A0A087X3H1_POEFO Loading...

T cell activation inhibitor, mitochondrial

AlphaFold DB , UniProt , Accession A0A087X3H1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 390 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
1R41Very low56.5Low257 Ų25774 Ų7497%0.9742%0.421SS*.  0134.10-94.9179.7175.2144.2-1.2107
2A46.8Very low57.4Low85 Ų8567.9 Ų67.970%0.70239%0.386SS*.PPolyproline II helixtrans-62.7135.8172.700000109.4
3L53.9Low58Low35 Ų3573 Ų7318%0.18340%0.395CS..PPolyproline II helixtrans-59.7140.2175.7-76.9175.9000110.6E7 L96 M113L3-E7 HydrophobicContact CD2-CB 4.04Å; L3-E7 WeakPolarHBondContact CD2-OE2 3.37Å; L3-L96 HydrophobicContact CB-CG 4.4Å; L3-L96 HydrophobicContact CD1-CD1 4.46Å; L3-L96 HydrophobicContact CD1-CD2 3.11Å; L3-L96 HydrophobicContact CD1-CG 3.52Å; L3-L96 HydrophobicContact CD2-CD2 4.37Å; L3-L96 HydrophobicContact CG-CD1 4.09Å; L3-L96 HydrophobicContact CG-CD2 3.53Å; L3-L96 HydrophobicContact CG-CG 3.65Å; L3-M113 HydrophobicContact CD1-CE 3.32Å; L3-M113 HydrophobicContact CD2-CE 4.33Å; L3-M113 HydrophobicContact CG-CE 4.44Å
4S57.4Low58.5Low64 Ų6472.9 Ų72.945%0.44840%0.4SS..PPolyproline II helixtrans-65.4146.8168.51750000110A6 E7 A8S4-A6 PolarHBondContact O-N 2.97Å; S4-A6 VanDerWaalsContact O-N 3.08Å; S4-E7 PolarHBondContact N-OE2 3.38Å; S4-E7 WeakPolarHBondContact O-CB 3.38Å; S4-E7 PolarHBondContact O-N 3.02Å; S4-A8 PolarHBondContact O-N 2.86Å; S4-A8 VanDerWaalsContact O-N 3.1Å
5A57.1Low59.2Low38 Ų3868 Ų6831%0.31437%0.373SS..Hα-helixtrans-49-37.2174.800000112.4A8 V9 Q49A5-A8 PolarHBondContact O-N 3.41Å; A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.45Å; A5-V9 PolarHBondContact O-N 2.63Å; A5-Q49 VanDerWaalsContact CB-CD 3.5Å
6A56.2Low59.9Low58 Ų5866.6 Ų66.648%0.47936%0.361SS..Hα-helixtrans-69-33.4178.600000113.2S4 N10S4-A6 PolarHBondContact O-N 2.97Å; S4-A6 VanDerWaalsContact O-N 3.08Å; A6-N10 WeakPolarHBondContact O-CB 3.26Å; A6-N10 PolarHBondContact O-N 2.71Å; A6-N10 VanDerWaalsContact O-N 3.08Å; A6-N10 PolarHBondContact O-ND2 2.91Å
7E59.9Low60.4Low97 Ų9770.5 Ų70.545%0.45337%0.374SS..Hα-helixtrans-74.7-38.2177.6-65.6170.8153.100110.8L3 S4 N10 A11L3-E7 HydrophobicContact CD2-CB 4.04Å; L3-E7 WeakPolarHBondContact CD2-OE2 3.37Å; S4-E7 PolarHBondContact N-OE2 3.38Å; S4-E7 WeakPolarHBondContact O-CB 3.38Å; S4-E7 PolarHBondContact O-N 3.02Å; E7-N10 PolarHBondContact O-N 3.44Å; E7-A11 WeakPolarHBondContact O-CB 3.46Å; E7-A11 PolarHBondContact O-N 3.4Å
8A61.2Low60.7Low0 Ų068.3 Ų68.30%037%0.368CS..Hα-helixtrans-64.4-41.6174.100000112.4S4 A5 A11 L12 M45 I95 V99S4-A8 PolarHBondContact O-N 2.86Å; S4-A8 VanDerWaalsContact O-N 3.1Å; A5-A8 PolarHBondContact O-N 3.41Å; A8-A11 PolarHBondContact O-N 3.49Å; A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 3.31Å; A8-M45 HydrophobicContact CB-CE 4.09Å; A8-I95 HydrophobicContact CB-CG2 4.06Å; A8-V99 HydrophobicContact CB-CG2 4.25Å
9V62.6Low61Low73 Ų7364.7 Ų64.744%0.44235%0.348SS..Hα-helixtrans-67.1-39.5176171.90000111.5A5 A11 L12 R13A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.45Å; A5-V9 PolarHBondContact O-N 2.63Å; V9-A11 VanDerWaalsContact C-N 3.35Å; V9-L12 PolarHBondContact O-N 3.1Å; V9-R13 PolarHBondContact O-N 3.02Å; V9-R13 VanDerWaalsContact O-N 3.14Å
10N62.4Low61.5Low85 Ų8565.1 Ų65.146%0.45535%0.348SS..Hα-helixtrans-65.4-37.6174.8-79.8-33000112.1A6 E7 R13A6-N10 WeakPolarHBondContact O-CB 3.26Å; A6-N10 PolarHBondContact O-N 2.71Å; A6-N10 VanDerWaalsContact O-N 3.08Å; A6-N10 PolarHBondContact O-ND2 2.91Å; E7-N10 PolarHBondContact O-N 3.44Å; N10-R13 VanDerWaalsContact O-CB 3.28Å; N10-R13 WeakPolarHBondContact O-CB 3.39Å; N10-R13 PolarHBondContact O-N 3.01Å; N10-R13 PolarHBondContact OD1-NH1 3.39Å
11A62.7Low61.5Low22 Ų2262.7 Ų62.718%0.18234%0.336CS..Hα-helixtrans-68.7-34.8176.500000113.1E7 A8 V9 R13 P14 V99 M113E7-A11 WeakPolarHBondContact O-CB 3.46Å; E7-A11 PolarHBondContact O-N 3.4Å; A8-A11 PolarHBondContact O-N 3.49Å; V9-A11 VanDerWaalsContact C-N 3.35Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-P14 VanDerWaalsContact O-CD 3.31Å; A11-P14 WeakPolarHBondContact O-CD 3.28Å; A11-V99 HydrophobicContact CB-CG1 4.2Å; A11-M113 HydrophobicContact CB-CE 4.12Å; A11-M113 HydrophobicContact CB-SD 3.52Å; A11-M113 VanDerWaalsContact CB-SD 3.52Å
12L67.3Low62.8Low1 Ų155.6 Ų55.61%0.00532%0.317CS..Hα-helixtrans-82.7-4.1176.3-70.9176.3000113.7A8 V9 P14 F15 Y16 M45 V99 V102 L103A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 3.31Å; V9-L12 PolarHBondContact O-N 3.1Å; L12-P14 VanDerWaalsContact C-CD 3.44Å; L12-F15 HydrophobicContact CD2-CB 4.48Å; L12-F15 WeakPolarHBondContact O-CA 3.49Å; L12-F15 VanDerWaalsContact O-CB 3.32Å; L12-F15 WeakPolarHBondContact O-CB 3.35Å; L12-F15 PolarHBondContact O-N 2.9Å; L12-Y16 HydrophobicContact CB-CD2 3.92Å; L12-Y16 HydrophobicContact CB-CE2 3.61Å; L12-Y16 HydrophobicContact CD1-CE2 4.36Å; L12-Y16 VanDerWaalsContact O-CD2 3.25Å; L12-Y16 WeakPolarHBondContact O-CD2 3.47Å; L12-Y16 PolarHBondContact O-N 3.47Å; L12-M45 HydrophobicContact CD1-CE 3.73Å; L12-M45 HydrophobicContact CD1-SD 3.56Å; L12-M45 VanDerWaalsContact CD1-SD 3.56Å; L12-V99 HydrophobicContact CD1-CG2 4.06Å; L12-V99 HydrophobicContact CD2-CB 4.47Å; L12-V99 HydrophobicContact CD2-CG1 3.9Å; L12-V99 HydrophobicContact CD2-CG2 4.41Å; L12-V99 HydrophobicContact CG-CG1 4.05Å; L12-V99 HydrophobicContact CG-CG2 4.14Å; L12-V102 HydrophobicContact CD2-CB 4.38Å; L12-V102 HydrophobicContact CD2-CG1 4.07Å; L12-L103 HydrophobicContact CD2-CD2 4.28Å; L12-L103 HydrophobicContact CD2-CG 4.18Å
13R65.8Low63.6Low134 Ų13457.2 Ų57.251%0.50631%0.308SS..Hα-helixtrans-52-43.7179.9-178179.9-96.9131.2-2113.3V9 N10 A11 F15 Y16 F17V9-R13 PolarHBondContact O-N 3.02Å; V9-R13 VanDerWaalsContact O-N 3.14Å; N10-R13 VanDerWaalsContact O-CB 3.28Å; N10-R13 WeakPolarHBondContact O-CB 3.39Å; N10-R13 PolarHBondContact O-N 3.01Å; N10-R13 PolarHBondContact OD1-NH1 3.39Å; A11-R13 VanDerWaalsContact C-N 3.32Å; R13-F15 VanDerWaalsContact C-N 3.29Å; R13-F15 PolarHBondContact O-N 2.99Å; R13-Y16 PolarHBondContact O-N 3.44Å; R13-F17 HydrophobicContact CG-CD2 3.79Å; R13-F17 HydrophobicContact CG-CE2 3.53Å; R13-F17 WeakPolarHBondContact O-CD2 3.47Å; R13-F17 PolarHBondContact O-N 3.03Å
14P65.1Low64Low71 Ų7155.7 Ų55.746%0.46130%0.3SS..Hα-helixtrans-62.6-35.1175.2-20.733.6000113.1A11 L12 A18A11-P14 VanDerWaalsContact O-CD 3.31Å; A11-P14 WeakPolarHBondContact O-CD 3.28Å; L12-P14 VanDerWaalsContact C-CD 3.44Å; P14-A18 PolarHBondContact O-N 3.48Å
15F68.3Low64.2Low0 Ų055.2 Ų55.20%031%0.306CS..Hα-helixtrans-67.6-49.1175.3170.5-100.7000111.1L12 R13 F17 A18 V19 L38 L41 F63 V102 L103 C106 L108L12-F15 HydrophobicContact CD2-CB 4.48Å; L12-F15 WeakPolarHBondContact O-CA 3.49Å; L12-F15 VanDerWaalsContact O-CB 3.32Å; L12-F15 WeakPolarHBondContact O-CB 3.35Å; L12-F15 PolarHBondContact O-N 2.9Å; R13-F15 VanDerWaalsContact C-N 3.29Å; R13-F15 PolarHBondContact O-N 2.99Å; F15-F17 VanDerWaalsContact C-N 3.26Å; F15-F17 PolarHBondContact O-N 3.21Å; F15-A18 PolarHBondContact O-N 3.48Å; F15-V19 HydrophobicContact CD1-CG2 4.27Å; F15-V19 HydrophobicContact CD2-CG1 4.25Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CE2-CG1 3.76Å; F15-V19 HydrophobicContact CE2-CG2 4.24Å; F15-V19 HydrophobicContact CZ-CG1 4.09Å; F15-V19 HydrophobicContact CZ-CG2 3.84Å; F15-V19 WeakPolarHBondContact O-CG2 3.48Å; F15-V19 PolarHBondContact O-N 3.29Å; F15-V19 VanDerWaalsContact O-N 3.11Å; F15-L38 HydrophobicContact CE1-CD2 4.13Å; F15-L41 HydrophobicContact CE1-CD2 3.7Å; F15-L41 HydrophobicContact CZ-CD2 4.39Å; F15-F63 HydrophobicContact CZ-CD1 4.2Å; F15-F63 AromaticContact CZ-CD2 3.97Å; F15-F63 HydrophobicContact CZ-CD2 3.97Å; F15-F63 HydrophobicContact CZ-CE1 4.2Å; F15-F63 AromaticContact CZ-CE2 3.96Å; F15-F63 HydrophobicContact CZ-CE2 3.96Å; F15-F63 HydrophobicContact CZ-CG 4.08Å; F15-F63 HydrophobicContact CZ-CZ 4.07Å; F15-V102 HydrophobicContact CD1-CG1 4.21Å; F15-V102 HydrophobicContact CD2-CG1 4.02Å; F15-V102 HydrophobicContact CE1-CG1 4.2Å; F15-V102 HydrophobicContact CE2-CG1 4.03Å; F15-V102 HydrophobicContact CG-CG1 4.11Å; F15-V102 HydrophobicContact CZ-CG1 4.11Å; F15-L103 HydrophobicContact CB-CD2 4.27Å; F15-C106 HydrophobicContact CD2-CB 4.15Å; F15-C106 VanDerWaalsContact CD2-SG 3.52Å; F15-C106 WeakPolarHBondContact CE2-SG 3.44Å; F15-L108 HydrophobicContact CB-CD1 4.04Å
16Y70.4Confident64.3Low45 Ų4561.6 Ų61.618%0.17633%0.329CS..Hα-helixtrans-57.4-39.1176.8-73.8-69000112.2L12 R13 A18 V19 H20 L38 N42L12-Y16 HydrophobicContact CB-CD2 3.92Å; L12-Y16 HydrophobicContact CB-CE2 3.61Å; L12-Y16 HydrophobicContact CD1-CE2 4.36Å; L12-Y16 VanDerWaalsContact O-CD2 3.25Å; L12-Y16 WeakPolarHBondContact O-CD2 3.47Å; L12-Y16 PolarHBondContact O-N 3.47Å; R13-Y16 PolarHBondContact O-N 3.44Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; Y16-A18 PolarHBondContact O-N 3.21Å; Y16-V19 PolarHBondContact O-N 3.32Å; Y16-H20 WeakPolarHBondContact O-CA 3.49Å; Y16-H20 VanDerWaalsContact O-CB 3.29Å; Y16-H20 WeakPolarHBondContact O-CB 3.03Å; Y16-H20 PolarHBondContact O-N 2.92Å; Y16-L38 HydrophobicContact CD1-CD2 3.77Å; Y16-L38 HydrophobicContact CE1-CD2 3.71Å; Y16-N42 PolarHBondContact OH-OD1 2.97Å
17F68.8Low64.9Low133 Ų13362.2 Ų62.258%0.58332%0.321SS*.Hα-helixtrans-62.4-37.8174.7-85.5-64.5000112.9R13 F15 F23R13-F17 HydrophobicContact CG-CD2 3.79Å; R13-F17 HydrophobicContact CG-CE2 3.53Å; R13-F17 WeakPolarHBondContact O-CD2 3.47Å; R13-F17 PolarHBondContact O-N 3.03Å; F15-F17 VanDerWaalsContact C-N 3.26Å; F15-F17 PolarHBondContact O-N 3.21Å; F17-F23 WeakPolarHBondContact O-CE2 3.43Å
18A66.1Low65.3Low31 Ų3162 Ų6226%0.25633%0.328SS..Hα-helixtrans-75.5-27.2-17800000113.7P14 F15 Y16 I65P14-A18 PolarHBondContact O-N 3.48Å; F15-A18 PolarHBondContact O-N 3.48Å; Y16-A18 VanDerWaalsContact C-N 3.32Å; Y16-A18 PolarHBondContact O-N 3.21Å; A18-I65 HydrophobicContact CB-CG2 4.09Å
19V66.4Low65.7Low0 Ų071.7 Ų71.70%037%0.365CS..Hα-helixtrans-111.75.6-176.4-53.60000114.1F15 Y16 L38 F63 I65F15-V19 HydrophobicContact CD1-CG2 4.27Å; F15-V19 HydrophobicContact CD2-CG1 4.25Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CE2-CG1 3.76Å; F15-V19 HydrophobicContact CE2-CG2 4.24Å; F15-V19 HydrophobicContact CZ-CG1 4.09Å; F15-V19 HydrophobicContact CZ-CG2 3.84Å; F15-V19 WeakPolarHBondContact O-CG2 3.48Å; F15-V19 PolarHBondContact O-N 3.29Å; F15-V19 VanDerWaalsContact O-N 3.11Å; Y16-V19 PolarHBondContact O-N 3.32Å; V19-L38 HydrophobicContact CG2-CD1 4.19Å; V19-L38 HydrophobicContact CG2-CD2 3.78Å; V19-L38 HydrophobicContact CG2-CG 4.19Å; V19-F63 HydrophobicContact CB-CD1 4.35Å; V19-F63 HydrophobicContact CG1-CB 4.28Å; V19-F63 HydrophobicContact CG1-CD1 4.45Å; V19-F63 HydrophobicContact CG2-CD1 4.38Å; V19-I65 HydrophobicContact CG1-CD1 4.47Å; V19-I65 HydrophobicContact CG1-CG1 3.88Å
20H70.6Confident66.1Low73 Ų7370.4 Ų70.434%0.33835%0.354SS..  trans-62.1129.3-174.4-161.3-93.7000111.5Y16 D22 F23 F24Y16-H20 WeakPolarHBondContact O-CA 3.49Å; Y16-H20 VanDerWaalsContact O-CB 3.29Å; Y16-H20 WeakPolarHBondContact O-CB 3.03Å; Y16-H20 PolarHBondContact O-N 2.92Å; H20-D22 IonicContact CE1-OD2 3.37Å; H20-D22 PolarHBondContact CE1-OD2 3.31Å; H20-D22 WeakPolarHBondContact ND1-CB 3.35Å; H20-D22 PolarHBondContact ND1-N 3.47Å; H20-D22 IonicContact ND1-OD2 2.74Å; H20-D22 PolarHBondContact O-N 2.98Å; H20-D22 VanDerWaalsContact O-N 3.12Å; H20-F23 HydrophobicContact CB-CD2 3.69Å; H20-F23 HydrophobicContact CB-CE2 3.85Å; H20-F23 PolarHBondContact O-N 3.21Å; H20-F24 WeakPolarHBondContact O-CD2 3.18Å
21P62.8Low66.6Low15 Ų1571 Ų7110%0.09735%0.349CS..G310 helixtrans-60.9-26.1-172.920.3-31.7000114.1F23 F24 R31P21-F23 PolarHBondContact O-N 3.46Å; P21-F24 PolarHBondContact O-N 3.36Å; P21-R31 HydrophobicContact CB-CG 3.75Å
22D67.9Low67.1Low107 Ų10775.7 Ų75.757%0.57237%0.368SS*.G310 helixtrans-63.5-24.5177.4-68.7-12.1000113.3H20 F24 R31H20-D22 IonicContact CE1-OD2 3.37Å; H20-D22 PolarHBondContact CE1-OD2 3.31Å; H20-D22 WeakPolarHBondContact ND1-CB 3.35Å; H20-D22 PolarHBondContact ND1-N 3.47Å; H20-D22 IonicContact ND1-OD2 2.74Å; H20-D22 PolarHBondContact O-N 2.98Å; H20-D22 VanDerWaalsContact O-N 3.12Å; D22-F24 VanDerWaalsContact C-N 3.28Å; D22-F24 PolarHBondContact O-N 3.22Å; D22-R31 IonicContact OD1-NH2 3.17Å
23F62.2Low67.4Low120 Ų12078.1 Ų78.153%0.52638%0.383SS..G310 helixtrans-80.1-10.1175.8-62.5-63.7000113.4F17 H20 P21F17-F23 WeakPolarHBondContact O-CE2 3.43Å; H20-F23 HydrophobicContact CB-CD2 3.69Å; H20-F23 HydrophobicContact CB-CE2 3.85Å; H20-F23 PolarHBondContact O-N 3.21Å; P21-F23 PolarHBondContact O-N 3.46Å
24F62.9Low68Low3 Ų371.8 Ų71.81%0.01336%0.359CS..G310 helixtrans-104.925.1179.9-62.8-91.5000112.2H20 P21 D22 Q26 F27 E30 R31 N34 Y64 F83H20-F24 WeakPolarHBondContact O-CD2 3.18Å; P21-F24 PolarHBondContact O-N 3.36Å; D22-F24 VanDerWaalsContact C-N 3.28Å; D22-F24 PolarHBondContact O-N 3.22Å; F24-Q26 PolarHBondContact O-N 3.29Å; F24-Q26 VanDerWaalsContact O-N 3.07Å; F24-F27 CarbonylContact O-C 3.57Å; F24-F27 PolarHBondContact O-N 3.09Å; F24-E30 HydrophobicContact CD1-CB 4.28Å; F24-R31 HydrophobicContact CB-CB 3.88Å; F24-N34 VanDerWaalsContact CE2-ND2 3.34Å; F24-N34 WeakPolarHBondContact CE2-ND2 3.26Å; F24-Y64 VanDerWaalsContact CZ-O 3.26Å; F24-Y64 WeakPolarHBondContact CZ-O 3.46Å; F24-F83 HydrophobicContact CD1-CD1 4.44Å; F24-F83 HydrophobicContact CD1-CE1 4.09Å; F24-F83 HydrophobicContact CD1-CZ 4.43Å; F24-F83 AromaticContact CE1-CD1 3.63Å; F24-F83 HydrophobicContact CE1-CD1 3.63Å; F24-F83 AromaticContact CE1-CE1 3.62Å; F24-F83 HydrophobicContact CE1-CE1 3.62Å; F24-F83 HydrophobicContact CE1-CG 4.36Å; F24-F83 HydrophobicContact CE1-CZ 4.36Å; F24-F83 HydrophobicContact CZ-CD1 4.43Å; F24-F83 HydrophobicContact CZ-CE1 4.5Å
25G61.3Low68.5Low54 Ų5471.8 Ų71.856%0.55735%0.352SS*.THydrogen-bonded Turntrans-56.5-25.8-179.300000114.9
26Q60.4Low69Low172 Ų17275.3 Ų75.380%0.80437%0.371SS*.THydrogen-bonded Turntrans-85.8-9.4176.3-64179.91.100113.6F24F24-Q26 PolarHBondContact O-N 3.29Å; F24-Q26 VanDerWaalsContact O-N 3.07Å
27F67.5Low69.2Low70 Ų7073.7 Ų73.731%0.30737%0.367SS..  trans-131.280.2-171.9-66-74.6000110.5F24 R29 E30 R31 F83F24-F27 CarbonylContact O-C 3.57Å; F24-F27 PolarHBondContact O-N 3.09Å; F27-R29 VanDerWaalsContact C-N 3.32Å; F27-R29 PolarHBondContact O-N 3.3Å; F27-E30 HydrophobicContact CB-CB 4.12Å; F27-E30 HydrophobicContact CB-CG 4.34Å; F27-E30 WeakPolarHBondContact CB-OE2 3.29Å; F27-E30 PolarHBondContact O-N 3.02Å; F27-R31 WeakPolarHBondContact O-CB 3.3Å; F27-R31 PolarHBondContact O-N 3.35Å; F27-F83 HydrophobicContact CD1-CE2 4.4Å; F27-F83 AromaticContact CD2-CE2 3.62Å; F27-F83 HydrophobicContact CD2-CE2 3.62Å; F27-F83 AromaticContact CD2-CZ 3.61Å; F27-F83 HydrophobicContact CD2-CZ 3.61Å; F27-F83 HydrophobicContact CE1-CE2 4.26Å; F27-F83 AromaticContact CE2-CE2 3.45Å; F27-F83 HydrophobicContact CE2-CE2 3.45Å; F27-F83 VanDerWaalsContact CE2-CE2 3.45Å; F27-F83 AromaticContact CE2-CZ 3.52Å; F27-F83 HydrophobicContact CE2-CZ 3.52Å; F27-F83 HydrophobicContact CG-CE2 4.11Å; F27-F83 HydrophobicContact CG-CZ 4.46Å; F27-F83 AromaticContact CZ-CE2 3.8Å; F27-F83 HydrophobicContact CZ-CE2 3.8Å; F27-F83 HydrophobicContact CZ-CZ 4.3Å
28P69.4Low69.6Low94 Ų9468.1 Ų68.161%0.6134%0.343SS*.Hα-helixtrans-66.5-28.4-169.221.8-31000114.1E32P28-E32 PolarHBondContact O-N 3.4Å; P28-E32 VanDerWaalsContact O-N 3.17Å
29R69.9Low70Confident203 Ų20372.2 Ų72.277%0.76636%0.355SS*.Hα-helixtrans-73.4-42.4178.7-67.7-176.8176.6-171.7-0.6111.4F27 E32 V33F27-R29 VanDerWaalsContact C-N 3.32Å; F27-R29 PolarHBondContact O-N 3.3Å; R29-E32 PolarHBondContact O-N 3.28Å; R29-V33 WeakPolarHBondContact O-CG2 3.03Å; R29-V33 PolarHBondContact O-N 3Å; R29-V33 VanDerWaalsContact O-N 3.12Å
