S768L767-S770 PolarHBondContact O-OG 2.89Å; S768-S770 PolarHBondContact O-N 3.18Å
771S27.7Very low29.9Very low99 Ų99130.8 Ų130.869%0.69269%0.69SS**  trans-127.159.517264.90000112
772Q24.8Very low29.4Very low181 Ų181134.4 Ų134.485%0.84671%0.706SS**  trans-93.785.6161.3-80.9-166.2-17.200109.9
773V27.3Very low28.8Very low134 Ų134136.5 Ų136.581%0.81272%0.715SS**  trans-154.7134.8145.9-162.10000108.4
774I30Very low28.1Very low151 Ų151143.2 Ų143.277%0.77474%0.739SS**SBendtrans104.480.9167.4-47.4170.5000116.2
775H30.5Very low27.6Very low157 Ų157142.9 Ų142.973%0.72774%0.744SS**  59.7111.3129.6-83.3-65.6000124.7
776R25.2Very low27.4Very low208 Ų208143.9 Ų143.979%0.78575%0.75SS**  61.2120.3119.6-96.5-174.6-178.5165.7-1.2122.5
777K24.8Very low27Very low174 Ų174146 Ų14676%0.75776%0.762SS**  54.2111.7126.3-82.4-168.5173.8-166.20119.5
778D29.6Very low26.8Very low152 Ų152146.3 Ų146.381%0.81376%0.764SS**  165.2148.5103.4-86.2-22.6000111.4
779D25.1Very low26.7Very low159 Ų159146.8 Ų146.885%0.8577%0.767SS**  trans-75.1150.5-178.5-79.8-48.1000113.9
780S24.6Very low26.7Very low112 Ų112149 Ų14978%0.78378%0.777SS**  trans100.6128.6154.879.10000120.7
781M23.6Very low26.8Very low182 Ų182147.2 Ų147.290%0.89777%0.765SS**  trans84.7109.4163.2-62.5-165.274.900120.9
782M28Very low27.1Very low185 Ų185146.2 Ų146.291%0.91176%0.757SS**  trans174.8114.1130.1-97.2178118.600108.4
783K23.7Very low27.7Very low184 Ų184140 Ų14080%0.873%0.734SS**  46.5116.281-95.8-173.3-179.1179.60116.3
784Q25.3Very low28Very low168 Ų168136.8 Ų136.879%0.78572%0.715SS**  trans78.4124.7147.7-82.1177.7-35.800120.6
785N24.1Very low28.2Very low140 Ų140138.1 Ų138.175%0.74971%0.71SS**  trans58.6105148.2-69.9-5.1000117.1
786D27.8Very low28.5Very low140 Ų140135.7 Ų135.775%0.74970%0.701SS**  trans-139.6117.3130.4-87.8-39.2000111.5L788D786-L788 HydrophobicContact CB-CB 4.22Å; D786-L788 HydrophobicContact CB-CD1 3.77Å; D786-L788 HydrophobicContact CB-CG 4.29Å; D786-L788 PolarHBondContact O-N 3.05Å
787N25.5Very low28.9Very low175 Ų175129.6 Ų129.694%0.93668%0.683SS**  trans-56.687150-82.2-34000107.9
788L27.1Very low29.5Very low130 Ų130125 Ų12568%0.68167%0.667SS**  trans-113.189.1-179.1-121.9153.1000110D786D786-L788 HydrophobicContact CB-CB 4.22Å; D786-L788 HydrophobicContact CB-CD1 3.77Å; D786-L788 HydrophobicContact CB-CG 4.29Å; D786-L788 PolarHBondContact O-N 3.05Å
789S27.1Very low30.1Very low75 Ų75122.4 Ų122.452%0.52465%0.652SS.*  trans54.5126.1149.468.10000117.7S791S789-S791 PolarHBondContact O-N 2.76Å
790V30Very low30.9Very low124 Ų124117.1 Ų117.175%0.75263%0.627SS**SBendtrans-47.487.2140.4178.20000106.9S792V790-S792 PolarHBondContact O-N 3.4Å; V790-S792 VanDerWaalsContact O-N 3.14Å
791S31.4Very low31.8Very low62 Ų62113.9 Ų113.943%0.43460%0.603SS.*  trans-79.8107.9-167.160.10000107.3S789 S793S789-S791 PolarHBondContact O-N 2.76Å; S791-S793 PolarHBondContact O-N 3.34Å; S791-S793 PolarHBondContact O-OG 3.2Å
792S34Very low32.7Very low77 Ų77110.9 Ų110.954%0.53859%0.589SS.*THydrogen-bonded Turntrans27.4-35.9149.755.30000120.5V790 T794 W795 I796V790-S792 PolarHBondContact O-N 3.4Å; V790-S792 VanDerWaalsContact O-N 3.14Å; S792-T794 PolarHBondContact O-N 2.75Å; S792-W795 PolarHBondContact O-N 3.44Å; S792-I796 WeakPolarHBondContact O-CB 2.98Å; S792-I796 WeakPolarHBondContact O-CD1 3.42Å; S792-I796 WeakPolarHBondContact O-CG1 3.4Å; S792-I796 PolarHBondContact O-N 3.11Å
793S37.2Very low33.5Very low51 Ų51105 Ų10536%0.35757%0.566SS.*Hα-helixtrans-53-42.9174.563.20000115S791 M797S791-S793 PolarHBondContact O-N 3.34Å; S791-S793 PolarHBondContact O-OG 3.2Å; S793-M797 VanDerWaalsContact O-CB 3.29Å; S793-M797 WeakPolarHBondContact O-CB 3.32Å; S793-M797 WeakPolarHBondContact O-CG 3.49Å; S793-M797 PolarHBondContact O-N 3.01Å
794T34.1Very low34.6Very low67 Ų67100.2 Ų100.241%0.41155%0.548SS..Hα-helixtrans-74.5-38.2-179.646.70000112.7S792 N798S792-T794 PolarHBondContact O-N 2.75Å; T794-N798 VanDerWaalsContact O-CG 3.27Å; T794-N798 PolarHBondContact O-N 2.93Å; T794-N798 VanDerWaalsContact O-N 3.15Å; T794-N798 PolarHBondContact O-ND2 3.41Å
795W33.2Very low35.5Very low179 Ų17995.7 Ų95.768%0.67853%0.529SS*.Hα-helixtrans-71.2-37.5173.7-88.576.1000112.4S792 N798 I799S792-W795 PolarHBondContact O-N 3.44Å; W795-N798 PolarHBondContact O-N 2.92Å; W795-I799 WeakPolarHBondContact O-CG1 3.09Å; W795-I799 PolarHBondContact O-N 2.91Å
796I36.6Very low36.6Very low105 Ų10591.8 Ų91.854%0.53851%0.513SS..Hα-helixtrans-69.9-35.3175-68167.1000110.9S792 N798 I799 S800S792-I796 WeakPolarHBondContact O-CB 2.98Å; S792-I796 WeakPolarHBondContact O-CD1 3.42Å; S792-I796 WeakPolarHBondContact O-CG1 3.4Å; S792-I796 PolarHBondContact O-N 3.11Å; I796-N798 VanDerWaalsContact C-N 3.33Å; I796-N798 PolarHBondContact O-N 2.9Å; I796-I799 PolarHBondContact O-N 2.93Å; I796-S800 VanDerWaalsContact O-CB 3.27Å; I796-S800 WeakPolarHBondContact O-CB 3.35Å; I796-S800 PolarHBondContact O-N 3.01Å; I796-S800 PolarHBondContact O-OG 2.94Å
797M34.7Very low37.6Very low80 Ų8090 Ų9039%0.39450%0.502SS..Hα-helixtrans-59.3-41.8169.7-91179.761.700112I753 S793 S800 T801I753-M797 HydrophobicContact CD1-CE 4.38Å; S793-M797 VanDerWaalsContact O-CB 3.29Å; S793-M797 WeakPolarHBondContact O-CB 3.32Å; S793-M797 WeakPolarHBondContact O-CG 3.49Å; S793-M797 PolarHBondContact O-N 3.01Å; M797-S800 WeakPolarHBondContact CA-OG 3.11Å; M797-S800 PolarHBondContact O-OG 2.83Å; M797-S800 VanDerWaalsContact O-OG 3.04Å; M797-T801 PolarHBondContact O-N 3.46Å; M797-T801 VanDerWaalsContact O-N 3.1Å; M797-T801 PolarHBondContact O-OG1 3.27Å
798N37Very low38.6Very low79 Ų7983.2 Ų83.242%0.42247%0.47SS..Hα-helixtrans-71.3-39.4-179.8-70.3-18.9000112.6T794 W795 I796 T801 L802T794-N798 VanDerWaalsContact O-CG 3.27Å; T794-N798 PolarHBondContact O-N 2.93Å; T794-N798 VanDerWaalsContact O-N 3.15Å; T794-N798 PolarHBondContact O-ND2 3.41Å; W795-N798 PolarHBondContact O-N 2.92Å; I796-N798 VanDerWaalsContact C-N 3.33Å; I796-N798 PolarHBondContact O-N 2.9Å; N798-T801 PolarHBondContact O-OG1 3.12Å; N798-T801 VanDerWaalsContact O-OG1 3.13Å; N798-L802 WeakPolarHBondContact O-CB 3.06Å; N798-L802 WeakPolarHBondContact O-CD1 3.41Å; N798-L802 WeakPolarHBondContact O-CG 3.46Å; N798-L802 PolarHBondContact O-N 3.01Å
