A0A087XLW3_POEFO Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB , UniProt , Accession A0A087XLW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M46.9Very low81.9Confident213 Ų21378.5 Ų78.5100%1.04939%0.394SS*.  0-460-75.8-179-74.500112.6G3 M4M1-G3 PolarHBondContact O-N 3.4Å; M1-M4 PolarHBondContact O-N 3.11Å
2S62.1Low83Confident81 Ų8178.8 Ų78.857%0.56640%0.403SS*.Hα-helixtrans-57-44.3-178.950.80000115.3M4 Y5 Q6S2-M4 PolarHBondContact O-N 3.44Å; S2-Y5 PolarHBondContact O-N 2.96Å; S2-Q6 WeakPolarHBondContact O-CG 3.08Å; S2-Q6 PolarHBondContact O-N 3.46Å
3G75.8Confident83.9Confident20 Ų2076.2 Ų76.221%0.20639%0.39CS..Hα-helixtrans-68.1-29.3-176.900000115.3M1 Q6 E7M1-G3 PolarHBondContact O-N 3.4Å; G3-Q6 PolarHBondContact O-N 2.8Å; G3-E7 WeakPolarHBondContact O-CG 3.19Å; G3-E7 PolarHBondContact O-N 2.84Å; G3-E7 VanDerWaalsContact O-N 3.15Å
4M81.6Confident84.7Confident108 Ų10870.7 Ų70.753%0.53236%0.362SS..Hα-helixtrans-72.7-39.4178.9-171.517173.900111.4M1 S2 Q6 E7 I8M1-M4 PolarHBondContact O-N 3.11Å; S2-M4 PolarHBondContact O-N 3.44Å; M4-Q6 VanDerWaalsContact C-N 3.34Å; M4-E7 PolarHBondContact O-N 3.45Å; M4-I8 HydrophobicContact CG-CD1 4.13Å; M4-I8 VanDerWaalsContact O-CG1 3.31Å; M4-I8 WeakPolarHBondContact O-CG1 3.42Å; M4-I8 PolarHBondContact O-N 2.86Å; M4-I8 VanDerWaalsContact O-N 3.13Å
5Y86.1Confident85.4Confident158 Ų15867.9 Ų67.962%0.6235%0.349SS*.Hα-helixtrans-62.6-41.3173.9174.4-94.9000111.7S2 I8 M9S2-Y5 PolarHBondContact O-N 2.96Å; Y5-I8 PolarHBondContact O-N 3.37Å; Y5-M9 HydrophobicContact CE1-SD 4.11Å; Y5-M9 WeakPolarHBondContact O-CB 3.45Å; Y5-M9 PolarHBondContact O-N 3.23Å
6Q88.7Confident86Confident81 Ų8166.2 Ų66.238%0.37935%0.346SS..Hα-helixtrans-63.9-41.7177.8-71.1174.7-46.700112.6S2 G3 M4 A10 V179S2-Q6 WeakPolarHBondContact O-CG 3.08Å; S2-Q6 PolarHBondContact O-N 3.46Å; G3-Q6 PolarHBondContact O-N 2.8Å; M4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-A10 VanDerWaalsContact O-CB 3.24Å; Q6-A10 WeakPolarHBondContact O-CB 3.31Å; Q6-A10 PolarHBondContact O-N 3.4Å; Q6-V179 HydrophobicContact CB-CG1 4.3Å
7E89.2Confident86.6Confident9 Ų962.3 Ų62.34%0.04233%0.325CS..Hα-helixtrans-62.9-43.3175.3-74.4175.1-160.100112.1G3 M4 A10 F11 M101 K102G3-E7 WeakPolarHBondContact O-CG 3.19Å; G3-E7 PolarHBondContact O-N 2.84Å; G3-E7 VanDerWaalsContact O-N 3.15Å; M4-E7 PolarHBondContact O-N 3.45Å; E7-A10 PolarHBondContact O-N 3.25Å; E7-F11 WeakPolarHBondContact O-CB 3.33Å; E7-F11 PolarHBondContact O-N 3.33Å; E7-M101 HydrophobicContact CB-CG 4.48Å; E7-K102 IonicContact OE1-NZ 2.65Å; E7-K102 PolarHBondContact OE1-NZ 3.29Å; E7-K102 PolarHBondContact OE2-N 3.34Å
8I90.9Very high87.1Confident81 Ų8161.7 Ų61.742%0.41532%0.318SS..Hα-helixtrans-66.7-45.7178.6-65.7165.1000110.7M4 Y5 A10 F11 V12M4-I8 HydrophobicContact CG-CD1 4.13Å; M4-I8 VanDerWaalsContact O-CG1 3.31Å; M4-I8 WeakPolarHBondContact O-CG1 3.42Å; M4-I8 PolarHBondContact O-N 2.86Å; M4-I8 VanDerWaalsContact O-N 3.13Å; Y5-I8 PolarHBondContact O-N 3.37Å; I8-A10 VanDerWaalsContact C-N 3.32Å; I8-A10 PolarHBondContact O-N 3.44Å; I8-F11 WeakPolarHBondContact O-CB 3.47Å; I8-F11 PolarHBondContact O-N 3.5Å; I8-V12 WeakPolarHBondContact O-CG2 3.47Å; I8-V12 PolarHBondContact O-N 3.38Å
9M92.4Very high87.6Confident68 Ų6863.4 Ų63.434%0.33533%0.327SS..Hα-helixtrans-60.9-43.5177.1-172.8-17276.700110.9Y5 F11 V12 L13 V179Y5-M9 HydrophobicContact CE1-SD 4.11Å; Y5-M9 WeakPolarHBondContact O-CB 3.45Å; Y5-M9 PolarHBondContact O-N 3.23Å; M9-F11 VanDerWaalsContact C-N 3.35Å; M9-F11 PolarHBondContact O-N 3.44Å; M9-V12 PolarHBondContact O-N 2.89Å; M9-L13 HydrophobicContact CE-CD1 4.29Å; M9-L13 HydrophobicContact CG-CD1 4.11Å; M9-L13 WeakPolarHBondContact O-CB 3.41Å; M9-L13 VanDerWaalsContact O-CG 3.26Å; M9-L13 WeakPolarHBondContact O-CG 3.11Å; M9-L13 PolarHBondContact O-N 2.9Å; M9-V179 HydrophobicContact CE-CG1 4.06Å; M9-V179 HydrophobicContact CE-CG2 4.18Å
10A93.3Very high88Confident0 Ų063.1 Ų63.10%033%0.325CS..Hα-helixtrans-59-46.2175.400000111.6Q6 E7 I8 V12 L13 T14 V179 F180Q6-A10 VanDerWaalsContact O-CB 3.24Å; Q6-A10 WeakPolarHBondContact O-CB 3.31Å; Q6-A10 PolarHBondContact O-N 3.4Å; E7-A10 PolarHBondContact O-N 3.25Å; I8-A10 VanDerWaalsContact C-N 3.32Å; I8-A10 PolarHBondContact O-N 3.44Å; A10-V12 PolarHBondContact O-N 3.44Å; A10-L13 PolarHBondContact O-N 3.42Å; A10-T14 WeakPolarHBondContact O-CG2 3.38Å; A10-T14 PolarHBondContact O-N 3.4Å; A10-T14 PolarHBondContact O-OG1 3.15Å; A10-V179 HydrophobicContact CB-CB 3.91Å; A10-V179 HydrophobicContact CB-CG1 3.81Å; A10-F180 HydrophobicContact CB-CB 4.47Å; A10-F180 HydrophobicContact CB-CD1 3.86Å; A10-F180 HydrophobicContact CB-CD2 3.63Å; A10-F180 HydrophobicContact CB-CE1 3.94Å; A10-F180 HydrophobicContact CB-CE2 3.72Å; A10-F180 HydrophobicContact CB-CG 3.7Å; A10-F180 HydrophobicContact CB-CZ 3.89Å
11F93.8Very high88.3Confident44 Ų4460.2 Ų60.219%0.19331%0.31CS..Hα-helixtrans-59.7-44.7178-176.5-108.9000112.5E7 I8 M9 T14 T15 A97 L98 M101 F180E7-F11 WeakPolarHBondContact O-CB 3.33Å; E7-F11 PolarHBondContact O-N 3.33Å; I8-F11 WeakPolarHBondContact O-CB 3.47Å; I8-F11 PolarHBondContact O-N 3.5Å; M9-F11 VanDerWaalsContact C-N 3.35Å; M9-F11 PolarHBondContact O-N 3.44Å; F11-T14 PolarHBondContact O-OG1 3.5Å; F11-T15 HydrophobicContact CD1-CG2 4.41Å; F11-T15 HydrophobicContact CD2-CG2 4.02Å; F11-T15 HydrophobicContact CE1-CG2 4.01Å; F11-T15 HydrophobicContact CE2-CG2 3.57Å; F11-T15 HydrophobicContact CG-CG2 4.42Å; F11-T15 HydrophobicContact CZ-CG2 3.56Å; F11-T15 WeakPolarHBondContact O-CB 3.49Å; F11-T15 VanDerWaalsContact O-CG2 3.29Å; F11-T15 WeakPolarHBondContact O-CG2 3.49Å; F11-T15 PolarHBondContact O-N 2.65Å; F11-T15 PolarHBondContact O-OG1 3.47Å; F11-A97 HydrophobicContact CD2-CB 4.05Å; F11-A97 HydrophobicContact CE2-CB 4.34Å; F11-L98 HydrophobicContact CE1-CD2 4Å; F11-L98 HydrophobicContact CE2-CD2 3.68Å; F11-L98 HydrophobicContact CE2-CG 3.7Å; F11-L98 HydrophobicContact CZ-CD1 4.36Å; F11-L98 HydrophobicContact CZ-CD2 3.33Å; F11-L98 HydrophobicContact CZ-CG 3.73Å; F11-M101 HydrophobicContact CB-CE 4.4Å; F11-M101 HydrophobicContact CB-SD 3.89Å; F11-M101 HydrophobicContact CD1-CE 4.24Å; F11-M101 HydrophobicContact CD2-CE 3.92Å; F11-M101 HydrophobicContact CD2-SD 4.38Å; F11-M101 HydrophobicContact CE2-CE 4.27Å; F11-M101 HydrophobicContact CG-CE 3.9Å; F11-M101 HydrophobicContact CG-SD 4.06Å; F11-F180 VanDerWaalsContact CA-CZ 3.48Å; F11-F180 HydrophobicContact CB-CE2 4.44Å; F11-F180 HydrophobicContact CB-CZ 3.73Å; F11-F180 HydrophobicContact CD2-CZ 4.28Å; F11-F180 VanDerWaalsContact N-CZ 3.34Å
12V95.2Very high90.6Very high82 Ų8251.6 Ų51.650%0.49727%0.271SS..Hα-helixtrans-64.8-41177.6173.90000111I8 M9 A10 T15 S16I8-V12 WeakPolarHBondContact O-CG2 3.47Å; I8-V12 PolarHBondContact O-N 3.38Å; M9-V12 PolarHBondContact O-N 2.89Å; A10-V12 PolarHBondContact O-N 3.44Å; V12-T15 PolarHBondContact O-OG1 3.13Å; V12-S16 VanDerWaalsContact O-CB 3.24Å; V12-S16 WeakPolarHBondContact O-CB 3.4Å; V12-S16 PolarHBondContact O-N 3.48Å; V12-S16 PolarHBondContact O-OG 3.44Å
13L95.3Very high92.1Very high45 Ų4550.5 Ų50.524%0.23626%0.263CS..Hα-helixtrans-65.5-45.7177.7-71.1170.7000112.3M9 A10 S16 G17 L172M9-L13 HydrophobicContact CE-CD1 4.29Å; M9-L13 HydrophobicContact CG-CD1 4.11Å; M9-L13 WeakPolarHBondContact O-CB 3.41Å; M9-L13 VanDerWaalsContact O-CG 3.26Å; M9-L13 WeakPolarHBondContact O-CG 3.11Å; M9-L13 PolarHBondContact O-N 2.9Å; A10-L13 PolarHBondContact O-N 3.42Å; L13-S16 PolarHBondContact O-OG 2.87Å; L13-G17 PolarHBondContact O-N 3.34Å; L13-L172 HydrophobicContact CD2-CD2 3.88Å
14T95.3Very high93Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-69.4-40.2179.557.10000112.3A10 F11 G17 W18 F124 F180A10-T14 WeakPolarHBondContact O-CG2 3.38Å; A10-T14 PolarHBondContact O-N 3.4Å; A10-T14 PolarHBondContact O-OG1 3.15Å; F11-T14 PolarHBondContact O-OG1 3.5Å; T14-G17 PolarHBondContact O-N 2.99Å; T14-W18 WeakPolarHBondContact O-CB 3.29Å; T14-W18 PolarHBondContact O-N 3.26Å; T14-F124 HydrophobicContact CG2-CB 4.13Å; T14-F124 HydrophobicContact CG2-CD1 4.34Å; T14-F124 HydrophobicContact CG2-CD2 3.81Å; T14-F124 HydrophobicContact CG2-CE2 4.29Å; T14-F124 HydrophobicContact CG2-CG 3.85Å; T14-F180 HydrophobicContact CG2-CD2 3.93Å; T14-F180 HydrophobicContact CG2-CE2 3.89Å
15T94.3Very high93.5Very high28 Ų2845 Ų4517%0.17223%0.232CC..Hα-helixtrans-70.1-40.817951.90000112.2F11 V12 W18 I19F11-T15 HydrophobicContact CD1-CG2 4.41Å; F11-T15 HydrophobicContact CD2-CG2 4.02Å; F11-T15 HydrophobicContact CE1-CG2 4.01Å; F11-T15 HydrophobicContact CE2-CG2 3.57Å; F11-T15 HydrophobicContact CG-CG2 4.42Å; F11-T15 HydrophobicContact CZ-CG2 3.56Å; F11-T15 WeakPolarHBondContact O-CB 3.49Å; F11-T15 VanDerWaalsContact O-CG2 3.29Å; F11-T15 WeakPolarHBondContact O-CG2 3.49Å; F11-T15 PolarHBondContact O-N 2.65Å; F11-T15 PolarHBondContact O-OG1 3.47Å; V12-T15 PolarHBondContact O-OG1 3.13Å; T15-W18 PolarHBondContact O-N 3.26Å; T15-I19 WeakPolarHBondContact O-CD1 3.29Å; T15-I19 VanDerWaalsContact O-CG1 3.22Å; T15-I19 WeakPolarHBondContact O-CG1 3.27Å; T15-I19 PolarHBondContact O-N 3.3Å
16S96Very high93.7Very high41 Ų4141.7 Ų41.729%0.28723%0.232SC..Hα-helixtrans-64-42.6173.157.90000112V12 L13 W18 I19 L20V12-S16 VanDerWaalsContact O-CB 3.24Å; V12-S16 WeakPolarHBondContact O-CB 3.4Å; V12-S16 PolarHBondContact O-N 3.48Å; V12-S16 PolarHBondContact O-OG 3.44Å; L13-S16 PolarHBondContact O-OG 2.87Å; S16-W18 PolarHBondContact O-N 3.12Å; S16-I19 PolarHBondContact O-N 3.33Å; S16-L20 WeakPolarHBondContact O-CG 3.07Å; S16-L20 PolarHBondContact O-N 3.26Å
17G96.1Very high93.8Very high0 Ų040.7 Ų40.70%023%0.228CC..Hα-helixtrans-56.9-47.9172.400000112.2L13 T14 I19 L20 E21L13-G17 PolarHBondContact O-N 3.34Å; T14-G17 PolarHBondContact O-N 2.99Å; G17-I19 VanDerWaalsContact C-N 3.34Å; G17-I19 PolarHBondContact O-N 3.02Å; G17-L20 WeakPolarHBondContact O-CB 3.31Å; G17-L20 PolarHBondContact O-N 3.45Å; G17-E21 WeakPolarHBondContact O-CG 3.47Å; G17-E21 PolarHBondContact O-N 3.3Å
18W95.9Very high93.8Very high51 Ų5142.6 Ų42.619%0.19324%0.238CC..Hα-helixtrans-62.9-36177.7177.772.2000113.6T14 T15 S16 E21 S22 I87 L91 F124 C173T14-W18 WeakPolarHBondContact O-CB 3.29Å; T14-W18 PolarHBondContact O-N 3.26Å; T15-W18 PolarHBondContact O-N 3.26Å; S16-W18 PolarHBondContact O-N 3.12Å; W18-E21 PolarHBondContact O-N 3.33Å; W18-S22 WeakPolarHBondContact O-CB 3.45Å; W18-S22 PolarHBondContact O-N 3.21Å; W18-S22 PolarHBondContact O-OG 2.9Å; W18-I87 HydrophobicContact CZ2-CG2 4.5Å; W18-I87 PolarHBondContact NE1-O 2.93Å; W18-L91 HydrophobicContact CH2-CD1 3.8Å; W18-L91 HydrophobicContact CZ2-CB 3.91Å; W18-L91 HydrophobicContact CZ2-CD1 3.81Å; W18-L91 HydrophobicContact CZ2-CG 4.46Å; W18-F124 HydrophobicContact CB-CE1 4.41Å; W18-C173 PolarHBondContact N-SG 3.46Å
19I96Very high93.8Very high94 Ų9442.8 Ų42.848%0.48224%0.237SC..Hα-helixtrans-67.2-41.6174.3-68.5162000111T15 S16 G17 E21 S22 S23T15-I19 WeakPolarHBondContact O-CD1 3.29Å; T15-I19 VanDerWaalsContact O-CG1 3.22Å; T15-I19 WeakPolarHBondContact O-CG1 3.27Å; T15-I19 PolarHBondContact O-N 3.3Å; S16-I19 PolarHBondContact O-N 3.33Å; G17-I19 VanDerWaalsContact C-N 3.34Å; G17-I19 PolarHBondContact O-N 3.02Å; I19-E21 VanDerWaalsContact C-N 3.34Å; I19-S22 PolarHBondContact O-N 2.94Å; I19-S23 WeakPolarHBondContact O-CB 3.5Å; I19-S23 PolarHBondContact O-N 2.68Å; I19-S23 PolarHBondContact O-OG 3.04Å
20L95.5Very high93.8Very high58 Ų5839.6 Ų39.630%0.30422%0.221SC..Hα-helixtrans-61.8-43.3175.2-70.1171.3000111S16 G17 S22 S23 T24 I165 L172S16-L20 WeakPolarHBondContact O-CG 3.07Å; S16-L20 PolarHBondContact O-N 3.26Å; G17-L20 WeakPolarHBondContact O-CB 3.31Å; G17-L20 PolarHBondContact O-N 3.45Å; L20-S22 PolarHBondContact O-N 3.34Å; L20-S23 WeakPolarHBondContact O-CB 3.33Å; L20-S23 PolarHBondContact O-N 3.35Å; L20-S23 VanDerWaalsContact O-N 3.17Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 PolarHBondContact O-OG1 2.98Å; L20-I165 HydrophobicContact CB-CG2 4.29Å; L20-I165 HydrophobicContact CD2-CG2 4.12Å; L20-L172 HydrophobicContact CD1-CD1 3.54Å
21E94.9Very high93.6Very high2 Ų240.4 Ų40.41%0.00922%0.224CC..Hα-helixtrans-60.7-44.4175.5-68.4-65.4-177.200113G17 W18 I19 S23 T24 V25 M83 V128 S132 G170G17-E21 WeakPolarHBondContact O-CG 3.47Å; G17-E21 PolarHBondContact O-N 3.3Å; W18-E21 PolarHBondContact O-N 3.33Å; I19-E21 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 2.63Å; E21-T24 WeakPolarHBondContact O-CB 3.26Å; E21-T24 PolarHBondContact O-N 3.35Å; E21-V25 PolarHBondContact O-N 3.06Å; E21-M83 WeakPolarHBondContact OE2-CE 3.45Å; E21-V128 HydrophobicContact CG-CG1 4.46Å; E21-S132 WeakPolarHBondContact OE1-CB 3.23Å; E21-S132 PolarHBondContact OE1-OG 3Å; E21-S132 WeakPolarHBondContact OE2-CB 3.39Å; E21-S132 PolarHBondContact OE2-OG 3.28Å; E21-G170 VanDerWaalsContact OE1-CA 3.23Å; E21-G170 WeakPolarHBondContact OE1-CA 3.15Å; E21-G170 PolarHBondContact OE1-N 2.82Å
22S94.4Very high93.5Very high32 Ų3240.2 Ų40.222%0.22423%0.227CC..Hα-helixtrans-60.9-37.8176-58.40000111.7W18 I19 L20 S26W18-S22 WeakPolarHBondContact O-CB 3.45Å; W18-S22 PolarHBondContact O-N 3.21Å; W18-S22 PolarHBondContact O-OG 2.9Å; I19-S22 PolarHBondContact O-N 2.94Å; L20-S22 PolarHBondContact O-N 3.34Å; S22-S26 PolarHBondContact O-OG 2.92Å
23S94.6Very high93.1Very high58 Ų5836.5 Ų36.541%0.40620%0.204SC..Hα-helixtrans-69.4-41.1176.4-550000111.5I19 L20 E21 V25 S26 M27I19-S23 WeakPolarHBondContact O-CB 3.5Å; I19-S23 PolarHBondContact O-N 2.68Å; I19-S23 PolarHBondContact O-OG 3.04Å; L20-S23 WeakPolarHBondContact O-CB 3.33Å; L20-S23 PolarHBondContact O-N 3.35Å; L20-S23 VanDerWaalsContact O-N 3.17Å; E21-S23 PolarHBondContact O-N 2.63Å; S23-V25 VanDerWaalsContact C-N 3.33Å; S23-V25 PolarHBondContact O-N 2.77Å; S23-S26 CarbonylContact O-C 3.57Å; S23-S26 PolarHBondContact O-N 2.69Å; S23-S26 VanDerWaalsContact O-N 3.08Å; S23-M27 PolarHBondContact O-N 3.09Å