30E69.6Low70.3Confident46 Ų4677 Ų7722%0.21538%0.377CS..Hα-helixtrans-70.2-37.6179.2-64.279.7173.800110.7F24 F27 V33 N34 Y64F24-E30 HydrophobicContact CD1-CB 4.28Å; F27-E30 HydrophobicContact CB-CB 4.12Å; F27-E30 HydrophobicContact CB-CG 4.34Å; F27-E30 WeakPolarHBondContact CB-OE2 3.29Å; F27-E30 PolarHBondContact O-N 3.02Å; E30-V33 PolarHBondContact O-N 3.4Å; E30-N34 WeakPolarHBondContact O-CB 3.32Å; E30-N34 PolarHBondContact O-N 3.17Å; E30-Y64 HydrophobicContact CB-CD2 4.04Å; E30-Y64 HydrophobicContact CB-CG 4.26Å; E30-Y64 HydrophobicContact CG-CD1 4.39Å; E30-Y64 HydrophobicContact CG-CD2 4.14Å; E30-Y64 HydrophobicContact CG-CE2 4.31Å; E30-Y64 HydrophobicContact CG-CG 4.18Å
31R72.4Confident70.4Confident96 Ų9673.5 Ų73.536%0.36236%0.361SS..Hα-helixtrans-58.6-48.6171.6-178179.7175.3166.27.7111.9P21 D22 F24 F27 N34 E35P21-R31 HydrophobicContact CB-CG 3.75Å; D22-R31 IonicContact OD1-NH2 3.17Å; F24-R31 HydrophobicContact CB-CB 3.88Å; F27-R31 WeakPolarHBondContact O-CB 3.3Å; F27-R31 PolarHBondContact O-N 3.35Å; R31-N34 PolarHBondContact O-N 3.11Å; R31-E35 WeakPolarHBondContact O-CB 3.5Å; R31-E35 PolarHBondContact O-N 2.75Å
32E74.1Confident70.9Confident122 Ų12275.6 Ų75.657%0.5737%0.371SS*.Hα-helixtrans-64.6-41.2-179.4-176174.2-162.900111.7P28 R29 E35 N36P28-E32 PolarHBondContact O-N 3.4Å; P28-E32 VanDerWaalsContact O-N 3.17Å; R29-E32 PolarHBondContact O-N 3.28Å; E32-E35 PolarHBondContact O-N 3.48Å; E32-N36 WeakPolarHBondContact O-CB 3.43Å; E32-N36 VanDerWaalsContact O-CG 3.31Å; E32-N36 PolarHBondContact O-N 2.9Å; E32-N36 PolarHBondContact O-ND2 2.96Å
33V74.6Confident71.1Confident52 Ų5271.7 Ų71.732%0.31536%0.357SS..Hα-helixtrans-64.6-41.5176.5174.10000111.6R29 E30 S37 Y64R29-V33 WeakPolarHBondContact O-CG2 3.03Å; R29-V33 PolarHBondContact O-N 3Å; R29-V33 VanDerWaalsContact O-N 3.12Å; E30-V33 PolarHBondContact O-N 3.4Å; V33-S37 VanDerWaalsContact O-CB 3.23Å; V33-S37 WeakPolarHBondContact O-CB 3.34Å; V33-S37 PolarHBondContact O-N 2.91Å; V33-S37 PolarHBondContact O-OG 2.99Å; V33-Y64 HydrophobicContact CB-CD2 4.34Å; V33-Y64 HydrophobicContact CB-CE2 4.05Å; V33-Y64 HydrophobicContact CG1-CD2 4.19Å; V33-Y64 HydrophobicContact CG1-CE2 3.84Å; V33-Y64 HydrophobicContact CG2-CE2 4.44Å
34N76.6Confident71.4Confident0 Ų066.2 Ų66.20%033%0.333CS..Hα-helixtrans-68.3-40.7176.8-81.50.5000112.2F24 E30 R31 S37 L38 F63 Y64F24-N34 VanDerWaalsContact CE2-ND2 3.34Å; F24-N34 WeakPolarHBondContact CE2-ND2 3.26Å; E30-N34 WeakPolarHBondContact O-CB 3.32Å; E30-N34 PolarHBondContact O-N 3.17Å; R31-N34 PolarHBondContact O-N 3.11Å; N34-S37 PolarHBondContact O-N 2.9Å; N34-L38 VanDerWaalsContact O-CB 3.27Å; N34-L38 WeakPolarHBondContact O-CB 3.13Å; N34-L38 VanDerWaalsContact O-CG 3.3Å; N34-L38 WeakPolarHBondContact O-CG 3.32Å; N34-L38 PolarHBondContact O-N 2.91Å; N34-F63 WeakPolarHBondContact OD1-CA 3.19Å; N34-Y64 PolarHBondContact ND2-O 2.8Å; N34-Y64 PolarHBondContact OD1-N 3.21Å
35E77.4Confident71.7Confident71 Ų7166.6 Ų66.633%0.33233%0.334SS..Hα-helixtrans-64.7-45.3178-169.9-178.2153.300111.5R31 E32 L38 K39R31-E35 WeakPolarHBondContact O-CB 3.5Å; R31-E35 PolarHBondContact O-N 2.75Å; E32-E35 PolarHBondContact O-N 3.48Å; E35-L38 PolarHBondContact O-N 3.33Å; E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 2.8Å; E35-K39 WeakPolarHBondContact OE1-CE 3.43Å; E35-K39 IonicContact OE1-NZ 3.7Å; E35-K39 PolarHBondContact OE1-NZ 3.39Å
36N76.8Confident72.1Confident74 Ų7469.4 Ų69.440%0.39633%0.333SS..Hα-helixtrans-65.7-41.1177.6-73-27.7000111.7E32 K39 Q40E32-N36 WeakPolarHBondContact O-CB 3.43Å; E32-N36 VanDerWaalsContact O-CG 3.31Å; E32-N36 PolarHBondContact O-N 2.9Å; E32-N36 PolarHBondContact O-ND2 2.96Å; N36-K39 PolarHBondContact O-N 2.93Å; N36-Q40 WeakPolarHBondContact O-CG 3.43Å; N36-Q40 PolarHBondContact O-N 3.42Å
37S76.2Confident72.4Confident11 Ų1166.2 Ų66.28%0.07732%0.322CS..Hα-helixtrans-70.4-34.6178.1-59.30000112.4V33 N34 Q40 L41 T62 F63V33-S37 VanDerWaalsContact O-CB 3.23Å; V33-S37 WeakPolarHBondContact O-CB 3.34Å; V33-S37 PolarHBondContact O-N 2.91Å; V33-S37 PolarHBondContact O-OG 2.99Å; N34-S37 PolarHBondContact O-N 2.9Å; S37-Q40 PolarHBondContact O-N 2.73Å; S37-L41 WeakPolarHBondContact O-CB 3.36Å; S37-L41 PolarHBondContact O-N 3.23Å; S37-T62 PolarHBondContact OG-O 3.14Å; S37-F63 VanDerWaalsContact C-CZ 3.49Å; S37-F63 VanDerWaalsContact CB-CZ 3.49Å; S37-F63 WeakPolarHBondContact O-CZ 3.37Å
38L75.5Confident72.4Confident16 Ų1664.4 Ų64.48%0.08432%0.315CS..Hα-helixtrans-66.8-41.3173.5-82.7178.1000111.8F15 Y16 V19 N34 E35 Q40 L41 N42 F63F15-L38 HydrophobicContact CE1-CD2 4.13Å; Y16-L38 HydrophobicContact CD1-CD2 3.77Å; Y16-L38 HydrophobicContact CE1-CD2 3.71Å; V19-L38 HydrophobicContact CG2-CD1 4.19Å; V19-L38 HydrophobicContact CG2-CD2 3.78Å; V19-L38 HydrophobicContact CG2-CG 4.19Å; N34-L38 VanDerWaalsContact O-CB 3.27Å; N34-L38 WeakPolarHBondContact O-CB 3.13Å; N34-L38 VanDerWaalsContact O-CG 3.3Å; N34-L38 WeakPolarHBondContact O-CG 3.32Å; N34-L38 PolarHBondContact O-N 2.91Å; E35-L38 PolarHBondContact O-N 3.33Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-L41 PolarHBondContact O-N 2.88Å; L38-N42 WeakPolarHBondContact O-CB 3.38Å; L38-N42 VanDerWaalsContact O-CG 3.31Å; L38-N42 PolarHBondContact O-N 3.42Å; L38-F63 HydrophobicContact CB-CE1 4.48Å; L38-F63 HydrophobicContact CD2-CE1 3.95Å; L38-F63 HydrophobicContact CD2-CZ 4.44Å; L38-F63 HydrophobicContact CG-CE1 3.87Å
39K75.4Confident72.1Confident117 Ų11763.5 Ų63.551%0.50930%0.303SS..Hα-helixtrans-61.3-43.4174.1-74.5172.9-174.2166.70111.2E35 N36 G43E35-K39 WeakPolarHBondContact O-CG 3.41Å; E35-K39 PolarHBondContact O-N 2.8Å; E35-K39 WeakPolarHBondContact OE1-CE 3.43Å; E35-K39 IonicContact OE1-NZ 3.7Å; E35-K39 PolarHBondContact OE1-NZ 3.39Å; N36-K39 PolarHBondContact O-N 2.93Å; K39-G43 PolarHBondContact O-N 3.34Å
40Q72.1Confident71.7Confident100 Ų10061 Ų6147%0.46730%0.297SS..Hα-helixtrans-66-38.9176.8-71.9177.8-1.300112.4N36 S37 L38 Y44 L61N36-Q40 WeakPolarHBondContact O-CG 3.43Å; N36-Q40 PolarHBondContact O-N 3.42Å; S37-Q40 PolarHBondContact O-N 2.73Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; Q40-Y44 WeakPolarHBondContact O-CB 3.38Å; Q40-Y44 PolarHBondContact O-N 2.86Å; Q40-L61 HydrophobicContact CB-CD2 3.67Å
41L73.3Confident70.9Confident1 Ų165.6 Ų65.61%0.00533%0.331CS..Hα-helixtrans-64.8-48175.5-176.467.8000112F15 S37 L38 G43 Y44 M45 L61 F63 L90 V102F15-L41 HydrophobicContact CE1-CD2 3.7Å; F15-L41 HydrophobicContact CZ-CD2 4.39Å; S37-L41 WeakPolarHBondContact O-CB 3.36Å; S37-L41 PolarHBondContact O-N 3.23Å; L38-L41 PolarHBondContact O-N 2.88Å; L41-G43 VanDerWaalsContact C-N 3.35Å; L41-G43 PolarHBondContact O-N 3.45Å; L41-Y44 WeakPolarHBondContact O-CB 3.37Å; L41-Y44 PolarHBondContact O-N 3.38Å; L41-M45 HydrophobicContact CG-SD 4.48Å; L41-M45 WeakPolarHBondContact O-CG 3.19Å; L41-M45 PolarHBondContact O-N 3.27Å; L41-L61 HydrophobicContact CB-CD1 3.91Å; L41-L61 HydrophobicContact CD1-CD1 3.76Å; L41-L61 HydrophobicContact CG-CD1 4.42Å; L41-F63 HydrophobicContact CB-CZ 4.35Å; L41-F63 HydrophobicContact CD2-CZ 4.29Å; L41-L90 HydrophobicContact CD1-CD1 3.57Å; L41-V102 HydrophobicContact CD1-CG2 4.4Å
42N72.9Confident70Confident58 Ų5863.7 Ų63.731%0.3134%0.341SS..Hα-helixtrans-63.1-43178.7-71.3-12.1000110.9Y16 L38 Y44 M45 E46Y16-N42 PolarHBondContact OH-OD1 2.97Å; L38-N42 WeakPolarHBondContact O-CB 3.38Å; L38-N42 VanDerWaalsContact O-CG 3.31Å; L38-N42 PolarHBondContact O-N 3.42Å; N42-Y44 VanDerWaalsContact C-N 3.32Å; N42-Y44 PolarHBondContact O-N 3.44Å; N42-M45 PolarHBondContact O-N 3.29Å; N42-E46 WeakPolarHBondContact O-CG 3.46Å; N42-E46 PolarHBondContact O-N 3.3Å
43G71.6Confident68.9Low26 Ų2665.8 Ų65.827%0.26836%0.356SS..Hα-helixtrans-61.9-3817400000113K39 L41 N47K39-G43 PolarHBondContact O-N 3.34Å; L41-G43 VanDerWaalsContact C-N 3.35Å; L41-G43 PolarHBondContact O-N 3.45Å; G43-N47 WeakPolarHBondContact O-CB 3.23Å; G43-N47 PolarHBondContact O-N 2.69Å; G43-N47 VanDerWaalsContact O-N 3.11Å; G43-N47 PolarHBondContact O-ND2 3.19Å
44Y70.3Confident67.7Low4 Ų472.5 Ų72.52%0.01638%0.381CS..Hα-helixtrans-64.7-43.6174.2-174.3-91.8000111.6Q40 L41 N42 N47 L48 V56 I59 L90 T92 T98Q40-Y44 WeakPolarHBondContact O-CB 3.38Å; Q40-Y44 PolarHBondContact O-N 2.86Å; L41-Y44 WeakPolarHBondContact O-CB 3.37Å; L41-Y44 PolarHBondContact O-N 3.38Å; N42-Y44 VanDerWaalsContact C-N 3.32Å; N42-Y44 PolarHBondContact O-N 3.44Å; Y44-N47 PolarHBondContact O-N 3.2Å; Y44-L48 HydrophobicContact CD1-CD1 3.83Å; Y44-L48 HydrophobicContact CD1-CG 4.37Å; Y44-L48 HydrophobicContact CE1-CD1 3.45Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.45Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 WeakPolarHBondContact O-CG 3.4Å; Y44-L48 PolarHBondContact O-N 3.16Å; Y44-L48 VanDerWaalsContact O-N 3.09Å; Y44-V56 HydrophobicContact CD2-CB 4.47Å; Y44-V56 HydrophobicContact CD2-CG1 3.41Å; Y44-V56 VanDerWaalsContact CD2-CG1 3.41Å; Y44-V56 HydrophobicContact CE2-CB 3.76Å; Y44-V56 HydrophobicContact CE2-CG1 3.11Å; Y44-I59 HydrophobicContact CD2-CD1 3.86Å; Y44-I59 HydrophobicContact CD2-CG1 4.33Å; Y44-L90 HydrophobicContact CD1-CD1 3.99Å; Y44-L90 HydrophobicContact CE1-CB 4.1Å; Y44-L90 HydrophobicContact CE1-CD1 4.13Å; Y44-L90 HydrophobicContact CE2-CB 4.49Å; Y44-L90 HydrophobicContact CG-CD1 4.49Å; Y44-T92 PolarHBondContact OH-O 3.07Å; Y44-T98 HydrophobicContact CD1-CG2 4.44Å; Y44-T98 HydrophobicContact CE1-CG2 4.11Å
45M69.2Low66.4Low11 Ų1179.9 Ų79.95%0.05442%0.419CS..Hα-helixtrans-66.8-40177.7-71.1-175.865.600113.1A8 L12 L41 N42 N47 L48 Q49 V99A8-M45 HydrophobicContact CB-CE 4.09Å; L12-M45 HydrophobicContact CD1-CE 3.73Å; L12-M45 HydrophobicContact CD1-SD 3.56Å; L12-M45 VanDerWaalsContact CD1-SD 3.56Å; L41-M45 HydrophobicContact CG-SD 4.48Å; L41-M45 WeakPolarHBondContact O-CG 3.19Å; L41-M45 PolarHBondContact O-N 3.27Å; N42-M45 PolarHBondContact O-N 3.29Å; M45-N47 VanDerWaalsContact C-N 3.3Å; M45-N47 PolarHBondContact O-N 3.49Å; M45-L48 PolarHBondContact O-N 3.48Å; M45-Q49 WeakPolarHBondContact O-CG 3.4Å; M45-Q49 PolarHBondContact O-N 3.06Å; M45-Q49 VanDerWaalsContact O-N 3.14Å; M45-V99 HydrophobicContact CE-CG2 4.43Å
46E68.5Low65.3Low113 Ų11378.3 Ų78.353%0.52842%0.415SS..Hα-helixtrans-64-36.4175.1-74.6177-165.800112N42 Q49N42-E46 WeakPolarHBondContact O-CG 3.46Å; N42-E46 PolarHBondContact O-N 3.3Å; E46-Q49 PolarHBondContact O-N 3.32Å
47N68.1Low64.3Low106 Ų10682.5 Ų82.557%0.56743%0.432SS*.Hα-helixtrans-69-35.4175.5-72.5-29.4000112.4G43 Y44 M45 Q49G43-N47 WeakPolarHBondContact O-CB 3.23Å; G43-N47 PolarHBondContact O-N 2.69Å; G43-N47 VanDerWaalsContact O-N 3.11Å; G43-N47 PolarHBondContact O-ND2 3.19Å; Y44-N47 PolarHBondContact O-N 3.2Å; M45-N47 VanDerWaalsContact C-N 3.3Å; M45-N47 PolarHBondContact O-N 3.49Å; N47-Q49 VanDerWaalsContact C-N 3.29Å; N47-Q49 PolarHBondContact O-N 3.21Å
48L65.6Low63.5Low32 Ų3285.9 Ų85.917%0.16845%0.453CS..Hα-helixtrans-69.4-25.3173.6-71.8177.3000113.2Y44 M45 V56 I95Y44-L48 HydrophobicContact CD1-CD1 3.83Å; Y44-L48 HydrophobicContact CD1-CG 4.37Å; Y44-L48 HydrophobicContact CE1-CD1 3.45Å; Y44-L48 VanDerWaalsContact CE1-CD1 3.45Å; Y44-L48 HydrophobicContact CE1-CG 4.14Å; Y44-L48 WeakPolarHBondContact O-CG 3.4Å; Y44-L48 PolarHBondContact O-N 3.16Å; Y44-L48 VanDerWaalsContact O-N 3.09Å; M45-L48 PolarHBondContact O-N 3.48Å; L48-V56 HydrophobicContact CD2-CG2 3.95Å; L48-I95 HydrophobicContact CB-CD1 4.47Å; L48-I95 HydrophobicContact CB-CG1 3.96Å; L48-I95 HydrophobicContact CD1-CG1 4.45Å
49Q63.2Low63Low75 Ų7587.8 Ų87.835%0.3546%0.463SS..Hα-helixtrans-80.5-16.2-179.6-74.6173.111.300114A5 M45 E46 N47 P51 I95A5-Q49 VanDerWaalsContact CB-CD 3.5Å; M45-Q49 WeakPolarHBondContact O-CG 3.4Å; M45-Q49 PolarHBondContact O-N 3.06Å; M45-Q49 VanDerWaalsContact O-N 3.14Å; E46-Q49 PolarHBondContact O-N 3.32Å; N47-Q49 VanDerWaalsContact C-N 3.29Å; N47-Q49 PolarHBondContact O-N 3.21Å; Q49-P51 WeakPolarHBondContact O-CD 3.49Å; Q49-I95 HydrophobicContact CG-CD1 3.84Å
50K62.7Low62.7Low150 Ų15088.5 Ų88.565%0.65247%0.466SS*.SBendtrans-97.8107.1179-71.3178.7-178.3170.30110.2G52K50-G52 VanDerWaalsContact C-N 3.33Å; K50-G52 PolarHBondContact O-N 2.95Å
51P53.3Low62.8Low142 Ų14283.8 Ų83.892%0.92244%0.444SS*.  trans-77.485.8-178.930.9-32.2000109.6Q49Q49-P51 WeakPolarHBondContact O-CD 3.49Å
52G53.8Low62.7Low56 Ų5685.9 Ų85.958%0.57746%0.457SS*.SBendtrans165.198.2176.500000112K50K50-G52 VanDerWaalsContact C-N 3.33Å; K50-G52 PolarHBondContact O-N 2.95Å
53L49.6Very low62.8Low167 Ų16783.1 Ų83.187%0.87444%0.442SS*.SBendtrans81.189.5165.5-50.1168.1000116.6
54K50.5Low62.8Low192 Ų19285.2 Ų85.284%0.83544%0.443SS*.  158.8135.9118-82.8162.2-173.5-177.20110.2V56K54-V56 PolarHBondContact O-N 3.09Å; K54-V56 VanDerWaalsContact O-N 3.15Å
55L48Very low62.8Low156 Ų15685.5 Ų85.582%0.81744%0.444SS*.PPolyproline II helixtrans-57.1116.2165.6-79.8157.5000108Q57L55-Q57 PolarHBondContact O-N 3.49Å
56V55Low62.5Low38 Ų3892.2 Ų92.223%0.2347%0.469CS..PPolyproline II helixtrans-78.4117.9-176.1-1550000108.2Y44 L48 K54Y44-V56 HydrophobicContact CD2-CB 4.47Å; Y44-V56 HydrophobicContact CD2-CG1 3.41Å; Y44-V56 VanDerWaalsContact CD2-CG1 3.41Å; Y44-V56 HydrophobicContact CE2-CB 3.76Å; Y44-V56 HydrophobicContact CE2-CG1 3.11Å; L48-V56 HydrophobicContact CD2-CG2 3.95Å; K54-V56 PolarHBondContact O-N 3.09Å; K54-V56 VanDerWaalsContact O-N 3.15Å
57Q55.8Low61.9Low162 Ų16291.5 Ų91.576%0.75747%0.469SS*.PPolyproline II helixtrans-65143.7176-70.9-165.2-7.100109.9L55 I59L55-Q57 PolarHBondContact O-N 3.49Å; Q57-I59 PolarHBondContact O-N 3.44Å
58P59.4Low60.8Low81 Ų8193 Ų9353%0.52648%0.482SS..PPolyproline II helixtrans-66.6121.2-176.925.5-33.2000111.4I89 L90 H91P58-I89 HydrophobicContact CB-CG2 3.94Å; P58-L90 WeakPolarHBondContact CA-O 3.48Å; P58-H91 WeakPolarHBondContact CB-ND1 3.18Å
59I64.3Low59.6Low56 Ų5699.5 Ų99.529%0.28751%0.509SS..EExtended strand (participates in β ladder)trans-99.9126.1-180-55.9-179.3000108.6Y44 Q57 L61 I89 L90Y44-I59 HydrophobicContact CD2-CD1 3.86Å; Y44-I59 HydrophobicContact CD2-CG1 4.33Å; Q57-I59 PolarHBondContact O-N 3.44Å; I59-L61 HydrophobicContact CG2-CD2 3.74Å; I59-L61 HydrophobicContact CG2-CG 4.05Å; I59-I89 WeakPolarHBondContact O-CA 3.49Å; I59-L90 PolarHBondContact O-N 3.38Å
60K70.2Confident58.7Low133 Ų133105.4 Ų105.458%0.57854%0.536SS*.EExtended strand (participates in β ladder)trans-85113170-177.9174.9179.9-179.50108.6I89K60-I89 HydrophobicContact CB-CG1 4.06Å; K60-I89 HydrophobicContact CB-CG2 4.44Å; K60-I89 HydrophobicContact CD-CG1 4.46Å; K60-I89 HydrophobicContact CG-CG1 4.03Å
61L72.6Confident57Low1 Ų1103.4 Ų103.41%0.00554%0.541CS..EExtended strand (participates in β ladder)trans-104.3142.9176.5-63.5174.1000109.5Q40 L41 I59 F63 S87 F88 L90Q40-L61 HydrophobicContact CB-CD2 3.67Å; L41-L61 HydrophobicContact CB-CD1 3.91Å; L41-L61 HydrophobicContact CD1-CD1 3.76Å; L41-L61 HydrophobicContact CG-CD1 4.42Å; I59-L61 HydrophobicContact CG2-CD2 3.74Å; I59-L61 HydrophobicContact CG2-CG 4.05Å; L61-F63 HydrophobicContact CB-CD2 4.31Å; L61-F63 HydrophobicContact CB-CE2 3.71Å; L61-F63 HydrophobicContact CB-CZ 4.46Å; L61-F63 HydrophobicContact CD1-CE2 4.1Å; L61-F63 HydrophobicContact CD1-CZ 4.42Å; L61-F63 HydrophobicContact CG-CE2 4.47Å; L61-S87 VanDerWaalsContact O-CA 3.26Å; L61-S87 WeakPolarHBondContact O-CA 3.32Å; L61-F88 PolarHBondContact N-O 3.44Å; L61-F88 PolarHBondContact O-N 2.97Å; L61-L90 HydrophobicContact CD1-CD1 3.75Å; L61-L90 HydrophobicContact CD1-CG 4.48Å
62T72.3Confident56.4Low44 Ų44103 Ų10327%0.2754%0.536SS..EExtended strand (participates in β ladder)trans-126.5121177-53.30000108.9S37 V86S37-T62 PolarHBondContact OG-O 3.14Å; T62-V86 WeakPolarHBondContact CA-O 3.28Å