799I41.9Very low39.7Very low97 Ų9781.5 Ų81.550%0.49746%0.455SS..Hα-helixtrans-72.2-39.5178-66.5168.3000110.9W795 I796 L802 C803W795-I799 WeakPolarHBondContact O-CG1 3.09Å; W795-I799 PolarHBondContact O-N 2.91Å; I796-I799 PolarHBondContact O-N 2.93Å; I799-L802 PolarHBondContact O-N 2.72Å; I799-C803 WeakPolarHBondContact O-CB 3.44Å; I799-C803 PolarHBondContact O-N 3.02Å; I799-C803 PolarHBondContact O-SG 2.86Å; I799-C803 VanDerWaalsContact O-SG 3.34Å
800S42.4Very low40.7Very low47 Ų4782.8 Ų82.833%0.32946%0.455SS..Hα-helixtrans-68-40.2178.854.90000112.6I796 M797 C803 I804I796-S800 VanDerWaalsContact O-CB 3.27Å; I796-S800 WeakPolarHBondContact O-CB 3.35Å; I796-S800 PolarHBondContact O-N 3.01Å; I796-S800 PolarHBondContact O-OG 2.94Å; M797-S800 WeakPolarHBondContact CA-OG 3.11Å; M797-S800 PolarHBondContact O-OG 2.83Å; M797-S800 VanDerWaalsContact O-OG 3.04Å; S800-C803 PolarHBondContact O-N 3.11Å; S800-I804 WeakPolarHBondContact O-CB 3.16Å; S800-I804 WeakPolarHBondContact O-CD1 3.19Å; S800-I804 WeakPolarHBondContact O-CG1 3.47Å; S800-I804 PolarHBondContact O-N 3.07Å
801T42.5Very low41.6Very low45 Ų4580.4 Ų80.428%0.27644%0.44SS..Hα-helixtrans-63.9-41.7173.3360000112.1M797 N798 I804 L805M797-T801 PolarHBondContact O-N 3.46Å; M797-T801 VanDerWaalsContact O-N 3.1Å; M797-T801 PolarHBondContact O-OG1 3.27Å; N798-T801 PolarHBondContact O-OG1 3.12Å; N798-T801 VanDerWaalsContact O-OG1 3.13Å; T801-I804 PolarHBondContact O-N 3.12Å; T801-L805 WeakPolarHBondContact O-CB 2.89Å; T801-L805 VanDerWaalsContact O-CG 3.27Å; T801-L805 WeakPolarHBondContact O-CG 3.45Å; T801-L805 PolarHBondContact O-N 2.6Å
802L43.7Very low42.4Very low118 Ų11881.7 Ų81.762%0.61845%0.446SS*.Hα-helixtrans-64.7-40.4173.6-79.6163.8000112.7N798 I799 S806N798-L802 WeakPolarHBondContact O-CB 3.06Å; N798-L802 WeakPolarHBondContact O-CD1 3.41Å; N798-L802 WeakPolarHBondContact O-CG 3.46Å; N798-L802 PolarHBondContact O-N 3.01Å; I799-L802 PolarHBondContact O-N 2.72Å; L802-S806 WeakPolarHBondContact O-CB 3.05Å; L802-S806 PolarHBondContact O-N 3.44Å; L802-S806 PolarHBondContact O-OG 2.8Å
803C44.3Very low43.1Very low61 Ų6181.7 Ų81.741%0.41244%0.437SS..Hα-helixtrans-64.8-40.8175.1-79.20000112.2I799 S800 S806 I807I799-C803 WeakPolarHBondContact O-CB 3.44Å; I799-C803 PolarHBondContact O-N 3.02Å; I799-C803 PolarHBondContact O-SG 2.86Å; I799-C803 VanDerWaalsContact O-SG 3.34Å; S800-C803 PolarHBondContact O-N 3.11Å; C803-S806 VanDerWaalsContact CA-OG 3.25Å; C803-S806 WeakPolarHBondContact CA-OG 3.31Å; C803-S806 PolarHBondContact O-N 2.77Å; C803-S806 PolarHBondContact O-OG 3.49Å; C803-I807 WeakPolarHBondContact O-CB 3.39Å; C803-I807 WeakPolarHBondContact O-CD1 3.02Å; C803-I807 WeakPolarHBondContact O-CG1 3.38Å; C803-I807 PolarHBondContact O-N 3.48Å
804I46.6Very low43.6Very low85 Ų8582.3 Ų82.344%0.43644%0.441SS..Hα-helixtrans-70.2-40.4179.1-68.3163.7000110.6S800 T801 S806 I807 A808S800-I804 WeakPolarHBondContact O-CB 3.16Å; S800-I804 WeakPolarHBondContact O-CD1 3.19Å; S800-I804 WeakPolarHBondContact O-CG1 3.47Å; S800-I804 PolarHBondContact O-N 3.07Å; T801-I804 PolarHBondContact O-N 3.12Å; I804-S806 VanDerWaalsContact C-N 3.34Å; I804-S806 PolarHBondContact O-N 3.31Å; I804-I807 PolarHBondContact O-N 2.55Å; I804-A808 VanDerWaalsContact O-CB 3.29Å; I804-A808 WeakPolarHBondContact O-CB 3.5Å; I804-A808 PolarHBondContact O-N 3.36Å
805L44.8Very low44.2Very low73 Ų7383.9 Ų83.938%0.38245%0.447SS..Hα-helixtrans-63.7-38.3174.4-74.8167.4000112.1T801 W809T801-L805 WeakPolarHBondContact O-CB 2.89Å; T801-L805 VanDerWaalsContact O-CG 3.27Å; T801-L805 WeakPolarHBondContact O-CG 3.45Å; T801-L805 PolarHBondContact O-N 2.6Å; L805-W809 WeakPolarHBondContact O-CB 3.42Å; L805-W809 PolarHBondContact O-N 3.23Å
806S46.2Very low44.7Very low57 Ų5777.9 Ų77.940%0.39944%0.436SS..Hα-helixtrans-74.2-34.8177.544.90000113L802 C803 I804 W809 L810L802-S806 WeakPolarHBondContact O-CB 3.05Å; L802-S806 PolarHBondContact O-N 3.44Å; L802-S806 PolarHBondContact O-OG 2.8Å; C803-S806 VanDerWaalsContact CA-OG 3.25Å; C803-S806 WeakPolarHBondContact CA-OG 3.31Å; C803-S806 PolarHBondContact O-N 2.77Å; C803-S806 PolarHBondContact O-OG 3.49Å; I804-S806 VanDerWaalsContact C-N 3.34Å; I804-S806 PolarHBondContact O-N 3.31Å; S806-W809 WeakPolarHBondContact O-CB 3.38Å; S806-W809 PolarHBondContact O-N 3.34Å; S806-L810 WeakPolarHBondContact O-CB 3.32Å; S806-L810 WeakPolarHBondContact O-CG 3.43Å; S806-L810 PolarHBondContact O-N 3.23Å
807I49.1Very low45.1Very low104 Ų10477 Ų7753%0.53343%0.432SS..Hα-helixtrans-68.2-43.4172.1-68.3164.4000110.7C803 I804 W809 L810 V811C803-I807 WeakPolarHBondContact O-CB 3.39Å; C803-I807 WeakPolarHBondContact O-CD1 3.02Å; C803-I807 WeakPolarHBondContact O-CG1 3.38Å; C803-I807 PolarHBondContact O-N 3.48Å; I804-I807 PolarHBondContact O-N 2.55Å; I807-W809 VanDerWaalsContact C-N 3.31Å; I807-W809 PolarHBondContact O-N 2.8Å; I807-L810 PolarHBondContact O-N 3.38Å; I807-V811 HydrophobicContact CG2-CG2 4.29Å; I807-V811 WeakPolarHBondContact O-CB 3.48Å; I807-V811 VanDerWaalsContact O-CG2 3.27Å; I807-V811 WeakPolarHBondContact O-CG2 3.36Å; I807-V811 PolarHBondContact O-N 3.27Å
808A46.2Very low45.7Very low31 Ų3177.7 Ų77.726%0.25644%0.436SS..Hα-helixtrans-60.7-41.2175.200000111.5I745 I804 T812I745-A808 HydrophobicContact CD1-CB 4.4Å; I804-A808 VanDerWaalsContact O-CB 3.29Å; I804-A808 WeakPolarHBondContact O-CB 3.5Å; I804-A808 PolarHBondContact O-N 3.36Å; A808-T812 WeakPolarHBondContact O-CG2 3.38Å; A808-T812 PolarHBondContact O-N 3.36Å; A808-T812 PolarHBondContact O-OG1 3.49Å