24T93.8Very high92.3Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-56.9-43.1177.5-62.70000112.3L20 E21 S26 M27 W30 M83 A162 I165 G166L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 PolarHBondContact O-OG1 2.98Å; E21-T24 WeakPolarHBondContact O-CB 3.26Å; E21-T24 PolarHBondContact O-N 3.35Å; T24-S26 VanDerWaalsContact C-N 3.25Å; T24-S26 PolarHBondContact O-N 3.18Å; T24-M27 WeakPolarHBondContact O-CB 3.36Å; T24-M27 PolarHBondContact O-N 3.5Å; T24-W30 HydrophobicContact CG2-CH2 4.23Å; T24-W30 HydrophobicContact CG2-CZ2 3.67Å; T24-W30 PolarHBondContact O-NE1 3.25Å; T24-M83 HydrophobicContact CG2-CE 4.05Å; T24-A162 HydrophobicContact CG2-CB 4.31Å; T24-A162 WeakPolarHBondContact CG2-O 3.48Å; T24-I165 WeakPolarHBondContact OG1-CG2 3.38Å; T24-G166 WeakPolarHBondContact OG1-CA 3.24Å; T24-G166 PolarHBondContact OG1-N 3.02Å; T24-G166 VanDerWaalsContact OG1-N 3.15Å
25V91.7Very high90.9Very high12 Ų1239.2 Ų39.27%0.07322%0.22CC..Hα-helixtrans-63.2-33.4177.7175.30000112.7E21 S23 W50 M83 I87E21-V25 PolarHBondContact O-N 3.06Å; S23-V25 VanDerWaalsContact C-N 3.33Å; S23-V25 PolarHBondContact O-N 2.77Å; V25-W50 HydrophobicContact CG1-CZ2 3.73Å; V25-W50 PolarHBondContact O-NE1 2.99Å; V25-M83 HydrophobicContact CG2-CB 3.61Å; V25-M83 HydrophobicContact CG2-CE 3.4Å; V25-M83 HydrophobicContact CG2-CG 4.16Å; V25-I87 HydrophobicContact CB-CD1 3.97Å; V25-I87 HydrophobicContact CG1-CD1 4.4Å; V25-I87 HydrophobicContact CG2-CD1 3.51Å
26S90.4Very high88.9Confident90 Ų9045.2 Ų45.263%0.62925%0.251SS*.Hα-helixtrans-85.8-14.8179.9-53.60000112.6S22 S23 T24S22-S26 PolarHBondContact O-OG 2.92Å; S23-S26 CarbonylContact O-C 3.57Å; S23-S26 PolarHBondContact O-N 2.69Å; S23-S26 VanDerWaalsContact O-N 3.08Å; T24-S26 VanDerWaalsContact C-N 3.25Å; T24-S26 PolarHBondContact O-N 3.18Å
27M91.4Very high86.8Confident59 Ų5947 Ų4729%0.29128%0.276SS..  trans-70.4139.2-174.9-161.7118.7169.200111.5S23 T24 W30 N48 A161 A162 I165S23-M27 PolarHBondContact O-N 3.09Å; T24-M27 WeakPolarHBondContact O-CB 3.36Å; T24-M27 PolarHBondContact O-N 3.5Å; M27-W30 VanDerWaalsContact O-CD1 3.3Å; M27-N48 WeakPolarHBondContact O-CB 3.34Å; M27-A161 HydrophobicContact CE-CB 4.19Å; M27-A162 HydrophobicContact CB-CB 3.81Å; M27-A162 HydrophobicContact CG-CB 3.94Å; M27-I165 HydrophobicContact CE-CD1 3.56Å; M27-I165 HydrophobicContact SD-CD1 3.59Å; M27-I165 VanDerWaalsContact SD-CD1 3.59Å
28D88.2Confident84.5Confident49 Ų4950 Ų5026%0.26230%0.297SS..SBendtrans-79.7-18.6-172.6-83.7-17.2000114.2W46 A47 N48 K51D28-W46 HydrophobicContact CB-CE3 4.04Å; D28-W46 HydrophobicContact CB-CH2 3.94Å; D28-W46 HydrophobicContact CB-CZ3 3.42Å; D28-W46 VanDerWaalsContact CB-CZ3 3.42Å; D28-A47 CarbonylContact O-C 3.22Å; D28-N48 WeakPolarHBondContact O-CB 3.35Å; D28-N48 PolarHBondContact O-N 3.46Å; D28-N48 PolarHBondContact OD1-ND2 3.44Å; D28-K51 VanDerWaalsContact CG-NZ 3.3Å; D28-K51 WeakPolarHBondContact OD1-CE 3.27Å; D28-K51 IonicContact OD1-NZ 2.82Å; D28-K51 PolarHBondContact OD1-NZ 3Å; D28-K51 IonicContact OD2-NZ 3.09Å; D28-K51 PolarHBondContact OD2-NZ 3.39Å; D28-K51 VanDerWaalsContact OD2-NZ 3.09Å
29F90.4Very high82.4Confident86 Ų8654.9 Ų54.938%0.37733%0.332SS..  trans-112.474.7-170.4-54.1-72.8000112.6V32 W46 G160 A161 A162F29-V32 HydrophobicContact CB-CG2 4.36Å; F29-V32 HydrophobicContact CD1-CG2 4.16Å; F29-W46 HydrophobicContact CD1-CB 3.99Å; F29-W46 HydrophobicContact CD1-CD2 4.31Å; F29-W46 HydrophobicContact CD1-CE3 4.49Å; F29-W46 HydrophobicContact CD1-CG 4.15Å; F29-W46 HydrophobicContact CE1-CB 4.23Å; F29-W46 AromaticContact CE1-CD2 3.95Å; F29-W46 HydrophobicContact CE1-CD2 3.95Å; F29-W46 HydrophobicContact CE1-CE3 4.39Å; F29-W46 AromaticContact CE1-CG 3.92Å; F29-W46 HydrophobicContact CE1-CG 3.92Å; F29-G160 CarbonylContact O-C 3.57Å; F29-G160 VanDerWaalsContact O-CA 3.23Å; F29-G160 WeakPolarHBondContact O-CA 3.36Å; F29-A161 PolarHBondContact O-N 2.9Å; F29-A162 WeakPolarHBondContact O-CB 3.33Å; F29-A162 PolarHBondContact O-N 2.97Å
30W92.8Very high80.5Confident0 Ų057.6 Ų57.60%035%0.346CS..SBendtrans-85.8-35.6170.5-77.359.7000112.4T24 M27 A47 N48 L49 M83 Y139 G160 A162 L163T24-W30 HydrophobicContact CG2-CH2 4.23Å; T24-W30 HydrophobicContact CG2-CZ2 3.67Å; T24-W30 PolarHBondContact O-NE1 3.25Å; M27-W30 VanDerWaalsContact O-CD1 3.3Å; W30-A47 WeakPolarHBondContact CB-O 3.45Å; W30-A47 PolarHBondContact N-O 3.48Å; W30-N48 HydrophobicContact CG-CB 4.47Å; W30-L49 HydrophobicContact CD2-CD1 3.72Å; W30-L49 HydrophobicContact CE3-CD1 3.49Å; W30-L49 VanDerWaalsContact CE3-CD1 3.49Å; W30-L49 HydrophobicContact CH2-CD1 3.75Å; W30-L49 HydrophobicContact CH2-CD2 4.21Å; W30-L49 HydrophobicContact CZ2-CD1 3.94Å; W30-L49 HydrophobicContact CZ2-CD2 4.24Å; W30-L49 HydrophobicContact CZ3-CD1 3.51Å; W30-M83 HydrophobicContact CH2-CE 4.1Å; W30-M83 HydrophobicContact CH2-CG 4.05Å; W30-M83 HydrophobicContact CH2-SD 4.2Å; W30-M83 HydrophobicContact CZ2-CE 4.25Å; W30-Y139 HydrophobicContact CB-CE1 3.76Å; W30-Y139 AromaticContact CE3-CD1 3.95Å; W30-Y139 HydrophobicContact CE3-CD1 3.95Å; W30-Y139 HydrophobicContact CE3-CD2 4.07Å; W30-Y139 HydrophobicContact CE3-CE1 4.15Å; W30-Y139 HydrophobicContact CE3-CE2 4.3Å; W30-Y139 AromaticContact CE3-CG 3.9Å; W30-Y139 HydrophobicContact CE3-CG 3.9Å; W30-Y139 HydrophobicContact CZ3-CD2 4.43Å; W30-Y139 HydrophobicContact CZ3-CG 4.28Å; W30-G160 WeakPolarHBondContact O-CA 3.18Å; W30-G160 PolarHBondContact O-N 3Å; W30-A162 VanDerWaalsContact CD1-CB 3.44Å; W30-A162 HydrophobicContact CD2-CB 4.28Å; W30-A162 HydrophobicContact CG-CB 3.88Å; W30-L163 HydrophobicContact CD2-CD2 4.49Å; W30-L163 HydrophobicContact CE3-CD2 3.64Å; W30-L163 HydrophobicContact CZ3-CD2 3.9Å; W30-L163 WeakPolarHBondContact O-CD1 3.47Å
31K90.2Very high78.7Confident18 Ų1857 Ų578%0.07835%0.345CS..EExtended strand (participates in β ladder)trans-141.1147.116963.5179.8-177.2178.80110.4W46 A47 Y139 I143 Y157 E158K31-W46 WeakPolarHBondContact O-CA 3.24Å; K31-A47 HydrophobicContact CD-CB 4.38Å; K31-A47 HydrophobicContact CG-CB 3.84Å; K31-A47 PolarHBondContact N-O 3.26Å; K31-A47 VanDerWaalsContact N-O 3.11Å; K31-A47 PolarHBondContact O-N 3.49Å; K31-Y139 HydrophobicContact CB-CE1 4.21Å; K31-Y139 HydrophobicContact CD-CE1 4.45Å; K31-Y139 HydrophobicContact CG-CE1 4.42Å; K31-I143 HydrophobicContact CB-CD1 3.8Å; K31-I143 HydrophobicContact CB-CG1 4.4Å; K31-Y157 HydrophobicContact CB-CD1 4.24Å; K31-Y157 HydrophobicContact CD-CD1 3.94Å; K31-Y157 HydrophobicContact CD-CE1 4.35Å; K31-Y157 HydrophobicContact CD-CG 4.03Å; K31-Y157 HydrophobicContact CG-CD1 3.98Å; K31-Y157 HydrophobicContact CG-CE1 4.48Å; K31-Y157 HydrophobicContact CG-CG 4.46Å; K31-E158 WeakPolarHBondContact CA-O 3.34Å
32V90.3Very high77.3Confident40 Ų4061.3 Ų61.324%0.24237%0.371CS..EExtended strand (participates in β ladder)trans-132.1139.2179.6-1770000108.2F29 T44 F45 W46 Y157 E158F29-V32 HydrophobicContact CB-CG2 4.36Å; F29-V32 HydrophobicContact CD1-CG2 4.16Å; V32-T44 HydrophobicContact CG1-CG2 4.21Å; V32-F45 CarbonylContact C-O 3.5Å; V32-F45 WeakPolarHBondContact CA-O 3.43Å; V32-W46 HydrophobicContact CG2-CB 4.34Å; V32-Y157 CarbonylContact O-C 3.45Å; V32-Y157 WeakPolarHBondContact O-CA 3.43Å; V32-E158 PolarHBondContact N-O 2.95Å; V32-E158 VanDerWaalsContact N-O 3.17Å; V32-E158 PolarHBondContact O-N 2.95Å
33S87.3Confident76.4Confident3 Ų360.6 Ų60.62%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-67.1137.6179.256.80000111.6N35 F45 K156S33-N35 PolarHBondContact O-OD1 3.16Å; S33-F45 PolarHBondContact N-O 3.04Å; S33-F45 PolarHBondContact OG-N 3.4Å; S33-F45 PolarHBondContact OG-O 3.15Å; S33-K156 WeakPolarHBondContact CA-O 3.22Å
34S78.3Confident76Confident13 Ų1360.5 Ų60.59%0.09136%0.363CS..  trans-76.5134.8169.9-165.40000110D36 K156 E158S34-D36 VanDerWaalsContact C-N 3.33Å; S34-K156 PolarHBondContact N-O 2.97Å; S34-E158 WeakPolarHBondContact CB-OE1 3.39Å; S34-E158 PolarHBondContact OG-OE1 3.16Å
35N65.7Low75.7Confident89 Ų8963.2 Ų63.248%0.47638%0.375SS..  trans-90.76.4-179.4-73.183.2000113.2S33 G37S33-N35 PolarHBondContact O-OD1 3.16Å; N35-G37 PolarHBondContact O-N 3.38Å; N35-G37 VanDerWaalsContact O-N 3.08Å
36D52.9Low75.6Confident155 Ų15563.8 Ų63.883%0.82938%0.376SS*.THydrogen-bonded Turntrans-77.494.6-175.9-85.8-19.5000112.5S34S34-D36 VanDerWaalsContact C-N 3.33Å
37G51.8Low75.5Confident79 Ų7959.5 Ų59.581%0.81435%0.346SS*.THydrogen-bonded Turntrans135.1-4.9155.700000117.7N35N35-G37 PolarHBondContact O-N 3.38Å; N35-G37 VanDerWaalsContact O-N 3.08Å
38S48.3Very low75.4Confident61 Ų6156.9 Ų56.943%0.42733%0.333SS..  trans-120.3105.8179.9148.80000110.4I40 T41S38-I40 PolarHBondContact O-N 3.36Å; S38-T41 VanDerWaalsContact CB-OG1 3.3Å; S38-T41 WeakPolarHBondContact CB-OG1 3.41Å; S38-T41 PolarHBondContact O-N 2.95Å; S38-T41 PolarHBondContact O-OG1 3.11Å; S38-T41 PolarHBondContact OG-N 2.64Å; S38-T41 PolarHBondContact OG-OG1 3.33Å
39V51.4Low75.4Confident155 Ų15554.6 Ų54.694%0.93932%0.321SS*.THydrogen-bonded Turntrans-65.8-2177.5-176.70000112
40I55.8Low75.3Confident151 Ų15154.9 Ų54.977%0.77432%0.32SS*.THydrogen-bonded Turntrans-116.2-2.5-174.1-51.5179.3000112.5S38 T42S38-I40 PolarHBondContact O-N 3.36Å; I40-T42 PolarHBondContact O-N 3.44Å; I40-T42 VanDerWaalsContact O-N 3.09Å
41T57Low75Confident45 Ų4557.2 Ų57.228%0.27633%0.33SS..  trans-82.792.8179.319.20000111.7S38 S43S38-T41 VanDerWaalsContact CB-OG1 3.3Å; S38-T41 WeakPolarHBondContact CB-OG1 3.41Å; S38-T41 PolarHBondContact O-N 2.95Å; S38-T41 PolarHBondContact O-OG1 3.11Å; S38-T41 PolarHBondContact OG-N 2.64Å; S38-T41 PolarHBondContact OG-OG1 3.33Å; T41-S43 PolarHBondContact O-N 3.43Å
42T66.5Low75Confident92 Ų9258.8 Ų58.856%0.56434%0.337SS*.  trans-75.97.2173.746.80000114.3I40 D56 S57I40-T42 PolarHBondContact O-N 3.44Å; I40-T42 VanDerWaalsContact O-N 3.09Å; T42-D56 CarbonylContact O-C 3.51Å; T42-S57 WeakPolarHBondContact O-CA 3.4Å; T42-S57 WeakPolarHBondContact O-CB 3.43Å; T42-S57 PolarHBondContact O-N 3.48Å
43S76.5Confident74.9Confident18 Ų1856.9 Ų56.913%0.12633%0.326CS..EExtended strand (participates in β ladder)trans-137.6134.2-169.1-47.80000112.7T41 T55 D56T41-S43 PolarHBondContact O-N 3.43Å; S43-T55 CarbonylContact C-O 3.34Å; S43-T55 WeakPolarHBondContact CA-O 3.47Å; S43-D56 WeakPolarHBondContact CB-OD1 3.48Å; S43-D56 PolarHBondContact OG-OD1 2.97Å
44T84.9Confident75.1Confident55 Ų5558.1 Ų58.134%0.33733%0.333SS..EExtended strand (participates in β ladder)trans-97.8122.7176.7-57.70000109.7V32 V54 T55V32-T44 HydrophobicContact CG1-CG2 4.21Å; T44-V54 WeakPolarHBondContact O-CA 3.33Å; T44-T55 PolarHBondContact N-O 3.34Å; T44-T55 PolarHBondContact O-N 3.4Å
45F87.7Confident75.5Confident58 Ų5859 Ų5925%0.25434%0.338SS..EExtended strand (participates in β ladder)trans-97.2136.2176.3-60.3-85.6000110.3V32 S33 H52 V54 Q155 Y157V32-F45 CarbonylContact C-O 3.5Å; V32-F45 WeakPolarHBondContact CA-O 3.43Å; S33-F45 PolarHBondContact N-O 3.04Å; S33-F45 PolarHBondContact OG-N 3.4Å; S33-F45 PolarHBondContact OG-O 3.15Å; F45-H52 AromaticContact CD1-CE1 3.68Å; F45-V54 HydrophobicContact CD1-CB 3.6Å; F45-V54 HydrophobicContact CD1-CG2 3.56Å; F45-V54 HydrophobicContact CE1-CB 3.62Å; F45-V54 HydrophobicContact CE1-CG2 3.29Å; F45-V54 HydrophobicContact CE2-CG2 4.46Å; F45-V54 HydrophobicContact CG-CG2 4.3Å; F45-V54 HydrophobicContact CZ-CG2 3.79Å; F45-Q155 HydrophobicContact CD2-CG 4.47Å; F45-Y157 HydrophobicContact CB-CE1 4.26Å
46W89.4Confident76.5Confident23 Ų2357.3 Ų57.39%0.08733%0.329CS..EExtended strand (participates in β ladder)trans-143.3148.6174.155.4-92.6000109.9D28 F29 K31 V32 C53 T55D28-W46 HydrophobicContact CB-CE3 4.04Å; D28-W46 HydrophobicContact CB-CH2 3.94Å; D28-W46 HydrophobicContact CB-CZ3 3.42Å; D28-W46 VanDerWaalsContact CB-CZ3 3.42Å; F29-W46 HydrophobicContact CD1-CB 3.99Å; F29-W46 HydrophobicContact CD1-CD2 4.31Å; F29-W46 HydrophobicContact CD1-CE3 4.49Å; F29-W46 HydrophobicContact CD1-CG 4.15Å; F29-W46 HydrophobicContact CE1-CB 4.23Å; F29-W46 AromaticContact CE1-CD2 3.95Å; F29-W46 HydrophobicContact CE1-CD2 3.95Å; F29-W46 HydrophobicContact CE1-CE3 4.39Å; F29-W46 AromaticContact CE1-CG 3.92Å; F29-W46 HydrophobicContact CE1-CG 3.92Å; K31-W46 WeakPolarHBondContact O-CA 3.24Å; V32-W46 HydrophobicContact CG2-CB 4.34Å; W46-C53 HydrophobicContact CD2-CB 3.6Å; W46-C53 HydrophobicContact CE3-CB 3.79Å; W46-C53 HydrophobicContact CG-CB 4.38Å; W46-C53 HydrophobicContact CH2-CB 3.56Å; W46-C53 WeakPolarHBondContact CH2-SG 3.29Å; W46-C53 HydrophobicContact CZ2-CB 3.3Å; W46-C53 VanDerWaalsContact CZ2-SG 3.59Å; W46-C53 HydrophobicContact CZ3-CB 3.76Å; W46-C53 WeakPolarHBondContact CZ3-SG 3.35Å; W46-C53 PolarHBondContact N-O 3.04Å; W46-C53 PolarHBondContact O-N 2.97Å; W46-T55 PolarHBondContact NE1-OG1 3.31Å
47A89.1Confident77.9Confident0 Ų054.3 Ų54.30%032%0.32CS..EExtended strand (participates in β ladder)trans-140.5146.8179.900000110.8D28 W30 K31 H52 F66D28-A47 CarbonylContact O-C 3.22Å; W30-A47 WeakPolarHBondContact CB-O 3.45Å; W30-A47 PolarHBondContact N-O 3.48Å; K31-A47 HydrophobicContact CD-CB 4.38Å; K31-A47 HydrophobicContact CG-CB 3.84Å; K31-A47 PolarHBondContact N-O 3.26Å; K31-A47 VanDerWaalsContact N-O 3.11Å; K31-A47 PolarHBondContact O-N 3.49Å; A47-H52 HydrophobicContact CB-CB 4.37Å; A47-F66 HydrophobicContact CB-CZ 4.32Å
48N89.5Confident79.3Confident5 Ų555.5 Ų55.53%0.02731%0.312CS..  trans-109.9-164.6165.169.313.2000110M27 D28 W30 W50 K51 F66M27-N48 WeakPolarHBondContact O-CB 3.34Å; D28-N48 WeakPolarHBondContact O-CB 3.35Å; D28-N48 PolarHBondContact O-N 3.46Å; D28-N48 PolarHBondContact OD1-ND2 3.44Å; W30-N48 HydrophobicContact CG-CB 4.47Å; N48-W50 VanDerWaalsContact C-N 3.25Å; N48-W50 PolarHBondContact O-N 3.04Å; N48-W50 WeakPolarHBondContact OD1-CA 3.4Å; N48-W50 PolarHBondContact OD1-N 3Å; N48-K51 PolarHBondContact N-O 2.96Å; N48-K51 VanDerWaalsContact N-O 3.08Å; N48-K51 WeakPolarHBondContact OD1-CG 3.48Å; N48-K51 PolarHBondContact OD1-N 3.48Å; N48-K51 PolarHBondContact OD1-O 3.41Å; N48-K51 VanDerWaalsContact OD1-O 3.11Å; N48-F66 WeakPolarHBondContact O-CE2 3.29Å
49L86.8Confident80.9Confident0 Ų055.3 Ų55.30%032%0.319CS..SBendtrans-67.7-23.9176.2-122.963.8000113.1W30 C79 R80 M83 Y139W30-L49 HydrophobicContact CD2-CD1 3.72Å; W30-L49 HydrophobicContact CE3-CD1 3.49Å; W30-L49 VanDerWaalsContact CE3-CD1 3.49Å; W30-L49 HydrophobicContact CH2-CD1 3.75Å; W30-L49 HydrophobicContact CH2-CD2 4.21Å; W30-L49 HydrophobicContact CZ2-CD1 3.94Å; W30-L49 HydrophobicContact CZ2-CD2 4.24Å; W30-L49 HydrophobicContact CZ3-CD1 3.51Å; L49-C79 HydrophobicContact CD1-CB 4.21Å; L49-C79 HydrophobicContact CD2-CB 4.5Å; L49-R80 HydrophobicContact CB-CG 4.29Å; L49-R80 HydrophobicContact CD2-CB 4.21Å; L49-R80 HydrophobicContact CD2-CG 3.65Å; L49-R80 HydrophobicContact CG-CG 3.71Å; L49-R80 PolarHBondContact O-NE 3.46Å; L49-R80 PolarHBondContact O-NH2 3.34Å; L49-M83 HydrophobicContact CD2-CG 4.28Å; L49-Y139 HydrophobicContact CD1-CD2 4.2Å; L49-Y139 HydrophobicContact CD1-CE2 4.04Å