63F74.6Confident55.3Low0 Ų0109.4 Ų109.40%055%0.551CS.*EExtended strand (participates in β ladder)trans-119.2143.2178.5-68.2-80.5000110.6F15 V19 N34 S37 L38 L41 L61 I65 S85 V86 F88F15-F63 HydrophobicContact CZ-CD1 4.2Å; F15-F63 AromaticContact CZ-CD2 3.97Å; F15-F63 HydrophobicContact CZ-CD2 3.97Å; F15-F63 HydrophobicContact CZ-CE1 4.2Å; F15-F63 AromaticContact CZ-CE2 3.96Å; F15-F63 HydrophobicContact CZ-CE2 3.96Å; F15-F63 HydrophobicContact CZ-CG 4.08Å; F15-F63 HydrophobicContact CZ-CZ 4.07Å; V19-F63 HydrophobicContact CB-CD1 4.35Å; V19-F63 HydrophobicContact CG1-CB 4.28Å; V19-F63 HydrophobicContact CG1-CD1 4.45Å; V19-F63 HydrophobicContact CG2-CD1 4.38Å; N34-F63 WeakPolarHBondContact OD1-CA 3.19Å; S37-F63 VanDerWaalsContact C-CZ 3.49Å; S37-F63 VanDerWaalsContact CB-CZ 3.49Å; S37-F63 WeakPolarHBondContact O-CZ 3.37Å; L38-F63 HydrophobicContact CB-CE1 4.48Å; L38-F63 HydrophobicContact CD2-CE1 3.95Å; L38-F63 HydrophobicContact CD2-CZ 4.44Å; L38-F63 HydrophobicContact CG-CE1 3.87Å; L41-F63 HydrophobicContact CB-CZ 4.35Å; L41-F63 HydrophobicContact CD2-CZ 4.29Å; L61-F63 HydrophobicContact CB-CD2 4.31Å; L61-F63 HydrophobicContact CB-CE2 3.71Å; L61-F63 HydrophobicContact CB-CZ 4.46Å; L61-F63 HydrophobicContact CD1-CE2 4.1Å; L61-F63 HydrophobicContact CD1-CZ 4.42Å; L61-F63 HydrophobicContact CG-CE2 4.47Å; F63-I65 HydrophobicContact CB-CG1 4.45Å; F63-S85 WeakPolarHBondContact O-CA 3.32Å; F63-V86 PolarHBondContact N-O 2.84Å; F63-V86 PolarHBondContact O-N 3.12Å; F63-F88 AromaticContact CD2-CE1 3.95Å; F63-F88 HydrophobicContact CD2-CE1 3.95Å; F63-F88 HydrophobicContact CD2-CZ 4.06Å; F63-F88 HydrophobicContact CE2-CE1 4.33Å; F63-F88 AromaticContact CE2-CZ 3.97Å; F63-F88 HydrophobicContact CE2-CZ 3.97Å
64Y71.9Confident54.7Low71 Ų71110.6 Ų110.628%0.27855%0.549SS..EExtended strand (participates in β ladder)trans-95.4121167-66.8-82.1000108.8F24 E30 V33 N34F24-Y64 VanDerWaalsContact CZ-O 3.26Å; F24-Y64 WeakPolarHBondContact CZ-O 3.46Å; E30-Y64 HydrophobicContact CB-CD2 4.04Å; E30-Y64 HydrophobicContact CB-CG 4.26Å; E30-Y64 HydrophobicContact CG-CD1 4.39Å; E30-Y64 HydrophobicContact CG-CD2 4.14Å; E30-Y64 HydrophobicContact CG-CE2 4.31Å; E30-Y64 HydrophobicContact CG-CG 4.18Å; V33-Y64 HydrophobicContact CB-CD2 4.34Å; V33-Y64 HydrophobicContact CB-CE2 4.05Å; V33-Y64 HydrophobicContact CG1-CD2 4.19Å; V33-Y64 HydrophobicContact CG1-CE2 3.84Å; V33-Y64 HydrophobicContact CG2-CE2 4.44Å; N34-Y64 PolarHBondContact ND2-O 2.8Å; N34-Y64 PolarHBondContact OD1-N 3.21Å
65I70.4Confident53.6Low10 Ų10109.9 Ų109.95%0.05155%0.549CS..EExtended strand (participates in β ladder)trans-116.9137.4-177.3-48.7-175.6000108.5A18 V19 F63 F83 R84 V86 C106A18-I65 HydrophobicContact CB-CG2 4.09Å; V19-I65 HydrophobicContact CG1-CD1 4.47Å; V19-I65 HydrophobicContact CG1-CG1 3.88Å; F63-I65 HydrophobicContact CB-CG1 4.45Å; I65-F83 CarbonylContact O-C 3.43Å; I65-F83 VanDerWaalsContact O-CA 3.29Å; I65-F83 WeakPolarHBondContact O-CA 3.39Å; I65-R84 HydrophobicContact CB-CG 3.97Å; I65-R84 PolarHBondContact N-O 2.91Å; I65-R84 PolarHBondContact O-N 2.85Å; I65-V86 HydrophobicContact CD1-CB 4.14Å; I65-V86 HydrophobicContact CD1-CG2 3.62Å; I65-V86 HydrophobicContact CG1-CG2 4.13Å; I65-C106 HydrophobicContact CD1-CB 3.77Å; I65-C106 VanDerWaalsContact CD1-SG 3.52Å
66R62.5Low53.5Low151 Ų151106.7 Ų106.757%0.5754%0.538SS*.EExtended strand (participates in β ladder)trans-81.6123.5175.6-156.8174.3-173.9176.60.5109.9T68 F83R66-T68 PolarHBondContact O-N 2.91Å; R66-F83 HydrophobicContact CB-CD1 4.18Å; R66-F83 HydrophobicContact CB-CE1 4.36Å; R66-F83 HydrophobicContact CG-CD1 4.08Å; R66-F83 HydrophobicContact CG-CE1 3.97Å
67D55.2Low52.5Low99 Ų99112.1 Ų112.153%0.52957%0.565SS.*  trans-72.8121.8175.7-126.4-27.3000108.9
68T45.7Very low51.3Low136 Ų136111.7 Ų111.783%0.83457%0.567SS**  trans-103.88-178.917.10000112.5R66R66-T68 PolarHBondContact O-N 2.91Å
69K41.7Very low50.4Low170 Ų170114.6 Ų114.674%0.73958%0.583SS**  trans-95.9108.9172.8-65.7-173.9179.8-178.60108.9S71K69-S71 VanDerWaalsContact C-N 3.34Å; K69-S71 PolarHBondContact O-N 3.32Å
70E42.9Very low49.1Very low199 Ų199116.9 Ų116.993%0.9360%0.604SS**  trans-6098160.9-73.8-178156.500108.4
71S28.2Very low47.9Very low108 Ų108114 Ų11476%0.75560%0.6SS**  trans-93.297.7162.2480000108.2K69 E73K69-S71 VanDerWaalsContact C-N 3.34Å; K69-S71 PolarHBondContact O-N 3.32Å; S71-E73 PolarHBondContact O-N 2.82Å; S71-E73 VanDerWaalsContact O-N 3.17Å
72T38.8Very low47Very low132 Ų132116.5 Ų116.581%0.8163%0.626SS**  trans-44111.2152.130.10000109.9
73E31.1Very low46.4Very low191 Ų191116.3 Ų116.389%0.89362%0.621SS**  172.9148.1128.4-92.1174.2-16800111.3S71S71-E73 PolarHBondContact O-N 2.82Å; S71-E73 VanDerWaalsContact O-N 3.17Å
74K36.8Very low45.9Very low193 Ų193119.3 Ų119.384%0.83963%0.633SS**  trans-84.7142.9-163.9-59.8169.6177.5175.80112.4
75Q28.3Very low45.5Very low176 Ų176119.8 Ų119.882%0.82265%0.646SS**  171.3155.2119.3-90-71.3-61.700110.7
76P45.8Very low45.2Very low90 Ų90120.1 Ų120.158%0.58465%0.649SS**  trans-96.4139.6-156.637.3-31.3000112.6
77D33.3Very low45.3Very low151 Ų151116.1 Ų116.181%0.80764%0.644SS**  trans163.9138.4131.8-82.3-25.4000108.8
78I31.8Very low45.8Very low154 Ų154112.2 Ų112.279%0.7962%0.622SS**SBendtrans81.9112.6-170.9-52.7171.3000112.9S80I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.46Å; I78-S80 PolarHBondContact O-OG 3.29Å
79V40.8Very low46.8Very low142 Ų142109.4 Ų109.486%0.86160%0.602SS**  trans-53.991171.6-176.30000108.8S81V79-S81 PolarHBondContact O-N 2.73Å
80S36.5Very low47.8Very low104 Ų104101.4 Ų101.473%0.72757%0.567SS**  trans-83.497.9177.9-66.50000107.1I78 G82I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.46Å; I78-S80 PolarHBondContact O-OG 3.29Å; S80-G82 PolarHBondContact O-N 3.4Å
81S44.2Very low48.5Very low72 Ų7297.8 Ų97.850%0.50355%0.55SS..  trans-43.2123.7162.2-33.70000107.4V79 F83V79-S81 PolarHBondContact O-N 2.73Å; S81-F83 PolarHBondContact O-N 3.29Å
82G53.8Low49.9Very low53 Ų5394.7 Ų94.755%0.54653%0.526SS..SBendtrans-68.342.3-172.800000115.2S80S80-G82 PolarHBondContact O-N 3.4Å
83F59.6Low50.8Low40 Ų4093.4 Ų93.418%0.17551%0.514CS..EExtended strand (participates in β ladder)trans-131.9126.5-174.7-51.8-67.9000109.1F24 F27 I65 R66 S81F24-F83 HydrophobicContact CD1-CD1 4.44Å; F24-F83 HydrophobicContact CD1-CE1 4.09Å; F24-F83 HydrophobicContact CD1-CZ 4.43Å; F24-F83 AromaticContact CE1-CD1 3.63Å; F24-F83 HydrophobicContact CE1-CD1 3.63Å; F24-F83 AromaticContact CE1-CE1 3.62Å; F24-F83 HydrophobicContact CE1-CE1 3.62Å; F24-F83 HydrophobicContact CE1-CG 4.36Å; F24-F83 HydrophobicContact CE1-CZ 4.36Å; F24-F83 HydrophobicContact CZ-CD1 4.43Å; F24-F83 HydrophobicContact CZ-CE1 4.5Å; F27-F83 HydrophobicContact CD1-CE2 4.4Å; F27-F83 AromaticContact CD2-CE2 3.62Å; F27-F83 HydrophobicContact CD2-CE2 3.62Å; F27-F83 AromaticContact CD2-CZ 3.61Å; F27-F83 HydrophobicContact CD2-CZ 3.61Å; F27-F83 HydrophobicContact CE1-CE2 4.26Å; F27-F83 AromaticContact CE2-CE2 3.45Å; F27-F83 HydrophobicContact CE2-CE2 3.45Å; F27-F83 VanDerWaalsContact CE2-CE2 3.45Å; F27-F83 AromaticContact CE2-CZ 3.52Å; F27-F83 HydrophobicContact CE2-CZ 3.52Å; F27-F83 HydrophobicContact CG-CE2 4.11Å; F27-F83 HydrophobicContact CG-CZ 4.46Å; F27-F83 AromaticContact CZ-CE2 3.8Å; F27-F83 HydrophobicContact CZ-CE2 3.8Å; F27-F83 HydrophobicContact CZ-CZ 4.3Å; I65-F83 CarbonylContact O-C 3.43Å; I65-F83 VanDerWaalsContact O-CA 3.29Å; I65-F83 WeakPolarHBondContact O-CA 3.39Å; R66-F83 HydrophobicContact CB-CD1 4.18Å; R66-F83 HydrophobicContact CB-CE1 4.36Å; R66-F83 HydrophobicContact CG-CD1 4.08Å; R66-F83 HydrophobicContact CG-CE1 3.97Å; S81-F83 PolarHBondContact O-N 3.29Å
84R64.8Low52.2Low64 Ų6487.5 Ų87.524%0.24249%0.489CS..EExtended strand (participates in β ladder)trans-87.6130.8167.673.8-176.5-115.8-133.48109I65 V86 S105 C106 S107I65-R84 HydrophobicContact CB-CG 3.97Å; I65-R84 PolarHBondContact N-O 2.91Å; I65-R84 PolarHBondContact O-N 2.85Å; R84-V86 HydrophobicContact CG-CG2 3.93Å; R84-S105 PolarHBondContact NH2-O 2.82Å; R84-C106 PolarHBondContact NH1-O 3.47Å; R84-C106 PolarHBondContact NH2-O 3.28Å; R84-S107 PolarHBondContact NH2-OG 3.3Å
85S63.3Low53.4Low81 Ų8179.5 Ų79.557%0.56646%0.455SS*.EExtended strand (participates in β ladder)trans-84.9126.1167.958.90000108.9F63F63-S85 WeakPolarHBondContact O-CA 3.32Å
86V64.5Low54.9Low16 Ų1673.5 Ų73.510%0.09743%0.428CS..EExtended strand (participates in β ladder)trans-118.4113.1176.3-171.60000107.6T62 F63 I65 R84 F88 S105T62-V86 WeakPolarHBondContact CA-O 3.28Å; F63-V86 PolarHBondContact N-O 2.84Å; F63-V86 PolarHBondContact O-N 3.12Å; I65-V86 HydrophobicContact CD1-CB 4.14Å; I65-V86 HydrophobicContact CD1-CG2 3.62Å; I65-V86 HydrophobicContact CG1-CG2 4.13Å; R84-V86 HydrophobicContact CG-CG2 3.93Å; V86-F88 HydrophobicContact CG1-CD1 3.98Å; V86-S105 VanDerWaalsContact CG1-O 3.27Å; V86-S105 WeakPolarHBondContact CG1-O 3.3Å
87S63.9Low55.7Low68 Ų6871.5 Ų71.548%0.47642%0.416SS..EExtended strand (participates in β ladder)trans-108.4123.5170.871.10000110L61L61-S87 VanDerWaalsContact O-CA 3.26Å; L61-S87 WeakPolarHBondContact O-CA 3.32Å
88F66.6Low57.1Low17 Ų1764.4 Ų64.48%0.07538%0.378CS..EExtended strand (participates in β ladder)trans-135.5157.6174.558.5-94.4000110L61 F63 V86 L90 V102L61-F88 PolarHBondContact N-O 3.44Å; L61-F88 PolarHBondContact O-N 2.97Å; F63-F88 AromaticContact CD2-CE1 3.95Å; F63-F88 HydrophobicContact CD2-CE1 3.95Å; F63-F88 HydrophobicContact CD2-CZ 4.06Å; F63-F88 HydrophobicContact CE2-CE1 4.33Å; F63-F88 AromaticContact CE2-CZ 3.97Å; F63-F88 HydrophobicContact CE2-CZ 3.97Å; V86-F88 HydrophobicContact CG1-CD1 3.98Å; F88-L90 HydrophobicContact CD2-CD2 3.79Å; F88-L90 HydrophobicContact CD2-CG 4.18Å; F88-L90 HydrophobicContact CE2-CD1 4.4Å; F88-L90 HydrophobicContact CE2-CD2 3.65Å; F88-L90 HydrophobicContact CE2-CG 3.97Å; F88-V102 HydrophobicContact CE2-CB 4.45Å; F88-V102 HydrophobicContact CE2-CG2 3.61Å; F88-V102 HydrophobicContact CZ-CB 4.24Å; F88-V102 HydrophobicContact CZ-CG1 4.02Å; F88-V102 HydrophobicContact CZ-CG2 3.76Å
89I65.3Low58.6Low77 Ų7757.1 Ų57.140%0.39534%0.341SS..EExtended strand (participates in β ladder)trans-112.7126.7-177.4-43175.5000108.3P58 I59 K60 H91P58-I89 HydrophobicContact CB-CG2 3.94Å; I59-I89 WeakPolarHBondContact O-CA 3.49Å; K60-I89 HydrophobicContact CB-CG1 4.06Å; K60-I89 HydrophobicContact CB-CG2 4.44Å; K60-I89 HydrophobicContact CD-CG1 4.46Å; K60-I89 HydrophobicContact CG-CG1 4.03Å; I89-H91 WeakPolarHBondContact CB-CE1 3.3Å; I89-H91 WeakPolarHBondContact CG2-CE1 3.45Å; I89-H91 WeakPolarHBondContact CG2-ND1 3.2Å
90L63.4Low59.6Low1 Ų153.5 Ų53.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-88.1110179.1-65.6-179.7000109.3L41 Y44 P58 I59 L61 F88 T98 V102L41-L90 HydrophobicContact CD1-CD1 3.57Å; Y44-L90 HydrophobicContact CD1-CD1 3.99Å; Y44-L90 HydrophobicContact CE1-CB 4.1Å; Y44-L90 HydrophobicContact CE1-CD1 4.13Å; Y44-L90 HydrophobicContact CE2-CB 4.49Å; Y44-L90 HydrophobicContact CG-CD1 4.49Å; P58-L90 WeakPolarHBondContact CA-O 3.48Å; I59-L90 PolarHBondContact O-N 3.38Å; L61-L90 HydrophobicContact CD1-CD1 3.75Å; L61-L90 HydrophobicContact CD1-CG 4.48Å; F88-L90 HydrophobicContact CD2-CD2 3.79Å; F88-L90 HydrophobicContact CD2-CG 4.18Å; F88-L90 HydrophobicContact CE2-CD1 4.4Å; F88-L90 HydrophobicContact CE2-CD2 3.65Å; F88-L90 HydrophobicContact CE2-CG 3.97Å; L90-T98 HydrophobicContact CD1-CG2 4.11Å; L90-T98 HydrophobicContact CD2-CG2 3.88Å; L90-V102 HydrophobicContact CD2-CG2 4.03Å
91H57.8Low60.9Low124 Ų12452.1 Ų52.157%0.57430%0.3SS*.  trans-108.1-5.5-174.1-60.1-44.2000114.1P58 I89P58-H91 WeakPolarHBondContact CB-ND1 3.18Å; I89-H91 WeakPolarHBondContact CB-CE1 3.3Å; I89-H91 WeakPolarHBondContact CG2-CE1 3.45Å; I89-H91 WeakPolarHBondContact CG2-ND1 3.2Å
92T57.1Low62Low42 Ų4248.8 Ų48.826%0.25828%0.277SS..  trans-112.5134-160.236.90000114.1Y44 D94 T98Y44-T92 PolarHBondContact OH-O 3.07Å; T92-D94 PolarHBondContact O-N 3.22Å; T92-T98 PolarHBondContact O-OG1 3.44Å; T92-T98 PolarHBondContact OG1-OG1 3.24Å
93N57.3Low62.5Low105 Ų10546.6 Ų46.656%0.56125%0.253SS*.SBendtrans-79.19.8178.5-69.7-26.2000114.3
94D61.9Low62.7Low67 Ų6748.9 Ų48.936%0.35827%0.27SS..  trans-122.9136-177.3176.343.4000111.3T92 S97 T98T92-D94 PolarHBondContact O-N 3.22Å; D94-S97 PolarHBondContact OD2-N 2.95Å; D94-S97 PolarHBondContact OD2-OG 3.44Å; D94-T98 WeakPolarHBondContact O-CB 3.24Å; D94-T98 PolarHBondContact O-N 2.84Å; D94-T98 VanDerWaalsContact O-N 3.08Å; D94-T98 PolarHBondContact O-OG1 3.37Å
95I61.9Low62.5Low26 Ų2647.9 Ų47.913%0.13327%0.273CS..Hα-helixtrans-70.3-41.2-171-61.8170.9000110.4A8 L48 Q49 T98 V99A8-I95 HydrophobicContact CB-CG2 4.06Å; L48-I95 HydrophobicContact CB-CD1 4.47Å; L48-I95 HydrophobicContact CB-CG1 3.96Å; L48-I95 HydrophobicContact CD1-CG1 4.45Å; Q49-I95 HydrophobicContact CG-CD1 3.84Å; I95-T98 PolarHBondContact O-N 3.1Å; I95-V99 VanDerWaalsContact O-CG2 3.28Å; I95-V99 WeakPolarHBondContact O-CG2 3.29Å; I95-V99 PolarHBondContact O-N 3.4Å
96L60.3Low62.4Low49 Ų4944.1 Ų44.126%0.25725%0.246SC..Hα-helixtrans-61.9-50.2178.8-92.5161.3000111.6L3 T98 V99 M100 M113L3-L96 HydrophobicContact CB-CG 4.4Å; L3-L96 HydrophobicContact CD1-CD1 4.46Å; L3-L96 HydrophobicContact CD1-CD2 3.11Å; L3-L96 HydrophobicContact CD1-CG 3.52Å; L3-L96 HydrophobicContact CD2-CD2 4.37Å; L3-L96 HydrophobicContact CG-CD1 4.09Å; L3-L96 HydrophobicContact CG-CD2 3.53Å; L3-L96 HydrophobicContact CG-CG 3.65Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.02Å; L96-V99 PolarHBondContact O-N 3.12Å; L96-M100 PolarHBondContact O-N 2.96Å; L96-M113 HydrophobicContact CD2-CE 4.06Å
97S61.8Low62Low48 Ų4847.2 Ų47.234%0.33627%0.269SS..Hα-helixtrans-62.9-36.7179-56.20000112.2D94 N101D94-S97 PolarHBondContact OD2-N 2.95Å; D94-S97 PolarHBondContact OD2-OG 3.44Å; S97-N101 VanDerWaalsContact O-CB 3.32Å; S97-N101 WeakPolarHBondContact O-CB 3.35Å; S97-N101 VanDerWaalsContact O-CG 3.28Å; S97-N101 PolarHBondContact O-N 2.92Å; S97-N101 PolarHBondContact O-ND2 3.06Å
98T62.1Low61.8Low2 Ų246.1 Ų46.11%0.01226%0.257CS..Hα-helixtrans-67.6-44.6176.5-59.80000111.6Y44 L90 T92 D94 I95 L96 N101 V102Y44-T98 HydrophobicContact CD1-CG2 4.44Å; Y44-T98 HydrophobicContact CE1-CG2 4.11Å; L90-T98 HydrophobicContact CD1-CG2 4.11Å; L90-T98 HydrophobicContact CD2-CG2 3.88Å; T92-T98 PolarHBondContact O-OG1 3.44Å; T92-T98 PolarHBondContact OG1-OG1 3.24Å; D94-T98 WeakPolarHBondContact O-CB 3.24Å; D94-T98 PolarHBondContact O-N 2.84Å; D94-T98 VanDerWaalsContact O-N 3.08Å; D94-T98 PolarHBondContact O-OG1 3.37Å; I95-T98 PolarHBondContact O-N 3.1Å; L96-T98 VanDerWaalsContact C-N 3.3Å; L96-T98 PolarHBondContact O-N 3.02Å; T98-N101 PolarHBondContact O-N 3.32Å; T98-V102 WeakPolarHBondContact O-CG2 3.22Å; T98-V102 PolarHBondContact O-N 3.31Å
99V63.3Low61.2Low1 Ų149.9 Ų49.91%0.00628%0.283CS..Hα-helixtrans-64.8-42.2176.9170.80000111.2A8 A11 L12 M45 I95 L96 V102 L103 M113A8-V99 HydrophobicContact CB-CG2 4.25Å; A11-V99 HydrophobicContact CB-CG1 4.2Å; L12-V99 HydrophobicContact CD1-CG2 4.06Å; L12-V99 HydrophobicContact CD2-CB 4.47Å; L12-V99 HydrophobicContact CD2-CG1 3.9Å; L12-V99 HydrophobicContact CD2-CG2 4.41Å; L12-V99 HydrophobicContact CG-CG1 4.05Å; L12-V99 HydrophobicContact CG-CG2 4.14Å; M45-V99 HydrophobicContact CE-CG2 4.43Å; I95-V99 VanDerWaalsContact O-CG2 3.28Å; I95-V99 WeakPolarHBondContact O-CG2 3.29Å; I95-V99 PolarHBondContact O-N 3.4Å; L96-V99 PolarHBondContact O-N 3.12Å; V99-V102 PolarHBondContact O-N 3.47Å; V99-L103 HydrophobicContact CG1-CD1 3.77Å; V99-L103 HydrophobicContact CG1-CG 4.41Å; V99-L103 WeakPolarHBondContact O-CB 3.44Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 2.85Å; V99-M113 HydrophobicContact CG1-SD 4.45Å