809W50.8Low46Very low95 Ų9577.7 Ų77.736%0.3644%0.439SS..Hα-helixtrans-57.9-54.8171.7-172.7-49000111.2L805 S806 I807 V811 T812 E813 F868L805-W809 WeakPolarHBondContact O-CB 3.42Å; L805-W809 PolarHBondContact O-N 3.23Å; S806-W809 WeakPolarHBondContact O-CB 3.38Å; S806-W809 PolarHBondContact O-N 3.34Å; I807-W809 VanDerWaalsContact C-N 3.31Å; I807-W809 PolarHBondContact O-N 2.8Å; W809-V811 VanDerWaalsContact C-N 3.29Å; W809-V811 PolarHBondContact O-N 2.78Å; W809-T812 PolarHBondContact O-N 3.3Å; W809-T812 VanDerWaalsContact O-N 3.15Å; W809-T812 PolarHBondContact O-OG1 3.08Å; W809-E813 WeakPolarHBondContact O-CB 3.44Å; W809-E813 PolarHBondContact O-N 2.81Å; W809-F868 HydrophobicContact CE3-CE2 4.43Å; W809-F868 HydrophobicContact CZ3-CD1 4.28Å; W809-F868 HydrophobicContact CZ3-CD2 4.35Å; W809-F868 HydrophobicContact CZ3-CE1 4.2Å; W809-F868 HydrophobicContact CZ3-CE2 4.29Å; W809-F868 HydrophobicContact CZ3-CG 4.35Å; W809-F868 HydrophobicContact CZ3-CZ 4.21Å
810L48Very low46Very low101 Ų10178.4 Ų78.453%0.52944%0.439SS..Hα-helixtrans-59-38.7-178.1-78.9163.6000112.6S806 I807 E813 S814S806-L810 WeakPolarHBondContact O-CB 3.32Å; S806-L810 WeakPolarHBondContact O-CG 3.43Å; S806-L810 PolarHBondContact O-N 3.23Å; I807-L810 PolarHBondContact O-N 3.38Å; L810-E813 PolarHBondContact O-N 3.43Å; L810-S814 WeakPolarHBondContact O-CB 3.33Å; L810-S814 PolarHBondContact O-N 3.22Å; L810-S814 PolarHBondContact O-OG 3.32Å
811V48.3Very low46Very low74 Ų7481.4 Ų81.445%0.44845%0.451SS..Hα-helixtrans-68.1-42.2177.8171.50000111I807 W809 E813 S814 L815I807-V811 HydrophobicContact CG2-CG2 4.29Å; I807-V811 WeakPolarHBondContact O-CB 3.48Å; I807-V811 VanDerWaalsContact O-CG2 3.27Å; I807-V811 WeakPolarHBondContact O-CG2 3.36Å; I807-V811 PolarHBondContact O-N 3.27Å; W809-V811 VanDerWaalsContact C-N 3.29Å; W809-V811 PolarHBondContact O-N 2.78Å; V811-E813 VanDerWaalsContact C-N 3.35Å; V811-E813 PolarHBondContact O-N 3.33Å; V811-S814 PolarHBondContact O-N 2.98Å; V811-L815 HydrophobicContact CG1-CD1 3.88Å; V811-L815 WeakPolarHBondContact O-CB 3.48Å; V811-L815 PolarHBondContact O-N 3.43Å
812T49.5Very low46.1Very low89 Ų8984.6 Ų84.655%0.54646%0.463SS..Hα-helixtrans-66.6-35.4175.658.60000112.9A808 W809 A816A808-T812 WeakPolarHBondContact O-CG2 3.38Å; A808-T812 PolarHBondContact O-N 3.36Å; A808-T812 PolarHBondContact O-OG1 3.49Å; W809-T812 PolarHBondContact O-N 3.3Å; W809-T812 VanDerWaalsContact O-N 3.15Å; W809-T812 PolarHBondContact O-OG1 3.08Å; T812-A816 WeakPolarHBondContact O-CB 3.42Å; T812-A816 PolarHBondContact O-N 3.29Å
813E47.4Very low45.8Very low78 Ų7885.1 Ų85.136%0.36446%0.462SS..Hα-helixtrans-69.3-39.5176.6-161.6171.4-154.800111.7W809 L810 V811 A816 N817W809-E813 WeakPolarHBondContact O-CB 3.44Å; W809-E813 PolarHBondContact O-N 2.81Å; L810-E813 PolarHBondContact O-N 3.43Å; V811-E813 VanDerWaalsContact C-N 3.35Å; V811-E813 PolarHBondContact O-N 3.33Å; E813-A816 PolarHBondContact O-N 3.47Å; E813-N817 PolarHBondContact O-N 3.29Å
814S49.1Very low45.7Very low63 Ų6385.8 Ų85.844%0.44146%0.462SS..Hα-helixtrans-65.2-44.3175.7-56.80000111.9L810 V811 N817 I818L810-S814 WeakPolarHBondContact O-CB 3.33Å; L810-S814 PolarHBondContact O-N 3.22Å; L810-S814 PolarHBondContact O-OG 3.32Å; V811-S814 PolarHBondContact O-N 2.98Å; S814-N817 PolarHBondContact O-N 2.88Å; S814-I818 WeakPolarHBondContact O-CD1 3.49Å; S814-I818 VanDerWaalsContact O-CG1 3.23Å; S814-I818 WeakPolarHBondContact O-CG1 3.16Å; S814-I818 PolarHBondContact O-N 3.41Å
815L46.4Very low45.3Very low101 Ų10184.4 Ų84.453%0.52946%0.46SS..Hα-helixtrans-66.5-40.6177-83.9155.7000112.1V811 N817 I818 T819V811-L815 HydrophobicContact CG1-CD1 3.88Å; V811-L815 WeakPolarHBondContact O-CB 3.48Å; V811-L815 PolarHBondContact O-N 3.43Å; L815-N817 PolarHBondContact O-N 2.86Å; L815-I818 PolarHBondContact O-N 2.97Å; L815-T819 WeakPolarHBondContact O-CG2 3.38Å; L815-T819 PolarHBondContact O-N 3.3Å; L815-T819 PolarHBondContact O-OG1 2.8Å
816A43.8Very low45.2Very low53 Ų5385.8 Ų85.844%0.43847%0.467SS..Hα-helixtrans-61.8-43.6175.200000111.7T812 E813 I818 T819 F820T812-A816 WeakPolarHBondContact O-CB 3.42Å; T812-A816 PolarHBondContact O-N 3.29Å; E813-A816 PolarHBondContact O-N 3.47Å; A816-I818 PolarHBondContact O-N 3.25Å; A816-T819 PolarHBondContact O-N 2.82Å; A816-T819 PolarHBondContact O-OG1 2.6Å; A816-F820 WeakPolarHBondContact O-CB 3.32Å; A816-F820 PolarHBondContact O-N 3.18Å
817N44.5Very low44.9Very low87 Ų8787.8 Ų87.847%0.46547%0.473SS..Hα-helixtrans-65.3-36.6176-87.7-18.6000113.2E813 S814 L815 F820 N821E813-N817 PolarHBondContact O-N 3.29Å; S814-N817 PolarHBondContact O-N 2.88Å; L815-N817 PolarHBondContact O-N 2.86Å; N817-F820 PolarHBondContact O-N 2.87Å; N817-N821 WeakPolarHBondContact O-CB 3.31Å; N817-N821 PolarHBondContact O-N 3.27Å
818I47.1Very low44.3Very low93 Ų9388.6 Ų88.648%0.47748%0.478SS..Hα-helixtrans-67-43.5177.1-69163.9000110.7S814 L815 A816 F820 N821 Q822S814-I818 WeakPolarHBondContact O-CD1 3.49Å; S814-I818 VanDerWaalsContact O-CG1 3.23Å; S814-I818 WeakPolarHBondContact O-CG1 3.16Å; S814-I818 PolarHBondContact O-N 3.41Å; L815-I818 PolarHBondContact O-N 2.97Å; A816-I818 PolarHBondContact O-N 3.25Å; I818-F820 PolarHBondContact O-N 2.91Å; I818-N821 PolarHBondContact O-N 3.27Å; I818-Q822 WeakPolarHBondContact O-CG 3.45Å; I818-Q822 PolarHBondContact O-N 2.83Å
819T44.2Very low43.9Very low79 Ų7993.5 Ų93.549%0.48550%0.5SS..Hα-helixtrans-65.6-37.1176.856.50000112.5L815 A816 Q822 Q823L815-T819 WeakPolarHBondContact O-CG2 3.38Å; L815-T819 PolarHBondContact O-N 3.3Å; L815-T819 PolarHBondContact O-OG1 2.8Å; A816-T819 PolarHBondContact O-N 2.82Å; A816-T819 PolarHBondContact O-OG1 2.6Å; T819-Q822 PolarHBondContact O-N 2.93Å; T819-Q823 PolarHBondContact O-N 2.88Å
820F40.9Very low43.2Very low112 Ų11295.4 Ų95.449%0.49152%0.517SS..Hα-helixtrans-70.5-36.8176.9-163-100.8000112.8A816 N817 I818 Q823 N824A816-F820 WeakPolarHBondContact O-CB 3.32Å; A816-F820 PolarHBondContact O-N 3.18Å; N817-F820 PolarHBondContact O-N 2.87Å; I818-F820 PolarHBondContact O-N 2.91Å; F820-Q823 PolarHBondContact O-N 2.98Å; F820-N824 VanDerWaalsContact CE1-ND2 3.35Å; F820-N824 WeakPolarHBondContact CE1-ND2 3.38Å; F820-N824 PolarHBondContact O-N 3.06Å; F820-N824 VanDerWaalsContact O-N 3.1Å