50W88Confident82.6Confident93 Ų9352.7 Ų52.735%0.35230%0.299SS..SBendtrans-110.7-38.2-163.7-53.6104.1000114.7V25 N48 F66 R80 I84V25-W50 HydrophobicContact CG1-CZ2 3.73Å; V25-W50 PolarHBondContact O-NE1 2.99Å; N48-W50 VanDerWaalsContact C-N 3.25Å; N48-W50 PolarHBondContact O-N 3.04Å; N48-W50 WeakPolarHBondContact OD1-CA 3.4Å; N48-W50 PolarHBondContact OD1-N 3Å; W50-F66 VanDerWaalsContact C-CD2 3.42Å; W50-F66 VanDerWaalsContact O-CD2 3.26Å; W50-F66 WeakPolarHBondContact O-CD2 3.01Å; W50-F66 PolarHBondContact O-N 2.85Å; W50-R80 PolarHBondContact O-NH2 3.39Å; W50-I84 HydrophobicContact CH2-CD1 3.74Å; W50-I84 HydrophobicContact CH2-CG1 4.24Å; W50-I84 HydrophobicContact CZ2-CD1 4.47Å
51K88.3Confident84Confident49 Ų4948.6 Ų48.621%0.21328%0.284CS..EExtended strand (participates in β ladder)trans-138.2156.2-173.763.6-177.8-174.2-168.50110.4D28 N48 R64D28-K51 VanDerWaalsContact CG-NZ 3.3Å; D28-K51 WeakPolarHBondContact OD1-CE 3.27Å; D28-K51 IonicContact OD1-NZ 2.82Å; D28-K51 PolarHBondContact OD1-NZ 3Å; D28-K51 IonicContact OD2-NZ 3.09Å; D28-K51 PolarHBondContact OD2-NZ 3.39Å; D28-K51 VanDerWaalsContact OD2-NZ 3.09Å; N48-K51 PolarHBondContact N-O 2.96Å; N48-K51 VanDerWaalsContact N-O 3.08Å; N48-K51 WeakPolarHBondContact OD1-CG 3.48Å; N48-K51 PolarHBondContact OD1-N 3.48Å; N48-K51 PolarHBondContact OD1-O 3.41Å; N48-K51 VanDerWaalsContact OD1-O 3.11Å; K51-R64 WeakPolarHBondContact CA-O 3.49Å
52H88.7Confident85.5Confident51 Ų5150.6 Ų50.624%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-118.1135.9169.9-177.2-82.7000108.6F45 A47 R64 F66F45-H52 AromaticContact CD1-CE1 3.68Å; A47-H52 HydrophobicContact CB-CB 4.37Å; H52-R64 PolarHBondContact N-O 3.23Å; H52-R64 PolarHBondContact O-N 3.23Å; H52-R64 VanDerWaalsContact O-O 3.08Å; H52-F66 HydrophobicContact CB-CE1 3.94Å; H52-F66 HydrophobicContact CB-CZ 3.97Å
53C90Very high86.7Confident0 Ų049.2 Ų49.20%029%0.286CS..EExtended strand (participates in β ladder)trans-131.8149.6-175.5-59.20000110.9W46 N62 C63W46-C53 HydrophobicContact CD2-CB 3.6Å; W46-C53 HydrophobicContact CE3-CB 3.79Å; W46-C53 HydrophobicContact CG-CB 4.38Å; W46-C53 HydrophobicContact CH2-CB 3.56Å; W46-C53 WeakPolarHBondContact CH2-SG 3.29Å; W46-C53 HydrophobicContact CZ2-CB 3.3Å; W46-C53 VanDerWaalsContact CZ2-SG 3.59Å; W46-C53 HydrophobicContact CZ3-CB 3.76Å; W46-C53 WeakPolarHBondContact CZ3-SG 3.35Å; W46-C53 PolarHBondContact N-O 3.04Å; W46-C53 PolarHBondContact O-N 2.97Å; C53-N62 WeakPolarHBondContact CA-O 3.38Å; C53-C63 HydrophobicContact CB-CB 4.1Å; C53-C63 WeakPolarHBondContact CB-SG 3.36Å; C53-C63 VanDerWaalsContact SG-CA 3.53Å; C53-C63 WeakPolarHBondContact SG-CB 3.34Å; C53-C63 CovalentContact SG-SG 2.04Å; C53-C63 PolarHBondContact SG-SG 3.17Å
54V89.4Confident87.1Confident28 Ų2858.2 Ų58.217%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-125.7134.817460.10000108.5T44 F45 S61 N62T44-V54 WeakPolarHBondContact O-CA 3.33Å; F45-V54 HydrophobicContact CD1-CB 3.6Å; F45-V54 HydrophobicContact CD1-CG2 3.56Å; F45-V54 HydrophobicContact CE1-CB 3.62Å; F45-V54 HydrophobicContact CE1-CG2 3.29Å; F45-V54 HydrophobicContact CE2-CG2 4.46Å; F45-V54 HydrophobicContact CG-CG2 4.3Å; F45-V54 HydrophobicContact CZ-CG2 3.79Å; V54-S61 CarbonylContact O-C 3.56Å; V54-S61 VanDerWaalsContact O-CA 3.28Å; V54-S61 WeakPolarHBondContact O-CA 3.42Å; V54-N62 HydrophobicContact CG1-CB 3.93Å; V54-N62 PolarHBondContact N-O 2.96Å; V54-N62 PolarHBondContact O-N 2.68Å
55T88.4Confident87.2Confident33 Ų3361.6 Ų61.620%0.20233%0.333CS..EExtended strand (participates in β ladder)trans-114.5115.5174.9-54.50000108.6S43 T44 W46 I60 S61S43-T55 CarbonylContact C-O 3.34Å; S43-T55 WeakPolarHBondContact CA-O 3.47Å; T44-T55 PolarHBondContact N-O 3.34Å; T44-T55 PolarHBondContact O-N 3.4Å; W46-T55 PolarHBondContact NE1-OG1 3.31Å; T55-I60 WeakPolarHBondContact CA-O 3.47Å; T55-S61 PolarHBondContact OG1-OG 3.24Å
56D85.9Confident86.7Confident53 Ų5360.8 Ų60.828%0.28333%0.33SS..EExtended strand (participates in β ladder)trans-80.4163.9179.2-64.4-39.7000111.2T42 S43 T58 G59 I60T42-D56 CarbonylContact O-C 3.51Å; S43-D56 WeakPolarHBondContact CB-OD1 3.48Å; S43-D56 PolarHBondContact OG-OD1 2.97Å; D56-T58 PolarHBondContact O-N 2.96Å; D56-G59 WeakPolarHBondContact O-CA 3.36Å; D56-G59 PolarHBondContact O-N 3.36Å; D56-I60 PolarHBondContact N-O 2.72Å
57S81.8Confident85.4Confident91 Ų9163.8 Ų63.864%0.63635%0.353SS*.THydrogen-bonded Turntrans-58.3-17.7-18054.20000114.8T42 G59T42-S57 WeakPolarHBondContact O-CA 3.4Å; T42-S57 WeakPolarHBondContact O-CB 3.43Å; T42-S57 PolarHBondContact O-N 3.48Å; S57-G59 PolarHBondContact O-N 2.95Å
58T82Confident83.9Confident104 Ų10468.5 Ų68.564%0.63839%0.385SS*.THydrogen-bonded Turntrans-77.9-3.2172.3550000113.2D56 I60D56-T58 PolarHBondContact O-N 2.96Å; T58-I60 VanDerWaalsContact C-N 3.28Å
59G80.9Confident82.3Confident57 Ų5773.2 Ų73.259%0.58841%0.409SS*.SBendtrans80.14.9-175.900000114D56 S57D56-G59 WeakPolarHBondContact O-CA 3.36Å; D56-G59 PolarHBondContact O-N 3.36Å; S57-G59 PolarHBondContact O-N 2.95Å
60I86.9Confident80.7Confident101 Ų10181.6 Ų81.652%0.51845%0.452SS..  trans-82.5124.2178.8-60174.1000109.1T55 D56 T58T55-I60 WeakPolarHBondContact CA-O 3.47Å; D56-I60 PolarHBondContact N-O 2.72Å; T58-I60 VanDerWaalsContact C-N 3.28Å
61S86.6Confident79Confident65 Ų6581 Ų8146%0.45547%0.467SS..EExtended strand (participates in β ladder)trans-100.4119.3175.7-57.60000111.4V54 T55V54-S61 CarbonylContact O-C 3.56Å; V54-S61 VanDerWaalsContact O-CA 3.28Å; V54-S61 WeakPolarHBondContact O-CA 3.42Å; T55-S61 PolarHBondContact OG1-OG 3.24Å
62N88.8Confident78Confident87 Ų8779.8 Ų79.847%0.46546%0.463SS..EExtended strand (participates in β ladder)trans-103113.1173.2-69.9-73000109.3C53 V54C53-N62 WeakPolarHBondContact CA-O 3.38Å; V54-N62 HydrophobicContact CG1-CB 3.93Å; V54-N62 PolarHBondContact N-O 2.96Å; V54-N62 PolarHBondContact O-N 2.68Å
63C90.4Very high77.2Confident63 Ų6381.7 Ų81.743%0.42647%0.474SS..EExtended strand (participates in β ladder)trans-104138.5178.3-73.80000111.3C53C53-C63 HydrophobicContact CB-CB 4.1Å; C53-C63 WeakPolarHBondContact CB-SG 3.36Å; C53-C63 VanDerWaalsContact SG-CA 3.53Å; C53-C63 WeakPolarHBondContact SG-CB 3.34Å; C53-C63 CovalentContact SG-SG 2.04Å; C53-C63 PolarHBondContact SG-SG 3.17Å
64R86.6Confident76.8Confident206 Ų20684.2 Ų84.278%0.77750%0.5SS*.EExtended strand (participates in β ladder)trans-129.5132.8170.3-64-159.1-178.7-140.13.3110.1K51 H52K51-R64 WeakPolarHBondContact CA-O 3.49Å; H52-R64 PolarHBondContact N-O 3.23Å; H52-R64 PolarHBondContact O-N 3.23Å; H52-R64 VanDerWaalsContact O-O 3.08Å
65D85.3Confident76.5Confident126 Ų12683.9 Ų83.967%0.67450%0.497SS*.EExtended strand (participates in β ladder)trans-66146.9170.7-61.8-61000110.2
66F77.1Confident76.5Confident42 Ų4282.4 Ų82.418%0.18449%0.487CS..PPolyproline II helixtrans-61.6131.8176.4-74-66.4000110.1A47 N48 W50 H52 L72A47-F66 HydrophobicContact CB-CZ 4.32Å; N48-F66 WeakPolarHBondContact O-CE2 3.29Å; W50-F66 VanDerWaalsContact C-CD2 3.42Å; W50-F66 VanDerWaalsContact O-CD2 3.26Å; W50-F66 WeakPolarHBondContact O-CD2 3.01Å; W50-F66 PolarHBondContact O-N 2.85Å; H52-F66 HydrophobicContact CB-CE1 3.94Å; H52-F66 HydrophobicContact CB-CZ 3.97Å; F66-L72 HydrophobicContact CB-CD1 3.76Å; F66-L72 HydrophobicContact CB-CD2 3.85Å; F66-L72 HydrophobicContact CB-CG 4.42Å; F66-L72 HydrophobicContact CD1-CD1 3.37Å; F66-L72 HydrophobicContact CD2-CD1 4.4Å; F66-L72 HydrophobicContact CD2-CD2 4.36Å; F66-L72 HydrophobicContact CE1-CD1 4.04Å; F66-L72 HydrophobicContact CG-CD1 3.59Å; F66-L72 HydrophobicContact CG-CD2 4.06Å
67P63.4Low76.6Confident86 Ų8684.1 Ų84.156%0.55849%0.493SS*.PPolyproline II helixtrans-59.2152.8176.225.5-32.3000110
68S57Low76.9Confident98 Ų9882 Ų8269%0.68548%0.481SS*.  trans-23.9141.2-173.7-46.40000115.8L70 A71S68-L70 PolarHBondContact O-N 2.82Å; S68-A71 PolarHBondContact O-N 2.9Å
69M55.5Low77.4Confident105 Ų10577 Ų7752%0.51745%0.451SS..THydrogen-bonded Turntrans-41.1-25.2-177.1-71.7-78.6-16100116.4Q77M69-Q77 PolarHBondContact O-OE1 3.48Å; M69-Q77 HydrophobicContact SD-CG 4.15Å
70L52.8Low77.9Confident176 Ų17675.3 Ų75.392%0.92143%0.427SS*.THydrogen-bonded Turntrans-79.5-19.8-179.5-149.184.3000114.7S68S68-L70 PolarHBondContact O-N 2.82Å
71A53Low78.1Confident79 Ų7972.5 Ų72.565%0.65342%0.423SS*.SBendtrans-108.44-175.500000113.4S68S68-A71 PolarHBondContact O-N 2.9Å
72L66.6Low78.4Confident24 Ų2472.1 Ų72.113%0.12642%0.415CS..SBendtrans-97.4148.9-176.7-166.959000110.9F66 G74 I76F66-L72 HydrophobicContact CB-CD1 3.76Å; F66-L72 HydrophobicContact CB-CD2 3.85Å; F66-L72 HydrophobicContact CB-CG 4.42Å; F66-L72 HydrophobicContact CD1-CD1 3.37Å; F66-L72 HydrophobicContact CD2-CD1 4.4Å; F66-L72 HydrophobicContact CD2-CD2 4.36Å; F66-L72 HydrophobicContact CE1-CD1 4.04Å; F66-L72 HydrophobicContact CG-CD1 3.59Å; F66-L72 HydrophobicContact CG-CD2 4.06Å; L72-G74 PolarHBondContact O-N 3.23Å; L72-I76 HydrophobicContact CD1-CD1 4.12Å; L72-I76 HydrophobicContact CD2-CB 4.23Å; L72-I76 HydrophobicContact CD2-CG2 3.89Å; L72-I76 HydrophobicContact CG-CB 4.31Å; L72-I76 HydrophobicContact CG-CD1 4.35Å; L72-I76 HydrophobicContact CG-CG2 4.47Å
73D73.7Confident78.6Confident91 Ų9168 Ų6849%0.48739%0.393SS..  trans-52.8125.4175-83.9-47.1000111.5Y75 I76D73-Y75 HydrophobicContact CB-CD1 3.57Å; D73-Y75 HydrophobicContact CB-CE1 3.42Å; D73-Y75 VanDerWaalsContact CB-CE1 3.42Å; D73-Y75 PolarHBondContact O-N 3.45Å; D73-I76 HydrophobicContact CB-CD1 4.19Å; D73-I76 HydrophobicContact CB-CG1 4.23Å; D73-I76 PolarHBondContact O-N 2.96Å
74G80.8Confident78.8Confident53 Ų5368.5 Ų68.555%0.54639%0.391SS..Hα-helixtrans-57.6-26.9-173.700000114.2L72 Q77 A78L72-G74 PolarHBondContact O-N 3.23Å; G74-Q77 PolarHBondContact O-N 3.48Å; G74-A78 PolarHBondContact O-N 3.21Å
75Y84.1Confident79.1Confident22 Ų2260.9 Ų60.99%0.08637%0.372CS..Hα-helixtrans-67.5-35.7176.579.4-95.7000112.7D73 Q77 A78 C79 L138 Y139 R142D73-Y75 HydrophobicContact CB-CD1 3.57Å; D73-Y75 HydrophobicContact CB-CE1 3.42Å; D73-Y75 VanDerWaalsContact CB-CE1 3.42Å; D73-Y75 PolarHBondContact O-N 3.45Å; Y75-Q77 VanDerWaalsContact C-N 3.34Å; Y75-A78 PolarHBondContact O-N 3.46Å; Y75-C79 PolarHBondContact O-N 3.03Å; Y75-C79 PolarHBondContact O-SG 3.45Å; Y75-L138 HydrophobicContact CD2-CD2 4.39Å; Y75-L138 HydrophobicContact CG-CD2 4.47Å; Y75-Y139 HydrophobicContact CD2-CD2 4.14Å; Y75-Y139 AromaticContact CE2-CD2 3.77Å; Y75-Y139 HydrophobicContact CE2-CD2 3.77Å; Y75-Y139 AromaticContact CE2-CE2 3.81Å; Y75-Y139 HydrophobicContact CE2-CE2 3.81Å; Y75-R142 HydrophobicContact CD1-CG 4.22Å; Y75-R142 HydrophobicContact CD2-CB 4.34Å; Y75-R142 HydrophobicContact CD2-CG 3.95Å; Y75-R142 HydrophobicContact CE2-CB 4.24Å; Y75-R142 HydrophobicContact CE2-CG 4.36Å; Y75-R142 HydrophobicContact CG-CG 3.9Å
76I86.3Confident79.6Confident2 Ų255 Ų551%0.0134%0.34CS..Hα-helixtrans-67.8-40.8178.2-58.6178.8000109.5L72 D73 C79 R80 Y139L72-I76 HydrophobicContact CD1-CD1 4.12Å; L72-I76 HydrophobicContact CD2-CB 4.23Å; L72-I76 HydrophobicContact CD2-CG2 3.89Å; L72-I76 HydrophobicContact CG-CB 4.31Å; L72-I76 HydrophobicContact CG-CD1 4.35Å; L72-I76 HydrophobicContact CG-CG2 4.47Å; D73-I76 HydrophobicContact CB-CD1 4.19Å; D73-I76 HydrophobicContact CB-CG1 4.23Å; D73-I76 PolarHBondContact O-N 2.96Å; I76-C79 PolarHBondContact O-N 3.41Å; I76-R80 WeakPolarHBondContact O-CG 3.41Å; I76-R80 PolarHBondContact O-N 2.87Å; I76-Y139 HydrophobicContact CG1-CE2 4.3Å
77Q88.8Confident80.5Confident88 Ų8854.8 Ų54.841%0.41134%0.341SS..Hα-helixtrans-65.1-40176.3-171.6173.2-600112M69 G74 Y75 R80 G81M69-Q77 PolarHBondContact O-OE1 3.48Å; M69-Q77 HydrophobicContact SD-CG 4.15Å; G74-Q77 PolarHBondContact O-N 3.48Å; Y75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-R80 PolarHBondContact O-N 2.9Å; Q77-G81 PolarHBondContact O-N 3.19Å
78A89.3Confident82Confident46 Ų4653.9 Ų53.938%0.3834%0.336SS..Hα-helixtrans-61.7-47173.600000111.8G74 Y75 R80 G81 L82G74-A78 PolarHBondContact O-N 3.21Å; Y75-A78 PolarHBondContact O-N 3.46Å; A78-R80 PolarHBondContact O-N 3.23Å; A78-G81 PolarHBondContact O-N 2.98Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 3.44Å
79C91.6Very high83.8Confident0 Ų052.3 Ų52.30%032%0.32CS..Hα-helixtrans-59.9-43.7175.5-67.10000111.7L49 Y75 I76 G81 L82 M83 A135L49-C79 HydrophobicContact CD1-CB 4.21Å; L49-C79 HydrophobicContact CD2-CB 4.5Å; Y75-C79 PolarHBondContact O-N 3.03Å; Y75-C79 PolarHBondContact O-SG 3.45Å; I76-C79 PolarHBondContact O-N 3.41Å; C79-G81 PolarHBondContact O-N 2.97Å; C79-L82 PolarHBondContact O-N 3.13Å; C79-M83 WeakPolarHBondContact O-CB 3.47Å; C79-M83 WeakPolarHBondContact O-CG 3.42Å; C79-M83 PolarHBondContact O-N 3.04Å; C79-A135 HydrophobicContact CB-CB 4.45Å; C79-A135 PolarHBondContact SG-O 2.9Å
80R91.1Very high85.7Confident22 Ų2247.3 Ų47.38%0.08330%0.295CS..Hα-helixtrans-57.3-50.3175.1-75.2177.8179.6-177.3-1.4111.4L49 W50 I76 Q77 A78 L82 M83 I84L49-R80 HydrophobicContact CB-CG 4.29Å; L49-R80 HydrophobicContact CD2-CB 4.21Å; L49-R80 HydrophobicContact CD2-CG 3.65Å; L49-R80 HydrophobicContact CG-CG 3.71Å; L49-R80 PolarHBondContact O-NE 3.46Å; L49-R80 PolarHBondContact O-NH2 3.34Å; W50-R80 PolarHBondContact O-NH2 3.39Å; I76-R80 WeakPolarHBondContact O-CG 3.41Å; I76-R80 PolarHBondContact O-N 2.87Å; Q77-R80 PolarHBondContact O-N 2.9Å; A78-R80 PolarHBondContact O-N 3.23Å; R80-L82 PolarHBondContact O-N 3.28Å; R80-M83 PolarHBondContact O-N 3.43Å; R80-I84 HydrophobicContact CB-CD1 4.48Å; R80-I84 WeakPolarHBondContact O-CB 3.44Å; R80-I84 WeakPolarHBondContact O-CD1 3.21Å; R80-I84 WeakPolarHBondContact O-CG1 3.38Å; R80-I84 PolarHBondContact O-N 3.27Å
81G91.3Very high87.7Confident42 Ų4243 Ų4343%0.43327%0.273SS..Hα-helixtrans-58.7-47.5179.800000112.2Q77 A78 C79 A85Q77-G81 PolarHBondContact O-N 3.19Å; A78-G81 PolarHBondContact O-N 2.98Å; C79-G81 PolarHBondContact O-N 2.97Å; G81-A85 WeakPolarHBondContact O-CB 3.38Å; G81-A85 PolarHBondContact O-N 3.37Å