100M62.7Low60.7Low66 Ų6648 Ų4833%0.32528%0.275SS..Hα-helixtrans-65.2-41.4175.6-76.4-165.3170.100112.4L96 V102 L103 T104 V110 M113L96-M100 PolarHBondContact O-N 2.96Å; M100-V102 VanDerWaalsContact C-N 3.34Å; M100-V102 PolarHBondContact O-N 2.99Å; M100-L103 PolarHBondContact O-N 3.27Å; M100-T104 WeakPolarHBondContact O-CB 3.37Å; M100-T104 PolarHBondContact O-N 3.47Å; M100-T104 PolarHBondContact O-OG1 3.02Å; M100-V110 HydrophobicContact CE-CG1 4.14Å; M100-V110 HydrophobicContact CG-CG1 4.27Å; M100-M113 HydrophobicContact CE-CB 4.45Å
101N62.9Low60.1Low76 Ų7654.9 Ų54.941%0.40631%0.307SS..Hα-helixtrans-63.4-39.5176-81-25.5000112.1S97 T98 S105S97-N101 VanDerWaalsContact O-CB 3.32Å; S97-N101 WeakPolarHBondContact O-CB 3.35Å; S97-N101 VanDerWaalsContact O-CG 3.28Å; S97-N101 PolarHBondContact O-N 2.92Å; S97-N101 PolarHBondContact O-ND2 3.06Å; T98-N101 PolarHBondContact O-N 3.32Å; N101-S105 WeakPolarHBondContact O-CB 3.35Å; N101-S105 PolarHBondContact O-N 3.33Å; N101-S105 PolarHBondContact O-OG 3.36Å
102V66.8Low59.8Low1 Ų156.4 Ų56.41%0.00631%0.314CS..Hα-helixtrans-65.7-50.4176.1173.50000110.8L12 F15 L41 F88 L90 T98 V99 M100 T104 S105 C106L12-V102 HydrophobicContact CD2-CB 4.38Å; L12-V102 HydrophobicContact CD2-CG1 4.07Å; F15-V102 HydrophobicContact CD1-CG1 4.21Å; F15-V102 HydrophobicContact CD2-CG1 4.02Å; F15-V102 HydrophobicContact CE1-CG1 4.2Å; F15-V102 HydrophobicContact CE2-CG1 4.03Å; F15-V102 HydrophobicContact CG-CG1 4.11Å; F15-V102 HydrophobicContact CZ-CG1 4.11Å; L41-V102 HydrophobicContact CD1-CG2 4.4Å; F88-V102 HydrophobicContact CE2-CB 4.45Å; F88-V102 HydrophobicContact CE2-CG2 3.61Å; F88-V102 HydrophobicContact CZ-CB 4.24Å; F88-V102 HydrophobicContact CZ-CG1 4.02Å; F88-V102 HydrophobicContact CZ-CG2 3.76Å; L90-V102 HydrophobicContact CD2-CG2 4.03Å; T98-V102 WeakPolarHBondContact O-CG2 3.22Å; T98-V102 PolarHBondContact O-N 3.31Å; V99-V102 PolarHBondContact O-N 3.47Å; M100-V102 VanDerWaalsContact C-N 3.34Å; M100-V102 PolarHBondContact O-N 2.99Å; V102-T104 PolarHBondContact O-N 2.95Å; V102-S105 PolarHBondContact O-N 2.97Å; V102-C106 WeakPolarHBondContact O-CB 3.44Å; V102-C106 PolarHBondContact O-N 3Å; V102-C106 PolarHBondContact O-SG 3.19Å
103L65.4Low59.5Low8 Ų856.1 Ų56.14%0.04231%0.311CS..Hα-helixtrans-64.5-40.8-178.2-70.5171.2000112.2L12 F15 V99 M100 C106 S107 L108 V110L12-L103 HydrophobicContact CD2-CD2 4.28Å; L12-L103 HydrophobicContact CD2-CG 4.18Å; F15-L103 HydrophobicContact CB-CD2 4.27Å; V99-L103 HydrophobicContact CG1-CD1 3.77Å; V99-L103 HydrophobicContact CG1-CG 4.41Å; V99-L103 WeakPolarHBondContact O-CB 3.44Å; V99-L103 VanDerWaalsContact O-CG 3.31Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 2.85Å; M100-L103 PolarHBondContact O-N 3.27Å; L103-C106 CarbonylContact O-C 3.6Å; L103-C106 PolarHBondContact O-N 2.84Å; L103-S107 PolarHBondContact O-N 3.35Å; L103-S107 VanDerWaalsContact O-N 3.17Å; L103-L108 HydrophobicContact CD2-CB 4.29Å; L103-L108 HydrophobicContact CD2-CD1 4.19Å; L103-L108 PolarHBondContact O-N 3.45Å; L103-V110 HydrophobicContact CB-CG2 4.36Å
104T64.3Low59Low87 Ų8757.9 Ų57.953%0.53432%0.316SS..Hα-helixtrans-67.7-44176.9-52.10000111.2M100 V102 C106 S107M100-T104 WeakPolarHBondContact O-CB 3.37Å; M100-T104 PolarHBondContact O-N 3.47Å; M100-T104 PolarHBondContact O-OG1 3.02Å; V102-T104 PolarHBondContact O-N 2.95Å; T104-C106 PolarHBondContact O-N 2.77Å; T104-S107 PolarHBondContact O-N 3.38Å
105S60.9Low58Low44 Ų4464 Ų6431%0.30833%0.334SS..Hα-helixtrans-64.1-27.1176.4-60.10000112.5R84 V86 N101 V102R84-S105 PolarHBondContact NH2-O 2.82Å; V86-S105 VanDerWaalsContact CG1-O 3.27Å; V86-S105 WeakPolarHBondContact CG1-O 3.3Å; N101-S105 WeakPolarHBondContact O-CB 3.35Å; N101-S105 PolarHBondContact O-N 3.33Å; N101-S105 PolarHBondContact O-OG 3.36Å; V102-S105 PolarHBondContact O-N 2.97Å
106C59.4Low57.1Low1 Ų169.1 Ų69.11%0.00736%0.357CS..THydrogen-bonded Turntrans-90.73.4176.5-60.50000113.5F15 I65 R84 V102 L103 T104 L108F15-C106 HydrophobicContact CD2-CB 4.15Å; F15-C106 VanDerWaalsContact CD2-SG 3.52Å; F15-C106 WeakPolarHBondContact CE2-SG 3.44Å; I65-C106 HydrophobicContact CD1-CB 3.77Å; I65-C106 VanDerWaalsContact CD1-SG 3.52Å; R84-C106 PolarHBondContact NH1-O 3.47Å; R84-C106 PolarHBondContact NH2-O 3.28Å; V102-C106 WeakPolarHBondContact O-CB 3.44Å; V102-C106 PolarHBondContact O-N 3Å; V102-C106 PolarHBondContact O-SG 3.19Å; L103-C106 CarbonylContact O-C 3.6Å; L103-C106 PolarHBondContact O-N 2.84Å; T104-C106 PolarHBondContact O-N 2.77Å; C106-L108 VanDerWaalsContact C-N 3.25Å; C106-L108 HydrophobicContact CB-CD1 4.03Å; C106-L108 HydrophobicContact CB-CG 4.22Å; C106-L108 PolarHBondContact O-N 2.93Å
107S57Low56.1Low82 Ų8275.3 Ų75.357%0.57338%0.384SS*.THydrogen-bonded Turntrans55.436.9179.4-45.10000113.7R84 L103 T104R84-S107 PolarHBondContact NH2-OG 3.3Å; L103-S107 PolarHBondContact O-N 3.35Å; L103-S107 VanDerWaalsContact O-N 3.17Å; T104-S107 PolarHBondContact O-N 3.38Å
108L59.8Low54.9Low45 Ų4582.6 Ų82.624%0.23641%0.41CS..  trans-101145177.9-66.6170.3000110.3F15 L103 C106 V110F15-L108 HydrophobicContact CB-CD1 4.04Å; L103-L108 HydrophobicContact CD2-CB 4.29Å; L103-L108 HydrophobicContact CD2-CD1 4.19Å; L103-L108 PolarHBondContact O-N 3.45Å; C106-L108 VanDerWaalsContact C-N 3.25Å; C106-L108 HydrophobicContact CB-CD1 4.03Å; C106-L108 HydrophobicContact CB-CG 4.22Å; C106-L108 PolarHBondContact O-N 2.93Å; L108-V110 PolarHBondContact O-N 3.26Å
109P54.3Low53.4Low95 Ų9587.1 Ų87.162%0.61744%0.442SS*.  trans-66.5129.3-174.923.4-30.3000112.2
110V53.9Low52.1Low37 Ų3795 Ų9522%0.22448%0.476CS..  trans-95.41.9-176.2-166.20000112.2M100 L103 L108 H112 M113M100-V110 HydrophobicContact CE-CG1 4.14Å; M100-V110 HydrophobicContact CG-CG1 4.27Å; L103-V110 HydrophobicContact CB-CG2 4.36Å; L108-V110 PolarHBondContact O-N 3.26Å; V110-H112 PolarHBondContact O-N 2.71Å; V110-M113 PolarHBondContact O-N 2.95Å
111E52.1Low50.6Low146 Ų14694.5 Ų94.568%0.68249%0.488SS*.THydrogen-bonded Turntrans-61.3-21-166.2-62.5171.5-171.600114.9M113E111-M113 VanDerWaalsContact C-N 3.35Å; E111-M113 PolarHBondContact O-N 2.65Å
112H50.7Low48.9Very low156 Ų15697.3 Ų97.372%0.72251%0.508SS*.THydrogen-bonded Turntrans-80-9.4-178.7-71.9-77.7000114.7V110V110-H112 PolarHBondContact O-N 2.71Å
113M50.9Low46.9Very low36 Ų36103.2 Ų103.218%0.17755%0.548CS..THydrogen-bonded Turntrans-108.9-24.7-176.4-63.3-173.875.600114.6L3 A11 L96 V99 M100 V110 E111 R115 H116L3-M113 HydrophobicContact CD1-CE 3.32Å; L3-M113 HydrophobicContact CD2-CE 4.33Å; L3-M113 HydrophobicContact CG-CE 4.44Å; A11-M113 HydrophobicContact CB-CE 4.12Å; A11-M113 HydrophobicContact CB-SD 3.52Å; A11-M113 VanDerWaalsContact CB-SD 3.52Å; L96-M113 HydrophobicContact CD2-CE 4.06Å; V99-M113 HydrophobicContact CG1-SD 4.45Å; M100-M113 HydrophobicContact CE-CB 4.45Å; V110-M113 PolarHBondContact O-N 2.95Å; E111-M113 VanDerWaalsContact C-N 3.35Å; E111-M113 PolarHBondContact O-N 2.65Å; M113-R115 PolarHBondContact O-N 3.45Å; M113-H116 PolarHBondContact O-N 3.41Å
114E47.2Very low45.3Very low143 Ų143112.2 Ų112.267%0.66859%0.587SS**G310 helixtrans-65.8-20.9174.9-68.3-170.7158.600112.9H116E114-H116 PolarHBondContact O-N 2.82Å
115R40.5Very low43.7Very low194 Ų194114 Ų11473%0.73260%0.603SS**G310 helixtrans-66-20.7177.7-165.6176.8-68.7-175.2-0.4113.1M113M113-R115 PolarHBondContact O-N 3.45Å
116H43.7Very low42.2Very low135 Ų135115.1 Ų115.163%0.62562%0.622SS**G310 helixtrans-81.2-14.3-176-89-90.1000115M113 E114M113-H116 PolarHBondContact O-N 3.41Å; E114-H116 PolarHBondContact O-N 2.82Å
117E39.2Very low41.3Very low178 Ų178121.3 Ų121.383%0.83266%0.662SS**SBendtrans-78.7-23.9174.5-72.6-148.614500113.4
118K36.7Very low40.2Very low202 Ų202125.5 Ų125.588%0.87868%0.678SS**SBendtrans-102.32.9-172.2-74.1-178179.1173.40116
119S30.6Very low39Very low96 Ų96126.2 Ų126.267%0.67170%0.696SS**  trans-116.834.9-175.5-168.40000114.1G121S119-G121 VanDerWaalsContact C-N 3.33Å; S119-G121 PolarHBondContact O-N 3.03Å
120F34.4Very low38.3Very low166 Ų166126 Ų12673%0.72871%0.711SS**  trans-88.973.5164.4-82.4-84.7000110.1
121G31.2Very low37.4Very low57 Ų57132.6 Ų132.659%0.58874%0.739SS**  trans-155.994.1176.400000111.2S119S119-G121 VanDerWaalsContact C-N 3.33Å; S119-G121 PolarHBondContact O-N 3.03Å
122T28.4Very low36.9Very low134 Ų134130.5 Ų130.582%0.82274%0.741SS**  trans72.5105.1157-34.50000117
123C25.2Very low36.6Very low125 Ų125133 Ų13385%0.84575%0.75SS**  -179.7154.8114.4-96.10000111.3
124K30.6Very low36.4Very low198 Ų198139.3 Ų139.386%0.86178%0.779SS**  trans-83.3152.9-151.4-66.4166.4175.5176.60113.3
125S31.1Very low36.8Very low123 Ų123142.7 Ų142.786%0.8679%0.786SS**  trans-45.3134.2166.3430000114.6
126G28.6Very low37.7Very low69 Ų69139 Ų13971%0.71179%0.786SS**  trans-129.7136.4153.900000108.5
127P42.1Very low38.8Very low130 Ų130138.6 Ų138.684%0.84479%0.787SS**  trans-93118.5-176.933.9-25.1000109.4
128D33.5Very low40Very low171 Ų171136.9 Ų136.991%0.91478%0.777SS**  trans-153.1147.9145.6-133.7-15.5000111.3
129G33.9Very low41.6Very low59 Ų59133.1 Ų133.161%0.60876%0.758SS**  trans-59.2160.7-171.400000114E131G129-E131 PolarHBondContact O-N 3.35Å
130G39.6Very low43.7Very low91 Ų91133.9 Ų133.994%0.93875%0.754SS**  trans-60.794.7178.300000112.6
131E36Very low45.5Very low175 Ų175133 Ų13382%0.81875%0.75SS**  trans-90.4115.3154-75.7-170155.800108G129 F133G129-E131 PolarHBondContact O-N 3.35Å; E131-F133 PolarHBondContact O-N 2.82Å; E131-F133 VanDerWaalsContact O-N 3.09Å
132S41.3Very low47.5Very low102 Ų102133.6 Ų133.671%0.71375%0.745SS**  trans-52.7117.3162.950.60000108.2H134S132-H134 PolarHBondContact O-N 3.37Å
133F43.8Very low49.9Very low209 Ų209131.4 Ų131.492%0.91772%0.723SS**  trans-63.977170.8-76-86.4000109.9E131 R135E131-F133 PolarHBondContact O-N 2.82Å; E131-F133 VanDerWaalsContact O-N 3.09Å; F133-R135 PolarHBondContact O-N 3.33Å
134H47.1Very low52.4Low169 Ų169127 Ų12778%0.78269%0.689SS**  trans-81.472.8170.9-132.7-36.4000107.7S132 P136S132-H134 PolarHBondContact O-N 3.37Å; H134-P136 WeakPolarHBondContact O-CD 3.23Å
135R55.5Low54.4Low214 Ų214124.5 Ų124.581%0.80868%0.683SS**  trans-67.8126.2161.2-97.2-174.5-1801781.3107.1F133 I137F133-R135 PolarHBondContact O-N 3.33Å; R135-I137 PolarHBondContact O-N 2.92Å
136P58.6Low56.4Low115 Ų115127.5 Ų127.575%0.74768%0.681SS**  trans-55.6124.8168.1-19.230.4000107.9H134 K138H134-P136 WeakPolarHBondContact O-CD 3.23Å; P136-K138 PolarHBondContact O-N 3.33Å
137I67.3Low58.7Low127 Ų127126.7 Ų126.765%0.65166%0.662SS**  trans-65.3104.9174.1-61.6171.8000106.2R135 W139R135-I137 PolarHBondContact O-N 2.92Å; I137-W139 HydrophobicContact CG2-CD2 3.94Å; I137-W139 HydrophobicContact CG2-CE3 4.4Å; I137-W139 HydrophobicContact CG2-CG 4.43Å; I137-W139 HydrophobicContact CG2-CH2 4.19Å; I137-W139 HydrophobicContact CG2-CZ2 3.71Å; I137-W139 PolarHBondContact O-N 3.3Å
138K63.8Low60.1Low143 Ų143123.6 Ų123.662%0.62265%0.654SS**  trans-86.5103.8173.9-173.3170.7-179.7149.70107.7P136 E153P136-K138 PolarHBondContact O-N 3.33Å; K138-E153 WeakPolarHBondContact CD-OE1 3.13Å; K138-E153 WeakPolarHBondContact CE-OE1 3.4Å; K138-E153 VanDerWaalsContact CE-OE2 3.23Å; K138-E153 WeakPolarHBondContact CE-OE2 3.39Å; K138-E153 IonicContact NZ-OE1 2.63Å; K138-E153 PolarHBondContact NZ-OE1 2.91Å; K138-E153 IonicContact NZ-OE2 3.54Å; K138-E153 PolarHBondContact NZ-OE2 3.06Å
139W71.9Confident62Low123 Ų123122.1 Ų122.147%0.46664%0.64SS.*  trans-70.6143.4173.3-60.1102.6000109.7I137 Y143 Y144I137-W139 HydrophobicContact CG2-CD2 3.94Å; I137-W139 HydrophobicContact CG2-CE3 4.4Å; I137-W139 HydrophobicContact CG2-CG 4.43Å; I137-W139 HydrophobicContact CG2-CH2 4.19Å; I137-W139 HydrophobicContact CG2-CZ2 3.71Å; I137-W139 PolarHBondContact O-N 3.3Å; W139-Y143 HydrophobicContact CB-CD1 3.65Å; W139-Y143 HydrophobicContact CB-CE1 4.38Å; W139-Y143 HydrophobicContact CB-CG 3.96Å; W139-Y143 HydrophobicContact CD2-CD1 4.15Å; W139-Y143 HydrophobicContact CD2-CD2 4.49Å; W139-Y143 HydrophobicContact CD2-CE1 4.21Å; W139-Y143 HydrophobicContact CD2-CG 4.3Å; W139-Y143 HydrophobicContact CE3-CD2 4.2Å; W139-Y143 HydrophobicContact CE3-CE2 4.41Å; W139-Y143 HydrophobicContact CE3-CG 4.29Å; W139-Y143 AromaticContact CG-CD1 3.73Å; W139-Y143 HydrophobicContact CG-CD1 3.73Å; W139-Y143 AromaticContact CG-CE1 3.98Å; W139-Y143 HydrophobicContact CG-CE1 3.98Å; W139-Y143 HydrophobicContact CG-CG 4.18Å; W139-Y144 HydrophobicContact CB-CE2 3.76Å
140D73.6Confident63.8Low111 Ų111128.5 Ų128.559%0.59465%0.646SS**  trans-63.6149.1172.7-174.6-96.1000110.2S142 Y143D140-S142 PolarHBondContact O-N 2.98Å; D140-S142 VanDerWaalsContact OD1-CB 3.31Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 2.7Å; D140-S142 PolarHBondContact OD1-OG 3.09Å; D140-Y143 VanDerWaalsContact O-CB 3.27Å; D140-Y143 WeakPolarHBondContact O-CB 2.84Å; D140-Y143 PolarHBondContact O-N 2.95Å
141K72.3Confident65.7Low148 Ų148125 Ų12564%0.64361%0.605SS**Hα-helixtrans-55.5-29.6-177.3-68.5-179.6179177.30112.8Y143 Y144 I145K141-Y143 VanDerWaalsContact C-N 3.27Å; K141-Y143 PolarHBondContact O-N 3.39Å; K141-Y144 PolarHBondContact O-N 3.28Å; K141-I145 WeakPolarHBondContact O-CG1 3.22Å; K141-I145 PolarHBondContact O-N 2.94Å
142S74.3Confident67.3Low70 Ų70120.1 Ų120.149%0.4959%0.589SS.*Hα-helixtrans-59.8-33.4174.956.20000113.5D140 I145 F146D140-S142 PolarHBondContact O-N 2.98Å; D140-S142 VanDerWaalsContact OD1-CB 3.31Å; D140-S142 WeakPolarHBondContact OD1-CB 3.44Å; D140-S142 PolarHBondContact OD1-N 2.7Å; D140-S142 PolarHBondContact OD1-OG 3.09Å; S142-I145 PolarHBondContact O-N 3.27Å; S142-F146 VanDerWaalsContact O-CB 3.3Å; S142-F146 WeakPolarHBondContact O-CB 3.28Å; S142-F146 PolarHBondContact O-N 3.05Å
143Y78Confident68.8Low87 Ų87119 Ų11934%0.34157%0.572SS.*Hα-helixtrans-63.8-46177.3174-95.6000112.1W139 D140 K141 F146 T147W139-Y143 HydrophobicContact CB-CD1 3.65Å; W139-Y143 HydrophobicContact CB-CE1 4.38Å; W139-Y143 HydrophobicContact CB-CG 3.96Å; W139-Y143 HydrophobicContact CD2-CD1 4.15Å; W139-Y143 HydrophobicContact CD2-CD2 4.49Å; W139-Y143 HydrophobicContact CD2-CE1 4.21Å; W139-Y143 HydrophobicContact CD2-CG 4.3Å; W139-Y143 HydrophobicContact CE3-CD2 4.2Å; W139-Y143 HydrophobicContact CE3-CE2 4.41Å; W139-Y143 HydrophobicContact CE3-CG 4.29Å; W139-Y143 AromaticContact CG-CD1 3.73Å; W139-Y143 HydrophobicContact CG-CD1 3.73Å; W139-Y143 AromaticContact CG-CE1 3.98Å; W139-Y143 HydrophobicContact CG-CE1 3.98Å; W139-Y143 HydrophobicContact CG-CG 4.18Å; D140-Y143 VanDerWaalsContact O-CB 3.27Å; D140-Y143 WeakPolarHBondContact O-CB 2.84Å; D140-Y143 PolarHBondContact O-N 2.95Å; K141-Y143 VanDerWaalsContact C-N 3.27Å; K141-Y143 PolarHBondContact O-N 3.39Å; Y143-F146 PolarHBondContact O-N 3.43Å; Y143-T147 HydrophobicContact CD2-CG2 4.04Å; Y143-T147 HydrophobicContact CE1-CG2 4.31Å; Y143-T147 HydrophobicContact CE2-CG2 3.74Å; Y143-T147 HydrophobicContact CG-CG2 4.45Å; Y143-T147 WeakPolarHBondContact O-CB 3.29Å; Y143-T147 WeakPolarHBondContact O-CG2 3.45Å; Y143-T147 PolarHBondContact O-N 3.24Å; Y143-T147 PolarHBondContact O-OG1 2.76Å
144Y77.8Confident70Confident34 Ų34114.1 Ų114.113%0.13355%0.552CS.*Hα-helixtrans-66.5-38.5178.6-64.6-69.4000111.9W139 K141 G148 F149 D151 P152W139-Y144 HydrophobicContact CB-CE2 3.76Å; K141-Y144 PolarHBondContact O-N 3.28Å; Y144-G148 WeakPolarHBondContact O-CA 3.46Å; Y144-G148 PolarHBondContact O-N 3.25Å; Y144-F149 WeakPolarHBondContact CB-O 3.42Å; Y144-F149 HydrophobicContact CD1-CB 4.21Å; Y144-D151 HydrophobicContact CD1-CB 4.37Å; Y144-D151 HydrophobicContact CD2-CB 3.89Å; Y144-D151 HydrophobicContact CE2-CB 4.24Å; Y144-D151 HydrophobicContact CG-CB 3.95Å; Y144-P152 WeakPolarHBondContact OH-CD 3.43Å