821N43.7Very low42.5Very low111 Ų11199.8 Ų99.859%0.59453%0.528SS*.Hα-helixtrans-69.7-35.4174.6-79.6-21.3000112.5N817 I818 N824 S825N817-N821 WeakPolarHBondContact O-CB 3.31Å; N817-N821 PolarHBondContact O-N 3.27Å; I818-N821 PolarHBondContact O-N 3.27Å; N821-N824 PolarHBondContact O-N 3.34Å; N821-S825 PolarHBondContact O-N 2.9Å
822Q43.3Very low41.8Very low112 Ų112105.2 Ų105.252%0.52355%0.549SS..Hα-helixtrans-68.3-34173-77.2-179.3-23.100112.3I818 T819 S825 I826I818-Q822 WeakPolarHBondContact O-CG 3.45Å; I818-Q822 PolarHBondContact O-N 2.83Å; T819-Q822 PolarHBondContact O-N 2.93Å; Q822-S825 PolarHBondContact O-N 3.07Å; Q822-S825 PolarHBondContact O-OG 2.8Å; Q822-S825 VanDerWaalsContact O-OG 3.12Å; Q822-I826 WeakPolarHBondContact O-CB 3.34Å; Q822-I826 WeakPolarHBondContact O-CD1 3.15Å; Q822-I826 WeakPolarHBondContact O-CG1 3.5Å; Q822-I826 PolarHBondContact O-N 2.81Å
823Q38.6Very low41Very low128 Ų128108.7 Ų108.760%0.59856%0.563SS**Hα-helixtrans-74.1-28.5177.2-135.7161.3-6.800112.9T819 F820 N827T819-Q823 PolarHBondContact O-N 2.88Å; F820-Q823 PolarHBondContact O-N 2.98Å; Q823-N827 WeakPolarHBondContact O-CB 2.97Å; Q823-N827 PolarHBondContact O-N 2.97Å; Q823-N827 PolarHBondContact O-ND2 3.24Å
824N40.2Very low40.2Very low75 Ų75112.8 Ų112.840%0.40159%0.587SS.*Hα-helixtrans-79.8-26.5171.5-79.2-30.2000113.6F820 N821 N828F820-N824 VanDerWaalsContact CE1-ND2 3.35Å; F820-N824 WeakPolarHBondContact CE1-ND2 3.38Å; F820-N824 PolarHBondContact O-N 3.06Å; F820-N824 VanDerWaalsContact O-N 3.1Å; N821-N824 PolarHBondContact O-N 3.34Å; N824-N828 PolarHBondContact O-N 2.87Å
825S40.1Very low39.3Very low57 Ų57117.5 Ų117.540%0.39961%0.607SS.*Hα-helixtrans-74.5-39.5171.377.90000111.5N821 Q822 N827 N828 D829N821-S825 PolarHBondContact O-N 2.9Å; Q822-S825 PolarHBondContact O-N 3.07Å; Q822-S825 PolarHBondContact O-OG 2.8Å; Q822-S825 VanDerWaalsContact O-OG 3.12Å; S825-N827 VanDerWaalsContact C-N 3.31Å; S825-N827 PolarHBondContact O-N 2.97Å; S825-N828 PolarHBondContact O-N 2.82Å; S825-D829 PolarHBondContact O-N 3.47Å
826I41.7Very low38.7Very low102 Ų102120 Ų12052%0.52362%0.619SS.*Hα-helixtrans-70.9-24.7179.1-66.5165.6000112.6Q822Q822-I826 WeakPolarHBondContact O-CB 3.34Å; Q822-I826 WeakPolarHBondContact O-CD1 3.15Å; Q822-I826 WeakPolarHBondContact O-CG1 3.5Å; Q822-I826 PolarHBondContact O-N 2.81Å
827N39.6Very low38.2Very low99 Ų99126 Ų12653%0.52964%0.638SS.*Hα-helixtrans-86.9-12.7173.7-81-29.4000114.4Q823 S825Q823-N827 WeakPolarHBondContact O-CB 2.97Å; Q823-N827 PolarHBondContact O-N 2.97Å; Q823-N827 PolarHBondContact O-ND2 3.24Å; S825-N827 VanDerWaalsContact C-N 3.31Å; S825-N827 PolarHBondContact O-N 2.97Å
828N37.8Very low37.6Very low121 Ų121131.6 Ų131.665%0.64766%0.658SS**Hα-helixtrans-92-25.3173.6-86.7-23000112.9N824 S825N824-N828 PolarHBondContact O-N 2.87Å; S825-N828 PolarHBondContact O-N 2.82Å
829D37.3Very low36.8Very low134 Ų134135.8 Ų135.872%0.71768%0.676SS**THydrogen-bonded Turntrans-82.4-10.8178.9-69.1-24.7000114S825S825-D829 PolarHBondContact O-N 3.47Å
830N36.6Very low36.2Very low135 Ų135139.5 Ų139.572%0.72269%0.691SS**THydrogen-bonded Turntrans-97.710.8173.4-82.5-34.4000114.4
831Y33.1Very low35.8Very low193 Ų193142.4 Ų142.476%0.75771%0.706SS**SBendtrans-116.715.2-179.5-96.6-84000115.1
832Q33.8Very low35.4Very low187 Ų187145.3 Ų145.387%0.87471%0.714SS**SBendtrans-119.618.3175.3-93-168.7-12.200115.8
833L31.9Very low35.1Very low162 Ų162149.8 Ų149.885%0.84873%0.731SS**SBendtrans-139.950.5176.3-118.4145.4000113.3
834L30.5Very low35.1Very low165 Ų165147.8 Ų147.886%0.86473%0.731SS**  trans-178.592.6140.7-123.987.7000109.2
835N30.4Very low35.1Very low162 Ų162148.9 Ų148.987%0.86674%0.737SS**  trans-100116.5153.4-108.4-12.5000106.2
836I34.4Very low35.2Very low154 Ų154154.8 Ų154.879%0.7976%0.755SS**  trans17184.9139.3-79.7150.2000107.1
837Q31.6Very low35Very low179 Ų179156.7 Ų156.784%0.83677%0.766SS**SBend174.2123.7121-96.3-178-7.700111.8
838K32.1Very low35.1Very low204 Ų204157.1 Ų157.189%0.88777%0.766SS**  trans87.989.5165.3-66.1-175.8175.61790118.7
839E30.4Very low35.3Very low180 Ų180156.2 Ų156.284%0.84176%0.762SS**  trans-49.4161.8149.3-76.1-170.3128.200115.5
840I31.5Very low35.6Very low158 Ų158154.8 Ų154.881%0.8175%0.754SS**  trans86.576.4164.9-52.6150.6000116.2
841Q32.8Very low35.8Very low173 Ų173155.5 Ų155.581%0.80875%0.753SS**SBendtrans-1740.2139.2-112.5179.3-7.300117
842K35.3Very low36.2Very low172 Ų172154.7 Ų154.775%0.74875%0.75SS**THydrogen-bonded Turntrans-106.333.8-168.3-84.6-176.9176.1177.60117.4
843K38.1Very low36.8Very low205 Ų205151.2 Ų151.289%0.89173%0.734SS**THydrogen-bonded Turntrans-101.8-7.2171.6-103.9-178.3178.1178.70115.6
844S38Very low37.5Very low86 Ų86149.3 Ų149.360%0.60172%0.723SS**SBendtrans-100-14.6176.3470000114.8
845I40.9Very low38Very low99 Ų99148.5 Ų148.551%0.50871%0.713SS.*SBendtrans-88.6-17.5-176.1-65.1170.3000112.9L847I845-L847 PolarHBondContact O-N 2.76Å
846K40.6Very low38.7Very low180 Ų180145.7 Ų145.778%0.78370%0.697SS**THydrogen-bonded Turntrans-79.4-14.8-174.7-129.1178-177.7-178.40114.8
847L37.6Very low39.2Very low143 Ų143145.4 Ų145.475%0.74969%0.687SS**THydrogen-bonded Turntrans-93.3-24178.1-96.6144.2000113.6I845I845-L847 PolarHBondContact O-N 2.76Å
848I42.1Very low39.8Very low107 Ų107144.2 Ų144.255%0.54968%0.676SS.*Hα-helixtrans-80.9-32-179.7-62.8174.1000111.6N850 Q851 Y852I848-N850 PolarHBondContact O-N 3.09Å; I848-Q851 PolarHBondContact O-N 3.18Å; I848-Y852 HydrophobicContact CG2-CD2 4.36Å; I848-Y852 PolarHBondContact O-N 3.14Å
849N42.7Very low40.4Very low102 Ų102141.7 Ų141.755%0.54566%0.662SS.*Hα-helixtrans-68.8-30.1179-88.93.9000114.3Q853N849-Q853 PolarHBondContact O-N 2.65Å