82L92.8Very high89.6Confident57 Ų5744.9 Ų44.930%0.29827%0.266SS..Hα-helixtrans-62.3-46.3178.6-73.2169.6000112.4A78 C79 R80 A85 A86 C131 A135A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 3.13Å; R80-L82 PolarHBondContact O-N 3.28Å; L82-A85 PolarHBondContact O-N 3.02Å; L82-A86 VanDerWaalsContact O-CB 3.26Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.43Å; L82-C131 HydrophobicContact CD2-CB 4.32Å; L82-A135 HydrophobicContact CB-CB 3.86Å; L82-A135 HydrophobicContact CD1-CB 4.06Å
83M93.8Very high91Very high1 Ų143.8 Ų43.81%0.00526%0.26CS..Hα-helixtrans-67.5-42.9-179-67.1-63.4-69.900112.2E21 T24 V25 W30 L49 C79 R80 A86 I87 S132 A135E21-M83 WeakPolarHBondContact OE2-CE 3.45Å; T24-M83 HydrophobicContact CG2-CE 4.05Å; V25-M83 HydrophobicContact CG2-CB 3.61Å; V25-M83 HydrophobicContact CG2-CE 3.4Å; V25-M83 HydrophobicContact CG2-CG 4.16Å; W30-M83 HydrophobicContact CH2-CE 4.1Å; W30-M83 HydrophobicContact CH2-CG 4.05Å; W30-M83 HydrophobicContact CH2-SD 4.2Å; W30-M83 HydrophobicContact CZ2-CE 4.25Å; L49-M83 HydrophobicContact CD2-CG 4.28Å; C79-M83 WeakPolarHBondContact O-CB 3.47Å; C79-M83 WeakPolarHBondContact O-CG 3.42Å; C79-M83 PolarHBondContact O-N 3.04Å; R80-M83 PolarHBondContact O-N 3.43Å; M83-A86 PolarHBondContact O-N 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.36Å; M83-I87 PolarHBondContact O-N 3.04Å; M83-S132 PolarHBondContact SD-OG 3.44Å; M83-A135 HydrophobicContact CG-CB 4Å; M83-A135 HydrophobicContact SD-CB 3.85Å
84I93.8Very high91.9Very high73 Ų7340 Ų4037%0.37424%0.241SC..Hα-helixtrans-64.7-45177.1-63.8162.9000110.2W50 R80 A86 I87 C88W50-I84 HydrophobicContact CH2-CD1 3.74Å; W50-I84 HydrophobicContact CH2-CG1 4.24Å; W50-I84 HydrophobicContact CZ2-CD1 4.47Å; R80-I84 HydrophobicContact CB-CD1 4.48Å; R80-I84 WeakPolarHBondContact O-CB 3.44Å; R80-I84 WeakPolarHBondContact O-CD1 3.21Å; R80-I84 WeakPolarHBondContact O-CG1 3.38Å; R80-I84 PolarHBondContact O-N 3.27Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 2.93Å; I84-I87 PolarHBondContact O-N 3.21Å; I84-C88 WeakPolarHBondContact O-CB 3.36Å; I84-C88 PolarHBondContact O-N 3.31Å; I84-C88 PolarHBondContact O-SG 2.77Å; I84-C88 VanDerWaalsContact O-SG 3.35Å
85A94.2Very high92.5Very high45 Ų4541.1 Ų41.137%0.37224%0.237SC..Hα-helixtrans-60.4-44176.800000111.3G81 L82 I87 C88 L89G81-A85 WeakPolarHBondContact O-CB 3.38Å; G81-A85 PolarHBondContact O-N 3.37Å; L82-A85 PolarHBondContact O-N 3.02Å; A85-I87 PolarHBondContact O-N 3.47Å; A85-C88 PolarHBondContact O-N 2.8Å; A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 VanDerWaalsContact O-CG 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.37Å; A85-L89 PolarHBondContact O-N 3.2Å
86A94.6Very high92.9Very high2 Ų244.8 Ų44.82%0.01725%0.254CS..Hα-helixtrans-60.3-43176.400000112.3L82 M83 I84 G90 C131L82-A86 VanDerWaalsContact O-CB 3.26Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.43Å; M83-A86 PolarHBondContact O-N 3.28Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 2.93Å; A86-G90 PolarHBondContact O-N 3.09Å; A86-C131 HydrophobicContact CB-CB 4.29Å
87I95.3Very high93.2Very high39 Ų3944.7 Ų44.720%0.225%0.253CS..Hα-helixtrans-65-47.3177.5-69.2168000111W18 V25 M83 I84 A85 G90 L91W18-I87 HydrophobicContact CZ2-CG2 4.5Å; W18-I87 PolarHBondContact NE1-O 2.93Å; V25-I87 HydrophobicContact CB-CD1 3.97Å; V25-I87 HydrophobicContact CG1-CD1 4.4Å; V25-I87 HydrophobicContact CG2-CD1 3.51Å; M83-I87 WeakPolarHBondContact O-CG1 3.36Å; M83-I87 PolarHBondContact O-N 3.04Å; I84-I87 PolarHBondContact O-N 3.21Å; A85-I87 PolarHBondContact O-N 3.47Å; I87-G90 PolarHBondContact O-N 3.25Å; I87-L91 PolarHBondContact O-N 3.39Å
88C95.8Very high93.3Very high66 Ų6644.1 Ų44.145%0.44625%0.253SS..Hα-helixtrans-62.3-47.9179.6-71.30000111.7I84 A85 L91 F92I84-C88 WeakPolarHBondContact O-CB 3.36Å; I84-C88 PolarHBondContact O-N 3.31Å; I84-C88 PolarHBondContact O-SG 2.77Å; I84-C88 VanDerWaalsContact O-SG 3.35Å; A85-C88 PolarHBondContact O-N 2.8Å; C88-L91 WeakPolarHBondContact O-CB 3.13Å; C88-L91 PolarHBondContact O-N 2.92Å; C88-F92 WeakPolarHBondContact O-CD2 3.28Å; C88-F92 PolarHBondContact O-N 3.19Å
89L94.6Very high93.4Very high66 Ų6644.1 Ų44.135%0.34625%0.247SC..Hα-helixtrans-65.5-40.8178.2-68.6171.1000111.2A85 L91 F92 G93 C127A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 VanDerWaalsContact O-CG 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.37Å; A85-L89 PolarHBondContact O-N 3.2Å; L89-L91 VanDerWaalsContact C-N 3.26Å; L89-L91 PolarHBondContact O-N 3.24Å; L89-F92 CarbonylContact O-C 3.46Å; L89-F92 WeakPolarHBondContact O-CA 3.42Å; L89-F92 WeakPolarHBondContact O-CB 3.49Å; L89-F92 PolarHBondContact O-N 2.98Å; L89-G93 PolarHBondContact O-N 3.28Å; L89-C127 HydrophobicContact CB-CB 4.02Å; L89-C127 HydrophobicContact CD1-CB 3.66Å; L89-C127 HydrophobicContact CG-CB 4.44Å
90G94.7Very high93.2Very high0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-62.6-28.5175.700000114.5A86 I87 S94 V128A86-G90 PolarHBondContact O-N 3.09Å; I87-G90 PolarHBondContact O-N 3.25Å; G90-S94 WeakPolarHBondContact O-CB 3.41Å; G90-S94 PolarHBondContact O-N 2.99Å; G90-S94 PolarHBondContact O-OG 3.49Å; G90-V128 VanDerWaalsContact CA-CG2 3.41Å
91L95.5Very high93.1Very high86 Ų8643.5 Ų43.545%0.4525%0.246SC..Hα-helixtrans-65.4-47.8169.9-175108.8000110.6W18 I87 C88 L89 S94 V95W18-L91 HydrophobicContact CH2-CD1 3.8Å; W18-L91 HydrophobicContact CZ2-CB 3.91Å; W18-L91 HydrophobicContact CZ2-CD1 3.81Å; W18-L91 HydrophobicContact CZ2-CG 4.46Å; I87-L91 PolarHBondContact O-N 3.39Å; C88-L91 WeakPolarHBondContact O-CB 3.13Å; C88-L91 PolarHBondContact O-N 2.92Å; L89-L91 VanDerWaalsContact C-N 3.26Å; L89-L91 PolarHBondContact O-N 3.24Å; L91-S94 WeakPolarHBondContact O-CB 3.09Å; L91-S94 PolarHBondContact O-N 3.35Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 2.92Å; L91-V95 VanDerWaalsContact O-N 3.09Å
92F94.1Very high92.6Very high118 Ų11846.7 Ų46.752%0.51825%0.248SC..Hα-helixtrans-62.7-43.5175.9-69.5-69.5000111.7C88 L89 S94 V95 F96C88-F92 WeakPolarHBondContact O-CD2 3.28Å; C88-F92 PolarHBondContact O-N 3.19Å; L89-F92 CarbonylContact O-C 3.46Å; L89-F92 WeakPolarHBondContact O-CA 3.42Å; L89-F92 WeakPolarHBondContact O-CB 3.49Å; L89-F92 PolarHBondContact O-N 2.98Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 3.35Å; F92-V95 PolarHBondContact O-N 2.96Å; F92-F96 HydrophobicContact CB-CE2 4.21Å; F92-F96 WeakPolarHBondContact O-CD2 3.46Å; F92-F96 WeakPolarHBondContact O-CG 3.44Å; F92-F96 PolarHBondContact O-N 3.39Å
93G94.1Very high92Very high0 Ų047.5 Ų47.50%026%0.258CS..Hα-helixtrans-56.5-41.9172.700000112.4L89 F96 A97 D123 F124L89-G93 PolarHBondContact O-N 3.28Å; G93-F96 PolarHBondContact O-N 2.89Å; G93-A97 WeakPolarHBondContact O-CB 3.35Å; G93-A97 PolarHBondContact O-N 2.79Å; G93-D123 WeakPolarHBondContact CA-OD2 3.35Å; G93-F124 VanDerWaalsContact C-CE2 3.46Å
94S94.3Very high91.5Very high13 Ų1348.8 Ų48.89%0.09127%0.266CS..Hα-helixtrans-63-43.2176.4-62.30000112.2G90 L91 F92 A97 L98 F124G90-S94 WeakPolarHBondContact O-CB 3.41Å; G90-S94 PolarHBondContact O-N 2.99Å; G90-S94 PolarHBondContact O-OG 3.49Å; L91-S94 WeakPolarHBondContact O-CB 3.09Å; L91-S94 PolarHBondContact O-N 3.35Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 3.35Å; S94-A97 PolarHBondContact O-N 3.44Å; S94-L98 WeakPolarHBondContact O-CG 3.34Å; S94-L98 PolarHBondContact O-N 3.48Å; S94-F124 WeakPolarHBondContact OG-CZ 3.4Å
95V93.7Very high90.6Very high75 Ų7555.3 Ų55.346%0.45529%0.291SS..Hα-helixtrans-64.8-44.2176.61750000110.8L91 F92 L98 V99L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 2.92Å; L91-V95 VanDerWaalsContact O-N 3.09Å; F92-V95 PolarHBondContact O-N 2.96Å; V95-L98 PolarHBondContact O-N 2.94Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.28Å
96F92Very high89.9Confident100 Ų10057.6 Ų57.644%0.43930%0.296SS..Hα-helixtrans-64.6-39.5176.3-65.9-39.7000112.2F92 G93 V99 G100 I116 A120F92-F96 HydrophobicContact CB-CE2 4.21Å; F92-F96 WeakPolarHBondContact O-CD2 3.46Å; F92-F96 WeakPolarHBondContact O-CG 3.44Å; F92-F96 PolarHBondContact O-N 3.39Å; G93-F96 PolarHBondContact O-N 2.89Å; F96-V99 PolarHBondContact O-N 3.44Å; F96-G100 PolarHBondContact O-N 2.85Å; F96-I116 HydrophobicContact CB-CG2 4.01Å; F96-I116 HydrophobicContact CD1-CG2 4.42Å; F96-I116 WeakPolarHBondContact O-CG2 3.25Å; F96-A120 HydrophobicContact CB-CB 3.86Å
97A92.2Very high88.6Confident0 Ų061.1 Ų61.10%033%0.333CS..Hα-helixtrans-59.8-47.417400000110.9F11 G93 S94 V99 G100 M101 A120 F124 F180F11-A97 HydrophobicContact CD2-CB 4.05Å; F11-A97 HydrophobicContact CE2-CB 4.34Å; G93-A97 WeakPolarHBondContact O-CB 3.35Å; G93-A97 PolarHBondContact O-N 2.79Å; S94-A97 PolarHBondContact O-N 3.44Å; A97-V99 PolarHBondContact O-N 3.3Å; A97-G100 PolarHBondContact O-N 2.95Å; A97-M101 WeakPolarHBondContact O-CG 3.42Å; A97-M101 PolarHBondContact O-N 3.47Å; A97-A120 HydrophobicContact CB-CB 3.93Å; A97-F124 HydrophobicContact CB-CE2 4.28Å; A97-F180 HydrophobicContact CB-CE2 4.26Å; A97-F180 HydrophobicContact CB-CZ 3.96Å
98L91.4Very high87.8Confident76 Ų7662.1 Ų62.140%0.39835%0.352SS..Hα-helixtrans-55.7-48.1175.9-76.8171.9000112.2F11 S94 V95 M101 T104F11-L98 HydrophobicContact CE1-CD2 4Å; F11-L98 HydrophobicContact CE2-CD2 3.68Å; F11-L98 HydrophobicContact CE2-CG 3.7Å; F11-L98 HydrophobicContact CZ-CD1 4.36Å; F11-L98 HydrophobicContact CZ-CD2 3.33Å; F11-L98 HydrophobicContact CZ-CG 3.73Å; S94-L98 WeakPolarHBondContact O-CG 3.34Å; S94-L98 PolarHBondContact O-N 3.48Å; V95-L98 PolarHBondContact O-N 2.94Å; L98-M101 HydrophobicContact CD2-CE 3.73Å; L98-T104 WeakPolarHBondContact O-CB 3.1Å; L98-T104 VanDerWaalsContact O-CG2 3.31Å; L98-T104 WeakPolarHBondContact O-CG2 3.46Å; L98-T104 PolarHBondContact O-OG1 3.42Å
99V90.6Very high87.2Confident45 Ų4562 Ų6227%0.27335%0.353SS..Hα-helixtrans-70.2-32.8-179.5175.90000112.4V95 F96 A97 I106V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.28Å; F96-V99 PolarHBondContact O-N 3.44Å; A97-V99 PolarHBondContact O-N 3.3Å; V99-I106 HydrophobicContact CG1-CG2 4.23Å
100G87.6Confident86.5Confident2 Ų264.5 Ų64.52%0.02137%0.366CS..Hα-helixtrans-79.2-21.6-176.600000115.1F96 A97 K113F96-G100 PolarHBondContact O-N 2.85Å; A97-G100 PolarHBondContact O-N 2.95Å; G100-K113 WeakPolarHBondContact CA-O 3.22Å; G100-K113 CarbonylContact O-C 3.51Å
101M88.2Confident85.9Confident8 Ų870.1 Ų70.14%0.03939%0.391CS..SBendtrans-65.6147178.4-76.2-172.2-69.100112.7E7 F11 A97 L98 C103 T104 F180E7-M101 HydrophobicContact CB-CG 4.48Å; F11-M101 HydrophobicContact CB-CE 4.4Å; F11-M101 HydrophobicContact CB-SD 3.89Å; F11-M101 HydrophobicContact CD1-CE 4.24Å; F11-M101 HydrophobicContact CD2-CE 3.92Å; F11-M101 HydrophobicContact CD2-SD 4.38Å; F11-M101 HydrophobicContact CE2-CE 4.27Å; F11-M101 HydrophobicContact CG-CE 3.9Å; F11-M101 HydrophobicContact CG-SD 4.06Å; A97-M101 WeakPolarHBondContact O-CG 3.42Å; A97-M101 PolarHBondContact O-N 3.47Å; L98-M101 HydrophobicContact CD2-CE 3.73Å; M101-C103 VanDerWaalsContact C-N 3.26Å; M101-C103 PolarHBondContact O-N 3.37Å; M101-T104 PolarHBondContact O-N 2.86Å; M101-F180 HydrophobicContact CG-CE1 4.34Å
102K81.8Confident85.5Confident109 Ų10970.5 Ų70.547%0.47439%0.393SS..THydrogen-bonded Turntrans-66.8-26178.6-65.4-170.9-176.885.50113.5E7 T104E7-K102 IonicContact OE1-NZ 2.65Å; E7-K102 PolarHBondContact OE1-NZ 3.29Å; E7-K102 PolarHBondContact OE2-N 3.34Å; K102-T104 VanDerWaalsContact C-N 3.26Å; K102-T104 PolarHBondContact O-N 3.07Å
103C80.8Confident85.1Confident73 Ų7365.9 Ų65.949%0.49337%0.373SS..THydrogen-bonded Turntrans-73.4-16.7178.457.20000113.4M101M101-C103 VanDerWaalsContact C-N 3.26Å; M101-C103 PolarHBondContact O-N 3.37Å
104T82.4Confident84.7Confident29 Ų2966.4 Ų66.418%0.17838%0.378CS..  trans-90.8113.4-176.4-610000110.9L98 M101 K102 I106 K113L98-T104 WeakPolarHBondContact O-CB 3.1Å; L98-T104 VanDerWaalsContact O-CG2 3.31Å; L98-T104 WeakPolarHBondContact O-CG2 3.46Å; L98-T104 PolarHBondContact O-OG1 3.42Å; M101-T104 PolarHBondContact O-N 2.86Å; K102-T104 VanDerWaalsContact C-N 3.26Å; K102-T104 PolarHBondContact O-N 3.07Å; T104-I106 HydrophobicContact CG2-CB 4.45Å; T104-I106 HydrophobicContact CG2-CD1 3.27Å; T104-I106 HydrophobicContact CG2-CG1 4.41Å; T104-I106 PolarHBondContact O-N 2.97Å; T104-K113 PolarHBondContact O-NZ 3.48Å
105K75.9Confident84.4Confident209 Ų20972.7 Ų72.791%0.90940%0.399SS*.  trans-85.751.2-178.5-158.1171.4-178.7173.70113
106I77.9Confident84.2Confident94 Ų9471.8 Ų71.848%0.48239%0.391SS..  trans-83.8121158.2-83.488.7000106V99 T104 K113V99-I106 HydrophobicContact CG1-CG2 4.23Å; T104-I106 HydrophobicContact CG2-CB 4.45Å; T104-I106 HydrophobicContact CG2-CD1 3.27Å; T104-I106 HydrophobicContact CG2-CG1 4.41Å; T104-I106 PolarHBondContact O-N 2.97Å; I106-K113 VanDerWaalsContact O-CE 3.23Å; I106-K113 WeakPolarHBondContact O-CE 3.23Å; I106-K113 PolarHBondContact O-NZ 2.97Å
107G67.5Low84.2Confident75 Ų7567.2 Ų67.277%0.77337%0.372SS*.  trans-50.8155.8-17600000114.1
108G78Confident84.1Confident60 Ų6069.2 Ų69.262%0.61939%0.385SS*.SBendtrans143.4165.1-178.300000112.3
109S83Confident84.1Confident65 Ų6572.7 Ų72.746%0.45540%0.397SS..  trans-72.6144.3174.4-1800000111K111 N112 K113S109-K111 PolarHBondContact O-N 3.34Å; S109-K111 VanDerWaalsContact O-N 3.09Å; S109-K111 PolarHBondContact OG-N 2.93Å; S109-N112 PolarHBondContact O-N 3.48Å; S109-K113 PolarHBondContact O-N 3.39Å
110D81.8Confident84.3Confident118 Ų11870.5 Ų70.563%0.63138%0.384SS*.Hα-helixtrans-53-31.5174.7-64.2-39.1000112.7K113 A114D110-K113 PolarHBondContact O-N 2.94Å; D110-A114 WeakPolarHBondContact O-CB 3.47Å; D110-A114 PolarHBondContact O-N 3.15Å
111K81.5Confident84.6Confident118 Ų11870.4 Ų70.451%0.51338%0.383SS..Hα-helixtrans-65.8-37.9176.5-62.8179.569.8169.90112.3S109 R115S109-K111 PolarHBondContact O-N 3.34Å; S109-K111 VanDerWaalsContact O-N 3.09Å; S109-K111 PolarHBondContact OG-N 2.93Å; K111-R115 WeakPolarHBondContact O-CG 3.41Å; K111-R115 PolarHBondContact O-N 2.92Å; K111-R115 VanDerWaalsContact O-N 3.13Å
112N86Confident84.9Confident93 Ų9372.8 Ų72.850%0.49740%0.398SS..Hα-helixtrans-73.2-42178.6-74.735.1000110.5S109 A114 R115 I116S109-N112 PolarHBondContact O-N 3.48Å; N112-A114 VanDerWaalsContact C-N 3.34Å; N112-A114 PolarHBondContact O-N 3.4Å; N112-R115 PolarHBondContact O-N 2.92Å; N112-I116 VanDerWaalsContact O-CG1 3.27Å; N112-I116 WeakPolarHBondContact O-CG1 3.46Å; N112-I116 PolarHBondContact O-N 3.25Å