145I72.6Confident70.9Confident144 Ų144110.4 Ų110.474%0.73854%0.535SS*.Hα-helixtrans-64.5-41.8175.4-65.2167.5000111K141 S142K141-I145 WeakPolarHBondContact O-CG1 3.22Å; K141-I145 PolarHBondContact O-N 2.94Å; S142-I145 PolarHBondContact O-N 3.27Å
146F73.8Confident71.5Confident186 Ų186105.2 Ų105.282%0.81652%0.523SS*.Hα-helixtrans-75.6-36.4-177.9-177.774.6000113.4S142 Y143S142-F146 VanDerWaalsContact O-CB 3.3Å; S142-F146 WeakPolarHBondContact O-CB 3.28Å; S142-F146 PolarHBondContact O-N 3.05Å; Y143-F146 PolarHBondContact O-N 3.43Å
147T76.5Confident71.7Confident52 Ų52104.3 Ų104.332%0.31951%0.509SS..Hα-helixtrans-89.4-14.9-17858.10000113.8Y143 F149Y143-T147 HydrophobicContact CD2-CG2 4.04Å; Y143-T147 HydrophobicContact CE1-CG2 4.31Å; Y143-T147 HydrophobicContact CE2-CG2 3.74Å; Y143-T147 HydrophobicContact CG-CG2 4.45Å; Y143-T147 WeakPolarHBondContact O-CB 3.29Å; Y143-T147 WeakPolarHBondContact O-CG2 3.45Å; Y143-T147 PolarHBondContact O-N 3.24Å; Y143-T147 PolarHBondContact O-OG1 2.76Å; T147-F149 PolarHBondContact O-N 3.05Å
148G70.9Confident71.5Confident66 Ų66102.8 Ų102.868%0.6850%0.499SS*.  trans72.71.5-174.500000114.2Y144Y144-G148 WeakPolarHBondContact O-CA 3.46Å; Y144-G148 PolarHBondContact O-N 3.25Å
149F73Confident71.3Confident140 Ų140100.9 Ų100.961%0.61450%0.5SS*.PPolyproline II helixtrans-69.4141170.3-75.7-68.4000110.2Y144 T147Y144-F149 WeakPolarHBondContact CB-O 3.42Å; Y144-F149 HydrophobicContact CD1-CB 4.21Å; T147-F149 PolarHBondContact O-N 3.05Å
150R72.3Confident70.8Confident193 Ų193102.5 Ų102.573%0.72851%0.51SS*.PPolyproline II helixtrans-74.7137177-67.9-179.5-170.2-127.4-0.7110.2P152 E155R150-P152 VanDerWaalsContact O-CD 3.29Å; R150-P152 WeakPolarHBondContact O-CD 3.49Å; R150-E155 HydrophobicContact CB-CG 4.46Å; R150-E155 VanDerWaalsContact CD-OE1 3.28Å; R150-E155 WeakPolarHBondContact CD-OE1 3.07Å
151D78.7Confident70.1Confident16 Ų16107.1 Ų107.19%0.08652%0.519CS..PPolyproline II helixtrans-68.6116.2175.7177.8-5.4000109.8Y144 E153 Q154 E155Y144-D151 HydrophobicContact CD1-CB 4.37Å; Y144-D151 HydrophobicContact CD2-CB 3.89Å; Y144-D151 HydrophobicContact CE2-CB 4.24Å; Y144-D151 HydrophobicContact CG-CB 3.95Å; D151-E153 PolarHBondContact O-N 2.95Å; D151-E153 WeakPolarHBondContact OD1-CB 3.5Å; D151-E153 PolarHBondContact OD1-N 2.89Å; D151-Q154 HydrophobicContact CB-CB 3.76Å; D151-Q154 WeakPolarHBondContact O-CB 3.27Å; D151-Q154 PolarHBondContact O-N 3.44Å; D151-E155 PolarHBondContact O-N 2.69Å
152P71.5Confident69.3Low73 Ų73106.3 Ų106.347%0.47452%0.519SS..Hα-helixtrans-59.8-32179.8-2232.9000113.4Y144 R150 Q154 L156Y144-P152 WeakPolarHBondContact OH-CD 3.43Å; R150-P152 VanDerWaalsContact O-CD 3.29Å; R150-P152 WeakPolarHBondContact O-CD 3.49Å; P152-Q154 VanDerWaalsContact C-N 3.31Å; P152-L156 WeakPolarHBondContact O-CB 3.23Å; P152-L156 PolarHBondContact O-N 2.84Å
153E71.9Confident68.4Low78 Ų78111.1 Ų111.136%0.36453%0.534SS..Hα-helixtrans-71.4-32.8176.6-67.8-172.2174.800111.2K138 D151 L156 Q157K138-E153 WeakPolarHBondContact CD-OE1 3.13Å; K138-E153 WeakPolarHBondContact CE-OE1 3.4Å; K138-E153 VanDerWaalsContact CE-OE2 3.23Å; K138-E153 WeakPolarHBondContact CE-OE2 3.39Å; K138-E153 IonicContact NZ-OE1 2.63Å; K138-E153 PolarHBondContact NZ-OE1 2.91Å; K138-E153 IonicContact NZ-OE2 3.54Å; K138-E153 PolarHBondContact NZ-OE2 3.06Å; D151-E153 PolarHBondContact O-N 2.95Å; D151-E153 WeakPolarHBondContact OD1-CB 3.5Å; D151-E153 PolarHBondContact OD1-N 2.89Å; E153-L156 PolarHBondContact O-N 3.37Å; E153-Q157 WeakPolarHBondContact O-CB 3.33Å; E153-Q157 VanDerWaalsContact O-CG 3.24Å; E153-Q157 WeakPolarHBondContact O-CG 3.38Å; E153-Q157 PolarHBondContact O-N 3.33Å
154Q68.9Low67.8Low107 Ų107110.8 Ų110.850%0.554%0.543SS..Hα-helixtrans-72-37.3176.8-152.2174.125.500111.2D151 P152 Q157 Q158D151-Q154 HydrophobicContact CB-CB 3.76Å; D151-Q154 WeakPolarHBondContact O-CB 3.27Å; D151-Q154 PolarHBondContact O-N 3.44Å; P152-Q154 VanDerWaalsContact C-N 3.31Å; Q154-Q157 PolarHBondContact O-N 2.83Å; Q154-Q158 WeakPolarHBondContact O-CB 3.45Å; Q154-Q158 VanDerWaalsContact O-CG 3.23Å; Q154-Q158 WeakPolarHBondContact O-CG 3.3Å; Q154-Q158 PolarHBondContact O-N 3.44Å
155E66.7Low67.8Low92 Ų92114.5 Ų114.543%0.4357%0.569SS.*Hα-helixtrans-64.2-43.6170.8-69.5-166.6157.800111.8R150 D151 Q157 Q158 T159R150-E155 HydrophobicContact CB-CG 4.46Å; R150-E155 VanDerWaalsContact CD-OE1 3.28Å; R150-E155 WeakPolarHBondContact CD-OE1 3.07Å; D151-E155 PolarHBondContact O-N 2.69Å; E155-Q157 VanDerWaalsContact C-N 3.32Å; E155-Q157 PolarHBondContact O-N 3.44Å; E155-Q158 PolarHBondContact O-N 2.91Å; E155-T159 VanDerWaalsContact O-CB 3.3Å; E155-T159 WeakPolarHBondContact O-CB 3.29Å; E155-T159 PolarHBondContact O-N 2.95Å; E155-T159 PolarHBondContact O-OG1 3.46Å
156L67.4Low68.2Low105 Ų105113.4 Ų113.455%0.5556%0.564SS.*Hα-helixtrans-63.8-39.8177.4-156.689.4000111.4P152 E153 K160P152-L156 WeakPolarHBondContact O-CB 3.23Å; P152-L156 PolarHBondContact O-N 2.84Å; E153-L156 PolarHBondContact O-N 3.37Å; L156-K160 WeakPolarHBondContact O-CB 3.34Å; L156-K160 VanDerWaalsContact O-CG 3.29Å; L156-K160 WeakPolarHBondContact O-CG 3.4Å; L156-K160 PolarHBondContact O-N 3.22Å
157Q63.8Low68.7Low95 Ų95110.2 Ų110.244%0.44455%0.551SS.*Hα-helixtrans-71.7-37.2176.3-75-179.71700112.5E153 Q154 E155 K160 R161E153-Q157 WeakPolarHBondContact O-CB 3.33Å; E153-Q157 VanDerWaalsContact O-CG 3.24Å; E153-Q157 WeakPolarHBondContact O-CG 3.38Å; E153-Q157 PolarHBondContact O-N 3.33Å; Q154-Q157 PolarHBondContact O-N 2.83Å; E155-Q157 VanDerWaalsContact C-N 3.32Å; E155-Q157 PolarHBondContact O-N 3.44Å; Q157-K160 PolarHBondContact O-N 3.34Å; Q157-R161 WeakPolarHBondContact O-CB 3.49Å; Q157-R161 WeakPolarHBondContact O-CG 3.46Å; Q157-R161 PolarHBondContact O-N 3.03Å
158Q61.8Low69.1Low95 Ų95109 Ų10944%0.44455%0.55SS..Hα-helixtrans-65.6-43.6173.4-77.4175.410.200111.1Q154 E155 K160 R161 M162Q154-Q158 WeakPolarHBondContact O-CB 3.45Å; Q154-Q158 VanDerWaalsContact O-CG 3.23Å; Q154-Q158 WeakPolarHBondContact O-CG 3.3Å; Q154-Q158 PolarHBondContact O-N 3.44Å; E155-Q158 PolarHBondContact O-N 2.91Å; Q158-K160 VanDerWaalsContact C-N 3.33Å; Q158-K160 PolarHBondContact O-N 3.42Å; Q158-R161 PolarHBondContact O-N 3.03Å; Q158-M162 VanDerWaalsContact O-CB 3.29Å; Q158-M162 WeakPolarHBondContact O-CB 3.45Å; Q158-M162 WeakPolarHBondContact O-CG 3.29Å; Q158-M162 PolarHBondContact O-N 3.47Å
159T59.2Low69.8Low104 Ų104112.4 Ų112.464%0.63854%0.542SS*.Hα-helixtrans-63.7-37.7176.6-520000111.7E155 M162E155-T159 VanDerWaalsContact O-CB 3.3Å; E155-T159 WeakPolarHBondContact O-CB 3.29Å; E155-T159 PolarHBondContact O-N 2.95Å; E155-T159 PolarHBondContact O-OG1 3.46Å; T159-M162 CarbonylContact O-C 3.53Å
160K62.2Low70.5Confident156 Ų156110 Ų11068%0.67854%0.535SS*.Hα-helixtrans-75.9-31.1174.7-75.3179.7178.3-175.30114L156 Q157 Q158L156-K160 WeakPolarHBondContact O-CB 3.34Å; L156-K160 VanDerWaalsContact O-CG 3.29Å; L156-K160 WeakPolarHBondContact O-CG 3.4Å; L156-K160 PolarHBondContact O-N 3.22Å; Q157-K160 PolarHBondContact O-N 3.34Å; Q158-K160 VanDerWaalsContact C-N 3.33Å; Q158-K160 PolarHBondContact O-N 3.42Å
161R58.8Low71.3Confident208 Ų208108.5 Ų108.579%0.78553%0.529SS*.Hα-helixtrans-80.5-25.2177.6-77.2177.3179.8-177.71.9112.8Q157 Q158Q157-R161 WeakPolarHBondContact O-CB 3.49Å; Q157-R161 WeakPolarHBondContact O-CG 3.46Å; Q157-R161 PolarHBondContact O-N 3.03Å; Q158-R161 PolarHBondContact O-N 3.03Å
162M56.1Low71.6Confident132 Ų132113.8 Ų113.865%0.6556%0.557SS**  trans-106.668.2173.8-62.5179.5176.800108.3Q158 T159 P164Q158-M162 VanDerWaalsContact O-CB 3.29Å; Q158-M162 WeakPolarHBondContact O-CB 3.45Å; Q158-M162 WeakPolarHBondContact O-CG 3.29Å; Q158-M162 PolarHBondContact O-N 3.47Å; T159-M162 CarbonylContact O-C 3.53Å; M162-P164 VanDerWaalsContact C-N 3.28Å; M162-P164 WeakPolarHBondContact O-CD 3.47Å
163E55.3Low72.5Confident170 Ų170111.7 Ų111.779%0.79455%0.545SS*.  trans-64104.3148.2-77.4-170168.600104.7T165E163-T165 PolarHBondContact O-N 2.9Å
164P64.2Low73.6Confident81 Ų81113.9 Ų113.953%0.52656%0.555SS.*  trans-71.7116.3-169.731.9-30.8000105.9M162 L166 W169M162-P164 VanDerWaalsContact C-N 3.28Å; M162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-L166 PolarHBondContact O-N 3.27Å; P164-W169 HydrophobicContact CB-CB 4.06Å; P164-W169 HydrophobicContact CG-CB 4.42Å
165T78.6Confident74.7Confident111 Ų111112.8 Ų112.868%0.68156%0.557SS**  trans-50.5130.9165.1-47.30000106.8E163 H167 G168 W169E163-T165 PolarHBondContact O-N 2.9Å; T165-H167 HydrophobicContact CG2-CB 4.45Å; T165-H167 CarbonylContact O-C 3.5Å; T165-H167 PolarHBondContact O-N 2.9Å; T165-G168 WeakPolarHBondContact O-CA 3.45Å; T165-G168 PolarHBondContact O-N 2.99Å; T165-W169 PolarHBondContact O-N 3.35Å
166L81.4Confident75.9Confident122 Ų122113.5 Ų113.564%0.63956%0.56SS**Hα-helixtrans-46-39.3-175.4175.662.5000112.1P164 W169 L170P164-L166 PolarHBondContact O-N 3.27Å; L166-W169 HydrophobicContact CD1-CE3 4.35Å; L166-W169 PolarHBondContact O-N 3.02Å; L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CG 4.16Å; L166-L170 HydrophobicContact CG-CD1 3.96Å; L166-L170 HydrophobicContact CG-CG 4.4Å; L166-L170 WeakPolarHBondContact O-CB 3.44Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.44Å; L166-L170 PolarHBondContact O-N 2.9Å
167H82.9Confident77Confident118 Ų118111.1 Ų111.155%0.54656%0.556SS.*Hα-helixtrans-59.8-45.6174.8176.9-86.8000113.9T165 R171T165-H167 HydrophobicContact CG2-CB 4.45Å; T165-H167 CarbonylContact O-C 3.5Å; T165-H167 PolarHBondContact O-N 2.9Å; H167-R171 PolarHBondContact CE1-NH2 2.98Å; H167-R171 WeakPolarHBondContact O-CB 3.34Å; H167-R171 PolarHBondContact O-N 3.23Å
168G85.5Confident78.4Confident28 Ų28109.7 Ų109.729%0.28955%0.554SS.*Hα-helixtrans-67.2-39.2176.400000112.4T165 N172T165-G168 WeakPolarHBondContact O-CA 3.45Å; T165-G168 PolarHBondContact O-N 2.99Å; G168-N172 WeakPolarHBondContact O-CB 3.4Å; G168-N172 PolarHBondContact O-N 3.44Å; G168-N172 VanDerWaalsContact O-N 3.08Å; G168-N172 PolarHBondContact O-ND2 2.92Å
169W85.8Confident79.9Confident136 Ų136112.9 Ų112.952%0.51557%0.566SS.*Hα-helixtrans-62.5-46.7174.2-177.182000112.2P164 T165 L166 N172 S173P164-W169 HydrophobicContact CB-CB 4.06Å; P164-W169 HydrophobicContact CG-CB 4.42Å; T165-W169 PolarHBondContact O-N 3.35Å; L166-W169 HydrophobicContact CD1-CE3 4.35Å; L166-W169 PolarHBondContact O-N 3.02Å; W169-N172 PolarHBondContact O-N 3.11Å; W169-S173 VanDerWaalsContact O-CB 3.22Å; W169-S173 WeakPolarHBondContact O-CB 3.21Å; W169-S173 PolarHBondContact O-N 2.92Å; W169-S173 PolarHBondContact O-OG 2.94Å
170L87.9Confident81.4Confident91 Ų91114.1 Ų114.148%0.47656%0.563SS.*Hα-helixtrans-60.1-48.6178.4-77170.9000111.3L166 N172 S173 E174L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CG 4.16Å; L166-L170 HydrophobicContact CG-CD1 3.96Å; L166-L170 HydrophobicContact CG-CG 4.4Å; L166-L170 WeakPolarHBondContact O-CB 3.44Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.44Å; L166-L170 PolarHBondContact O-N 2.9Å; L170-N172 VanDerWaalsContact C-N 3.29Å; L170-N172 PolarHBondContact O-N 3.3Å; L170-S173 PolarHBondContact O-N 3.42Å; L170-E174 WeakPolarHBondContact O-CB 3.49Å; L170-E174 PolarHBondContact O-N 2.83Å
171R87.6Confident82.7Confident160 Ų160110.9 Ų110.960%0.60455%0.55SS*.Hα-helixtrans-60.7-38.9178.4-173.3-178.4-73.9-173.1-4.3112.3H167 P175H167-R171 PolarHBondContact CE1-NH2 2.98Å; H167-R171 WeakPolarHBondContact O-CB 3.34Å; H167-R171 PolarHBondContact O-N 3.23Å; R171-P175 WeakPolarHBondContact O-CD 3.48Å
172N86.9Confident84.3Confident127 Ų127105 Ų10568%0.67953%0.534SS*.Hα-helixtrans-73.5-31.7178.6-67.8-13.1000112.3G168 W169 L170G168-N172 WeakPolarHBondContact O-CB 3.4Å; G168-N172 PolarHBondContact O-N 3.44Å; G168-N172 VanDerWaalsContact O-N 3.08Å; G168-N172 PolarHBondContact O-ND2 2.92Å; W169-N172 PolarHBondContact O-N 3.11Å; L170-N172 VanDerWaalsContact C-N 3.29Å; L170-N172 PolarHBondContact O-N 3.3Å
173S90.3Very high86Confident30 Ų30101.4 Ų101.421%0.2153%0.525CS..Hα-helixtrans-90.5-20.5-176.5-62.80000113.7W169 L170 E176 A177W169-S173 VanDerWaalsContact O-CB 3.22Å; W169-S173 WeakPolarHBondContact O-CB 3.21Å; W169-S173 PolarHBondContact O-N 2.92Å; W169-S173 PolarHBondContact O-OG 2.94Å; L170-S173 PolarHBondContact O-N 3.42Å; S173-E176 PolarHBondContact O-N 3.01Å; S173-A177 VanDerWaalsContact O-CB 3.25Å; S173-A177 WeakPolarHBondContact O-CB 3.37Å; S173-A177 PolarHBondContact O-N 3.42Å
174E93.5Very high87.7Confident124 Ų12494.1 Ų94.158%0.57949%0.493SS*.Hα-helixtrans-51.8-51.7178.6178.6-178.8-159.800114.2L170 E176 A177 T178L170-E174 WeakPolarHBondContact O-CB 3.49Å; L170-E174 PolarHBondContact O-N 2.83Å; E174-E176 VanDerWaalsContact C-N 3.33Å; E174-E176 PolarHBondContact O-N 2.76Å; E174-A177 PolarHBondContact O-N 3.18Å; E174-T178 WeakPolarHBondContact O-CB 3.41Å; E174-T178 PolarHBondContact O-N 3.01Å; E174-T178 PolarHBondContact O-OG1 3.47Å
175P92.7Very high89Confident84 Ų8493.1 Ų93.155%0.54548%0.483SS..Hα-helixtrans-66.1-37.2-177.924.6-34.1000112R171 K179R171-P175 WeakPolarHBondContact O-CD 3.48Å; P175-K179 VanDerWaalsContact O-CB 3.32Å; P175-K179 WeakPolarHBondContact O-CB 3.39Å; P175-K179 PolarHBondContact O-N 3.17Å
176E91.2Very high89.7Confident106 Ų10691.4 Ų91.450%0.49547%0.474SS..Hα-helixtrans-70-42.7177.3-167.1-175.5166.700111.4S173 E174 K179 K180S173-E176 PolarHBondContact O-N 3.01Å; E174-E176 VanDerWaalsContact C-N 3.33Å; E174-E176 PolarHBondContact O-N 2.76Å; E176-K179 PolarHBondContact O-N 3.08Å; E176-K180 HydrophobicContact CG-CD 4.37Å; E176-K180 WeakPolarHBondContact O-CB 3.34Å; E176-K180 WeakPolarHBondContact O-CG 3.34Å; E176-K180 PolarHBondContact O-N 2.92Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.85Å; E176-K180 PolarHBondContact OE1-NZ 3.08Å
177A91.2Very high90.1Very high55 Ų5591.4 Ų91.446%0.45547%0.465SS..Hα-helixtrans-62-44.1175.700000111.3S173 E174 K180 H181S173-A177 VanDerWaalsContact O-CB 3.25Å; S173-A177 WeakPolarHBondContact O-CB 3.37Å; S173-A177 PolarHBondContact O-N 3.42Å; E174-A177 PolarHBondContact O-N 3.18Å; A177-K180 PolarHBondContact O-N 3.08Å; A177-H181 VanDerWaalsContact O-CB 3.29Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 3.2Å
178T93.1Very high90.6Very high66 Ų6691.5 Ų91.541%0.40546%0.461SS..Hα-helixtrans-64.1-44.1177-56.70000111.1E174 K180 H181 N182E174-T178 WeakPolarHBondContact O-CB 3.41Å; E174-T178 PolarHBondContact O-N 3.01Å; E174-T178 PolarHBondContact O-OG1 3.47Å; T178-K180 PolarHBondContact O-N 3.1Å; T178-H181 WeakPolarHBondContact O-CB 3.33Å; T178-H181 PolarHBondContact O-N 3.48Å; T178-N182 WeakPolarHBondContact O-CB 3.22Å; T178-N182 VanDerWaalsContact O-CG 3.28Å; T178-N182 PolarHBondContact O-N 2.9Å
179K93.9Very high91Very high162 Ų16296.3 Ų96.370%0.70448%0.476SS*.Hα-helixtrans-60-46.1174.4-175.4179.1179.8179.90111.7P175 E176 H181 A183P175-K179 VanDerWaalsContact O-CB 3.32Å; P175-K179 WeakPolarHBondContact O-CB 3.39Å; P175-K179 PolarHBondContact O-N 3.17Å; E176-K179 PolarHBondContact O-N 3.08Å; K179-H181 VanDerWaalsContact C-N 3.35Å; K179-A183 VanDerWaalsContact O-CB 3.29Å; K179-A183 WeakPolarHBondContact O-CB 3.36Å; K179-A183 PolarHBondContact O-N 3.37Å
180K90.6Very high91.3Very high129 Ų12992.5 Ų92.556%0.56146%0.464SS*.Hα-helixtrans-65-37.6176.8-74.4176.7-177.2169.10112E176 A177 T178 S184E176-K180 HydrophobicContact CG-CD 4.37Å; E176-K180 WeakPolarHBondContact O-CB 3.34Å; E176-K180 WeakPolarHBondContact O-CG 3.34Å; E176-K180 PolarHBondContact O-N 2.92Å; E176-K180 WeakPolarHBondContact OE1-CE 3.4Å; E176-K180 IonicContact OE1-NZ 3.85Å; E176-K180 PolarHBondContact OE1-NZ 3.08Å; A177-K180 PolarHBondContact O-N 3.08Å; T178-K180 PolarHBondContact O-N 3.1Å; K180-S184 WeakPolarHBondContact O-CB 3.37Å; K180-S184 PolarHBondContact O-N 3.3Å; K180-S184 VanDerWaalsContact O-N 3.11Å