850N43.2Very low41.1Very low105 Ų105136.9 Ų136.956%0.56164%0.642SS**Hα-helixtrans-74-31.3179.3-87.83.2000113I848 I854I848-N850 PolarHBondContact O-N 3.09Å; N850-I854 WeakPolarHBondContact O-CD1 3.44Å; N850-I854 VanDerWaalsContact O-CG1 3.29Å; N850-I854 WeakPolarHBondContact O-CG1 3.3Å; N850-I854 PolarHBondContact O-N 2.8Å
851Q40.2Very low41.8Very low150 Ų150135 Ų13570%0.70163%0.625SS**Hα-helixtrans-75.9-33176.8-102-176.4-22.100113I848 K855I848-Q851 PolarHBondContact O-N 3.18Å; Q851-K855 PolarHBondContact O-N 3.46Å
852Y42.7Very low42.5Very low176 Ų176130.1 Ų130.169%0.6960%0.604SS**Hα-helixtrans-69.6-40.3175.1-101.8-91.5000112.4I848 I854 K855 L856I848-Y852 HydrophobicContact CG2-CD2 4.36Å; I848-Y852 PolarHBondContact O-N 3.14Å; Y852-I854 VanDerWaalsContact C-N 3.34Å; Y852-I854 PolarHBondContact O-N 3.19Å; Y852-K855 PolarHBondContact O-N 2.82Å; Y852-L856 WeakPolarHBondContact O-CB 3.26Å; Y852-L856 PolarHBondContact O-N 2.74Å
853Q46.1Very low43.1Very low113 Ų113125.4 Ų125.453%0.52859%0.587SS.*Hα-helixtrans-64.3-36.1176.9-77.8-171.9-19.600112.9N849 L856 Y857N849-Q853 PolarHBondContact O-N 2.65Å; Q853-L856 PolarHBondContact O-N 2.91Å; Q853-Y857 WeakPolarHBondContact O-CB 3.28Å; Q853-Y857 PolarHBondContact O-N 2.83Å
854I45.6Very low43.5Very low122 Ų122122.9 Ų122.963%0.62658%0.576SS**Hα-helixtrans-69.7-39.6178-66.1166.7000111.4N850 Y852 Y857 Y858N850-I854 WeakPolarHBondContact O-CD1 3.44Å; N850-I854 VanDerWaalsContact O-CG1 3.29Å; N850-I854 WeakPolarHBondContact O-CG1 3.3Å; N850-I854 PolarHBondContact O-N 2.8Å; Y852-I854 VanDerWaalsContact C-N 3.34Å; Y852-I854 PolarHBondContact O-N 3.19Å; I854-Y857 PolarHBondContact O-N 2.72Å; I854-Y858 PolarHBondContact O-N 2.84Å; I854-Y858 VanDerWaalsContact O-N 3.09Å
855K42.5Very low44Very low148 Ų148124.7 Ų124.764%0.64357%0.57SS**Hα-helixtrans-66-41.8174-87.2-175.9175.3-178.90112.1Q851 Y852 Y857 Y858 Y859Q851-K855 PolarHBondContact O-N 3.46Å; Y852-K855 PolarHBondContact O-N 2.82Å; K855-Y857 VanDerWaalsContact C-N 3.33Å; K855-Y857 PolarHBondContact O-N 2.83Å; K855-Y858 PolarHBondContact O-N 3.47Å; K855-Y859 WeakPolarHBondContact O-CD2 3.13Å; K855-Y859 PolarHBondContact O-N 2.01Å
856L44.3Very low44.4Very low103 Ų103128.5 Ų128.554%0.53958%0.578SS.*Hα-helixtrans-61-42.1177.1-166.474.2000111.4Y852 Q853 Y858 Y859 L860Y852-L856 WeakPolarHBondContact O-CB 3.26Å; Y852-L856 PolarHBondContact O-N 2.74Å; Q853-L856 PolarHBondContact O-N 2.91Å; L856-Y858 PolarHBondContact O-N 2.69Å; L856-Y859 PolarHBondContact O-N 2.8Å; L856-L860 HydrophobicContact CG-CD1 4.12Å; L856-L860 WeakPolarHBondContact O-CB 3.36Å; L856-L860 WeakPolarHBondContact O-CG 3.46Å; L856-L860 PolarHBondContact O-N 2.99Å
857Y44Very low44.7Very low148 Ų148123.6 Ų123.658%0.5856%0.56SS**Hα-helixtrans-63.7-40.6176.1-158.6-91.7000112.1Q853 I854 K855 Y861Q853-Y857 WeakPolarHBondContact O-CB 3.28Å; Q853-Y857 PolarHBondContact O-N 2.83Å; I854-Y857 PolarHBondContact O-N 2.72Å; K855-Y857 VanDerWaalsContact C-N 3.33Å; K855-Y857 PolarHBondContact O-N 2.83Å; Y857-Y861 VanDerWaalsContact O-CB 3.31Å; Y857-Y861 WeakPolarHBondContact O-CB 3.5Å; Y857-Y861 PolarHBondContact O-N 3.31Å
858Y44.1Very low45.2Very low154 Ų154120 Ų12060%0.60454%0.538SS*.Hα-helixtrans-67.3-39.9178.6-163.2-99.7000113I854 K855 L856 Y861 L862I854-Y858 PolarHBondContact O-N 2.84Å; I854-Y858 VanDerWaalsContact O-N 3.09Å; K855-Y858 PolarHBondContact O-N 3.47Å; L856-Y858 PolarHBondContact O-N 2.69Å; Y858-Y861 PolarHBondContact O-N 2.81Å; Y858-L862 HydrophobicContact CD1-CD1 3.68Å; Y858-L862 HydrophobicContact CE1-CD1 3.45Å; Y858-L862 VanDerWaalsContact CE1-CD1 3.45Å; Y858-L862 HydrophobicContact CE1-CG 4.42Å; Y858-L862 PolarHBondContact O-N 3.42Å
859Y46.6Very low45.6Very low151 Ų151118.2 Ų118.259%0.59253%0.529SS*.Hα-helixtrans-69.8-41.7175.6-87.7-79.2000112.5K855 L856 Y861 L862 I863K855-Y859 WeakPolarHBondContact O-CD2 3.13Å; K855-Y859 PolarHBondContact O-N 2.01Å; L856-Y859 PolarHBondContact O-N 2.8Å; Y859-Y861 VanDerWaalsContact C-N 3.27Å; Y859-Y861 PolarHBondContact O-N 3.07Å; Y859-L862 PolarHBondContact O-N 3.11Å; Y859-I863 WeakPolarHBondContact O-CB 3.33Å; Y859-I863 WeakPolarHBondContact O-CD1 3.33Å; Y859-I863 VanDerWaalsContact O-CG1 3.25Å; Y859-I863 WeakPolarHBondContact O-CG1 3.29Å; Y859-I863 PolarHBondContact O-N 2.99Å
860L44.8Very low46Very low79 Ų79118 Ų11841%0.41453%0.527SS..Hα-helixtrans-61.6-36.9173.2-77.4163.8000111.8L856 K864L856-L860 HydrophobicContact CG-CD1 4.12Å; L856-L860 WeakPolarHBondContact O-CB 3.36Å; L856-L860 WeakPolarHBondContact O-CG 3.46Å; L856-L860 PolarHBondContact O-N 2.99Å; L860-K864 WeakPolarHBondContact O-CB 3.23Å; L860-K864 WeakPolarHBondContact O-CG 3.33Å; L860-K864 PolarHBondContact O-N 2.8Å
861Y46.4Very low46.2Very low118 Ų118117.5 Ų117.546%0.46352%0.524SS..Hα-helixtrans-65.3-46.9175.2-167.9-92.4000112Y857 Y858 Y859 I863 K864 Y865Y857-Y861 VanDerWaalsContact O-CB 3.31Å; Y857-Y861 WeakPolarHBondContact O-CB 3.5Å; Y857-Y861 PolarHBondContact O-N 3.31Å; Y858-Y861 PolarHBondContact O-N 2.81Å; Y859-Y861 VanDerWaalsContact C-N 3.27Å; Y859-Y861 PolarHBondContact O-N 3.07Å; Y861-I863 PolarHBondContact O-N 3.17Å; Y861-K864 PolarHBondContact O-N 3.41Å; Y861-Y865 WeakPolarHBondContact O-CB 3.4Å; Y861-Y865 PolarHBondContact O-N 3.31Å
862L47.5Very low46.5Very low71 Ų71113.4 Ų113.437%0.37251%0.506SS..Hα-helixtrans-63.6-38.2176.6-87.2160.4000113.2Y858 Y859 Y865 R866Y858-L862 HydrophobicContact CD1-CD1 3.68Å; Y858-L862 HydrophobicContact CE1-CD1 3.45Å; Y858-L862 VanDerWaalsContact CE1-CD1 3.45Å; Y858-L862 HydrophobicContact CE1-CG 4.42Å; Y858-L862 PolarHBondContact O-N 3.42Å; Y859-L862 PolarHBondContact O-N 3.11Å; L862-Y865 PolarHBondContact O-N 3.36Å; L862-R866 WeakPolarHBondContact O-CG 3.19Å; L862-R866 PolarHBondContact O-N 3.4Å; L862-R866 VanDerWaalsContact O-N 3.09Å