113K86.1Confident85.6Confident21 Ų2169 Ų699%0.09138%0.383CS..Hα-helixtrans-56.6-47.9173.9-72.1177.7173.1-74.40111.7G100 T104 I106 S109 D110 R115 I116 A117G100-K113 WeakPolarHBondContact CA-O 3.22Å; G100-K113 CarbonylContact O-C 3.51Å; T104-K113 PolarHBondContact O-NZ 3.48Å; I106-K113 VanDerWaalsContact O-CE 3.23Å; I106-K113 WeakPolarHBondContact O-CE 3.23Å; I106-K113 PolarHBondContact O-NZ 2.97Å; S109-K113 PolarHBondContact O-N 3.39Å; D110-K113 PolarHBondContact O-N 2.94Å; K113-R115 PolarHBondContact O-N 3.01Å; K113-I116 PolarHBondContact O-N 3.02Å; K113-A117 WeakPolarHBondContact O-CB 3.42Å; K113-A117 PolarHBondContact O-N 2.95Å
114A86.1Confident86.3Confident12 Ų1265.5 Ų65.510%0.09936%0.359CS..Hα-helixtrans-60.2-41.8176.500000112.6D110 N112 A117 C118 V184 F188D110-A114 WeakPolarHBondContact O-CB 3.47Å; D110-A114 PolarHBondContact O-N 3.15Å; N112-A114 VanDerWaalsContact C-N 3.34Å; N112-A114 PolarHBondContact O-N 3.4Å; A114-A117 PolarHBondContact O-N 3.19Å; A114-C118 WeakPolarHBondContact O-CB 3.36Å; A114-C118 PolarHBondContact O-N 3.35Å; A114-V184 HydrophobicContact CB-CG1 4.1Å; A114-V184 WeakPolarHBondContact O-CG1 3.02Å; A114-V184 WeakPolarHBondContact O-CG2 3.24Å; A114-F188 HydrophobicContact CB-CE2 3.92Å; A114-F188 HydrophobicContact CB-CZ 3.98Å
115R87.5Confident87Confident145 Ų14565.7 Ų65.755%0.54736%0.359SS..Hα-helixtrans-62-46.9174.9-75178.8177.8-172.4-2.6111.9K111 N112 K113 A117 C118 F119 F188K111-R115 WeakPolarHBondContact O-CG 3.41Å; K111-R115 PolarHBondContact O-N 2.92Å; K111-R115 VanDerWaalsContact O-N 3.13Å; N112-R115 PolarHBondContact O-N 2.92Å; K113-R115 PolarHBondContact O-N 3.01Å; R115-A117 VanDerWaalsContact C-N 3.34Å; R115-A117 PolarHBondContact O-N 3.08Å; R115-C118 WeakPolarHBondContact O-CB 3.36Å; R115-C118 PolarHBondContact O-N 3.17Å; R115-F119 WeakPolarHBondContact O-CD2 3.41Å; R115-F119 PolarHBondContact O-N 2.96Å; R115-F188 HydrophobicContact CG-CZ 4.02Å
116I90.8Very high87.9Confident56 Ų5660.1 Ų60.129%0.28734%0.339SS..Hα-helixtrans-62.3-42.8179.5-64.1162.9000110.5F96 N112 K113 C118 F119 A120F96-I116 HydrophobicContact CB-CG2 4.01Å; F96-I116 HydrophobicContact CD1-CG2 4.42Å; F96-I116 WeakPolarHBondContact O-CG2 3.25Å; N112-I116 VanDerWaalsContact O-CG1 3.27Å; N112-I116 WeakPolarHBondContact O-CG1 3.46Å; N112-I116 PolarHBondContact O-N 3.25Å; K113-I116 PolarHBondContact O-N 3.02Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.02Å; I116-F119 PolarHBondContact O-N 2.71Å; I116-A120 PolarHBondContact O-N 2.89Å
117A90.6Very high88.6Confident3 Ų357.4 Ų57.43%0.02533%0.328CS..Hα-helixtrans-62.4-37.7175.200000112.6K113 A114 R115 A120 G121 V184K113-A117 WeakPolarHBondContact O-CB 3.42Å; K113-A117 PolarHBondContact O-N 2.95Å; A114-A117 PolarHBondContact O-N 3.19Å; R115-A117 VanDerWaalsContact C-N 3.34Å; R115-A117 PolarHBondContact O-N 3.08Å; A117-A120 PolarHBondContact O-N 3.37Å; A117-G121 PolarHBondContact O-N 3.29Å; A117-V184 HydrophobicContact CB-CG2 3.95Å
118C90.4Very high89.9Confident43 Ų4353.8 Ų53.829%0.29129%0.291SS..Hα-helixtrans-65.2-45.8174.2-1720000111.7A114 R115 I116 A120 G121 V122 V184A114-C118 WeakPolarHBondContact O-CB 3.36Å; A114-C118 PolarHBondContact O-N 3.35Å; R115-C118 WeakPolarHBondContact O-CB 3.36Å; R115-C118 PolarHBondContact O-N 3.17Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.02Å; C118-A120 VanDerWaalsContact C-N 3.3Å; C118-A120 PolarHBondContact O-N 3.07Å; C118-G121 PolarHBondContact O-N 3.41Å; C118-G121 VanDerWaalsContact O-N 3.15Å; C118-V122 WeakPolarHBondContact O-CG2 3.49Å; C118-V122 PolarHBondContact O-N 2.87Å; C118-V184 HydrophobicContact CB-CB 4.35Å; C118-V184 HydrophobicContact CB-CG1 3.96Å; C118-V184 HydrophobicContact CB-CG2 4.36Å
119F92.6Very high90.7Very high148 Ų14851 Ų5165%0.64926%0.261SS*.Hα-helixtrans-58.8-42.5175.4-79.1-65.9000111.9R115 I116 V122 D123R115-F119 WeakPolarHBondContact O-CD2 3.41Å; R115-F119 PolarHBondContact O-N 2.96Å; I116-F119 PolarHBondContact O-N 2.71Å; F119-V122 PolarHBondContact O-N 3.19Å; F119-D123 WeakPolarHBondContact O-CB 3.26Å; F119-D123 PolarHBondContact O-N 2.86Å
120A94Very high91.3Very high0 Ų051.8 Ų51.80%026%0.26CS..Hα-helixtrans-60.7-45.1174.400000112F96 A97 I116 A117 C118 V122 D123 F124F96-A120 HydrophobicContact CB-CB 3.86Å; A97-A120 HydrophobicContact CB-CB 3.93Å; I116-A120 PolarHBondContact O-N 2.89Å; A117-A120 PolarHBondContact O-N 3.37Å; C118-A120 VanDerWaalsContact C-N 3.3Å; C118-A120 PolarHBondContact O-N 3.07Å; A120-V122 PolarHBondContact O-N 3.25Å; A120-D123 PolarHBondContact O-N 3.3Å; A120-F124 WeakPolarHBondContact O-CD2 3.47Å; A120-F124 PolarHBondContact O-N 2.94Å
121G93.9Very high91.9Very high0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-60.6-43.8176.900000113A117 C118 F124 I125A117-G121 PolarHBondContact O-N 3.29Å; C118-G121 PolarHBondContact O-N 3.41Å; C118-G121 VanDerWaalsContact O-N 3.15Å; G121-F124 PolarHBondContact O-N 3.35Å; G121-I125 VanDerWaalsContact O-CG1 3.28Å; G121-I125 WeakPolarHBondContact O-CG1 3.47Å; G121-I125 PolarHBondContact O-N 3.01Å; G121-I125 VanDerWaalsContact O-N 3.07Å
122V95Very high92.5Very high57 Ų5742.1 Ų42.135%0.34522%0.216SC..Hα-helixtrans-65.8-41.3176.91740000111.6C118 F119 A120 I125 L126C118-V122 WeakPolarHBondContact O-CG2 3.49Å; C118-V122 PolarHBondContact O-N 2.87Å; F119-V122 PolarHBondContact O-N 3.19Å; A120-V122 PolarHBondContact O-N 3.25Å; V122-I125 PolarHBondContact O-N 3.2Å; V122-L126 HydrophobicContact CG1-CD1 3.64Å; V122-L126 HydrophobicContact CG1-CG 4.12Å; V122-L126 WeakPolarHBondContact O-CB 3.48Å; V122-L126 WeakPolarHBondContact O-CG 3.32Å; V122-L126 PolarHBondContact O-N 2.98Å
123D95.3Very high92.9Very high29 Ų2939.4 Ų39.416%0.15520%0.201CC..Hα-helixtrans-59.7-46.5175.1-179.175.4000111.4G93 F119 A120 I125 L126 C127 V128G93-D123 WeakPolarHBondContact CA-OD2 3.35Å; F119-D123 WeakPolarHBondContact O-CB 3.26Å; F119-D123 PolarHBondContact O-N 2.86Å; A120-D123 PolarHBondContact O-N 3.3Å; D123-I125 VanDerWaalsContact C-N 3.34Å; D123-I125 PolarHBondContact O-N 2.85Å; D123-L126 PolarHBondContact O-N 3.15Å; D123-C127 WeakPolarHBondContact O-CA 3.35Å; D123-C127 VanDerWaalsContact O-CB 3.26Å; D123-C127 WeakPolarHBondContact O-CB 3.42Å; D123-C127 PolarHBondContact O-N 3.47Å; D123-V128 PolarHBondContact O-N 2.85Å
124F96.1Very high93.3Very high0 Ų040.8 Ų40.80%021%0.214CC..Iπ-helixtrans-61.5-38.3175.1-81.3-64.2000113.4T14 W18 G93 S94 A97 A120 G121 V128 G129T14-F124 HydrophobicContact CG2-CB 4.13Å; T14-F124 HydrophobicContact CG2-CD1 4.34Å; T14-F124 HydrophobicContact CG2-CD2 3.81Å; T14-F124 HydrophobicContact CG2-CE2 4.29Å; T14-F124 HydrophobicContact CG2-CG 3.85Å; W18-F124 HydrophobicContact CB-CE1 4.41Å; G93-F124 VanDerWaalsContact C-CE2 3.46Å; S94-F124 WeakPolarHBondContact OG-CZ 3.4Å; A97-F124 HydrophobicContact CB-CE2 4.28Å; A120-F124 WeakPolarHBondContact O-CD2 3.47Å; A120-F124 PolarHBondContact O-N 2.94Å; G121-F124 PolarHBondContact O-N 3.35Å; F124-V128 HydrophobicContact CD1-CB 4.29Å; F124-V128 HydrophobicContact CD1-CG2 3.88Å; F124-V128 HydrophobicContact CE1-CG2 4.44Å; F124-V128 WeakPolarHBondContact O-CB 3.21Å; F124-G129 PolarHBondContact O-N 3.25Å
125I96.7Very high93.7Very high34 Ų3440.2 Ų40.217%0.17421%0.209CC..Iπ-helixtrans-68.9-55.4178-65.3162000110.4G121 V122 D123 I130G121-I125 VanDerWaalsContact O-CG1 3.28Å; G121-I125 WeakPolarHBondContact O-CG1 3.47Å; G121-I125 PolarHBondContact O-N 3.01Å; G121-I125 VanDerWaalsContact O-N 3.07Å; V122-I125 PolarHBondContact O-N 3.2Å; D123-I125 VanDerWaalsContact C-N 3.34Å; D123-I125 PolarHBondContact O-N 2.85Å; I125-I130 WeakPolarHBondContact O-CG1 2.88Å; I125-I130 PolarHBondContact O-N 3.43Å
126L94.9Very high94Very high91 Ų9133.3 Ų33.348%0.47618%0.183SC..Iπ-helixtrans-79.9-54.4-169.6-62.3-177.9000111.8V122 D123 I130V122-L126 HydrophobicContact CG1-CD1 3.64Å; V122-L126 HydrophobicContact CG1-CG 4.12Å; V122-L126 WeakPolarHBondContact O-CB 3.48Å; V122-L126 WeakPolarHBondContact O-CG 3.32Å; V122-L126 PolarHBondContact O-N 2.98Å; D123-L126 PolarHBondContact O-N 3.15Å; L126-I130 HydrophobicContact CD2-CD1 3.78Å; L126-I130 WeakPolarHBondContact O-CB 3.43Å
127C93.5Very high94.2Very high37 Ų3732.9 Ų32.925%0.2519%0.185CC..Iπ-helixtrans-83.5-33-169.4-65.50000113L89 D123 C131L89-C127 HydrophobicContact CB-CB 4.02Å; L89-C127 HydrophobicContact CD1-CB 3.66Å; L89-C127 HydrophobicContact CG-CB 4.44Å; D123-C127 WeakPolarHBondContact O-CA 3.35Å; D123-C127 VanDerWaalsContact O-CB 3.26Å; D123-C127 WeakPolarHBondContact O-CB 3.42Å; D123-C127 PolarHBondContact O-N 3.47Å; C127-C131 WeakPolarHBondContact O-CB 3.2Å; C127-C131 PolarHBondContact O-SG 2.9Å; C127-C131 VanDerWaalsContact O-SG 3.34Å
128V94.4Very high94.4Very high0 Ų036.2 Ų36.20%020%0.202CC..Iπ-helixtrans-94.4-58.4178.1-1700000110.4E21 G90 D123 F124 S132 C173E21-V128 HydrophobicContact CG-CG1 4.46Å; G90-V128 VanDerWaalsContact CA-CG2 3.41Å; D123-V128 PolarHBondContact O-N 2.85Å; F124-V128 HydrophobicContact CD1-CB 4.29Å; F124-V128 HydrophobicContact CD1-CG2 3.88Å; F124-V128 HydrophobicContact CE1-CG2 4.44Å; F124-V128 WeakPolarHBondContact O-CB 3.21Å; V128-S132 WeakPolarHBondContact O-CB 3.1Å; V128-S132 PolarHBondContact O-N 3.47Å; V128-C173 HydrophobicContact CB-CB 4.49Å; V128-C173 HydrophobicContact CG1-CB 4.28Å
129G94.3Very high94.5Very high0 Ų034.1 Ų34.10%019%0.188CC..Iπ-helixtrans-61.9-61.6-174.400000113.7F124 S132 L133F124-G129 PolarHBondContact O-N 3.25Å; G129-S132 PolarHBondContact O-N 3.16Å; G129-L133 WeakPolarHBondContact O-CB 3.49Å; G129-L133 WeakPolarHBondContact O-CG 3.43Å; G129-L133 PolarHBondContact O-N 3.28Å
130I95.4Very high94.5Very high83 Ų8327.7 Ų27.743%0.42616%0.162SC..Iπ-helixtrans-68.6-38.7-175.9-62.8172.1000111.5I125 L126 S134 I174I125-I130 WeakPolarHBondContact O-CG1 2.88Å; I125-I130 PolarHBondContact O-N 3.43Å; L126-I130 HydrophobicContact CD2-CD1 3.78Å; L126-I130 WeakPolarHBondContact O-CB 3.43Å; I130-S134 VanDerWaalsContact O-CB 3.28Å; I130-S134 WeakPolarHBondContact O-CB 3.49Å; I130-S134 PolarHBondContact O-N 3.44Å; I130-S134 PolarHBondContact O-OG 3.25Å; I130-I174 HydrophobicContact CG1-CD1 4.45Å
131C94Very high94.5Very high33 Ų3333.2 Ų33.222%0.22319%0.187CC..Hα-helixtrans-64-42.6177.3-66.30000112.5L82 A86 C127 S134 A135L82-C131 HydrophobicContact CD2-CB 4.32Å; A86-C131 HydrophobicContact CB-CB 4.29Å; C127-C131 WeakPolarHBondContact O-CB 3.2Å; C127-C131 PolarHBondContact O-SG 2.9Å; C127-C131 VanDerWaalsContact O-SG 3.34Å; C131-S134 WeakPolarHBondContact CA-OG 3.23Å; C131-S134 PolarHBondContact O-OG 2.95Å; C131-A135 WeakPolarHBondContact O-CB 3.4Å; C131-A135 PolarHBondContact O-N 3.34Å
132S94.1Very high94.4Very high0 Ų038.3 Ų38.30%021%0.206CC..Hα-helixtrans-70.3-43.9176.1-178.60000112.5E21 M83 V128 G129 S134 A135 C136E21-S132 WeakPolarHBondContact OE1-CB 3.23Å; E21-S132 PolarHBondContact OE1-OG 3Å; E21-S132 WeakPolarHBondContact OE2-CB 3.39Å; E21-S132 PolarHBondContact OE2-OG 3.28Å; M83-S132 PolarHBondContact SD-OG 3.44Å; V128-S132 WeakPolarHBondContact O-CB 3.1Å; V128-S132 PolarHBondContact O-N 3.47Å; G129-S132 PolarHBondContact O-N 3.16Å; S132-S134 VanDerWaalsContact C-N 3.28Å; S132-S134 PolarHBondContact O-N 3.3Å; S132-A135 PolarHBondContact O-N 3.42Å; S132-A135 VanDerWaalsContact O-N 3.14Å; S132-C136 WeakPolarHBondContact O-CB 3.21Å; S132-C136 PolarHBondContact O-N 2.82Å; S132-C136 PolarHBondContact O-SG 2.82Å; S132-C136 VanDerWaalsContact O-SG 3.38Å
133L95.1Very high94.1Very high35 Ų3535.8 Ų35.818%0.18319%0.191CC..Hα-helixtrans-58.3-43176.9-77.6173.9000111.5G129 S137 W167 I171 I174G129-L133 WeakPolarHBondContact O-CB 3.49Å; G129-L133 WeakPolarHBondContact O-CG 3.43Å; G129-L133 PolarHBondContact O-N 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.26Å; L133-S137 PolarHBondContact O-N 2.86Å; L133-S137 PolarHBondContact O-OG 3.26Å; L133-W167 HydrophobicContact CD2-CB 4.31Å; L133-W167 HydrophobicContact CD2-CG 4.28Å; L133-I171 HydrophobicContact CD2-CG1 4.42Å; L133-I174 HydrophobicContact CD1-CD1 3.45Å; L133-I174 VanDerWaalsContact CD1-CD1 3.45Å
134S94.7Very high93.8Very high51 Ų5137 Ų3736%0.35720%0.2SC..Hα-helixtrans-67.2-40.7176.257.40000112.3I130 C131 S132 S137 L138I130-S134 VanDerWaalsContact O-CB 3.28Å; I130-S134 WeakPolarHBondContact O-CB 3.49Å; I130-S134 PolarHBondContact O-N 3.44Å; I130-S134 PolarHBondContact O-OG 3.25Å; C131-S134 WeakPolarHBondContact CA-OG 3.23Å; C131-S134 PolarHBondContact O-OG 2.95Å; S132-S134 VanDerWaalsContact C-N 3.28Å; S132-S134 PolarHBondContact O-N 3.3Å; S134-S137 PolarHBondContact O-N 3.02Å; S134-L138 WeakPolarHBondContact O-CB 3.32Å; S134-L138 PolarHBondContact O-N 2.83Å
135A94Very high93.5Very high0 Ų039.9 Ų39.90%022%0.217CC..Hα-helixtrans-61.5-48.6175.700000112.1C79 L82 M83 C131 S132 Y139C79-A135 HydrophobicContact CB-CB 4.45Å; C79-A135 PolarHBondContact SG-O 2.9Å; L82-A135 HydrophobicContact CB-CB 3.86Å; L82-A135 HydrophobicContact CD1-CB 4.06Å; M83-A135 HydrophobicContact CG-CB 4Å; M83-A135 HydrophobicContact SD-CB 3.85Å; C131-A135 WeakPolarHBondContact O-CB 3.4Å; C131-A135 PolarHBondContact O-N 3.34Å; S132-A135 PolarHBondContact O-N 3.42Å; S132-A135 VanDerWaalsContact O-N 3.14Å; A135-Y139 WeakPolarHBondContact O-CB 3.41Å; A135-Y139 PolarHBondContact O-N 3.32Å
136C94.4Very high93Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-68-39.6178.9-63.20000111.7S132 Y139 A140 L163 W167S132-C136 WeakPolarHBondContact O-CB 3.21Å; S132-C136 PolarHBondContact O-N 2.82Å; S132-C136 PolarHBondContact O-SG 2.82Å; S132-C136 VanDerWaalsContact O-SG 3.38Å; C136-Y139 PolarHBondContact O-N 3.43Å; C136-A140 VanDerWaalsContact O-CB 3.28Å; C136-A140 WeakPolarHBondContact O-CB 3.41Å; C136-A140 PolarHBondContact O-N 2.59Å; C136-L163 HydrophobicContact CB-CD2 4.11Å; C136-W167 VanDerWaalsContact CB-NE1 3.31Å
137S95.4Very high92.5Very high46 Ų4638.5 Ų38.532%0.32221%0.207SC..Hα-helixtrans-67.9-39.5177.9-61.40000112.1L133 S134 A140 H141 W167L133-S137 WeakPolarHBondContact O-CB 3.26Å; L133-S137 PolarHBondContact O-N 2.86Å; L133-S137 PolarHBondContact O-OG 3.26Å; S134-S137 PolarHBondContact O-N 3.02Å; S137-A140 PolarHBondContact O-N 2.89Å; S137-H141 VanDerWaalsContact O-CB 3.24Å; S137-H141 WeakPolarHBondContact O-CB 3.28Å; S137-H141 PolarHBondContact O-N 3.09Å; S137-W167 VanDerWaalsContact OG-CZ2 3.32Å; S137-W167 WeakPolarHBondContact OG-CZ2 3.35Å