181H89.1Confident91.6Very high88 Ų8889.3 Ų89.341%0.40745%0.447SS..Hα-helixtrans-62.5-54175.7-179.377.9000110.8A177 T178 K179 A183 S184 L185A177-H181 VanDerWaalsContact O-CB 3.29Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 3.2Å; T178-H181 WeakPolarHBondContact O-CB 3.33Å; T178-H181 PolarHBondContact O-N 3.48Å; K179-H181 VanDerWaalsContact C-N 3.35Å; H181-A183 VanDerWaalsContact C-N 3.33Å; H181-A183 PolarHBondContact O-N 2.8Å; H181-S184 WeakPolarHBondContact O-CA 3.28Å; H181-S184 WeakPolarHBondContact O-CB 3.31Å; H181-S184 PolarHBondContact O-N 2.97Å; H181-S184 PolarHBondContact O-OG 2.93Å; H181-L185 PolarHBondContact O-N 3.36Å; H181-L185 VanDerWaalsContact O-N 3.11Å
182N93.3Very high91.9Very high86 Ų8685.3 Ų85.346%0.4644%0.444SS..Hα-helixtrans-60.4-42.2179.3-68.5-13.3000111.7T178 S184 L185 P186T178-N182 WeakPolarHBondContact O-CB 3.22Å; T178-N182 VanDerWaalsContact O-CG 3.28Å; T178-N182 PolarHBondContact O-N 2.9Å; N182-S184 PolarHBondContact O-N 2.88Å; N182-L185 WeakPolarHBondContact O-CB 3.47Å; N182-L185 PolarHBondContact O-N 3.29Å; N182-P186 WeakPolarHBondContact O-CD 3.29Å
183A90.9Very high92.3Very high56 Ų5685 Ų8546%0.46343%0.433SS..Hα-helixtrans-64.7-18.7173.600000113.4K179 H181 R187K179-A183 VanDerWaalsContact O-CB 3.29Å; K179-A183 WeakPolarHBondContact O-CB 3.36Å; K179-A183 PolarHBondContact O-N 3.37Å; H181-A183 VanDerWaalsContact C-N 3.33Å; H181-A183 PolarHBondContact O-N 2.8Å; A183-R187 PolarHBondContact O-NH2 3.18Å; A183-R187 VanDerWaalsContact O-NH2 3.08Å
184S90.9Very high92.5Very high16 Ų1683.9 Ų83.911%0.11243%0.425CS..Hα-helixtrans-90.9-22.5177.183.50000114K180 H181 N182 R187 R188K180-S184 WeakPolarHBondContact O-CB 3.37Å; K180-S184 PolarHBondContact O-N 3.3Å; K180-S184 VanDerWaalsContact O-N 3.11Å; H181-S184 WeakPolarHBondContact O-CA 3.28Å; H181-S184 WeakPolarHBondContact O-CB 3.31Å; H181-S184 PolarHBondContact O-N 2.97Å; H181-S184 PolarHBondContact O-OG 2.93Å; N182-S184 PolarHBondContact O-N 2.88Å; S184-R187 PolarHBondContact O-N 3.14Å; S184-R187 VanDerWaalsContact O-N 3.15Å; S184-R188 WeakPolarHBondContact O-CG 3.27Å; S184-R188 PolarHBondContact O-N 2.89Å; S184-R188 PolarHBondContact OG-NE 3.38Å; S184-R188 VanDerWaalsContact OG-NE 3.15Å
185L92.3Very high92.5Very high61 Ų6180.7 Ų80.732%0.31941%0.409SS..Hα-helixtrans-50.5-52.9-179-69.4176.9000113.9H181 N182 R187 R188 E189H181-L185 PolarHBondContact O-N 3.36Å; H181-L185 VanDerWaalsContact O-N 3.11Å; N182-L185 WeakPolarHBondContact O-CB 3.47Å; N182-L185 PolarHBondContact O-N 3.29Å; L185-R187 PolarHBondContact O-N 3.23Å; L185-R188 WeakPolarHBondContact O-CB 3.43Å; L185-R188 PolarHBondContact O-N 3.05Å; L185-E189 PolarHBondContact O-N 3.36Å
186P93.1Very high92.6Very high75 Ų7582.9 Ų82.949%0.48741%0.41SS..Hα-helixtrans-61.7-33.8-17823.3-34.6000112.3N182 E190N182-P186 WeakPolarHBondContact O-CD 3.29Å; P186-E190 WeakPolarHBondContact O-CB 3.32Å; P186-E190 PolarHBondContact O-N 3.44Å
187R90.5Very high92.7Very high122 Ų12281.1 Ų81.146%0.4640%0.402SS..Hα-helixtrans-70.8-33.5175.3-72.4-174.3-73.7-109.4-3.8112.5A183 S184 L185 L191 V215 C219A183-R187 PolarHBondContact O-NH2 3.18Å; A183-R187 VanDerWaalsContact O-NH2 3.08Å; S184-R187 PolarHBondContact O-N 3.14Å; S184-R187 VanDerWaalsContact O-N 3.15Å; L185-R187 PolarHBondContact O-N 3.23Å; R187-L191 VanDerWaalsContact O-CB 3.31Å; R187-L191 WeakPolarHBondContact O-CB 3.39Å; R187-L191 PolarHBondContact O-N 2.6Å; R187-V215 HydrophobicContact CB-CG1 3.78Å; R187-V215 WeakPolarHBondContact O-CG1 3.46Å; R187-C219 PolarHBondContact O-SG 2.73Å; R187-C219 VanDerWaalsContact O-SG 3.4Å
188R92.6Very high92.7Very high119 Ų11978.5 Ų78.545%0.44938%0.38SS..Hα-helixtrans-71.8-39.4177.3-69.4176.1-177.4-134.5-1.7111.2S184 L185 L191 S192 V215S184-R188 WeakPolarHBondContact O-CG 3.27Å; S184-R188 PolarHBondContact O-N 2.89Å; S184-R188 PolarHBondContact OG-NE 3.38Å; S184-R188 VanDerWaalsContact OG-NE 3.15Å; L185-R188 WeakPolarHBondContact O-CB 3.43Å; L185-R188 PolarHBondContact O-N 3.05Å; R188-L191 PolarHBondContact O-N 3.03Å; R188-S192 WeakPolarHBondContact O-CB 3.31Å; R188-S192 PolarHBondContact O-N 3.37Å; R188-S192 PolarHBondContact O-OG 2.87Å; R188-V215 HydrophobicContact CG-CG1 3.95Å; R188-V215 HydrophobicContact CG-CG2 3.92Å
189E94Very high92.6Very high130 Ų13076.4 Ų76.461%0.60737%0.368SS*.Hα-helixtrans-62.1-48.9172.9-71.5168.9-170.100110.2L185 L191 S192 R193L185-E189 PolarHBondContact O-N 3.36Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3.04Å; E189-S192 PolarHBondContact O-N 2.7Å; E189-S192 VanDerWaalsContact O-N 3.14Å; E189-R193 WeakPolarHBondContact O-CB 3.47Å; E189-R193 PolarHBondContact O-N 3.38Å
190E92.9Very high92.5Very high56 Ų5674.5 Ų74.526%0.26236%0.361SS..Hα-helixtrans-60.5-42175.7178.560.7-174.700112.4P186 S192 R193 L194P186-E190 WeakPolarHBondContact O-CB 3.32Å; P186-E190 PolarHBondContact O-N 3.44Å; E190-S192 VanDerWaalsContact C-N 3.31Å; E190-S192 PolarHBondContact O-N 3.34Å; E190-R193 VanDerWaalsContact CD-NH2 3.33Å; E190-R193 PolarHBondContact O-N 2.82Å; E190-R193 IonicContact OE1-CZ 2.8Å; E190-R193 IonicContact OE1-NE 3.95Å; E190-R193 IonicContact OE1-NH2 2.75Å; E190-R193 PolarHBondContact OE1-NH2 3.29Å; E190-R193 IonicContact OE2-CZ 3.74Å; E190-R193 IonicContact OE2-NE 2.76Å; E190-R193 PolarHBondContact OE2-NE 3.43Å; E190-R193 IonicContact OE2-NH2 3.85Å; E190-R193 PolarHBondContact OE2-NH2 3.06Å; E190-R193 VanDerWaalsContact OE2-NH2 3.17Å; E190-L194 HydrophobicContact CG-CD1 4.02Å; E190-L194 HydrophobicContact CG-CG 4.39Å; E190-L194 WeakPolarHBondContact O-CB 3.28Å; E190-L194 WeakPolarHBondContact O-CG 3.28Å; E190-L194 PolarHBondContact O-N 3.41Å; E190-L194 WeakPolarHBondContact OE1-CD1 3.28Å; E190-L194 WeakPolarHBondContact OE1-CG 3.46Å
191L93.8Very high92.3Very high23 Ų2373.1 Ų73.112%0.1236%0.355CS..Hα-helixtrans-58.7-45174.6-179.165.2000111.6R187 R188 E189 K195 W209 V215 K218 L222R187-L191 VanDerWaalsContact O-CB 3.31Å; R187-L191 WeakPolarHBondContact O-CB 3.39Å; R187-L191 PolarHBondContact O-N 2.6Å; R188-L191 PolarHBondContact O-N 3.03Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3.04Å; L191-K195 VanDerWaalsContact O-CB 3.23Å; L191-K195 WeakPolarHBondContact O-CB 3.33Å; L191-K195 PolarHBondContact O-N 2.9Å; L191-W209 HydrophobicContact CD1-CH2 4.19Å; L191-W209 HydrophobicContact CD1-CZ2 4.11Å; L191-V215 HydrophobicContact CB-CG1 4.27Å; L191-V215 HydrophobicContact CD2-CG1 4.11Å; L191-K218 HydrophobicContact CD1-CB 3.55Å; L191-K218 HydrophobicContact CD2-CB 4Å; L191-K218 HydrophobicContact CD2-CD 3.97Å; L191-K218 HydrophobicContact CG-CB 4.47Å; L191-L222 HydrophobicContact CD1-CD1 3.59Å; L191-L222 HydrophobicContact CD1-CG 4.25Å
192S93.6Very high92.1Very high77 Ų7769.8 Ų69.854%0.53834%0.34SS..Hα-helixtrans-67.4-40.8-179.5-54.70000111R188 E189 E190 K195 K196R188-S192 WeakPolarHBondContact O-CB 3.31Å; R188-S192 PolarHBondContact O-N 3.37Å; R188-S192 PolarHBondContact O-OG 2.87Å; E189-S192 PolarHBondContact O-N 2.7Å; E189-S192 VanDerWaalsContact O-N 3.14Å; E190-S192 VanDerWaalsContact C-N 3.31Å; E190-S192 PolarHBondContact O-N 3.34Å; S192-K195 PolarHBondContact O-N 3.18Å; S192-K196 WeakPolarHBondContact O-CB 3.31Å; S192-K196 PolarHBondContact O-N 3.2Å
193R95.5Very high91.9Very high119 Ų11970.9 Ų70.945%0.44935%0.345SS..Hα-helixtrans-60.8-54.5175.1-170-169.471.6733.9111.3E189 E190 K195 K196 E197E189-R193 WeakPolarHBondContact O-CB 3.47Å; E189-R193 PolarHBondContact O-N 3.38Å; E190-R193 VanDerWaalsContact CD-NH2 3.33Å; E190-R193 PolarHBondContact O-N 2.82Å; E190-R193 IonicContact OE1-CZ 2.8Å; E190-R193 IonicContact OE1-NE 3.95Å; E190-R193 IonicContact OE1-NH2 2.75Å; E190-R193 PolarHBondContact OE1-NH2 3.29Å; E190-R193 IonicContact OE2-CZ 3.74Å; E190-R193 IonicContact OE2-NE 2.76Å; E190-R193 PolarHBondContact OE2-NE 3.43Å; E190-R193 IonicContact OE2-NH2 3.85Å; E190-R193 PolarHBondContact OE2-NH2 3.06Å; E190-R193 VanDerWaalsContact OE2-NH2 3.17Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.37Å; R193-K196 PolarHBondContact O-N 3.07Å; R193-E197 IonicContact CZ-OE2 3.3Å; R193-E197 IonicContact NH1-OE2 3.28Å; R193-E197 PolarHBondContact NH1-OE2 3.02Å; R193-E197 WeakPolarHBondContact O-CB 3.3Å; R193-E197 PolarHBondContact O-N 3.14Å
194L93.5Very high92Very high7 Ų768.9 Ų68.94%0.03733%0.327CS..Hα-helixtrans-60.4-41.7178.2-73.8173.3000111.7E190 E197 L198 L222 Q223E190-L194 HydrophobicContact CG-CD1 4.02Å; E190-L194 HydrophobicContact CG-CG 4.39Å; E190-L194 WeakPolarHBondContact O-CB 3.28Å; E190-L194 WeakPolarHBondContact O-CG 3.28Å; E190-L194 PolarHBondContact O-N 3.41Å; E190-L194 WeakPolarHBondContact OE1-CD1 3.28Å; E190-L194 WeakPolarHBondContact OE1-CG 3.46Å; L194-E197 PolarHBondContact O-N 3.4Å; L194-L198 WeakPolarHBondContact O-CB 3.44Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 3.39Å; L194-L222 HydrophobicContact CB-CB 4.13Å; L194-L222 HydrophobicContact CB-CD1 3.68Å; L194-L222 HydrophobicContact CD1-CB 4.24Å; L194-Q223 HydrophobicContact CD1-CG 3.9Å
195K94.4Very high92Very high57 Ų5771.5 Ų71.525%0.24835%0.349CS..Hα-helixtrans-59.5-49.4177.2175.4171.7171.9167.60110.7L191 S192 R193 L198 C199 D206 I207 W209 L222L191-K195 VanDerWaalsContact O-CB 3.23Å; L191-K195 WeakPolarHBondContact O-CB 3.33Å; L191-K195 PolarHBondContact O-N 2.9Å; S192-K195 PolarHBondContact O-N 3.18Å; R193-K195 VanDerWaalsContact C-N 3.33Å; R193-K195 PolarHBondContact O-N 3.37Å; K195-L198 PolarHBondContact O-N 2.94Å; K195-C199 WeakPolarHBondContact O-CB 3.32Å; K195-C199 PolarHBondContact O-N 3.35Å; K195-C199 PolarHBondContact O-SG 3.4Å; K195-D206 WeakPolarHBondContact CE-OD1 3.49Å; K195-D206 IonicContact NZ-OD1 2.67Å; K195-D206 PolarHBondContact NZ-OD1 3.09Å; K195-D206 IonicContact NZ-OD2 3.93Å; K195-I207 HydrophobicContact CD-CB 4.46Å; K195-I207 WeakPolarHBondContact CE-O 3.39Å; K195-I207 HydrophobicContact CG-CB 4.31Å; K195-I207 HydrophobicContact CG-CD1 4.43Å; K195-I207 PolarHBondContact NZ-O 3.42Å; K195-W209 HydrophobicContact CD-CH2 4.34Å; K195-W209 HydrophobicContact CD-CZ3 4.39Å; K195-L222 HydrophobicContact CB-CD1 4.03Å
196K94.1Very high92.1Very high131 Ų13170.8 Ų70.857%0.5735%0.346SS*.Hα-helixtrans-62.2-47.7178.9-176.5175.5174.3-179.70111.6S192 R193 L198 C199 E200S192-K196 WeakPolarHBondContact O-CB 3.31Å; S192-K196 PolarHBondContact O-N 3.2Å; R193-K196 PolarHBondContact O-N 3.07Å; K196-L198 PolarHBondContact O-N 2.95Å; K196-C199 PolarHBondContact O-N 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 HydrophobicContact CG-CG 4.45Å; K196-E200 WeakPolarHBondContact CG-OE1 3.32Å; K196-E200 IonicContact NZ-OE1 3.09Å; K196-E200 WeakPolarHBondContact O-CB 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.48Å; K196-E200 PolarHBondContact O-N 3Å
197E93Very high92.1Very high69 Ų6967.2 Ų67.232%0.32232%0.322SS..Hα-helixtrans-57.3-46.3178.9-173.5-173.2152.900111.8R193 L194 E200 K201R193-E197 IonicContact CZ-OE2 3.3Å; R193-E197 IonicContact NH1-OE2 3.28Å; R193-E197 PolarHBondContact NH1-OE2 3.02Å; R193-E197 WeakPolarHBondContact O-CB 3.3Å; R193-E197 PolarHBondContact O-N 3.14Å; L194-E197 PolarHBondContact O-N 3.4Å; E197-E200 PolarHBondContact O-N 3.29Å; E197-K201 WeakPolarHBondContact O-CB 3.4Å; E197-K201 PolarHBondContact O-N 3.29Å
198L91Very high92.1Very high0 Ų065.9 Ų65.90%032%0.32CS..Hα-helixtrans-71.1-38-179.9-63.5169000112.1L194 K195 K196 F202 I207 L222 L225 T226L194-L198 WeakPolarHBondContact O-CB 3.44Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 3.39Å; K195-L198 PolarHBondContact O-N 2.94Å; K196-L198 PolarHBondContact O-N 2.95Å; L198-F202 HydrophobicContact CB-CD2 4.31Å; L198-F202 HydrophobicContact CB-CE2 4.18Å; L198-F202 HydrophobicContact CD2-CD2 4.41Å; L198-F202 HydrophobicContact CD2-CE2 3.48Å; L198-F202 VanDerWaalsContact CD2-CE2 3.48Å; L198-F202 HydrophobicContact CD2-CZ 4.17Å; L198-F202 HydrophobicContact CG-CE2 4.41Å; L198-F202 WeakPolarHBondContact O-CD2 3.4Å; L198-F202 PolarHBondContact O-N 2.74Å; L198-F202 VanDerWaalsContact O-N 3.09Å; L198-I207 HydrophobicContact CB-CD1 4Å; L198-L222 HydrophobicContact CD1-CB 3.82Å; L198-L222 HydrophobicContact CD1-CD2 3.98Å; L198-L222 HydrophobicContact CD1-CG 4.33Å; L198-L225 HydrophobicContact CD1-CD2 4.41Å; L198-T226 HydrophobicContact CD2-CG2 4.45Å; L198-T226 WeakPolarHBondContact CD2-OG1 3.45Å
199C92.5Very high92Very high22 Ų2262.5 Ų62.515%0.14931%0.307CS..Hα-helixtrans-60.8-45.3173.6-760000111.7K195 K196 L203 L204K195-C199 WeakPolarHBondContact O-CB 3.32Å; K195-C199 PolarHBondContact O-N 3.35Å; K195-C199 PolarHBondContact O-SG 3.4Å; K196-C199 PolarHBondContact O-N 3.3Å; C199-L203 CarbonylContact O-C 3.5Å; C199-L203 VanDerWaalsContact O-CA 3.24Å; C199-L203 WeakPolarHBondContact O-CA 3.49Å; C199-L203 PolarHBondContact O-N 3.47Å; C199-L204 PolarHBondContact O-N 3.14Å
200E90.4Very high91.7Very high122 Ų12259.6 Ų59.657%0.5729%0.293SS*.Hα-helixtrans-68-44.8178.4-71.9173.6177.200111.6K196 E197 F202K196-E200 WeakPolarHBondContact CE-OE1 3.25Å; K196-E200 HydrophobicContact CG-CG 4.45Å; K196-E200 WeakPolarHBondContact CG-OE1 3.32Å; K196-E200 IonicContact NZ-OE1 3.09Å; K196-E200 WeakPolarHBondContact O-CB 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.48Å; K196-E200 PolarHBondContact O-N 3Å; E197-E200 PolarHBondContact O-N 3.29Å; E200-F202 PolarHBondContact O-N 3.32Å
201K87.8Confident91.2Very high100 Ų10062.9 Ų62.944%0.43530%0.303SS..Hα-helixtrans-65.4-37.9-176.6-172.1178.5179.4-171.10113.3E197 S229E197-K201 WeakPolarHBondContact O-CB 3.4Å; E197-K201 PolarHBondContact O-N 3.29Å; K201-S229 PolarHBondContact NZ-OG 3.08Å; K201-S229 VanDerWaalsContact NZ-OG 3.17Å
202F84.8Confident90.6Very high18 Ų1867.7 Ų67.78%0.07934%0.339CS..Hα-helixtrans-107.68.1-179-46.9-60.7000113.9L198 E200 L204 L236L198-F202 HydrophobicContact CB-CD2 4.31Å; L198-F202 HydrophobicContact CB-CE2 4.18Å; L198-F202 HydrophobicContact CD2-CD2 4.41Å; L198-F202 HydrophobicContact CD2-CE2 3.48Å; L198-F202 VanDerWaalsContact CD2-CE2 3.48Å; L198-F202 HydrophobicContact CD2-CZ 4.17Å; L198-F202 HydrophobicContact CG-CE2 4.41Å; L198-F202 WeakPolarHBondContact O-CD2 3.4Å; L198-F202 PolarHBondContact O-N 2.74Å; L198-F202 VanDerWaalsContact O-N 3.09Å; E200-F202 PolarHBondContact O-N 3.32Å; F202-L204 HydrophobicContact CB-CD1 4.44Å; F202-L204 HydrophobicContact CB-CD2 3.88Å; F202-L204 HydrophobicContact CB-CG 3.88Å; F202-L204 HydrophobicContact CD2-CD1 4.38Å; F202-L204 PolarHBondContact O-N 3.24Å; F202-L236 HydrophobicContact CD1-CB 4.18Å; F202-L236 HydrophobicContact CD1-CD2 3.57Å; F202-L236 HydrophobicContact CD2-CD2 4.14Å; F202-L236 HydrophobicContact CE1-CB 4.49Å; F202-L236 HydrophobicContact CE1-CD2 3.4Å; F202-L236 HydrophobicContact CE2-CD2 3.94Å; F202-L236 HydrophobicContact CG-CD2 3.98Å; F202-L236 HydrophobicContact CZ-CD2 3.63Å
203L89.2Confident90.1Very high109 Ų10968.2 Ų68.257%0.57133%0.329SS*.THydrogen-bonded Turntrans52.343.4-177.4-55.8172.1000112C199 Q240 G241C199-L203 CarbonylContact O-C 3.5Å; C199-L203 VanDerWaalsContact O-CA 3.24Å; C199-L203 WeakPolarHBondContact O-CA 3.49Å; C199-L203 PolarHBondContact O-N 3.47Å; L203-Q240 HydrophobicContact CB-CG 4.4Å; L203-G241 PolarHBondContact O-N 3.11Å
204L91.9Very high89.7Confident14 Ų1464.9 Ų64.97%0.07333%0.332CS..  trans-77.6146.3178.4-52.5176.8000110C199 F202 I207 L239 V244C199-L204 PolarHBondContact O-N 3.14Å; F202-L204 HydrophobicContact CB-CD1 4.44Å; F202-L204 HydrophobicContact CB-CD2 3.88Å; F202-L204 HydrophobicContact CB-CG 3.88Å; F202-L204 HydrophobicContact CD2-CD1 4.38Å; F202-L204 PolarHBondContact O-N 3.24Å; L204-I207 HydrophobicContact CD1-CD1 3.99Å; L204-I207 HydrophobicContact CD1-CG1 3.94Å; L204-L239 HydrophobicContact CD2-CB 3.91Å; L204-L239 WeakPolarHBondContact CD2-O 3.41Å; L204-V244 HydrophobicContact CD1-CG2 3.98Å; L204-V244 HydrophobicContact CD2-CG2 4.14Å