863I48Very low46.9Very low74 Ų74109 Ų10938%0.37949%0.494SS..Hα-helixtrans-71.6-43178.3-68.2166.1000110.6Y859 Y861 Y865 R866 I867Y859-I863 WeakPolarHBondContact O-CB 3.33Å; Y859-I863 WeakPolarHBondContact O-CD1 3.33Å; Y859-I863 VanDerWaalsContact O-CG1 3.25Å; Y859-I863 WeakPolarHBondContact O-CG1 3.29Å; Y859-I863 PolarHBondContact O-N 2.99Å; Y861-I863 PolarHBondContact O-N 3.17Å; I863-Y865 VanDerWaalsContact C-N 3.29Å; I863-Y865 PolarHBondContact O-N 3.29Å; I863-R866 PolarHBondContact O-N 3.26Å; I863-I867 HydrophobicContact CG2-CD1 4.01Å; I863-I867 WeakPolarHBondContact O-CG1 3.32Å; I863-I867 PolarHBondContact O-N 3.44Å
864K46.5Very low46.9Very low152 Ų152108 Ų10866%0.66149%0.49SS*.Hα-helixtrans-58.9-40.6171.9-80.5-177.5175.7-174.80111.8L860 Y861 R866 I867 F868L860-K864 WeakPolarHBondContact O-CB 3.23Å; L860-K864 WeakPolarHBondContact O-CG 3.33Å; L860-K864 PolarHBondContact O-N 2.8Å; Y861-K864 PolarHBondContact O-N 3.41Å; K864-R866 PolarHBondContact O-N 2.84Å; K864-I867 PolarHBondContact O-N 3.06Å; K864-F868 VanDerWaalsContact O-CB 3.3Å; K864-F868 WeakPolarHBondContact O-CB 3.3Å; K864-F868 PolarHBondContact O-N 3.45Å
865Y48.1Very low46.8Very low123 Ų123105.5 Ų105.548%0.48248%0.484SS..Hα-helixtrans-63.4-39.9177.1-160.5-99.4000112.3Y861 L862 I863 F868 I869Y861-Y865 WeakPolarHBondContact O-CB 3.4Å; Y861-Y865 PolarHBondContact O-N 3.31Å; L862-Y865 PolarHBondContact O-N 3.36Å; I863-Y865 VanDerWaalsContact C-N 3.29Å; I863-Y865 PolarHBondContact O-N 3.29Å; Y865-F868 PolarHBondContact O-N 3.12Å; Y865-I869 HydrophobicContact CD1-CD1 3.68Å; Y865-I869 HydrophobicContact CD1-CG1 4.43Å; Y865-I869 HydrophobicContact CE1-CD1 3.57Å; Y865-I869 HydrophobicContact CE1-CG1 4.37Å; Y865-I869 WeakPolarHBondContact O-CG1 3.47Å; Y865-I869 PolarHBondContact O-N 3.09Å
866R48Very low46.9Very low179 Ų179103.2 Ų103.268%0.67548%0.478SS*.Hα-helixtrans-68.7-40.6175.8-74.5-178.7176.6-168.8-0.6113L862 I863 K864 F868 I869 I870L862-R866 WeakPolarHBondContact O-CG 3.19Å; L862-R866 PolarHBondContact O-N 3.4Å; L862-R866 VanDerWaalsContact O-N 3.09Å; I863-R866 PolarHBondContact O-N 3.26Å; K864-R866 PolarHBondContact O-N 2.84Å; R866-F868 VanDerWaalsContact C-N 3.32Å; R866-I869 PolarHBondContact O-N 3.19Å; R866-I870 VanDerWaalsContact O-CG1 3.32Å; R866-I870 WeakPolarHBondContact O-CG1 2.98Å; R866-I870 PolarHBondContact O-N 2.75Å
867I47.2Very low46.9Very low77 Ų77106.1 Ų106.140%0.39548%0.483SS..Hα-helixtrans-64.7-40.2174.7-68169.1000110.4I863 K864 I869 I870 L871I863-I867 HydrophobicContact CG2-CD1 4.01Å; I863-I867 WeakPolarHBondContact O-CG1 3.32Å; I863-I867 PolarHBondContact O-N 3.44Å; K864-I867 PolarHBondContact O-N 3.06Å; I867-I869 PolarHBondContact O-N 3.47Å; I867-I870 PolarHBondContact O-N 2.95Å; I867-L871 HydrophobicContact CG2-CD1 3.81Å; I867-L871 HydrophobicContact CG2-CG 4.33Å; I867-L871 WeakPolarHBondContact O-CB 3.48Å; I867-L871 WeakPolarHBondContact O-CG 3.44Å; I867-L871 PolarHBondContact O-N 3.08Å
868F47.8Very low46.7Very low69 Ų69104 Ų10430%0.30348%0.479SS..Hα-helixtrans-62.1-41.8174.6-174.5-109.1000111.9W809 K864 Y865 R866 L871 I872W809-F868 HydrophobicContact CE3-CE2 4.43Å; W809-F868 HydrophobicContact CZ3-CD1 4.28Å; W809-F868 HydrophobicContact CZ3-CD2 4.35Å; W809-F868 HydrophobicContact CZ3-CE1 4.2Å; W809-F868 HydrophobicContact CZ3-CE2 4.29Å; W809-F868 HydrophobicContact CZ3-CG 4.35Å; W809-F868 HydrophobicContact CZ3-CZ 4.21Å; K864-F868 VanDerWaalsContact O-CB 3.3Å; K864-F868 WeakPolarHBondContact O-CB 3.3Å; K864-F868 PolarHBondContact O-N 3.45Å; Y865-F868 PolarHBondContact O-N 3.12Å; R866-F868 VanDerWaalsContact C-N 3.32Å; F868-L871 PolarHBondContact O-N 3Å; F868-I872 HydrophobicContact CD1-CD1 3.6Å; F868-I872 HydrophobicContact CE1-CD1 3.24Å; F868-I872 HydrophobicContact CE1-CG1 4.33Å; F868-I872 HydrophobicContact CE2-CD1 4.27Å; F868-I872 HydrophobicContact CG-CD1 4.27Å; F868-I872 HydrophobicContact CZ-CD1 3.61Å; F868-I872 HydrophobicContact CZ-CG1 4.38Å; F868-I872 WeakPolarHBondContact O-CB 3.49Å; F868-I872 VanDerWaalsContact O-CG1 3.26Å; F868-I872 WeakPolarHBondContact O-CG1 3.3Å; F868-I872 PolarHBondContact O-N 2.9Å
869I51.9Low46.5Very low69 Ų69100.7 Ų100.735%0.35447%0.472SS..Hα-helixtrans-64-43.5173.5-71.5170.3000111.5Y865 R866 I867 I872 I873Y865-I869 HydrophobicContact CD1-CD1 3.68Å; Y865-I869 HydrophobicContact CD1-CG1 4.43Å; Y865-I869 HydrophobicContact CE1-CD1 3.57Å; Y865-I869 HydrophobicContact CE1-CG1 4.37Å; Y865-I869 WeakPolarHBondContact O-CG1 3.47Å; Y865-I869 PolarHBondContact O-N 3.09Å; R866-I869 PolarHBondContact O-N 3.19Å; I867-I869 PolarHBondContact O-N 3.47Å; I869-I872 PolarHBondContact O-N 2.84Å; I869-I873 HydrophobicContact CG2-CD1 3.72Å; I869-I873 HydrophobicContact CG2-CG1 4.37Å; I869-I873 VanDerWaalsContact O-CG1 3.23Å; I869-I873 WeakPolarHBondContact O-CG1 3.17Å; I869-I873 PolarHBondContact O-N 2.88Å
870I50.7Low46.2Very low98 Ų9898 Ų9850%0.50347%0.468SS..Hα-helixtrans-65.9-42.8179.2-69.4166.4000110.9R866 I867 I872 I873 I874R866-I870 VanDerWaalsContact O-CG1 3.32Å; R866-I870 WeakPolarHBondContact O-CG1 2.98Å; R866-I870 PolarHBondContact O-N 2.75Å; I867-I870 PolarHBondContact O-N 2.95Å; I870-I872 VanDerWaalsContact C-N 3.35Å; I870-I873 PolarHBondContact O-N 2.88Å; I870-I874 HydrophobicContact CG2-CD1 3.82Å; I870-I874 HydrophobicContact CG2-CG1 4.47Å; I870-I874 VanDerWaalsContact O-CG1 3.3Å; I870-I874 WeakPolarHBondContact O-CG1 3.37Å; I870-I874 PolarHBondContact O-N 3.14Å
871L46.4Very low45.9Very low94 Ų9498.7 Ų98.749%0.49247%0.472SS..Hα-helixtrans-63.6-40.3173.9-75.9168.5000111.1I867 F868 I873 I874 S875I867-L871 HydrophobicContact CG2-CD1 3.81Å; I867-L871 HydrophobicContact CG2-CG 4.33Å; I867-L871 WeakPolarHBondContact O-CB 3.48Å; I867-L871 WeakPolarHBondContact O-CG 3.44Å; I867-L871 PolarHBondContact O-N 3.08Å; F868-L871 PolarHBondContact O-N 3Å; L871-I873 PolarHBondContact O-N 3.35Å; L871-I874 PolarHBondContact O-N 3.14Å; L871-S875 WeakPolarHBondContact O-CB 3.43Å; L871-S875 PolarHBondContact O-N 3.38Å; L871-S875 PolarHBondContact O-OG 3.43Å