138L94.6Very high92.1Very high73 Ų7344 Ų4438%0.38223%0.227SC..Hα-helixtrans-64-45.6176-170.5152.4000110.2Y75 S134 H141 R142Y75-L138 HydrophobicContact CD2-CD2 4.39Å; Y75-L138 HydrophobicContact CG-CD2 4.47Å; S134-L138 WeakPolarHBondContact O-CB 3.32Å; S134-L138 PolarHBondContact O-N 2.83Å; L138-H141 PolarHBondContact O-N 2.82Å; L138-R142 HydrophobicContact CD2-CG 4.38Å; L138-R142 WeakPolarHBondContact O-CG 3.49Å; L138-R142 PolarHBondContact O-N 3.37Å; L138-R142 VanDerWaalsContact O-N 3.09Å
139Y92.4Very high91.7Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-60.2-47.8175.7-160.8-87000111.7W30 K31 L49 Y75 I76 A135 C136 H141 R142 I143 L163W30-Y139 HydrophobicContact CB-CE1 3.76Å; W30-Y139 AromaticContact CE3-CD1 3.95Å; W30-Y139 HydrophobicContact CE3-CD1 3.95Å; W30-Y139 HydrophobicContact CE3-CD2 4.07Å; W30-Y139 HydrophobicContact CE3-CE1 4.15Å; W30-Y139 HydrophobicContact CE3-CE2 4.3Å; W30-Y139 AromaticContact CE3-CG 3.9Å; W30-Y139 HydrophobicContact CE3-CG 3.9Å; W30-Y139 HydrophobicContact CZ3-CD2 4.43Å; W30-Y139 HydrophobicContact CZ3-CG 4.28Å; K31-Y139 HydrophobicContact CB-CE1 4.21Å; K31-Y139 HydrophobicContact CD-CE1 4.45Å; K31-Y139 HydrophobicContact CG-CE1 4.42Å; L49-Y139 HydrophobicContact CD1-CD2 4.2Å; L49-Y139 HydrophobicContact CD1-CE2 4.04Å; Y75-Y139 HydrophobicContact CD2-CD2 4.14Å; Y75-Y139 AromaticContact CE2-CD2 3.77Å; Y75-Y139 HydrophobicContact CE2-CD2 3.77Å; Y75-Y139 AromaticContact CE2-CE2 3.81Å; Y75-Y139 HydrophobicContact CE2-CE2 3.81Å; I76-Y139 HydrophobicContact CG1-CE2 4.3Å; A135-Y139 WeakPolarHBondContact O-CB 3.41Å; A135-Y139 PolarHBondContact O-N 3.32Å; C136-Y139 PolarHBondContact O-N 3.43Å; Y139-H141 PolarHBondContact O-N 3.44Å; Y139-R142 PolarHBondContact O-N 3.27Å; Y139-I143 HydrophobicContact CD1-CD1 3.6Å; Y139-I143 HydrophobicContact CD1-CG1 4.31Å; Y139-I143 HydrophobicContact CE1-CD1 3.61Å; Y139-I143 HydrophobicContact CE1-CG1 4.3Å; Y139-I143 WeakPolarHBondContact O-CG1 3.43Å; Y139-I143 PolarHBondContact O-N 3.5Å; Y139-L163 HydrophobicContact CD1-CD1 4.13Å; Y139-L163 HydrophobicContact CD1-CD2 3.9Å; Y139-L163 HydrophobicContact CD1-CG 4.49Å; Y139-L163 HydrophobicContact CG-CD2 4.32Å
140A93.4Very high90.9Very high12 Ų1253.3 Ų53.310%0.09928%0.283CS..Hα-helixtrans-60.6-42.417700000112.8C136 S137 R142 I143 T144 L159 L163C136-A140 VanDerWaalsContact O-CB 3.28Å; C136-A140 WeakPolarHBondContact O-CB 3.41Å; C136-A140 PolarHBondContact O-N 2.59Å; S137-A140 PolarHBondContact O-N 2.89Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 2.96Å; A140-I143 PolarHBondContact O-N 3.02Å; A140-T144 WeakPolarHBondContact O-CB 3.39Å; A140-T144 PolarHBondContact O-N 2.98Å; A140-T144 PolarHBondContact O-OG1 2.94Å; A140-L159 HydrophobicContact CB-CD2 3.53Å; A140-L163 HydrophobicContact CB-CD1 4.24Å
141H93.4Very high90.2Very high117 Ų11756.9 Ų56.954%0.54230%0.3SS..Hα-helixtrans-60.6-44.3177.7178.6-82.1000111S137 L138 Y139 T144 T145S137-H141 VanDerWaalsContact O-CB 3.24Å; S137-H141 WeakPolarHBondContact O-CB 3.28Å; S137-H141 PolarHBondContact O-N 3.09Å; L138-H141 PolarHBondContact O-N 2.82Å; Y139-H141 PolarHBondContact O-N 3.44Å; H141-T144 PolarHBondContact O-N 3.37Å; H141-T145 VanDerWaalsContact CE1-CG2 3.44Å; H141-T145 WeakPolarHBondContact CE1-CG2 3.1Å; H141-T145 WeakPolarHBondContact O-CG2 3.32Å; H141-T145 PolarHBondContact O-N 3.47Å; H141-T145 PolarHBondContact O-OG1 3.18Å; H141-T145 VanDerWaalsContact O-OG1 3.07Å
142R90.6Very high89.3Confident106 Ų10658.2 Ų58.240%0.430%0.302SS..Hα-helixtrans-60.7-47.1177.8-64.1-58.7-67.8-171.2-3.7112.2Y75 L138 Y139 A140 T144 T145 E146Y75-R142 HydrophobicContact CD1-CG 4.22Å; Y75-R142 HydrophobicContact CD2-CB 4.34Å; Y75-R142 HydrophobicContact CD2-CG 3.95Å; Y75-R142 HydrophobicContact CE2-CB 4.24Å; Y75-R142 HydrophobicContact CE2-CG 4.36Å; Y75-R142 HydrophobicContact CG-CG 3.9Å; L138-R142 HydrophobicContact CD2-CG 4.38Å; L138-R142 WeakPolarHBondContact O-CG 3.49Å; L138-R142 PolarHBondContact O-N 3.37Å; L138-R142 VanDerWaalsContact O-N 3.09Å; Y139-R142 PolarHBondContact O-N 3.27Å; A140-R142 VanDerWaalsContact C-N 3.35Å; A140-R142 PolarHBondContact O-N 2.96Å; R142-T144 VanDerWaalsContact C-N 3.3Å; R142-T144 PolarHBondContact O-N 3.3Å; R142-T145 WeakPolarHBondContact CA-OG1 3.49Å; R142-T145 PolarHBondContact O-N 2.82Å; R142-T145 PolarHBondContact O-OG1 3.28Å; R142-E146 WeakPolarHBondContact O-CG 3.35Å; R142-E146 PolarHBondContact O-N 3.03Å
143I89.2Confident88Confident5 Ų567.3 Ų67.33%0.02635%0.347CS..Hα-helixtrans-57.5-47.3175.8-63.3165.7000110.5K31 Y139 A140 T145 E146 F147 Y157 L159 L163K31-I143 HydrophobicContact CB-CD1 3.8Å; K31-I143 HydrophobicContact CB-CG1 4.4Å; Y139-I143 HydrophobicContact CD1-CD1 3.6Å; Y139-I143 HydrophobicContact CD1-CG1 4.31Å; Y139-I143 HydrophobicContact CE1-CD1 3.61Å; Y139-I143 HydrophobicContact CE1-CG1 4.3Å; Y139-I143 WeakPolarHBondContact O-CG1 3.43Å; Y139-I143 PolarHBondContact O-N 3.5Å; A140-I143 PolarHBondContact O-N 3.02Å; I143-T145 PolarHBondContact O-N 2.98Å; I143-E146 PolarHBondContact O-N 3.34Å; I143-F147 WeakPolarHBondContact O-CB 3.13Å; I143-F147 PolarHBondContact O-N 3.35Å; I143-Y157 WeakPolarHBondContact CG2-O 3.46Å; I143-L159 HydrophobicContact CD1-CD2 4.32Å; I143-L163 HydrophobicContact CD1-CD1 4.04Å
144T89.6Confident86.9Confident55 Ų5569.4 Ų69.434%0.33736%0.364SS..Hα-helixtrans-64.8-43-176.4-530000110.9A140 H141 R142 E146 F147 F148A140-T144 WeakPolarHBondContact O-CB 3.39Å; A140-T144 PolarHBondContact O-N 2.98Å; A140-T144 PolarHBondContact O-OG1 2.94Å; H141-T144 PolarHBondContact O-N 3.37Å; R142-T144 VanDerWaalsContact C-N 3.3Å; R142-T144 PolarHBondContact O-N 3.3Å; T144-E146 VanDerWaalsContact C-N 3.33Å; T144-E146 PolarHBondContact O-N 2.95Å; T144-F147 PolarHBondContact O-N 3.46Å; T144-F148 HydrophobicContact CG2-CD2 3.74Å; T144-F148 HydrophobicContact CG2-CE2 3.66Å; T144-F148 WeakPolarHBondContact O-CD2 3.5Å; T144-F148 PolarHBondContact O-N 2.89Å
145T89.1Confident85.8Confident60 Ų6069.6 Ų69.637%0.36836%0.36SS..Hα-helixtrans-63.6-38.8176.650.30000112.5H141 R142 I143 D149H141-T145 VanDerWaalsContact CE1-CG2 3.44Å; H141-T145 WeakPolarHBondContact CE1-CG2 3.1Å; H141-T145 WeakPolarHBondContact O-CG2 3.32Å; H141-T145 PolarHBondContact O-N 3.47Å; H141-T145 PolarHBondContact O-OG1 3.18Å; H141-T145 VanDerWaalsContact O-OG1 3.07Å; R142-T145 WeakPolarHBondContact CA-OG1 3.49Å; R142-T145 PolarHBondContact O-N 2.82Å; R142-T145 PolarHBondContact O-OG1 3.28Å; I143-T145 PolarHBondContact O-N 2.98Å; T145-D149 WeakPolarHBondContact O-CB 3.21Å; T145-D149 PolarHBondContact O-N 2.95Å
146E86.4Confident85.3Confident36 Ų3673.6 Ų73.617%0.16838%0.377CS..Hα-helixtrans-69.9-33.7176.9-71.9171.3-165.300111.8R142 I143 T144 F152R142-E146 WeakPolarHBondContact O-CG 3.35Å; R142-E146 PolarHBondContact O-N 3.03Å; I143-E146 PolarHBondContact O-N 3.34Å; T144-E146 VanDerWaalsContact C-N 3.33Å; T144-E146 PolarHBondContact O-N 2.95Å; E146-F152 HydrophobicContact CB-CD1 4.5Å; E146-F152 HydrophobicContact CB-CE1 4.23Å; E146-F152 HydrophobicContact CB-CE2 4.38Å; E146-F152 HydrophobicContact CB-CZ 4.17Å; E146-F152 HydrophobicContact CG-CE2 4.15Å; E146-F152 HydrophobicContact CG-CZ 4.23Å
147F85.3Confident84.9Confident59 Ų5975.3 Ų75.326%0.25938%0.384SS..Hα-helixtrans-67.2-38.7179.4-170.1-87.8000113.1I143 T144 K156 Y157I143-F147 WeakPolarHBondContact O-CB 3.13Å; I143-F147 PolarHBondContact O-N 3.35Å; T144-F147 PolarHBondContact O-N 3.46Å; F147-K156 HydrophobicContact CD2-CB 3.8Å; F147-K156 HydrophobicContact CD2-CD 3.99Å; F147-K156 HydrophobicContact CD2-CG 4.37Å; F147-K156 HydrophobicContact CE2-CB 3.95Å; F147-K156 HydrophobicContact CE2-CD 3.99Å; F147-K156 HydrophobicContact CG-CD 4.4Å; F147-K156 HydrophobicContact CZ-CD 4.41Å; F147-K156 PolarHBondContact O-NZ 3.48Å; F147-Y157 WeakPolarHBondContact CD2-O 3.07Å
148F84.8Confident84.6Confident153 Ų15377.6 Ų77.667%0.67139%0.39SS*.Hα-helixtrans-93.8-7.6-176-71.2-67.4000114.7T144 P150T144-F148 HydrophobicContact CG2-CD2 3.74Å; T144-F148 HydrophobicContact CG2-CE2 3.66Å; T144-F148 WeakPolarHBondContact O-CD2 3.5Å; T144-F148 PolarHBondContact O-N 2.89Å; F148-P150 VanDerWaalsContact O-CD 3.29Å; F148-P150 WeakPolarHBondContact O-CD 3.28Å
149D84.8Confident84.5Confident71 Ų7177.8 Ų77.838%0.3839%0.39SS..  trans-72.5115.8177.5-176.2-2.4000110.7T145 M151 F152T145-D149 WeakPolarHBondContact O-CB 3.21Å; T145-D149 PolarHBondContact O-N 2.95Å; D149-M151 PolarHBondContact O-N 2.95Å; D149-M151 WeakPolarHBondContact OD1-CB 3.28Å; D149-M151 PolarHBondContact OD1-N 2.98Å; D149-F152 HydrophobicContact CB-CB 4Å; D149-F152 WeakPolarHBondContact O-CB 3.28Å; D149-F152 PolarHBondContact O-N 3.45Å; D149-F152 VanDerWaalsContact O-N 3.16Å
150P78.6Confident84.4Confident124 Ų12477.9 Ų77.981%0.80539%0.391SS*.THydrogen-bonded Turntrans-67.6-18179.629.1-35.9000113.4F148 F152F148-P150 VanDerWaalsContact O-CD 3.29Å; F148-P150 WeakPolarHBondContact O-CD 3.28Å; P150-F152 VanDerWaalsContact C-N 3.34Å
151M80.1Confident84.4Confident158 Ų15879.6 Ų79.678%0.77841%0.406SS*.THydrogen-bonded Turntrans-86.6-7.2177-63.1-63.9-68.800112.6D149 M153D149-M151 PolarHBondContact O-N 2.95Å; D149-M151 WeakPolarHBondContact OD1-CB 3.28Å; D149-M151 PolarHBondContact OD1-N 2.98Å; M151-M153 PolarHBondContact O-N 3.37Å; M151-M153 VanDerWaalsContact O-N 3.16Å
152F74.7Confident84.4Confident61 Ų6174 Ų7427%0.26838%0.38SS..  trans-82.194.7-178.9-162.6-102.5000110.7E146 D149 P150 S154E146-F152 HydrophobicContact CB-CD1 4.5Å; E146-F152 HydrophobicContact CB-CE1 4.23Å; E146-F152 HydrophobicContact CB-CE2 4.38Å; E146-F152 HydrophobicContact CB-CZ 4.17Å; E146-F152 HydrophobicContact CG-CE2 4.15Å; E146-F152 HydrophobicContact CG-CZ 4.23Å; D149-F152 HydrophobicContact CB-CB 4Å; D149-F152 WeakPolarHBondContact O-CB 3.28Å; D149-F152 PolarHBondContact O-N 3.45Å; D149-F152 VanDerWaalsContact O-N 3.16Å; P150-F152 VanDerWaalsContact C-N 3.34Å; F152-S154 VanDerWaalsContact C-N 3.27Å; F152-S154 PolarHBondContact O-N 3.48Å
153M66.8Low84.6Confident192 Ų19269.1 Ų69.195%0.94636%0.362SS*.  trans-824.5177.9-76.2-165.8-8000114.4M151M151-M153 PolarHBondContact O-N 3.37Å; M151-M153 VanDerWaalsContact O-N 3.16Å
154S71.9Confident84.8Confident78 Ų7875.2 Ų75.255%0.54539%0.388SS..SBendtrans-90.8172.5-179.2-161.40000112.3F152 K156F152-S154 VanDerWaalsContact C-N 3.27Å; F152-S154 PolarHBondContact O-N 3.48Å; S154-K156 PolarHBondContact O-N 2.88Å
155Q73.3Confident85.1Confident56 Ų5674.9 Ų74.926%0.26238%0.384SS..PPolyproline II helixtrans-55.2125.3178.1-169.784.6-9.300110.5F45 Y157F45-Q155 HydrophobicContact CD2-CG 4.47Å; Q155-Y157 HydrophobicContact CB-CE2 4.43Å; Q155-Y157 WeakPolarHBondContact O-CD2 3Å; Q155-Y157 WeakPolarHBondContact O-CE2 3.41Å
156K82.5Confident85.4Confident84 Ų8472 Ų7237%0.36537%0.366SS..PPolyproline II helixtrans-78.5143.8176.5-64.5-165.9179.8-161.80111.2S33 S34 F147 S154S33-K156 WeakPolarHBondContact CA-O 3.22Å; S34-K156 PolarHBondContact N-O 2.97Å; F147-K156 HydrophobicContact CD2-CB 3.8Å; F147-K156 HydrophobicContact CD2-CD 3.99Å; F147-K156 HydrophobicContact CD2-CG 4.37Å; F147-K156 HydrophobicContact CE2-CB 3.95Å; F147-K156 HydrophobicContact CE2-CD 3.99Å; F147-K156 HydrophobicContact CG-CD 4.4Å; F147-K156 HydrophobicContact CZ-CD 4.41Å; F147-K156 PolarHBondContact O-NZ 3.48Å; S154-K156 PolarHBondContact O-N 2.88Å
157Y85.6Confident85.9Confident35 Ų3575.6 Ų75.614%0.13738%0.378CS..EExtended strand (participates in β ladder)trans-118.6146.2178.6-67.9-87.9000111.6K31 V32 F45 I143 F147 Q155K31-Y157 HydrophobicContact CB-CD1 4.24Å; K31-Y157 HydrophobicContact CD-CD1 3.94Å; K31-Y157 HydrophobicContact CD-CE1 4.35Å; K31-Y157 HydrophobicContact CD-CG 4.03Å; K31-Y157 HydrophobicContact CG-CD1 3.98Å; K31-Y157 HydrophobicContact CG-CE1 4.48Å; K31-Y157 HydrophobicContact CG-CG 4.46Å; V32-Y157 CarbonylContact O-C 3.45Å; V32-Y157 WeakPolarHBondContact O-CA 3.43Å; F45-Y157 HydrophobicContact CB-CE1 4.26Å; I143-Y157 WeakPolarHBondContact CG2-O 3.46Å; F147-Y157 WeakPolarHBondContact CD2-O 3.07Å; Q155-Y157 HydrophobicContact CB-CE2 4.43Å; Q155-Y157 WeakPolarHBondContact O-CD2 3Å; Q155-Y157 WeakPolarHBondContact O-CE2 3.41Å
158E90.3Very high86.4Confident95 Ų9574.9 Ų74.944%0.44438%0.383SS..EExtended strand (participates in β ladder)trans-103.1160.7171.4-67.6175.5-163.100110.8K31 V32 S34 G160K31-E158 WeakPolarHBondContact CA-O 3.34Å; V32-E158 PolarHBondContact N-O 2.95Å; V32-E158 VanDerWaalsContact N-O 3.17Å; V32-E158 PolarHBondContact O-N 2.95Å; S34-E158 WeakPolarHBondContact CB-OE1 3.39Å; S34-E158 PolarHBondContact OG-OE1 3.16Å; E158-G160 PolarHBondContact O-N 3.35Å
159L90.9Very high86.9Confident76 Ų7667.6 Ų67.640%0.39835%0.351SS..EExtended strand (participates in β ladder)trans-67.3120.4178-67.2156.6000109.9A140 I143 L163 F164A140-L159 HydrophobicContact CB-CD2 3.53Å; I143-L159 HydrophobicContact CD1-CD2 4.32Å; L159-L163 HydrophobicContact CB-CD1 4.3Å; L159-L163 HydrophobicContact CD2-CD1 3.48Å; L159-L163 VanDerWaalsContact CD2-CD1 3.48Å; L159-F164 HydrophobicContact CB-CE2 4.26Å; L159-F164 HydrophobicContact CB-CZ 4.31Å
160G91.8Very high87.4Confident2 Ų264.2 Ų64.22%0.02133%0.333CS..PPolyproline II helixtrans-77.9159.4178.300000113.4F29 W30 E158 A162 L163 F164F29-G160 CarbonylContact O-C 3.57Å; F29-G160 VanDerWaalsContact O-CA 3.23Å; F29-G160 WeakPolarHBondContact O-CA 3.36Å; W30-G160 WeakPolarHBondContact O-CA 3.18Å; W30-G160 PolarHBondContact O-N 3Å; E158-G160 PolarHBondContact O-N 3.35Å; G160-A162 PolarHBondContact O-N 3.14Å; G160-A162 VanDerWaalsContact O-N 3.16Å; G160-L163 PolarHBondContact O-N 3.38Å; G160-L163 VanDerWaalsContact O-N 3.16Å; G160-F164 WeakPolarHBondContact O-CD2 3.47Å
161A92.8Very high88.3Confident48 Ų4862.3 Ų62.340%0.39732%0.315SS..Hα-helixtrans-55.5-32.1179.400000113.7M27 F29 L163 F164 I165M27-A161 HydrophobicContact CE-CB 4.19Å; F29-A161 PolarHBondContact O-N 2.9Å; A161-L163 VanDerWaalsContact C-N 3.26Å; A161-L163 PolarHBondContact O-N 2.85Å; A161-F164 PolarHBondContact O-N 2.92Å; A161-I165 WeakPolarHBondContact O-CG1 3.36Å; A161-I165 PolarHBondContact O-N 2.65Å