205A91.9Very high89.5Confident70 Ų7066.2 Ų66.258%0.57934%0.341SS*.SBendtrans-68.2-46.1174.800000111.4H242A205-H242 PolarHBondContact N-O 3.19Å
206D92.5Very high89.2Confident47 Ų4766 Ų6625%0.25135%0.35SS..EExtended strand (participates in β ladder)trans-164.2167.3176.1-170.121.8000110.8K195 K208 T243 V244K195-D206 WeakPolarHBondContact CE-OD1 3.49Å; K195-D206 IonicContact NZ-OD1 2.67Å; K195-D206 PolarHBondContact NZ-OD1 3.09Å; K195-D206 IonicContact NZ-OD2 3.93Å; D206-K208 WeakPolarHBondContact OD2-CE 3.44Å; D206-K208 WeakPolarHBondContact OD2-CG 3.49Å; D206-T243 HydrophobicContact CB-CG2 4.02Å; D206-T243 CarbonylContact O-C 3.22Å; D206-T243 VanDerWaalsContact O-CA 3.29Å; D206-T243 WeakPolarHBondContact O-CA 3.44Å; D206-T243 WeakPolarHBondContact O-CG2 3.29Å; D206-V244 PolarHBondContact O-N 3.48Å
207I93.4Very high89Confident0 Ų062.7 Ų62.70%034%0.336CS..EExtended strand (participates in β ladder)trans-123.5124.7168.9-57.9171.9000109.6K195 L198 L204 W209 L222 V244 F246K195-I207 HydrophobicContact CD-CB 4.46Å; K195-I207 WeakPolarHBondContact CE-O 3.39Å; K195-I207 HydrophobicContact CG-CB 4.31Å; K195-I207 HydrophobicContact CG-CD1 4.43Å; K195-I207 PolarHBondContact NZ-O 3.42Å; L198-I207 HydrophobicContact CB-CD1 4Å; L204-I207 HydrophobicContact CD1-CD1 3.99Å; L204-I207 HydrophobicContact CD1-CG1 3.94Å; I207-W209 HydrophobicContact CG2-CH2 3.99Å; I207-W209 HydrophobicContact CG2-CZ2 4.17Å; I207-W209 HydrophobicContact CG2-CZ3 4.37Å; I207-W209 WeakPolarHBondContact O-CZ3 3.35Å; I207-L222 HydrophobicContact CD1-CD2 4.1Å; I207-L222 HydrophobicContact CG2-CD2 3.99Å; I207-V244 CarbonylContact C-O 3.4Å; I207-V244 WeakPolarHBondContact CA-O 3.48Å; I207-V244 HydrophobicContact CG1-CB 4.49Å; I207-F246 HydrophobicContact CG2-CD2 4.15Å; I207-F246 HydrophobicContact CG2-CE2 3.81Å
208K91.5Very high88.9Confident93 Ų9361.6 Ų61.640%0.40433%0.33SS..EExtended strand (participates in β ladder)trans-127.6167.7-175.6-60.2178.1-174.2167.30111.6D206 T243 V244 V245 F246D206-K208 WeakPolarHBondContact OD2-CE 3.44Å; D206-K208 WeakPolarHBondContact OD2-CG 3.49Å; K208-T243 HydrophobicContact CD-CG2 3.87Å; K208-T243 HydrophobicContact CG-CG2 4.04Å; K208-V244 PolarHBondContact N-O 2.89Å; K208-V245 HydrophobicContact CB-CG2 4.22Å; K208-V245 WeakPolarHBondContact O-CA 3.43Å; K208-F246 PolarHBondContact O-N 2.89Å
209W90.9Very high88.9Confident49 Ų4962 Ų6219%0.18633%0.333CS..EExtended strand (participates in β ladder)trans-131.1131.3178-68.3-94.6000109.4L191 K195 I207 K218 L222 F246L191-W209 HydrophobicContact CD1-CH2 4.19Å; L191-W209 HydrophobicContact CD1-CZ2 4.11Å; K195-W209 HydrophobicContact CD-CH2 4.34Å; K195-W209 HydrophobicContact CD-CZ3 4.39Å; I207-W209 HydrophobicContact CG2-CH2 3.99Å; I207-W209 HydrophobicContact CG2-CZ2 4.17Å; I207-W209 HydrophobicContact CG2-CZ3 4.37Å; I207-W209 WeakPolarHBondContact O-CZ3 3.35Å; W209-K218 HydrophobicContact CD2-CD 3.9Å; W209-K218 HydrophobicContact CD2-CG 4.22Å; W209-K218 HydrophobicContact CE3-CD 4.32Å; W209-K218 HydrophobicContact CG-CD 4.19Å; W209-K218 HydrophobicContact CG-CG 4.29Å; W209-K218 HydrophobicContact CZ2-CB 3.95Å; W209-K218 HydrophobicContact CZ2-CD 4.32Å; W209-K218 HydrophobicContact CZ2-CG 4.32Å; W209-L222 HydrophobicContact CH2-CD1 4.49Å; W209-L222 HydrophobicContact CH2-CD2 4.44Å; W209-L222 HydrophobicContact CZ2-CD1 4.39Å; W209-L222 HydrophobicContact CZ2-CD2 3.98Å; W209-L222 HydrophobicContact CZ2-CG 4.16Å; W209-F246 AromaticContact CD1-CD2 3.97Å; W209-F246 AromaticContact CE2-CD2 3.94Å; W209-F246 HydrophobicContact CG-CB 4.42Å; W209-F246 HydrophobicContact CZ2-CD2 4.4Å; W209-F246 AromaticContact NE1-CD2 3.49Å; W209-F246 AromaticContact NE1-CG 3.98Å
210Q86.1Confident88.8Confident68 Ų6863.8 Ų63.832%0.31835%0.346SS..SBendtrans-69.1-42175.4-177.8-178.1-3.400111.4V245 F246 A247 V308Q210-V245 HydrophobicContact CB-CG1 4.43Å; Q210-F246 PolarHBondContact N-O 2.8Å; Q210-A247 HydrophobicContact CB-CB 4.44Å; Q210-V308 HydrophobicContact CG-CB 4.43Å; Q210-V308 HydrophobicContact CG-CG2 4.01Å
211R83.1Confident88.8Confident125 Ų12558.4 Ų58.447%0.47232%0.321SS..SBendtrans-102.7149.2179.5-62.6-173.2-177.9-153.1-0.3111.7W213 D248R211-W213 HydrophobicContact CB-CG 4.48Å; R211-W213 PolarHBondContact O-N 2.84Å; R211-D248 IonicContact CZ-OD1 3.34Å; R211-D248 VanDerWaalsContact CZ-OD1 3.28Å; R211-D248 IonicContact CZ-OD2 2.7Å; R211-D248 VanDerWaalsContact CZ-OD2 3.3Å; R211-D248 IonicContact NE-OD1 3.42Å; R211-D248 PolarHBondContact NE-OD1 2.85Å; R211-D248 IonicContact NE-OD2 2.71Å; R211-D248 PolarHBondContact NE-OD2 3.37Å; R211-D248 VanDerWaalsContact NE-OD2 3.09Å; R211-D248 VanDerWaalsContact NH2-CG 3.27Å; R211-D248 IonicContact NH2-OD1 2.65Å; R211-D248 PolarHBondContact NH2-OD1 3.42Å; R211-D248 IonicContact NH2-OD2 3.1Å; R211-D248 PolarHBondContact NH2-OD2 3.32Å
212S80.9Confident89.1Confident125 Ų12553.7 Ų53.787%0.87430%0.3SS*.  trans-76.367.1173.553.70000111.6
213W82.8Confident89.4Confident87 Ų8756.7 Ų56.733%0.3331%0.314SS..  trans-68.7151.5174.1-67.7114.2000112.2R211 H217 K218R211-W213 HydrophobicContact CB-CG 4.48Å; R211-W213 PolarHBondContact O-N 2.84Å; W213-H217 HydrophobicContact CB-CB 4.24Å; W213-H217 AromaticContact CD1-ND1 3.77Å; W213-H217 AromaticContact CD2-CE1 3.75Å; W213-H217 AromaticContact CD2-ND1 3.36Å; W213-H217 AromaticContact CE2-CE1 3.82Å; W213-H217 AromaticContact CE2-ND1 3.88Å; W213-H217 AromaticContact CE3-ND1 3.76Å; W213-H217 AromaticContact CG-ND1 3.31Å; W213-H217 VanDerWaalsContact CG-ND1 3.31Å; W213-K218 HydrophobicContact CB-CG 4.11Å; W213-K218 VanDerWaalsContact O-CE 3.28Å; W213-K218 WeakPolarHBondContact O-CE 3.34Å
214G87.6Confident89.5Confident50 Ų5052.5 Ų52.552%0.51529%0.294SS..  trans-61.1151.4170.200000112A216 H217 K218G214-A216 PolarHBondContact O-N 2.88Å; G214-H217 PolarHBondContact O-N 2.93Å; G214-K218 PolarHBondContact O-N 2.94Å
215V89.6Confident89.3Confident34 Ų3451.9 Ų51.921%0.20629%0.291CS..Hα-helixtrans-54.2-40.4-175-176.10000112.1R187 R188 L191 H217 K218 C219R187-V215 HydrophobicContact CB-CG1 3.78Å; R187-V215 WeakPolarHBondContact O-CG1 3.46Å; R188-V215 HydrophobicContact CG-CG1 3.95Å; R188-V215 HydrophobicContact CG-CG2 3.92Å; L191-V215 HydrophobicContact CB-CG1 4.27Å; L191-V215 HydrophobicContact CD2-CG1 4.11Å; V215-H217 PolarHBondContact O-N 3.46Å; V215-K218 PolarHBondContact O-N 2.78Å; V215-C219 PolarHBondContact O-N 2.94Å; V215-C219 PolarHBondContact O-SG 3.48Å
216A88.3Confident89.3Confident53 Ų5349.5 Ų49.544%0.43827%0.269SS..Hα-helixtrans-59.6-44.3178.800000112.5G214 K218 C219 S220G214-A216 PolarHBondContact O-N 2.88Å; A216-K218 PolarHBondContact O-N 2.97Å; A216-C219 WeakPolarHBondContact O-CB 3.38Å; A216-C219 PolarHBondContact O-N 3.09Å; A216-S220 PolarHBondContact O-N 2.83Å; A216-S220 PolarHBondContact O-OG 3.1Å
217H89.9Confident89.1Confident61 Ų6153.6 Ų53.628%0.28228%0.281SS..Hα-helixtrans-66.1-40.3179.2-172.5-113.5000111.5W213 G214 V215 C219 S220 Q221W213-H217 HydrophobicContact CB-CB 4.24Å; W213-H217 AromaticContact CD1-ND1 3.77Å; W213-H217 AromaticContact CD2-CE1 3.75Å; W213-H217 AromaticContact CD2-ND1 3.36Å; W213-H217 AromaticContact CE2-CE1 3.82Å; W213-H217 AromaticContact CE2-ND1 3.88Å; W213-H217 AromaticContact CE3-ND1 3.76Å; W213-H217 AromaticContact CG-ND1 3.31Å; W213-H217 VanDerWaalsContact CG-ND1 3.31Å; G214-H217 PolarHBondContact O-N 2.93Å; V215-H217 PolarHBondContact O-N 3.46Å; H217-C219 VanDerWaalsContact C-N 3.34Å; H217-C219 PolarHBondContact O-N 2.8Å; H217-S220 PolarHBondContact O-N 2.8Å; H217-Q221 PolarHBondContact CE1-NE2 3.45Å; H217-Q221 PolarHBondContact ND1-NE2 3.34Å; H217-Q221 WeakPolarHBondContact O-CG 3.3Å; H217-Q221 PolarHBondContact O-N 2.95Å
218K90.9Very high88.9Confident46 Ų4653.6 Ų53.620%0.228%0.281CS..Hα-helixtrans-60.7-42.8174.3-62.6-173.9172.9178.70111.8L191 W209 W213 G214 V215 A216 S220 Q221 L222L191-K218 HydrophobicContact CD1-CB 3.55Å; L191-K218 HydrophobicContact CD2-CB 4Å; L191-K218 HydrophobicContact CD2-CD 3.97Å; L191-K218 HydrophobicContact CG-CB 4.47Å; W209-K218 HydrophobicContact CD2-CD 3.9Å; W209-K218 HydrophobicContact CD2-CG 4.22Å; W209-K218 HydrophobicContact CE3-CD 4.32Å; W209-K218 HydrophobicContact CG-CD 4.19Å; W209-K218 HydrophobicContact CG-CG 4.29Å; W209-K218 HydrophobicContact CZ2-CB 3.95Å; W209-K218 HydrophobicContact CZ2-CD 4.32Å; W209-K218 HydrophobicContact CZ2-CG 4.32Å; W213-K218 HydrophobicContact CB-CG 4.11Å; W213-K218 VanDerWaalsContact O-CE 3.28Å; W213-K218 WeakPolarHBondContact O-CE 3.34Å; G214-K218 PolarHBondContact O-N 2.94Å; V215-K218 PolarHBondContact O-N 2.78Å; A216-K218 PolarHBondContact O-N 2.97Å; K218-S220 PolarHBondContact O-N 3.24Å; K218-Q221 PolarHBondContact O-N 3.2Å; K218-L222 WeakPolarHBondContact O-CG 3.25Å; K218-L222 PolarHBondContact O-N 3.2Å; K218-L222 VanDerWaalsContact O-N 3.09Å
219C91.1Very high88.6Confident10 Ų1049.5 Ų49.57%0.06826%0.264CS..Hα-helixtrans-59.7-46174.5-66.80000111.5R187 V215 A216 H217 Q221 L222 Q223R187-C219 PolarHBondContact O-SG 2.73Å; R187-C219 VanDerWaalsContact O-SG 3.4Å; V215-C219 PolarHBondContact O-N 2.94Å; V215-C219 PolarHBondContact O-SG 3.48Å; A216-C219 WeakPolarHBondContact O-CB 3.38Å; A216-C219 PolarHBondContact O-N 3.09Å; H217-C219 VanDerWaalsContact C-N 3.34Å; H217-C219 PolarHBondContact O-N 2.8Å; C219-Q221 VanDerWaalsContact C-N 3.3Å; C219-Q221 PolarHBondContact O-N 3.46Å; C219-L222 PolarHBondContact O-N 3.2Å; C219-Q223 VanDerWaalsContact O-CG 3.32Å; C219-Q223 WeakPolarHBondContact O-CG 3.43Å; C219-Q223 PolarHBondContact O-N 2.9Å
220S90.2Very high88.3Confident58 Ų5853.7 Ų53.741%0.40629%0.286SS..Hα-helixtrans-61.7-36.9178.9-58.60000112.7A216 H217 K218 Q223 S224A216-S220 PolarHBondContact O-N 2.83Å; A216-S220 PolarHBondContact O-OG 3.1Å; H217-S220 PolarHBondContact O-N 2.8Å; K218-S220 PolarHBondContact O-N 3.24Å; S220-Q223 PolarHBondContact O-N 3.04Å; S220-S224 WeakPolarHBondContact O-CB 3.34Å; S220-S224 PolarHBondContact O-N 3.4Å; S220-S224 PolarHBondContact O-OG 2.94Å
221Q91.1Very high88.3Confident10 Ų1056.4 Ų56.45%0.04730%0.298CS..Hα-helixtrans-64.4-45.6174.6-72.3171.9-24.400112.2H217 K218 C219 S224 L225 F246H217-Q221 PolarHBondContact CE1-NE2 3.45Å; H217-Q221 PolarHBondContact ND1-NE2 3.34Å; H217-Q221 WeakPolarHBondContact O-CG 3.3Å; H217-Q221 PolarHBondContact O-N 2.95Å; K218-Q221 PolarHBondContact O-N 3.2Å; C219-Q221 VanDerWaalsContact C-N 3.3Å; C219-Q221 PolarHBondContact O-N 3.46Å; Q221-S224 WeakPolarHBondContact O-CB 3.18Å; Q221-S224 PolarHBondContact O-N 3.42Å; Q221-L225 PolarHBondContact O-N 3.01Å; Q221-F246 HydrophobicContact CB-CD1 4.01Å; Q221-F246 HydrophobicContact CB-CD2 4.49Å; Q221-F246 HydrophobicContact CB-CE1 3.79Å; Q221-F246 HydrophobicContact CB-CE2 4.3Å; Q221-F246 HydrophobicContact CB-CG 4.35Å; Q221-F246 HydrophobicContact CB-CZ 3.94Å; Q221-F246 HydrophobicContact CG-CD1 4.22Å; Q221-F246 HydrophobicContact CG-CE1 4.41Å
222L92.5Very high88.2Confident0 Ų053.3 Ų53.30%029%0.291CS..Hα-helixtrans-62.5-44.4175.4-65.1-169.8000111.4L191 L194 K195 L198 I207 W209 K218 C219 S224 L225 T226 F246L191-L222 HydrophobicContact CD1-CD1 3.59Å; L191-L222 HydrophobicContact CD1-CG 4.25Å; L194-L222 HydrophobicContact CB-CB 4.13Å; L194-L222 HydrophobicContact CB-CD1 3.68Å; L194-L222 HydrophobicContact CD1-CB 4.24Å; K195-L222 HydrophobicContact CB-CD1 4.03Å; L198-L222 HydrophobicContact CD1-CB 3.82Å; L198-L222 HydrophobicContact CD1-CD2 3.98Å; L198-L222 HydrophobicContact CD1-CG 4.33Å; I207-L222 HydrophobicContact CD1-CD2 4.1Å; I207-L222 HydrophobicContact CG2-CD2 3.99Å; W209-L222 HydrophobicContact CH2-CD1 4.49Å; W209-L222 HydrophobicContact CH2-CD2 4.44Å; W209-L222 HydrophobicContact CZ2-CD1 4.39Å; W209-L222 HydrophobicContact CZ2-CD2 3.98Å; W209-L222 HydrophobicContact CZ2-CG 4.16Å; K218-L222 WeakPolarHBondContact O-CG 3.25Å; K218-L222 PolarHBondContact O-N 3.2Å; K218-L222 VanDerWaalsContact O-N 3.09Å; C219-L222 PolarHBondContact O-N 3.2Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 3.49Å; L222-L225 CarbonylContact O-C 3.57Å; L222-L225 WeakPolarHBondContact O-CA 3.32Å; L222-L225 WeakPolarHBondContact O-CB 3.41Å; L222-L225 PolarHBondContact O-N 2.71Å; L222-T226 PolarHBondContact O-N 2.9Å; L222-T226 PolarHBondContact O-OG1 3.26Å; L222-F246 HydrophobicContact CD2-CE2 3.8Å; L222-F246 HydrophobicContact CD2-CZ 4.28Å
223Q91.4Very high88.2Confident81 Ų8151 Ų5138%0.37927%0.273SS..Hα-helixtrans-61.2-37.4175.7-72172.9-11.500112.2L194 C219 S220 L225 T226 R227L194-Q223 HydrophobicContact CD1-CG 3.9Å; C219-Q223 VanDerWaalsContact O-CG 3.32Å; C219-Q223 WeakPolarHBondContact O-CG 3.43Å; C219-Q223 PolarHBondContact O-N 2.9Å; S220-Q223 PolarHBondContact O-N 3.04Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; Q223-T226 WeakPolarHBondContact O-CB 3.31Å; Q223-T226 PolarHBondContact O-N 3.05Å; Q223-R227 WeakPolarHBondContact O-CG 3.45Å; Q223-R227 PolarHBondContact O-N 3.36Å
224S90.9Very high87.9Confident22 Ų2253.6 Ų53.615%0.15429%0.289CS..Hα-helixtrans-62.5-39.9172.4-73.40000112.2S220 Q221 L222 R227 L228 H266S220-S224 WeakPolarHBondContact O-CB 3.34Å; S220-S224 PolarHBondContact O-N 3.4Å; S220-S224 PolarHBondContact O-OG 2.94Å; Q221-S224 WeakPolarHBondContact O-CB 3.18Å; Q221-S224 PolarHBondContact O-N 3.42Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 3.49Å; S224-R227 PolarHBondContact O-N 3.44Å; S224-R227 PolarHBondContact OG-NH2 3.37Å; S224-L228 PolarHBondContact O-N 2.92Å; S224-H266 PolarHBondContact O-NE2 2.87Å
225L89.5Confident87.3Confident1 Ų152.6 Ų52.61%0.00527%0.272CS..Hα-helixtrans-67.9-40.5173.9-174.361.6000111.8L198 Q221 L222 Q223 R227 L228 S229 F246 L260 F273L198-L225 HydrophobicContact CD1-CD2 4.41Å; Q221-L225 PolarHBondContact O-N 3.01Å; L222-L225 CarbonylContact O-C 3.57Å; L222-L225 WeakPolarHBondContact O-CA 3.32Å; L222-L225 WeakPolarHBondContact O-CB 3.41Å; L222-L225 PolarHBondContact O-N 2.71Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 3.06Å; L225-L228 WeakPolarHBondContact O-CB 3.44Å; L225-L228 PolarHBondContact O-N 3.33Å; L225-S229 PolarHBondContact O-N 3.04Å; L225-F246 HydrophobicContact CD2-CZ 4.45Å; L225-L260 HydrophobicContact CD1-CD1 4.15Å; L225-F273 HydrophobicContact CD1-CZ 4.49Å
226T90.1Very high86.9Confident20 Ų2051.2 Ų51.212%0.12326%0.263CS..Hα-helixtrans-57.2-47.9172.9-49.30000110.8L198 L222 Q223 L228 S229 H230L198-T226 HydrophobicContact CD2-CG2 4.45Å; L198-T226 WeakPolarHBondContact CD2-OG1 3.45Å; L222-T226 PolarHBondContact O-N 2.9Å; L222-T226 PolarHBondContact O-OG1 3.26Å; Q223-T226 WeakPolarHBondContact O-CB 3.31Å; Q223-T226 PolarHBondContact O-N 3.05Å; T226-L228 VanDerWaalsContact C-N 3.32Å; T226-L228 PolarHBondContact O-N 3.27Å; T226-S229 WeakPolarHBondContact O-CB 3.21Å; T226-S229 PolarHBondContact O-N 3.17Å; T226-S229 VanDerWaalsContact O-N 3.13Å; T226-S229 PolarHBondContact O-OG 3.32Å; T226-H230 PolarHBondContact O-CD2 2.89Å; T226-H230 PolarHBondContact O-N 3.47Å
227R89.9Confident86.6Confident133 Ų13352.7 Ų52.750%0.50226%0.263SS..Hα-helixtrans-59.1-42.1176.9-75.5-176.6-67.9-148.21112.2Q223 S224 L225 S229 H230 Q231Q223-R227 WeakPolarHBondContact O-CG 3.45Å; Q223-R227 PolarHBondContact O-N 3.36Å; S224-R227 PolarHBondContact O-N 3.44Å; S224-R227 PolarHBondContact OG-NH2 3.37Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 3.06Å; R227-S229 VanDerWaalsContact C-N 3.26Å; R227-S229 PolarHBondContact O-N 2.95Å; R227-H230 PolarHBondContact O-N 3.08Å; R227-Q231 PolarHBondContact O-N 2.98Å