872I48Very low45.5Very low64 Ų6498.1 Ų98.133%0.32847%0.469SS..Hα-helixtrans-60.5-43.7171.5-78.4172.7000111.1F868 I869 I870 S875 I876F868-I872 HydrophobicContact CD1-CD1 3.6Å; F868-I872 HydrophobicContact CE1-CD1 3.24Å; F868-I872 HydrophobicContact CE1-CG1 4.33Å; F868-I872 HydrophobicContact CE2-CD1 4.27Å; F868-I872 HydrophobicContact CG-CD1 4.27Å; F868-I872 HydrophobicContact CZ-CD1 3.61Å; F868-I872 HydrophobicContact CZ-CG1 4.38Å; F868-I872 WeakPolarHBondContact O-CB 3.49Å; F868-I872 VanDerWaalsContact O-CG1 3.26Å; F868-I872 WeakPolarHBondContact O-CG1 3.3Å; F868-I872 PolarHBondContact O-N 2.9Å; I869-I872 PolarHBondContact O-N 2.84Å; I870-I872 VanDerWaalsContact C-N 3.35Å; I872-S875 CarbonylContact O-C 3.39Å; I872-S875 PolarHBondContact O-N 3.34Å; I872-I876 HydrophobicContact CG2-CD1 3.45Å; I872-I876 VanDerWaalsContact CG2-CD1 3.45Å; I872-I876 HydrophobicContact CG2-CG1 4.15Å; I872-I876 VanDerWaalsContact O-CB 3.28Å; I872-I876 WeakPolarHBondContact O-CB 3.44Å; I872-I876 WeakPolarHBondContact O-CG1 3.29Å; I872-I876 PolarHBondContact O-N 2.95Å
873I49.8Very low45.2Very low84 Ų8498.4 Ų98.443%0.43147%0.47SS..Hα-helixtrans-64.6-44.3179.3-69.9164.3000110.7I869 I870 L871 I876 Y877I869-I873 HydrophobicContact CG2-CD1 3.72Å; I869-I873 HydrophobicContact CG2-CG1 4.37Å; I869-I873 VanDerWaalsContact O-CG1 3.23Å; I869-I873 WeakPolarHBondContact O-CG1 3.17Å; I869-I873 PolarHBondContact O-N 2.88Å; I870-I873 PolarHBondContact O-N 2.88Å; L871-I873 PolarHBondContact O-N 3.35Å; I873-I876 PolarHBondContact O-N 2.94Å; I873-Y877 HydrophobicContact CG2-CD2 4.14Å; I873-Y877 HydrophobicContact CG2-CE2 4.49Å; I873-Y877 PolarHBondContact O-N 3.25Å
874I46.4Very low44.7Very low90 Ų9097.1 Ų97.146%0.46246%0.463SS..Hα-helixtrans-63.9-45175.7-67.5166.7000110I870 L871 I876 Y877 M878I870-I874 HydrophobicContact CG2-CD1 3.82Å; I870-I874 HydrophobicContact CG2-CG1 4.47Å; I870-I874 VanDerWaalsContact O-CG1 3.3Å; I870-I874 WeakPolarHBondContact O-CG1 3.37Å; I870-I874 PolarHBondContact O-N 3.14Å; L871-I874 PolarHBondContact O-N 3.14Å; I874-I876 VanDerWaalsContact C-N 3.34Å; I874-I876 PolarHBondContact O-N 3.04Å; I874-Y877 PolarHBondContact O-N 3.43Å; I874-M878 HydrophobicContact CG2-CG 4.35Å; I874-M878 WeakPolarHBondContact O-CB 3.36Å; I874-M878 WeakPolarHBondContact O-CG 3.08Å; I874-M878 PolarHBondContact O-N 3.21Å
875S43.8Very low44.4Very low70 Ų7094.4 Ų94.449%0.4945%0.452SS..Hα-helixtrans-63.5-37.1176.3-66.40000111.9L871 I872 L879L871-S875 WeakPolarHBondContact O-CB 3.43Å; L871-S875 PolarHBondContact O-N 3.38Å; L871-S875 PolarHBondContact O-OG 3.43Å; I872-S875 CarbonylContact O-C 3.39Å; I872-S875 PolarHBondContact O-N 3.34Å; S875-L879 WeakPolarHBondContact O-CA 3.31Å; S875-L879 WeakPolarHBondContact O-CB 3.35Å; S875-L879 PolarHBondContact O-N 3.26Å
876I45.1Very low43.9Very low100 Ų10091.8 Ų91.851%0.51345%0.446SS..Hα-helixtrans-69.4-41175.4-73.8168.7000111I872 I873 I874 L879 N880I872-I876 HydrophobicContact CG2-CD1 3.45Å; I872-I876 VanDerWaalsContact CG2-CD1 3.45Å; I872-I876 HydrophobicContact CG2-CG1 4.15Å; I872-I876 VanDerWaalsContact O-CB 3.28Å; I872-I876 WeakPolarHBondContact O-CB 3.44Å; I872-I876 WeakPolarHBondContact O-CG1 3.29Å; I872-I876 PolarHBondContact O-N 2.95Å; I873-I876 PolarHBondContact O-N 2.94Å; I874-I876 VanDerWaalsContact C-N 3.34Å; I874-I876 PolarHBondContact O-N 3.04Å; I876-L879 WeakPolarHBondContact O-CB 3.02Å; I876-L879 PolarHBondContact O-N 3.2Å; I876-N880 PolarHBondContact O-N 3.08Å
877Y43Very low43.4Very low165 Ų16588.2 Ų88.265%0.64744%0.437SS*.Hα-helixtrans-62.8-46.8174.5-103.1-86000111.1I873 I874 L879 N880 D881I873-Y877 HydrophobicContact CG2-CD2 4.14Å; I873-Y877 HydrophobicContact CG2-CE2 4.49Å; I873-Y877 PolarHBondContact O-N 3.25Å; I874-Y877 PolarHBondContact O-N 3.43Å; Y877-L879 VanDerWaalsContact C-N 3.31Å; Y877-L879 PolarHBondContact O-N 3.1Å; Y877-N880 PolarHBondContact O-N 3.49Å; Y877-D881 PolarHBondContact O-N 3.11Å
878M40.5Very low43Very low103 Ų10388.6 Ų88.651%0.50744%0.439SS..Hα-helixtrans-64.4-35.9173.2-64.5-71.4-72.400111.3I874 N880 D881 W882I874-M878 HydrophobicContact CG2-CG 4.35Å; I874-M878 WeakPolarHBondContact O-CB 3.36Å; I874-M878 WeakPolarHBondContact O-CG 3.08Å; I874-M878 PolarHBondContact O-N 3.21Å; M878-N880 VanDerWaalsContact C-N 3.31Å; M878-N880 PolarHBondContact O-N 2.81Å; M878-D881 PolarHBondContact O-N 3.04Å; M878-W882 WeakPolarHBondContact O-CB 3.48Å; M878-W882 PolarHBondContact O-N 3.42Å
879L39.9Very low42.4Very low85 Ų8588.3 Ų88.345%0.44544%0.44SS..Hα-helixtrans-64.7-36.2176.7-141.586.8000111.2S875 I876 Y877 W882 I883S875-L879 WeakPolarHBondContact O-CA 3.31Å; S875-L879 WeakPolarHBondContact O-CB 3.35Å; S875-L879 PolarHBondContact O-N 3.26Å; I876-L879 WeakPolarHBondContact O-CB 3.02Å; I876-L879 PolarHBondContact O-N 3.2Å; Y877-L879 VanDerWaalsContact C-N 3.31Å; Y877-L879 PolarHBondContact O-N 3.1Å; L879-W882 CarbonylContact O-C 3.59Å; L879-W882 PolarHBondContact O-N 2.84Å; L879-I883 HydrophobicContact CD2-CD1 3.93Å; L879-I883 HydrophobicContact CG-CD1 4.2Å; L879-I883 VanDerWaalsContact O-CB 3.29Å; L879-I883 WeakPolarHBondContact O-CB 3.42Å; L879-I883 WeakPolarHBondContact O-CD1 3.48Å; L879-I883 WeakPolarHBondContact O-CG1 3.48Å; L879-I883 PolarHBondContact O-N 3.22Å
880N40.5Very low41.5Very low95 Ų9591.2 Ų91.251%0.50845%0.45SS..Hα-helixtrans-68.5-40.7179.6-159.743.1000110.8I876 Y877 M878 I883 L884I876-N880 PolarHBondContact O-N 3.08Å; Y877-N880 PolarHBondContact O-N 3.49Å; M878-N880 VanDerWaalsContact C-N 3.31Å; M878-N880 PolarHBondContact O-N 2.81Å; N880-I883 PolarHBondContact O-N 2.8Å; N880-L884 WeakPolarHBondContact O-CG 3.17Å; N880-L884 PolarHBondContact O-N 2.82Å; N880-L884 VanDerWaalsContact O-N 3.07Å
881D38.5Very low40.8Very low93 Ų9392.3 Ų92.350%0.49745%0.452SS..Hα-helixtrans-66.8-37.6172-69.2-19.4000111.6Y877 M878 F885Y877-D881 PolarHBondContact O-N 3.11Å; M878-D881 PolarHBondContact O-N 3.04Å; D881-F885 VanDerWaalsContact O-CB 3.24Å; D881-F885 WeakPolarHBondContact O-CB 3.31Å; D881-F885 PolarHBondContact O-N 3.43Å