162A93.6Very high89.1Confident0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-59.6-36.8-179.500000112.3T24 M27 F29 W30 G160 F164 I165 G166T24-A162 HydrophobicContact CG2-CB 4.31Å; T24-A162 WeakPolarHBondContact CG2-O 3.48Å; M27-A162 HydrophobicContact CB-CB 3.81Å; M27-A162 HydrophobicContact CG-CB 3.94Å; F29-A162 WeakPolarHBondContact O-CB 3.33Å; F29-A162 PolarHBondContact O-N 2.97Å; W30-A162 VanDerWaalsContact CD1-CB 3.44Å; W30-A162 HydrophobicContact CD2-CB 4.28Å; W30-A162 HydrophobicContact CG-CB 3.88Å; G160-A162 PolarHBondContact O-N 3.14Å; G160-A162 VanDerWaalsContact O-N 3.16Å; A162-F164 VanDerWaalsContact C-N 3.35Å; A162-F164 PolarHBondContact O-N 3.34Å; A162-I165 PolarHBondContact O-N 2.66Å; A162-G166 PolarHBondContact O-N 3.32Å
163L93.8Very high90.1Very high4 Ų454.1 Ų54.12%0.02128%0.278CS..Hα-helixtrans-63.8-41.6-179.4-65.8172.5000111.3W30 C136 Y139 A140 I143 L159 G160 A161 I165 G166 W167W30-L163 HydrophobicContact CD2-CD2 4.49Å; W30-L163 HydrophobicContact CE3-CD2 3.64Å; W30-L163 HydrophobicContact CZ3-CD2 3.9Å; W30-L163 WeakPolarHBondContact O-CD1 3.47Å; C136-L163 HydrophobicContact CB-CD2 4.11Å; Y139-L163 HydrophobicContact CD1-CD1 4.13Å; Y139-L163 HydrophobicContact CD1-CD2 3.9Å; Y139-L163 HydrophobicContact CD1-CG 4.49Å; Y139-L163 HydrophobicContact CG-CD2 4.32Å; A140-L163 HydrophobicContact CB-CD1 4.24Å; I143-L163 HydrophobicContact CD1-CD1 4.04Å; L159-L163 HydrophobicContact CB-CD1 4.3Å; L159-L163 HydrophobicContact CD2-CD1 3.48Å; L159-L163 VanDerWaalsContact CD2-CD1 3.48Å; G160-L163 PolarHBondContact O-N 3.38Å; G160-L163 VanDerWaalsContact O-N 3.16Å; A161-L163 VanDerWaalsContact C-N 3.26Å; A161-L163 PolarHBondContact O-N 2.85Å; L163-I165 VanDerWaalsContact C-N 3.34Å; L163-I165 PolarHBondContact O-N 3.46Å; L163-G166 PolarHBondContact O-N 3.48Å; L163-W167 PolarHBondContact O-N 2.97Å
164F94.8Very high91.5Very high132 Ų13247.1 Ų47.158%0.57924%0.243SC*.Hα-helixtrans-65.3-38.7177.5-60.7-78.1000112.2L159 G160 A161 A162 W167 A168L159-F164 HydrophobicContact CB-CE2 4.26Å; L159-F164 HydrophobicContact CB-CZ 4.31Å; G160-F164 WeakPolarHBondContact O-CD2 3.47Å; A161-F164 PolarHBondContact O-N 2.92Å; A162-F164 VanDerWaalsContact C-N 3.35Å; A162-F164 PolarHBondContact O-N 3.34Å; F164-W167 PolarHBondContact O-N 2.88Å; F164-A168 WeakPolarHBondContact O-CB 3.34Å; F164-A168 PolarHBondContact O-N 2.77Å
165I95.3Very high92.7Very high49 Ų4948 Ų4825%0.25124%0.241SC..Hα-helixtrans-67.5-41.6176.9-60.1168.3000110.5L20 T24 M27 A161 A162 L163 A168 G169L20-I165 HydrophobicContact CB-CG2 4.29Å; L20-I165 HydrophobicContact CD2-CG2 4.12Å; T24-I165 WeakPolarHBondContact OG1-CG2 3.38Å; M27-I165 HydrophobicContact CE-CD1 3.56Å; M27-I165 HydrophobicContact SD-CD1 3.59Å; M27-I165 VanDerWaalsContact SD-CD1 3.59Å; A161-I165 WeakPolarHBondContact O-CG1 3.36Å; A161-I165 PolarHBondContact O-N 2.65Å; A162-I165 PolarHBondContact O-N 2.66Å; L163-I165 VanDerWaalsContact C-N 3.34Å; L163-I165 PolarHBondContact O-N 3.46Å; I165-A168 PolarHBondContact O-N 2.85Å; I165-G169 PolarHBondContact O-N 2.04Å
166G95.1Very high93.7Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-60.1-44.6173.600000112.2T24 A162 L163 A168 G169 G170T24-G166 WeakPolarHBondContact OG1-CA 3.24Å; T24-G166 PolarHBondContact OG1-N 3.02Å; T24-G166 VanDerWaalsContact OG1-N 3.15Å; A162-G166 PolarHBondContact O-N 3.32Å; L163-G166 PolarHBondContact O-N 3.48Å; G166-A168 PolarHBondContact O-N 3.46Å; G166-G169 PolarHBondContact O-N 2.96Å; G166-G170 PolarHBondContact O-N 2.9Å
167W96.6Very high94.2Very high110 Ų11041.3 Ų41.342%0.41721%0.211SC..Hα-helixtrans-63.1-43.1176.5-75.243.4000112.1L133 C136 S137 L163 F164 G170 I171L133-W167 HydrophobicContact CD2-CB 4.31Å; L133-W167 HydrophobicContact CD2-CG 4.28Å; C136-W167 VanDerWaalsContact CB-NE1 3.31Å; S137-W167 VanDerWaalsContact OG-CZ2 3.32Å; S137-W167 WeakPolarHBondContact OG-CZ2 3.35Å; L163-W167 PolarHBondContact O-N 2.97Å; F164-W167 PolarHBondContact O-N 2.88Å; W167-G170 PolarHBondContact O-N 2.84Å; W167-I171 WeakPolarHBondContact O-CD1 3.47Å; W167-I171 VanDerWaalsContact O-CG1 3.25Å; W167-I171 WeakPolarHBondContact O-CG1 3.35Å; W167-I171 PolarHBondContact O-N 2.82Å
168A96.4Very high94.6Very high44 Ų4441.2 Ų41.236%0.36422%0.216SC..Hα-helixtrans-62.2-44.6175.900000111.9F164 I165 G166 I171 L172F164-A168 WeakPolarHBondContact O-CB 3.34Å; F164-A168 PolarHBondContact O-N 2.77Å; I165-A168 PolarHBondContact O-N 2.85Å; G166-A168 PolarHBondContact O-N 3.46Å; A168-I171 PolarHBondContact O-N 2.81Å; A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 WeakPolarHBondContact O-CG 3.19Å; A168-L172 PolarHBondContact O-N 2.99Å
169G95.8Very high94.7Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-59.4-46.5175.800000112.4I165 G166 L172 C173I165-G169 PolarHBondContact O-N 2.04Å; G166-G169 PolarHBondContact O-N 2.96Å; G169-L172 PolarHBondContact O-N 3.02Å; G169-C173 PolarHBondContact O-N 3.41Å; G169-C173 PolarHBondContact O-SG 2.74Å; G169-C173 VanDerWaalsContact O-SG 3.37Å
170G95.7Very high94.6Very high0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-64.7-42.9-179.800000112.4E21 G166 W167 C173 I174E21-G170 VanDerWaalsContact OE1-CA 3.23Å; E21-G170 WeakPolarHBondContact OE1-CA 3.15Å; E21-G170 PolarHBondContact OE1-N 2.82Å; G166-G170 PolarHBondContact O-N 2.9Å; W167-G170 PolarHBondContact O-N 2.84Å; G170-C173 PolarHBondContact O-N 2.67Å; G170-I174 WeakPolarHBondContact O-CG1 3.41Å; G170-I174 PolarHBondContact O-N 2.94Å
171I97Very high94.5Very high84 Ų8436 Ų3643%0.43119%0.194SC..Hα-helixtrans-63-43.7175.4-68.4165.8000110.8L133 W167 A168 C173 I174 L175L133-I171 HydrophobicContact CD2-CG1 4.42Å; W167-I171 WeakPolarHBondContact O-CD1 3.47Å; W167-I171 VanDerWaalsContact O-CG1 3.25Å; W167-I171 WeakPolarHBondContact O-CG1 3.35Å; W167-I171 PolarHBondContact O-N 2.82Å; A168-I171 PolarHBondContact O-N 2.81Å; I171-C173 VanDerWaalsContact C-N 3.34Å; I171-C173 PolarHBondContact O-N 2.7Å; I171-I174 PolarHBondContact O-N 3.08Å; I171-L175 HydrophobicContact CG2-CD1 3.86Å; I171-L175 HydrophobicContact CG2-CG 4.27Å; I171-L175 WeakPolarHBondContact O-CB 3.4Å; I171-L175 WeakPolarHBondContact O-CG 3.44Å; I171-L175 PolarHBondContact O-N 3.11Å
172L96.1Very high94.3Very high48 Ų4841 Ų4125%0.25121%0.207SC..Hα-helixtrans-61.7-41.6177.2-77.2167.3000112L13 L20 A168 G169 L175 G176L13-L172 HydrophobicContact CD2-CD2 3.88Å; L20-L172 HydrophobicContact CD1-CD1 3.54Å; A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 WeakPolarHBondContact O-CG 3.19Å; A168-L172 PolarHBondContact O-N 2.99Å; G169-L172 PolarHBondContact O-N 3.02Å; L172-L175 PolarHBondContact O-N 2.74Å; L172-G176 PolarHBondContact O-N 2.73Å
173C96.1Very high93.9Very high0 Ų041.4 Ų41.40%021%0.21CC..Hα-helixtrans-61.3-43.2174.3-73.10000112.3W18 V128 G169 G170 I171 G177W18-C173 PolarHBondContact N-SG 3.46Å; V128-C173 HydrophobicContact CB-CB 4.49Å; V128-C173 HydrophobicContact CG1-CB 4.28Å; G169-C173 PolarHBondContact O-N 3.41Å; G169-C173 PolarHBondContact O-SG 2.74Å; G169-C173 VanDerWaalsContact O-SG 3.37Å; G170-C173 PolarHBondContact O-N 2.67Å; I171-C173 VanDerWaalsContact C-N 3.34Å; I171-C173 PolarHBondContact O-N 2.7Å; C173-G177 PolarHBondContact O-N 3.3Å
174I96.7Very high93.3Very high45 Ų4541.5 Ų41.523%0.23121%0.211CC..Hα-helixtrans-65.7-45.6178.2-68.4171.7000111.2I130 L133 G170 I171 S178I130-I174 HydrophobicContact CG1-CD1 4.45Å; L133-I174 HydrophobicContact CD1-CD1 3.45Å; L133-I174 VanDerWaalsContact CD1-CD1 3.45Å; G170-I174 WeakPolarHBondContact O-CG1 3.41Å; G170-I174 PolarHBondContact O-N 2.94Å; I171-I174 PolarHBondContact O-N 3.08Å; I174-S178 VanDerWaalsContact O-CB 3.29Å; I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 3.01Å; I174-S178 PolarHBondContact O-OG 2.81Å
175L95.9Very high92.5Very high95 Ų9537.8 Ų37.850%0.49720%0.204SC..Hα-helixtrans-63.4-48.6178.5-70.5175000110.9I171 L172 S178 V179I171-L175 HydrophobicContact CG2-CD1 3.86Å; I171-L175 HydrophobicContact CG2-CG 4.27Å; I171-L175 WeakPolarHBondContact O-CB 3.4Å; I171-L175 WeakPolarHBondContact O-CG 3.44Å; I171-L175 PolarHBondContact O-N 3.11Å; L172-L175 PolarHBondContact O-N 2.74Å; L175-S178 PolarHBondContact O-N 3.33Å; L175-V179 WeakPolarHBondContact O-CG2 3.34Å; L175-V179 PolarHBondContact O-N 3.11Å
176G94.3Very high91.6Very high0 Ų039.3 Ų39.30%021%0.213CC..Hα-helixtrans-60.8-45.8177.500000112.5L172 S178 V179 F180L172-G176 PolarHBondContact O-N 2.73Å; G176-S178 VanDerWaalsContact C-N 3.32Å; G176-S178 PolarHBondContact O-N 2.99Å; G176-V179 PolarHBondContact O-N 2.97Å; G176-F180 WeakPolarHBondContact O-CD2 3.47Å; G176-F180 PolarHBondContact O-N 3.28Å
177G94.4Very high90.5Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-63.7-36.7176.800000112.7C173 F180 C181C173-G177 PolarHBondContact O-N 3.3Å; G177-F180 WeakPolarHBondContact O-CB 3.22Å; G177-F180 PolarHBondContact O-N 2.99Å; G177-C181 PolarHBondContact O-N 3.41Å; G177-C181 PolarHBondContact O-SG 2.92Å; G177-C181 VanDerWaalsContact O-SG 3.37Å
178S93.7Very high89.2Confident34 Ų3439.1 Ų39.124%0.23822%0.219CC..Hα-helixtrans-64.2-43.8175.4-61.20000111.4I174 L175 G176 F180 C181 F182I174-S178 VanDerWaalsContact O-CB 3.29Å; I174-S178 WeakPolarHBondContact O-CB 3.46Å; I174-S178 PolarHBondContact O-N 3.01Å; I174-S178 PolarHBondContact O-OG 2.81Å; L175-S178 PolarHBondContact O-N 3.33Å; G176-S178 VanDerWaalsContact C-N 3.32Å; G176-S178 PolarHBondContact O-N 2.99Å; S178-F180 VanDerWaalsContact C-N 3.31Å; S178-F180 PolarHBondContact O-N 3.46Å; S178-C181 PolarHBondContact O-N 3.47Å; S178-F182 WeakPolarHBondContact O-CD2 3.42Å; S178-F182 PolarHBondContact O-N 3.39Å
179V92.4Very high88Confident33 Ų3340.9 Ų40.920%0.223%0.228CC..Hα-helixtrans-62.3-38.7175.9179.10000111.1Q6 M9 A10 L175 G176 F182 S183Q6-V179 HydrophobicContact CB-CG1 4.3Å; M9-V179 HydrophobicContact CE-CG1 4.06Å; M9-V179 HydrophobicContact CE-CG2 4.18Å; A10-V179 HydrophobicContact CB-CB 3.91Å; A10-V179 HydrophobicContact CB-CG1 3.81Å; L175-V179 WeakPolarHBondContact O-CG2 3.34Å; L175-V179 PolarHBondContact O-N 3.11Å; G176-V179 PolarHBondContact O-N 2.97Å; V179-F182 PolarHBondContact O-N 3.48Å; V179-S183 WeakPolarHBondContact O-CB 3.36Å; V179-S183 PolarHBondContact O-N 2.87Å
180F89.6Confident86.6Confident2 Ų248.3 Ų48.31%0.00926%0.257CS..Hα-helixtrans-58.4-49.4172.1-88-57.8000112.2A10 F11 T14 A97 M101 G176 G177 S178 F182 S183 V184A10-F180 HydrophobicContact CB-CB 4.47Å; A10-F180 HydrophobicContact CB-CD1 3.86Å; A10-F180 HydrophobicContact CB-CD2 3.63Å; A10-F180 HydrophobicContact CB-CE1 3.94Å; A10-F180 HydrophobicContact CB-CE2 3.72Å; A10-F180 HydrophobicContact CB-CG 3.7Å; A10-F180 HydrophobicContact CB-CZ 3.89Å; F11-F180 VanDerWaalsContact CA-CZ 3.48Å; F11-F180 HydrophobicContact CB-CE2 4.44Å; F11-F180 HydrophobicContact CB-CZ 3.73Å; F11-F180 HydrophobicContact CD2-CZ 4.28Å; F11-F180 VanDerWaalsContact N-CZ 3.34Å; T14-F180 HydrophobicContact CG2-CD2 3.93Å; T14-F180 HydrophobicContact CG2-CE2 3.89Å; A97-F180 HydrophobicContact CB-CE2 4.26Å; A97-F180 HydrophobicContact CB-CZ 3.96Å; M101-F180 HydrophobicContact CG-CE1 4.34Å; G176-F180 WeakPolarHBondContact O-CD2 3.47Å; G176-F180 PolarHBondContact O-N 3.28Å; G177-F180 WeakPolarHBondContact O-CB 3.22Å; G177-F180 PolarHBondContact O-N 2.99Å; S178-F180 VanDerWaalsContact C-N 3.31Å; S178-F180 PolarHBondContact O-N 3.46Å; F180-F182 PolarHBondContact O-N 2.89Å; F180-S183 PolarHBondContact O-N 2.72Å; F180-V184 WeakPolarHBondContact O-CG2 3.48Å; F180-V184 PolarHBondContact O-N 3.17Å; F180-V184 VanDerWaalsContact O-N 3.16Å
181C89.4Confident85.1Confident28 Ų2851.5 Ų51.519%0.18928%0.279CS..Hα-helixtrans-61.1-43.6178.8-69.20000112.4G177 S178 V184 A185G177-C181 PolarHBondContact O-N 3.41Å; G177-C181 PolarHBondContact O-SG 2.92Å; G177-C181 VanDerWaalsContact O-SG 3.37Å; S178-C181 PolarHBondContact O-N 3.47Å; C181-V184 PolarHBondContact O-N 3.22Å; C181-A185 WeakPolarHBondContact O-CB 3.41Å; C181-A185 PolarHBondContact O-N 3.38Å
182F88Confident83.4Confident154 Ų15453.5 Ų53.568%0.67529%0.286SS*.Hα-helixtrans-68.5-40.1179.4-71.8-56.6000113.1S178 V179 F180 V184 A185 D186S178-F182 WeakPolarHBondContact O-CD2 3.42Å; S178-F182 PolarHBondContact O-N 3.39Å; V179-F182 PolarHBondContact O-N 3.48Å; F180-F182 PolarHBondContact O-N 2.89Å; F182-V184 PolarHBondContact O-N 3.06Å; F182-A185 PolarHBondContact O-N 3.4Å; F182-D186 PolarHBondContact O-N 3.49Å
183S85.4Confident81.9Confident8 Ų854.8 Ų54.86%0.05630%0.299CS..Hα-helixtrans-59.6-39.1175.4-176.50000111.4V179 F180 S187V179-S183 WeakPolarHBondContact O-CB 3.36Å; V179-S183 PolarHBondContact O-N 2.87Å; F180-S183 PolarHBondContact O-N 2.72Å; S183-S187 PolarHBondContact O-N 3.35Å
184V80.3Confident80.3Confident6 Ų660 Ų604%0.03632%0.323CS..Hα-helixtrans-70.9-43.3176.21730000111.8A114 A117 C118 F180 C181 F182 D186 S187 F188A114-V184 HydrophobicContact CB-CG1 4.1Å; A114-V184 WeakPolarHBondContact O-CG1 3.02Å; A114-V184 WeakPolarHBondContact O-CG2 3.24Å; A117-V184 HydrophobicContact CB-CG2 3.95Å; C118-V184 HydrophobicContact CB-CB 4.35Å; C118-V184 HydrophobicContact CB-CG1 3.96Å; C118-V184 HydrophobicContact CB-CG2 4.36Å; F180-V184 WeakPolarHBondContact O-CG2 3.48Å; F180-V184 PolarHBondContact O-N 3.17Å; F180-V184 VanDerWaalsContact O-N 3.16Å; C181-V184 PolarHBondContact O-N 3.22Å; F182-V184 PolarHBondContact O-N 3.06Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.22Å; V184-S187 PolarHBondContact O-N 2.82Å; V184-S187 VanDerWaalsContact O-N 3.11Å; V184-S187 PolarHBondContact O-OG 3.47Å; V184-F188 HydrophobicContact CG1-CD2 3.49Å; V184-F188 VanDerWaalsContact CG1-CD2 3.49Å; V184-F188 HydrophobicContact CG1-CE2 3.31Å; V184-F188 WeakPolarHBondContact O-CD2 3.13Å; V184-F188 PolarHBondContact O-N 3.08Å
185A78.8Confident78.7Confident54 Ų5460.2 Ų60.245%0.44633%0.332SS..Hα-helixtrans-59.6-41.6178.300000112.6C181 F182 S187 F188 S189C181-A185 WeakPolarHBondContact O-CB 3.41Å; C181-A185 PolarHBondContact O-N 3.38Å; F182-A185 PolarHBondContact O-N 3.4Å; A185-S187 VanDerWaalsContact C-N 3.3Å; A185-S187 PolarHBondContact O-N 3.38Å; A185-F188 PolarHBondContact O-N 2.74Å; A185-S189 WeakPolarHBondContact O-CB 3.37Å; A185-S189 PolarHBondContact O-N 3.27Å
186D75.9Confident77.3Confident80 Ų8060 Ų6043%0.42833%0.332SS..Hα-helixtrans-60.2-42.2174.4-172.967.5000111.4F182 V184 F188 S189 R190F182-D186 PolarHBondContact O-N 3.49Å; V184-D186 VanDerWaalsContact C-N 3.34Å; V184-D186 PolarHBondContact O-N 3.22Å; D186-F188 PolarHBondContact O-N 3.43Å; D186-S189 PolarHBondContact O-N 2.95Å; D186-R190 WeakPolarHBondContact O-CB 3.4Å; D186-R190 PolarHBondContact O-N 3.45Å; D186-R190 IonicContact OD2-NH1 3.3Å; D186-R190 PolarHBondContact OD2-NH1 2.62Å
187S71.4Confident75.7Confident31 Ų3165.7 Ų65.722%0.21735%0.354CS..Hα-helixtrans-65.2-38.2179.974.20000113.1S183 V184 A185 S191S183-S187 PolarHBondContact O-N 3.35Å; V184-S187 PolarHBondContact O-N 2.82Å; V184-S187 VanDerWaalsContact O-N 3.11Å; V184-S187 PolarHBondContact O-OG 3.47Å; A185-S187 VanDerWaalsContact C-N 3.3Å; A185-S187 PolarHBondContact O-N 3.38Å; S187-S191 WeakPolarHBondContact O-CB 3.34Å; S187-S191 PolarHBondContact O-N 3.46Å; S187-S191 VanDerWaalsContact O-N 3.15Å
188F70.1Confident74.3Confident76 Ų7670.3 Ų70.333%0.33338%0.378SS..Hα-helixtrans-70.4-42.8175.1-81.4-67.9000112.5A114 R115 V184 A185 D186 R190 S191 H192A114-F188 HydrophobicContact CB-CE2 3.92Å; A114-F188 HydrophobicContact CB-CZ 3.98Å; R115-F188 HydrophobicContact CG-CZ 4.02Å; V184-F188 HydrophobicContact CG1-CD2 3.49Å; V184-F188 VanDerWaalsContact CG1-CD2 3.49Å; V184-F188 HydrophobicContact CG1-CE2 3.31Å; V184-F188 WeakPolarHBondContact O-CD2 3.13Å; V184-F188 PolarHBondContact O-N 3.08Å; A185-F188 PolarHBondContact O-N 2.74Å; D186-F188 PolarHBondContact O-N 3.43Å; F188-R190 PolarHBondContact O-N 2.84Å; F188-S191 PolarHBondContact O-N 3.09Å; F188-H192 PolarHBondContact O-N 3.2Å
189S71.1Confident72.6Confident80 Ų8077.9 Ų77.956%0.55940%0.402SS*.Hα-helixtrans-60.4-45.6178.4-175.10000111.7A185 D186 S191 H192 S193A185-S189 WeakPolarHBondContact O-CB 3.37Å; A185-S189 PolarHBondContact O-N 3.27Å; D186-S189 PolarHBondContact O-N 2.95Å; S189-S191 PolarHBondContact O-N 3.42Å; S189-H192 PolarHBondContact O-N 3.29Å; S189-S193 WeakPolarHBondContact O-CB 3.34Å; S189-S193 PolarHBondContact O-N 3.09Å
190R65.7Low71.2Confident157 Ų15785.8 Ų85.859%0.59243%0.428SS*.Hα-helixtrans-61.7-43.7174.7-86176.7139.8150.2-5112.7D186 F188 H192 S193 Q194D186-R190 WeakPolarHBondContact O-CB 3.4Å; D186-R190 PolarHBondContact O-N 3.45Å; D186-R190 IonicContact OD2-NH1 3.3Å; D186-R190 PolarHBondContact OD2-NH1 2.62Å; F188-R190 PolarHBondContact O-N 2.84Å; R190-H192 PolarHBondContact O-N 2.87Å; R190-S193 PolarHBondContact O-N 2.84Å; R190-Q194 WeakPolarHBondContact O-CB 3.26Å; R190-Q194 WeakPolarHBondContact O-CG 3.3Å; R190-Q194 PolarHBondContact O-N 3.24Å
191S64.1Low69.7Low66 Ų6687.3 Ų87.346%0.46245%0.445SS..Hα-helixtrans-64.3-39.2179.9-172.90000112.4S187 F188 S189 Q194 A195S187-S191 WeakPolarHBondContact O-CB 3.34Å; S187-S191 PolarHBondContact O-N 3.46Å; S187-S191 VanDerWaalsContact O-N 3.15Å; F188-S191 PolarHBondContact O-N 3.09Å; S189-S191 PolarHBondContact O-N 3.42Å; S191-Q194 WeakPolarHBondContact O-CB 3.42Å; S191-Q194 PolarHBondContact O-N 3.03Å; S191-A195 PolarHBondContact O-N 2.93Å
192H63.1Low68.2Low126 Ų12689 Ų8958%0.58346%0.461SS*.Hα-helixtrans-71.8-42.3177.5-171.7-98.1000112.6F188 S189 R190 Q194 A195 N196F188-H192 PolarHBondContact O-N 3.2Å; S189-H192 PolarHBondContact O-N 3.29Å; R190-H192 PolarHBondContact O-N 2.87Å; H192-Q194 PolarHBondContact O-N 3.36Å; H192-A195 PolarHBondContact O-N 3.24Å; H192-N196 PolarHBondContact CE1-ND2 3.37Å; H192-N196 VanDerWaalsContact CE1-ND2 3.31Å; H192-N196 PolarHBondContact O-N 3.3Å
193S64.4Low66.8Low76 Ų7683.8 Ų83.853%0.53145%0.446SS..Hα-helixtrans-57-37.1169.9-177.90000110.6S189 R190 N196 Y197S189-S193 WeakPolarHBondContact O-CB 3.34Å; S189-S193 PolarHBondContact O-N 3.09Å; R190-S193 PolarHBondContact O-N 2.84Å; S193-N196 PolarHBondContact O-N 2.95Å; S193-Y197 WeakPolarHBondContact O-CD1 3.44Å; S193-Y197 PolarHBondContact O-N 2.94Å; S193-Y197 VanDerWaalsContact O-N 3.12Å
194Q61.3Low65.2Low108 Ų10886.9 Ų86.951%0.50547%0.468SS..Hα-helixtrans-66.1-49.9178.7-70.1-124.1-27.400113.3R190 S191 H192 N196 Y197 I198R190-Q194 WeakPolarHBondContact O-CB 3.26Å; R190-Q194 WeakPolarHBondContact O-CG 3.3Å; R190-Q194 PolarHBondContact O-N 3.24Å; S191-Q194 WeakPolarHBondContact O-CB 3.42Å; S191-Q194 PolarHBondContact O-N 3.03Å; H192-Q194 PolarHBondContact O-N 3.36Å; Q194-N196 VanDerWaalsContact C-N 3.28Å; Q194-N196 PolarHBondContact O-N 2.91Å; Q194-Y197 HydrophobicContact CB-CD1 4.1Å; Q194-Y197 HydrophobicContact CB-CE1 3.35Å; Q194-Y197 VanDerWaalsContact CD-CE1 3.43Å; Q194-Y197 VanDerWaalsContact CD-OH 3.27Å; Q194-Y197 HydrophobicContact CG-CD1 4.34Å; Q194-Y197 HydrophobicContact CG-CE1 3.45Å; Q194-Y197 VanDerWaalsContact CG-CE1 3.45Å; Q194-Y197 WeakPolarHBondContact O-CD1 3.45Å; Q194-Y197 WeakPolarHBondContact O-CE1 3.22Å; Q194-Y197 VanDerWaalsContact O-CG 3.22Å; Q194-Y197 PolarHBondContact O-N 3.01Å; Q194-Y197 PolarHBondContact OE1-OH 2.73Å; Q194-I198 WeakPolarHBondContact O-CG1 3.41Å; Q194-I198 PolarHBondContact O-N 3.35Å
195A64.3Low63.8Low50 Ų5093.6 Ų93.641%0.41350%0.499SS..Hα-helixtrans-59.2-39.3176.700000112.3S191 H192 I198 Y199S191-A195 PolarHBondContact O-N 2.93Å; H192-A195 PolarHBondContact O-N 3.24Å; A195-I198 PolarHBondContact O-N 3.03Å; A195-Y199 WeakPolarHBondContact O-CB 3.36Å; A195-Y199 PolarHBondContact O-N 3.36Å
196N64.7Low62.3Low92 Ų9294.9 Ų94.949%0.49250%0.504SS..Hα-helixtrans-67.2-36.3178.5-92.5-22.2000113.4H192 S193 Q194 R200H192-N196 PolarHBondContact CE1-ND2 3.37Å; H192-N196 VanDerWaalsContact CE1-ND2 3.31Å; H192-N196 PolarHBondContact O-N 3.3Å; S193-N196 PolarHBondContact O-N 2.95Å; Q194-N196 VanDerWaalsContact C-N 3.28Å; Q194-N196 PolarHBondContact O-N 2.91Å; N196-R200 VanDerWaalsContact O-CB 3.27Å; N196-R200 WeakPolarHBondContact O-CB 3.41Å; N196-R200 PolarHBondContact O-N 3.27Å
197Y61.6Low60.7Low119 Ų11998.6 Ų98.647%0.46752%0.519SS..Hα-helixtrans-68-38.3174.276.7-116.1000111.5S193 Q194 R200 G201S193-Y197 WeakPolarHBondContact O-CD1 3.44Å; S193-Y197 PolarHBondContact O-N 2.94Å; S193-Y197 VanDerWaalsContact O-N 3.12Å; Q194-Y197 HydrophobicContact CB-CD1 4.1Å; Q194-Y197 HydrophobicContact CB-CE1 3.35Å; Q194-Y197 VanDerWaalsContact CD-CE1 3.43Å; Q194-Y197 VanDerWaalsContact CD-OH 3.27Å; Q194-Y197 HydrophobicContact CG-CD1 4.34Å; Q194-Y197 HydrophobicContact CG-CE1 3.45Å; Q194-Y197 VanDerWaalsContact CG-CE1 3.45Å; Q194-Y197 WeakPolarHBondContact O-CD1 3.45Å; Q194-Y197 WeakPolarHBondContact O-CE1 3.22Å; Q194-Y197 VanDerWaalsContact O-CG 3.22Å; Q194-Y197 PolarHBondContact O-N 3.01Å; Q194-Y197 PolarHBondContact OE1-OH 2.73Å; Y197-R200 PolarHBondContact O-N 3.48Å; Y197-G201 PolarHBondContact O-N 2.82Å
198I64.1Low59.5Low97 Ų97103.8 Ų103.850%0.49754%0.543SS..Hα-helixtrans-65.9-45.9178.9-60.3174.7000109.5Q194 A195 R200 G201 A202Q194-I198 WeakPolarHBondContact O-CG1 3.41Å; Q194-I198 PolarHBondContact O-N 3.35Å; A195-I198 PolarHBondContact O-N 3.03Å; I198-R200 VanDerWaalsContact C-N 3.34Å; I198-R200 PolarHBondContact O-N 2.91Å; I198-G201 PolarHBondContact O-N 3.22Å; I198-A202 VanDerWaalsContact O-CB 3.29Å; I198-A202 WeakPolarHBondContact O-CB 3.46Å; I198-A202 PolarHBondContact O-N 2.88Å
199Y59.1Low58.4Low192 Ų192106.2 Ų106.275%0.75356%0.564SS**Hα-helixtrans-62.9-41.1178.8-123.9-91.1000112.1A195 A203A195-Y199 WeakPolarHBondContact O-CB 3.36Å; A195-Y199 PolarHBondContact O-N 3.36Å; Y199-A203 VanDerWaalsContact O-CB 3.29Å; Y199-A203 WeakPolarHBondContact O-CB 3.44Å; Y199-A203 PolarHBondContact O-N 3.27Å
200R62.1Low57Low199 Ų199105.6 Ų105.675%0.75156%0.564SS**Hα-helixtrans-71.3-36.4178.2-157.5176.4-174.7-168.51.2112.1N196 Y197 I198 S204N196-R200 VanDerWaalsContact O-CB 3.27Å; N196-R200 WeakPolarHBondContact O-CB 3.41Å; N196-R200 PolarHBondContact O-N 3.27Å; Y197-R200 PolarHBondContact O-N 3.48Å; I198-R200 VanDerWaalsContact C-N 3.34Å; I198-R200 PolarHBondContact O-N 2.91Å; R200-S204 WeakPolarHBondContact O-CB 3.29Å; R200-S204 PolarHBondContact O-N 3.24Å; R200-S204 PolarHBondContact O-OG 3.46Å
201G58.6Low55.6Low35 Ų35108.5 Ų108.536%0.36158%0.576SS.*Hα-helixtrans-67.4-40.4173.100000113.1Y197 I198 S204 H205Y197-G201 PolarHBondContact O-N 2.82Å; I198-G201 PolarHBondContact O-N 3.22Å; G201-S204 PolarHBondContact O-N 3.22Å; G201-H205 PolarHBondContact O-N 3.07Å
202A57.6Low54.4Low62 Ų62111.9 Ų111.951%0.51259%0.594SS.*Hα-helixtrans-67.2-40.3174.400000111.9I198 H205 S206I198-A202 VanDerWaalsContact O-CB 3.29Å; I198-A202 WeakPolarHBondContact O-CB 3.46Å; I198-A202 PolarHBondContact O-N 2.88Å; A202-H205 PolarHBondContact O-N 3.28Å; A202-S206 PolarHBondContact O-N 2.89Å; A202-S206 VanDerWaalsContact O-N 3.11Å
203A58.4Low53.1Low45 Ų45118.2 Ų118.237%0.37261%0.613SS.*Hα-helixtrans-63.6-42.3172.100000111.7Y199 H205 S206 H207Y199-A203 VanDerWaalsContact O-CB 3.29Å; Y199-A203 WeakPolarHBondContact O-CB 3.44Å; Y199-A203 PolarHBondContact O-N 3.27Å; A203-H205 PolarHBondContact O-N 3.44Å; A203-S206 PolarHBondContact O-N 3.26Å; A203-S206 PolarHBondContact O-OG 2.92Å; A203-H207 PolarHBondContact O-CD2 2.73Å; A203-H207 PolarHBondContact O-N 3.16Å
204S52.7Low51.5Low74 Ų74118 Ų11852%0.51762%0.623SS.*Hα-helixtrans-66.3-35.3176.2-76.70000113.8R200 G201 S206 H207R200-S204 WeakPolarHBondContact O-CB 3.29Å; R200-S204 PolarHBondContact O-N 3.24Å; R200-S204 PolarHBondContact O-OG 3.46Å; G201-S204 PolarHBondContact O-N 3.22Å; S204-S206 VanDerWaalsContact C-N 3.33Å; S204-H207 PolarHBondContact O-N 3.03Å
205H49.9Very low50.1Low147 Ų147122.1 Ų122.168%0.68164%0.642SS**Hα-helixtrans-70-28.4173-101.9-91000113.1G201 A202 A203 H207G201-H205 PolarHBondContact O-N 3.07Å; A202-H205 PolarHBondContact O-N 3.28Å; A203-H205 PolarHBondContact O-N 3.44Å; H205-H207 VanDerWaalsContact C-N 3.3Å; H205-H207 PolarHBondContact O-N 3.16Å
206S47.4Very low48.5Very low81 Ų81127 Ų12757%0.56667%0.667SS**Hα-helixtrans-72.1-21.9176.673.60000113.7A202 A203 S204A202-S206 PolarHBondContact O-N 2.89Å; A202-S206 VanDerWaalsContact O-N 3.11Å; A203-S206 PolarHBondContact O-N 3.26Å; A203-S206 PolarHBondContact O-OG 2.92Å; S204-S206 VanDerWaalsContact C-N 3.33Å
207H43.5Very low47.1Very low157 Ų157132.2 Ų132.273%0.72769%0.685SS**THydrogen-bonded Turntrans-85.4-6.8178.2-84.9-79.4000114.9A203 S204 H205A203-H207 PolarHBondContact O-CD2 2.73Å; A203-H207 PolarHBondContact O-N 3.16Å; S204-H207 PolarHBondContact O-N 3.03Å; H205-H207 VanDerWaalsContact C-N 3.3Å; H205-H207 PolarHBondContact O-N 3.16Å
208I45.5Very low45.6Very low140 Ų140132.6 Ų132.672%0.71870%0.702SS**THydrogen-bonded Turntrans-92.1-4.4-178.3-65.5176.7000113
209T46.3Very low44Very low127 Ų127135 Ų13578%0.77972%0.721SS**SBendtrans-108.133.4-175.1-29.40000114.7
210A42.6Very low42.7Very low67 Ų67134.6 Ų134.655%0.55472%0.723SS**  trans-141.234.3-174.900000116.7
211Y37.2Very low41.1Very low218 Ų218134.3 Ų134.386%0.85573%0.73SS**  trans-150.5109.9163.4-67.9-78000108
212T37Very low39.5Very low137 Ų137136.3 Ų136.384%0.8475%0.751SS**  -171.4121.465.930.10000109.5
213R36.9Very low38Very low260 Ų260142.8 Ų142.898%0.98177%0.77SS**  trans-149.899.9154.5-158.1176.8-156.6168.36.6111
214G30.8Very low36.6Very low72 Ų72145.2 Ų145.274%0.74279%0.79SS**  trans152.2134.7172.900000108.5
215Q31.9Very low35.5Very low193 Ų193145.8 Ų145.890%0.90280%0.799SS**  cis-168.4129.90.4-116.3-168.3-17.400103.8
216T30.8Very low34.5Very low152 Ų152145.3 Ų145.393%0.93380%0.802SS**  trans-138.5130.5161.831.10000110.7
217K34.1Very low33.6Very low202 Ų202148.5 Ų148.588%0.87881%0.813SS**  trans-59.2154.1-170.2-62.4171.7175.1177.40113.9
218P31Very low32.9Very low127 Ų127145.6 Ų145.683%0.82581%0.81SS**  trans-97.1134.8163.334.6-25.1000111.9
219V31.4Very low32.1Very low148 Ų148144.2 Ų144.290%0.89781%0.813SS**  trans-111146.8159.8169.20000107.3
220K31.7Very low31.3Very low184 Ų184143.3 Ų143.380%0.881%0.812SS**  trans-67.9161.4-166.1-80.7-179.2172.9-178.60116.3
221E27.3Very low30.8Very low192 Ų192145.1 Ų145.190%0.89782%0.82SS**  trans85.9129.8151.3-83.6165.5147.100120.6
222G26Very low30.5Very low77 Ų77145.8 Ų145.879%0.79482%0.821SS**  trans142.7128.5161.200000114.5
223H26.1Very low30.4Very low199 Ų199145.6 Ų145.692%0.92182%0.819SS**  trans-69.7164.8-170.9-79.9-18.3000118.1
224A28.1Very low30.5Very low95 Ų95140.4 Ų140.479%0.78581%0.806SS**  trans97.9110.613700000120.6
225A30.4Very low30.5Very low86 Ų86146.1 Ų146.171%0.71181%0.813SS**  75.4125.3124.100000122.2
226D28Very low30.7Very low138 Ų138145.6 Ų145.674%0.73881%0.808SS**  trans93105.2134.2-66-5.6000122.6
227N28.3Very low31.2Very low147 Ų147145.4 Ų145.479%0.78680%0.802SS**  89.4134.5119.2-80.8-25.3000122.9
228S28.7Very low31.6Very low97 Ų97145.3 Ų145.368%0.67880%0.801SS**  trans7992.1147.3179.70000117.4
229S28.8Very low32.2Very low110 Ų110145.9 Ų145.977%0.76980%0.797SS**  51.2114.28676.30000115.5
230S30.3Very low32.7Very low109 Ų109142.5 Ų142.576%0.76279%0.785SS**  -178.2116.1121-160.50000113.1
231S31.5Very low32.9Very low104 Ų104144.1 Ų144.173%0.72779%0.788SS**  trans47116139.859.20000123
232R31.8Very low33.6Very low232 Ų232145.4 Ų145.488%0.87581%0.808SS**  trans-88.1127.9158.1-175.6-171.3-151.5177.95.4108.3
233V35.2Very low34Very low133 Ų133148.8 Ų148.881%0.80681%0.809SS**  trans-139123.9161.2-179.40000109.8
234Q37.6Very low34.4Very low151 Ų151146.2 Ų146.271%0.70680%0.803SS**  trans-76151.7174.1-64.6165.6-64.200110.2
235H31.3Very low34.8Very low192 Ų192149 Ų14989%0.88980%0.804SS**  trans-133.4126.4157.6-126.1-69.6000111.7
236F35.4Very low35Very low182 Ų182152.7 Ų152.780%0.79881%0.809SS**  trans-79.8153.3-175.4-108.6-96.7000113
237D41.3Very low35.5Very low148 Ų148153.6 Ų153.679%0.79181%0.814SS**  trans-43.1147.6162-97.7-69.6000115.1
238K44.2Very low35.9Very low201 Ų201154.1 Ų154.187%0.87482%0.816SS**  trans-147.7130.4155.7-111.4175.8-176.7177.30112.1
239N43.3Very low36.5Very low138 Ų138158.1 Ų158.174%0.73883%0.826SS**  trans-62.9162.8-177.5-60.6-43000115.9
240A40.7Very low37Very low78 Ų78161.8 Ų161.865%0.64583%0.83SS**  trans63.1132.3142.200000117.7
241Y37Very low37.6Very low218 Ų218166.3 Ų166.386%0.85584%0.835SS**  -163141.3115.9-25.9-85000111
242V41.8Very low38.2Very low218 Ų218171.9 Ų171.9100%1.32185%0.845SS**  trans68.30156.1-1620000119.5

Retrieved 242 of 242 residues in 370.9 ms (Link to these results)

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