882W38.3Very low40.2Very low106 Ų10693.2 Ų93.240%0.40246%0.456SS..Hα-helixtrans-71.9-33.5175.4-90.987.3000113.7M878 L879 F885 I886M878-W882 WeakPolarHBondContact O-CB 3.48Å; M878-W882 PolarHBondContact O-N 3.42Å; L879-W882 CarbonylContact O-C 3.59Å; L879-W882 PolarHBondContact O-N 2.84Å; W882-F885 HydrophobicContact CE3-CD1 4.12Å; W882-F885 HydrophobicContact CZ3-CD1 4.17Å; W882-F885 HydrophobicContact CZ3-CE1 4.31Å; W882-F885 PolarHBondContact O-N 3.49Å; W882-I886 HydrophobicContact CE3-CD1 4.19Å; W882-I886 HydrophobicContact CE3-CG1 4.37Å; W882-I886 WeakPolarHBondContact O-CB 3.46Å; W882-I886 VanDerWaalsContact O-CG1 3.22Å; W882-I886 WeakPolarHBondContact O-CG1 3.5Å; W882-I886 PolarHBondContact O-N 2.92Å
883I40.3Very low39.2Very low77 Ų7796.8 Ų96.840%0.39548%0.476SS..Hα-helixtrans-68.5-44.3174.9-75.3164.1000109.3L879 N880 F885 I886 E887L879-I883 HydrophobicContact CD2-CD1 3.93Å; L879-I883 HydrophobicContact CG-CD1 4.2Å; L879-I883 VanDerWaalsContact O-CB 3.29Å; L879-I883 WeakPolarHBondContact O-CB 3.42Å; L879-I883 WeakPolarHBondContact O-CD1 3.48Å; L879-I883 WeakPolarHBondContact O-CG1 3.48Å; L879-I883 PolarHBondContact O-N 3.22Å; N880-I883 PolarHBondContact O-N 2.8Å; I883-F885 VanDerWaalsContact C-N 3.28Å; I883-F885 PolarHBondContact O-N 3.31Å; I883-I886 PolarHBondContact O-N 3.22Å; I883-E887 WeakPolarHBondContact O-CB 3.4Å; I883-E887 WeakPolarHBondContact O-CG 3.33Å; I883-E887 PolarHBondContact O-N 3.17Å
884L38.5Very low38.1Very low46 Ų46102.9 Ų102.924%0.24150%0.495CS..Hα-helixtrans-61.5-38.2172.6-75.4163.6000111.6N880 N888N880-L884 WeakPolarHBondContact O-CG 3.17Å; N880-L884 PolarHBondContact O-N 2.82Å; N880-L884 VanDerWaalsContact O-N 3.07Å; L884-N888 VanDerWaalsContact O-CG 3.26Å; L884-N888 PolarHBondContact O-N 2.87Å; L884-N888 VanDerWaalsContact O-N 3.15Å; L884-N888 PolarHBondContact O-ND2 3.19Å
885F39.4Very low37.3Very low96 Ų96111.3 Ų111.342%0.42152%0.521SS..Hα-helixtrans-67.9-42.1175.9-175.4-107.2000113D881 W882 I883 N888 I889D881-F885 VanDerWaalsContact O-CB 3.24Å; D881-F885 WeakPolarHBondContact O-CB 3.31Å; D881-F885 PolarHBondContact O-N 3.43Å; W882-F885 HydrophobicContact CE3-CD1 4.12Å; W882-F885 HydrophobicContact CZ3-CD1 4.17Å; W882-F885 HydrophobicContact CZ3-CE1 4.31Å; W882-F885 PolarHBondContact O-N 3.49Å; I883-F885 VanDerWaalsContact C-N 3.28Å; I883-F885 PolarHBondContact O-N 3.31Å; F885-N888 PolarHBondContact O-N 3.47Å; F885-I889 HydrophobicContact CD1-CD1 3.7Å; F885-I889 HydrophobicContact CE1-CD1 3.33Å; F885-I889 HydrophobicContact CE1-CG1 4.47Å; F885-I889 HydrophobicContact CE2-CD1 4.49Å; F885-I889 HydrophobicContact CG-CD1 4.43Å; F885-I889 HydrophobicContact CZ-CD1 3.78Å; F885-I889 WeakPolarHBondContact O-CG1 3.45Å; F885-I889 PolarHBondContact O-N 3.45Å
886I37.8Very low37Very low68 Ų68113.4 Ų113.435%0.34952%0.522SS..Hα-helixtrans-72.5-35.8177.6-70.1167.9000111.6W882 I883 N888 I889 K890W882-I886 HydrophobicContact CE3-CD1 4.19Å; W882-I886 HydrophobicContact CE3-CG1 4.37Å; W882-I886 WeakPolarHBondContact O-CB 3.46Å; W882-I886 VanDerWaalsContact O-CG1 3.22Å; W882-I886 WeakPolarHBondContact O-CG1 3.5Å; W882-I886 PolarHBondContact O-N 2.92Å; I883-I886 PolarHBondContact O-N 3.22Å; I886-N888 VanDerWaalsContact C-N 3.25Å; I886-N888 PolarHBondContact O-N 3.46Å; I886-I889 PolarHBondContact O-N 2.94Å; I886-K890 PolarHBondContact O-N 3.05Å
887E37.9Very low36.5Very low104 Ų104114.1 Ų114.149%0.48652%0.523SS..Hα-helixtrans-61.2-36.3171.6-79-176167.700111.2I883 F891I883-E887 WeakPolarHBondContact O-CB 3.4Å; I883-E887 WeakPolarHBondContact O-CG 3.33Å; I883-E887 PolarHBondContact O-N 3.17Å; E887-F891 WeakPolarHBondContact O-CD2 3.44Å
888N37.9Very low36.2Very low85 Ų85111.3 Ų111.346%0.45552%0.516SS..Hα-helixtrans-72.3-33.7173.8-71.7-20.1000113.2L884 F885 I886 F891L884-N888 VanDerWaalsContact O-CG 3.26Å; L884-N888 PolarHBondContact O-N 2.87Å; L884-N888 VanDerWaalsContact O-N 3.15Å; L884-N888 PolarHBondContact O-ND2 3.19Å; F885-N888 PolarHBondContact O-N 3.47Å; I886-N888 VanDerWaalsContact C-N 3.25Å; I886-N888 PolarHBondContact O-N 3.46Å; N888-F891 PolarHBondContact O-N 3.14Å
889I35.4Very low35.9Very low63 Ų63111.8 Ų111.832%0.32352%0.516SS..Hα-helixtrans-70.4-35.8176.9-71.7168.9000112F885 I886 F891 I892 D893F885-I889 HydrophobicContact CD1-CD1 3.7Å; F885-I889 HydrophobicContact CE1-CD1 3.33Å; F885-I889 HydrophobicContact CE1-CG1 4.47Å; F885-I889 HydrophobicContact CE2-CD1 4.49Å; F885-I889 HydrophobicContact CG-CD1 4.43Å; F885-I889 HydrophobicContact CZ-CD1 3.78Å; F885-I889 WeakPolarHBondContact O-CG1 3.45Å; F885-I889 PolarHBondContact O-N 3.45Å; I886-I889 PolarHBondContact O-N 2.94Å; I889-F891 PolarHBondContact O-N 3.4Å; I889-F891 VanDerWaalsContact O-N 3.15Å; I889-I892 PolarHBondContact O-N 3.07Å; I889-D893 PolarHBondContact O-N 3.37Å
890K32.9Very low35.7Very low130 Ų130113.4 Ų113.457%0.56552%0.521SS*.THydrogen-bonded Turntrans-64.6-16.6177.7-84.5-172.7175.2-177.40114.1I886I886-K890 PolarHBondContact O-N 3.05Å
891F35.7Very low35.3Very low120 Ų120114.7 Ų114.753%0.52652%0.522SS..THydrogen-bonded Turntrans-79.5-18.4170.6-89-84.5000113.3E887 N888 I889E887-F891 WeakPolarHBondContact O-CD2 3.44Å; N888-F891 PolarHBondContact O-N 3.14Å; I889-F891 PolarHBondContact O-N 3.4Å; I889-F891 VanDerWaalsContact O-N 3.15Å
892I34.1Very low35.1Very low114 Ų114116.2 Ų116.259%0.58552%0.523SS*.THydrogen-bonded Turntrans-89.5-28.3-178.2-59173.8000111.6I889 Y894I889-I892 PolarHBondContact O-N 3.07Å; I892-Y894 PolarHBondContact O-N 2.93Å
893D28.1Very low34.9Very low139 Ų139117 Ų11774%0.74353%0.533SS*.SBendtrans-91.616.4-177.1-93.9-16.7000115.3I889I889-D893 PolarHBondContact O-N 3.37Å
894Y27.2Very low34.4Very low212 Ų212120.3 Ų120.383%0.83154%0.544SS*.  trans-118.453.4167.5-95.5-80.7000111.2I892I892-Y894 PolarHBondContact O-N 2.93Å
895R28.3Very low34.1Very low267 Ų267127.1 Ų127.1100%1.00857%0.572SS**  trans-170.60144.4-110.5169.8-171.2-169.85.3114.8N220N220-R895 PolarHBondContact OD1-NH1 3.04Å

Retrieved 895 of 895 residues in 742.8 ms (Link to these results)

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