228L87.4Confident86.3Confident0 Ų052.7 Ų52.70%027%0.265CS..Hα-helixtrans-59-41.2176.2-169.850.2000112S224 L225 T226 H230 Q231 N232 H266 W269 F273S224-L228 PolarHBondContact O-N 2.92Å; L225-L228 WeakPolarHBondContact O-CB 3.44Å; L225-L228 PolarHBondContact O-N 3.33Å; T226-L228 VanDerWaalsContact C-N 3.32Å; T226-L228 PolarHBondContact O-N 3.27Å; L228-H230 PolarHBondContact O-N 2.64Å; L228-Q231 PolarHBondContact O-N 2.94Å; L228-N232 PolarHBondContact O-N 2.69Å; L228-H266 HydrophobicContact CD1-CB 4.01Å; L228-W269 HydrophobicContact CD2-CB 3.83Å; L228-W269 HydrophobicContact CD2-CE3 3.82Å; L228-F273 HydrophobicContact CD2-CE2 3.6Å; L228-F273 HydrophobicContact CD2-CZ 4.26Å
229S85.5Confident86.1Confident7 Ų750.5 Ų50.55%0.04926%0.255CS..Hα-helixtrans-63.2-29.418081.20000114.2K201 L225 T226 R227 Q231K201-S229 PolarHBondContact NZ-OG 3.08Å; K201-S229 VanDerWaalsContact NZ-OG 3.17Å; L225-S229 PolarHBondContact O-N 3.04Å; T226-S229 WeakPolarHBondContact O-CB 3.21Å; T226-S229 PolarHBondContact O-N 3.17Å; T226-S229 VanDerWaalsContact O-N 3.13Å; T226-S229 PolarHBondContact O-OG 3.32Å; R227-S229 VanDerWaalsContact C-N 3.26Å; R227-S229 PolarHBondContact O-N 2.95Å; S229-Q231 VanDerWaalsContact C-N 3.35Å
230H86.1Confident85.9Confident136 Ų13654.6 Ų54.663%0.6327%0.274SS*.Hα-helixtrans-76.4-26.6175.7-69.7-69.1000112.2T226 R227 L228T226-H230 PolarHBondContact O-CD2 2.89Å; T226-H230 PolarHBondContact O-N 3.47Å; R227-H230 PolarHBondContact O-N 3.08Å; L228-H230 PolarHBondContact O-N 2.64Å
231Q85.5Confident85.7Confident126 Ų12654.5 Ų54.559%0.58928%0.282SS*.Hα-helixtrans-85.3-42.4-178.6-68.1177.3-13.400112.1R227 L228 S229R227-Q231 PolarHBondContact O-N 2.98Å; L228-Q231 PolarHBondContact O-N 2.94Å; S229-Q231 VanDerWaalsContact C-N 3.35Å
232N81.2Confident85.7Confident59 Ų5954.8 Ų54.832%0.31628%0.283SS..  trans-136.873.5-173.6-59.9-61.6000111.8L228 E234 L236L228-N232 PolarHBondContact O-N 2.69Å; N232-E234 VanDerWaalsContact C-N 3.33Å; N232-E234 PolarHBondContact O-N 3Å; N232-L236 WeakPolarHBondContact O-CD1 3.15Å
233P79.8Confident85.7Confident76 Ų7655.5 Ų55.549%0.49429%0.288SS..THydrogen-bonded Turntrans-65.8-32.4-17726-34.1000113.7D235 L236P233-D235 PolarHBondContact O-N 3.47Å; P233-L236 PolarHBondContact O-N 3.38Å
234E78.2Confident85.8Confident142 Ų14251.7 Ų51.766%0.66427%0.27SS*.THydrogen-bonded Turntrans-63.9-41.5-175.9-60.2-59.2139.500112.8N232 L236 I237N232-E234 VanDerWaalsContact C-N 3.33Å; N232-E234 PolarHBondContact O-N 3Å; E234-L236 PolarHBondContact O-N 2.67Å; E234-I237 WeakPolarHBondContact O-CB 3.17Å; E234-I237 WeakPolarHBondContact O-CG1 3.4Å; E234-I237 PolarHBondContact O-N 3.38Å
235D74.8Confident85.9Confident29 Ų2951 Ų5116%0.15526%0.264CS..G310 helixtrans-69.6-24.1-178.9-64-55.7000112.2P233 I237 N238 T270 F273 Q274P233-D235 PolarHBondContact O-N 3.47Å; D235-I237 VanDerWaalsContact C-N 3.25Å; D235-I237 PolarHBondContact O-N 3.19Å; D235-N238 PolarHBondContact O-N 3.49Å; D235-T270 HydrophobicContact CB-CG2 4.28Å; D235-T270 WeakPolarHBondContact OD2-CG2 3.49Å; D235-F273 HydrophobicContact CB-CB 4.18Å; D235-F273 WeakPolarHBondContact O-CB 3.44Å; D235-Q274 WeakPolarHBondContact OD1-CG 3.36Å; D235-Q274 PolarHBondContact OD1-NE2 3.24Å
236L79.7Confident86Confident5 Ų550.9 Ų50.93%0.02626%0.264CS..G310 helixtrans-75-11.7178.9-81.290.3000113.3F202 N232 P233 E234 N238 L239 F273F202-L236 HydrophobicContact CD1-CB 4.18Å; F202-L236 HydrophobicContact CD1-CD2 3.57Å; F202-L236 HydrophobicContact CD2-CD2 4.14Å; F202-L236 HydrophobicContact CE1-CB 4.49Å; F202-L236 HydrophobicContact CE1-CD2 3.4Å; F202-L236 HydrophobicContact CE2-CD2 3.94Å; F202-L236 HydrophobicContact CG-CD2 3.98Å; F202-L236 HydrophobicContact CZ-CD2 3.63Å; N232-L236 WeakPolarHBondContact O-CD1 3.15Å; P233-L236 PolarHBondContact O-N 3.38Å; E234-L236 PolarHBondContact O-N 2.67Å; L236-N238 PolarHBondContact O-N 2.93Å; L236-L239 HydrophobicContact CB-CD1 4.38Å; L236-L239 HydrophobicContact CD2-CD1 4.21Å; L236-L239 HydrophobicContact CG-CD1 3.96Å; L236-L239 WeakPolarHBondContact O-CB 3.45Å; L236-L239 PolarHBondContact O-N 2.91Å; L236-F273 HydrophobicContact CD1-CE2 4.45Å; L236-F273 HydrophobicContact CG-CD2 4.49Å; L236-F273 HydrophobicContact CG-CE2 4.35Å
237I82.1Confident86.1Confident84 Ų8450 Ų5043%0.43126%0.259SS..G310 helixtrans-59.3-34.9173.9-62170.8000110.4E234 D235 L239 Q240E234-I237 WeakPolarHBondContact O-CB 3.17Å; E234-I237 WeakPolarHBondContact O-CG1 3.4Å; E234-I237 PolarHBondContact O-N 3.38Å; D235-I237 VanDerWaalsContact C-N 3.25Å; D235-I237 PolarHBondContact O-N 3.19Å; I237-L239 PolarHBondContact O-N 2.89Å; I237-Q240 WeakPolarHBondContact O-CB 3.45Å; I237-Q240 VanDerWaalsContact O-CG 3.25Å; I237-Q240 WeakPolarHBondContact O-CG 3.36Å; I237-Q240 PolarHBondContact O-N 3.23Å
238N84.8Confident86Confident61 Ų6146.9 Ų46.933%0.32625%0.252SS..G310 helixtrans-68.5-15.3179.4-66.1-28.8000113.7D235 L236 H242 F273 L276D235-N238 PolarHBondContact O-N 3.49Å; L236-N238 PolarHBondContact O-N 2.93Å; N238-H242 PolarHBondContact O-CE1 2.95Å; N238-H242 PolarHBondContact O-ND1 3.35Å; N238-F273 PolarHBondContact ND2-O 2.94Å; N238-L276 HydrophobicContact CB-CB 4.23Å; N238-L276 HydrophobicContact CB-CD1 3.89Å
239L85.2Confident86Confident1 Ų150.7 Ų50.71%0.00527%0.27CS..G310 helixtrans-82.4-13.1178.1-72171.8000113.8L204 L236 I237 G241 H242 V244 V258 F273 L276L204-L239 HydrophobicContact CD2-CB 3.91Å; L204-L239 WeakPolarHBondContact CD2-O 3.41Å; L236-L239 HydrophobicContact CB-CD1 4.38Å; L236-L239 HydrophobicContact CD2-CD1 4.21Å; L236-L239 HydrophobicContact CG-CD1 3.96Å; L236-L239 WeakPolarHBondContact O-CB 3.45Å; L236-L239 PolarHBondContact O-N 2.91Å; I237-L239 PolarHBondContact O-N 2.89Å; L239-G241 PolarHBondContact O-N 3.42Å; L239-H242 WeakPolarHBondContact O-CB 3.32Å; L239-H242 PolarHBondContact O-N 3.28Å; L239-H242 PolarHBondContact O-ND1 3.15Å; L239-V244 HydrophobicContact CD2-CG2 4.38Å; L239-V258 HydrophobicContact CD2-CB 4.21Å; L239-V258 HydrophobicContact CD2-CG1 3.94Å; L239-V258 HydrophobicContact CD2-CG2 4.04Å; L239-F273 HydrophobicContact CD1-CD1 4.02Å; L239-F273 HydrophobicContact CD1-CD2 4.25Å; L239-F273 HydrophobicContact CD1-CE1 3.67Å; L239-F273 HydrophobicContact CD1-CE2 3.9Å; L239-F273 HydrophobicContact CD1-CG 4.32Å; L239-F273 HydrophobicContact CD1-CZ 3.62Å; L239-F273 HydrophobicContact CD2-CD1 3.71Å; L239-F273 HydrophobicContact CD2-CE1 3.6Å; L239-F273 HydrophobicContact CD2-CZ 4.39Å; L239-F273 HydrophobicContact CG-CD1 3.9Å; L239-F273 HydrophobicContact CG-CE1 3.95Å; L239-F273 HydrophobicContact CG-CG 4.33Å; L239-F273 HydrophobicContact CG-CZ 4.39Å; L239-L276 HydrophobicContact CD2-CD1 3.73Å; L239-L276 HydrophobicContact CG-CD1 4.21Å
240Q87.6Confident86.3Confident96 Ų9651.8 Ų51.845%0.44928%0.277SS..THydrogen-bonded Turntrans-54.8132.7-176.6-68.2176.98.400111.5L203 I237 H242L203-Q240 HydrophobicContact CB-CG 4.4Å; I237-Q240 WeakPolarHBondContact O-CB 3.45Å; I237-Q240 VanDerWaalsContact O-CG 3.25Å; I237-Q240 WeakPolarHBondContact O-CG 3.36Å; I237-Q240 PolarHBondContact O-N 3.23Å; Q240-H242 VanDerWaalsContact C-N 3.26Å; Q240-H242 PolarHBondContact O-N 3.39Å; Q240-H242 PolarHBondContact O-ND1 3.04Å; Q240-H242 VanDerWaalsContact O-ND1 3.1Å
241G87Confident86.5Confident56 Ų5645.6 Ų45.658%0.57725%0.25SC*.THydrogen-bonded Turntrans75.8-0.9-179.500000115.9L203 L239L203-G241 PolarHBondContact O-N 3.11Å; L239-G241 PolarHBondContact O-N 3.42Å
242H90.2Very high86.8Confident15 Ų1539.6 Ų39.67%0.06922%0.222CC..PPolyproline II helixtrans-92.2154.4176.8-5882.9000111.7A205 N238 L239 Q240 V258 R280A205-H242 PolarHBondContact N-O 3.19Å; N238-H242 PolarHBondContact O-CE1 2.95Å; N238-H242 PolarHBondContact O-ND1 3.35Å; L239-H242 WeakPolarHBondContact O-CB 3.32Å; L239-H242 PolarHBondContact O-N 3.28Å; L239-H242 PolarHBondContact O-ND1 3.15Å; Q240-H242 VanDerWaalsContact C-N 3.26Å; Q240-H242 PolarHBondContact O-N 3.39Å; Q240-H242 PolarHBondContact O-ND1 3.04Å; Q240-H242 VanDerWaalsContact O-ND1 3.1Å; H242-V258 HydrophobicContact CB-CG2 3.85Å; H242-R280 PolarHBondContact CE1-NH2 2.91Å; H242-R280 PolarHBondContact NE2-NH2 3.34Å
243T93Very high87.3Confident16 Ų1637.2 Ų37.210%0.09821%0.209CC..EExtended strand (participates in β ladder)trans-86.2133.5163.4-59.30000108.6D206 K208 V245 D257 V258D206-T243 HydrophobicContact CB-CG2 4.02Å; D206-T243 CarbonylContact O-C 3.22Å; D206-T243 VanDerWaalsContact O-CA 3.29Å; D206-T243 WeakPolarHBondContact O-CA 3.44Å; D206-T243 WeakPolarHBondContact O-CG2 3.29Å; K208-T243 HydrophobicContact CD-CG2 3.87Å; K208-T243 HydrophobicContact CG-CG2 4.04Å; T243-V245 HydrophobicContact CG2-CG2 4.29Å; T243-D257 VanDerWaalsContact CB-OD1 3.27Å; T243-D257 WeakPolarHBondContact CB-OD1 3.5Å; T243-D257 HydrophobicContact CG2-CB 4.44Å; T243-D257 CarbonylContact O-C 3.55Å; T243-D257 WeakPolarHBondContact O-CA 3.39Å; T243-D257 WeakPolarHBondContact O-CB 3.08Å; T243-V258 PolarHBondContact O-N 2.98Å
244V93.1Very high87.5Confident0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-98.9128.1175177.20000109.5L204 D206 I207 K208 L239 V258 L260L204-V244 HydrophobicContact CD1-CG2 3.98Å; L204-V244 HydrophobicContact CD2-CG2 4.14Å; D206-V244 PolarHBondContact O-N 3.48Å; I207-V244 CarbonylContact C-O 3.4Å; I207-V244 WeakPolarHBondContact CA-O 3.48Å; I207-V244 HydrophobicContact CG1-CB 4.49Å; K208-V244 PolarHBondContact N-O 2.89Å; L239-V244 HydrophobicContact CD2-CG2 4.38Å; V244-V258 CarbonylContact C-O 3.59Å; V244-V258 WeakPolarHBondContact CA-O 3.32Å; V244-L260 HydrophobicContact CG1-CD1 3.5Å; V244-L260 HydrophobicContact CG1-CG 3.84Å
245V93Very high87.8Confident7 Ų730.8 Ų30.84%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-117.8118.1179.5-175.20000109.2K208 Q210 T243 A247 D257 V258 M259 L260K208-V245 HydrophobicContact CB-CG2 4.22Å; K208-V245 WeakPolarHBondContact O-CA 3.43Å; Q210-V245 HydrophobicContact CB-CG1 4.43Å; T243-V245 HydrophobicContact CG2-CG2 4.29Å; V245-A247 PolarHBondContact O-N 3.27Å; V245-D257 HydrophobicContact CG2-CB 3.64Å; V245-V258 PolarHBondContact N-O 3.48Å; V245-M259 CarbonylContact O-C 3.59Å; V245-M259 VanDerWaalsContact O-CA 3.27Å; V245-M259 WeakPolarHBondContact O-CA 3.35Å; V245-L260 PolarHBondContact O-N 3.21Å
246F92.3Very high88.4Confident0 Ų029.7 Ų29.70%018%0.178CC..EExtended strand (participates in β ladder)trans-74.9116.9169.1-70.2-79.8000109.8I207 K208 W209 Q210 Q221 L222 L225 L260 T262 W269I207-F246 HydrophobicContact CG2-CD2 4.15Å; I207-F246 HydrophobicContact CG2-CE2 3.81Å; K208-F246 PolarHBondContact O-N 2.89Å; W209-F246 AromaticContact CD1-CD2 3.97Å; W209-F246 AromaticContact CE2-CD2 3.94Å; W209-F246 HydrophobicContact CG-CB 4.42Å; W209-F246 HydrophobicContact CZ2-CD2 4.4Å; W209-F246 AromaticContact NE1-CD2 3.49Å; W209-F246 AromaticContact NE1-CG 3.98Å; Q210-F246 PolarHBondContact N-O 2.8Å; Q221-F246 HydrophobicContact CB-CD1 4.01Å; Q221-F246 HydrophobicContact CB-CD2 4.49Å; Q221-F246 HydrophobicContact CB-CE1 3.79Å; Q221-F246 HydrophobicContact CB-CE2 4.3Å; Q221-F246 HydrophobicContact CB-CG 4.35Å; Q221-F246 HydrophobicContact CB-CZ 3.94Å; Q221-F246 HydrophobicContact CG-CD1 4.22Å; Q221-F246 HydrophobicContact CG-CE1 4.41Å; L222-F246 HydrophobicContact CD2-CE2 3.8Å; L222-F246 HydrophobicContact CD2-CZ 4.28Å; L225-F246 HydrophobicContact CD2-CZ 4.45Å; F246-L260 WeakPolarHBondContact CA-O 3.41Å; F246-L260 HydrophobicContact CD1-CB 3.95Å; F246-L260 HydrophobicContact CE1-CB 4.09Å; F246-L260 HydrophobicContact CE1-CD1 3.91Å; F246-L260 HydrophobicContact CZ-CD1 4.22Å; F246-T262 HydrophobicContact CB-CG2 4.34Å; F246-W269 HydrophobicContact CE1-CH2 4.01Å
247A91.2Very high89Confident1 Ų130.9 Ų30.91%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-132.5176.8-168.700000111.5Q210 V245 Q249 M259 L260 G261 T262Q210-A247 HydrophobicContact CB-CB 4.44Å; V245-A247 PolarHBondContact O-N 3.27Å; A247-Q249 VanDerWaalsContact C-N 3.28Å; A247-Q249 PolarHBondContact O-N 3.33Å; A247-M259 HydrophobicContact CB-CB 4.03Å; A247-M259 HydrophobicContact CB-CE 3.52Å; A247-M259 HydrophobicContact CB-CG 4.31Å; A247-L260 PolarHBondContact N-O 3.05Å; A247-G261 CarbonylContact O-C 3.59Å; A247-G261 VanDerWaalsContact O-CA 3.27Å; A247-G261 WeakPolarHBondContact O-CA 3.41Å; A247-T262 WeakPolarHBondContact O-CG2 3.46Å; A247-T262 PolarHBondContact O-N 2.89Å
248D88.2Confident89.5Confident67 Ų6726.9 Ų26.936%0.35816%0.163SC..SBendtrans-73-25179.1-64.1-27.4000112.7R211R211-D248 IonicContact CZ-OD1 3.34Å; R211-D248 VanDerWaalsContact CZ-OD1 3.28Å; R211-D248 IonicContact CZ-OD2 2.7Å; R211-D248 VanDerWaalsContact CZ-OD2 3.3Å; R211-D248 IonicContact NE-OD1 3.42Å; R211-D248 PolarHBondContact NE-OD1 2.85Å; R211-D248 IonicContact NE-OD2 2.71Å; R211-D248 PolarHBondContact NE-OD2 3.37Å; R211-D248 VanDerWaalsContact NE-OD2 3.09Å; R211-D248 VanDerWaalsContact NH2-CG 3.27Å; R211-D248 IonicContact NH2-OD1 2.65Å; R211-D248 PolarHBondContact NH2-OD1 3.42Å; R211-D248 IonicContact NH2-OD2 3.1Å; R211-D248 PolarHBondContact NH2-OD2 3.32Å
249Q88.6Confident89.9Confident81 Ų8124 Ų2438%0.37915%0.148SC..SBendtrans-133149.9-179.361.5-170.8-16.700111.3A247 M259A247-Q249 VanDerWaalsContact C-N 3.28Å; A247-Q249 PolarHBondContact O-N 3.33Å; Q249-M259 HydrophobicContact CG-CE 3.8Å; Q249-M259 WeakPolarHBondContact O-CB 3.27Å
250S91Very high90.2Very high30 Ų3023.9 Ų23.921%0.2115%0.148CC..  trans-81.5139.9173-70.50000112.1M259 G261 D264S250-M259 CarbonylContact C-O 3.02Å; S250-M259 VanDerWaalsContact CA-O 3.29Å; S250-M259 WeakPolarHBondContact CA-O 3.29Å; S250-G261 PolarHBondContact OG-N 2.94Å; S250-D264 WeakPolarHBondContact CB-OD2 3.38Å; S250-D264 PolarHBondContact N-OD2 3.36Å; S250-D264 PolarHBondContact OG-OD2 3.05Å
251G91.1Very high90.4Very high5 Ų519.3 Ų19.35%0.05213%0.126CC..EExtended strand (participates in β ladder)trans163.5-156.8-178.600000113M259G251-M259 PolarHBondContact N-O 3.31Å; G251-M259 WeakPolarHBondContact O-CA 3.45Å; G251-M259 PolarHBondContact O-N 3.05Å
252M91.7Very high90.4Very high1 Ų117.8 Ų17.81%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-124137.2167.3-179.3176.5-77.800108.2D257 V258 L276 Y279 P310 I311M252-D257 WeakPolarHBondContact CA-O 3.44Å; M252-V258 HydrophobicContact CE-CG2 4.24Å; M252-L276 HydrophobicContact CE-CD2 3.82Å; M252-Y279 HydrophobicContact CB-CD1 4.19Å; M252-Y279 HydrophobicContact CB-CG 4.14Å; M252-P310 WeakPolarHBondContact O-CA 3.32Å; M252-I311 HydrophobicContact CB-CG2 4.22Å; M252-I311 WeakPolarHBondContact O-CB 3.19Å; M252-I311 PolarHBondContact O-N 3.38Å; M252-I311 HydrophobicContact SD-CD1 4.4Å
253N90.6Very high90.2Very high9 Ų924.2 Ų24.25%0.04814%0.138CC..BIsolated β-bridgetrans-81.6172178.376.17.6000111.9S255 G256 D257 M259 V308 Q309N253-S255 PolarHBondContact O-N 3.11Å; N253-S255 VanDerWaalsContact O-N 3.14Å; N253-S255 WeakPolarHBondContact OD1-CA 2.99Å; N253-S255 WeakPolarHBondContact OD1-CB 3.05Å; N253-S255 PolarHBondContact OD1-N 2.67Å; N253-G256 PolarHBondContact O-N 2.81Å; N253-G256 VanDerWaalsContact O-N 3.1Å; N253-G256 PolarHBondContact OD1-N 2.79Å; N253-D257 PolarHBondContact N-O 2.63Å; N253-D257 WeakPolarHBondContact ND2-CB 3.28Å; N253-D257 PolarHBondContact ND2-OD2 2.94Å; N253-D257 PolarHBondContact OD1-N 2.7Å; N253-D257 PolarHBondContact OD1-O 3.15Å; N253-M259 HydrophobicContact CB-CG 4.01Å; N253-M259 HydrophobicContact CB-SD 3.66Å; N253-V308 HydrophobicContact CB-CG1 3.62Å; N253-Q309 VanDerWaalsContact CA-O 3.31Å; N253-Q309 WeakPolarHBondContact CA-O 3.48Å
254A85.2Confident89.8Confident4 Ų426.3 Ų26.33%0.03315%0.148CC..THydrogen-bonded Turntrans-62.6-15.517700000115.2Q309 H314A254-Q309 PolarHBondContact N-O 3.02Å; A254-H314 HydrophobicContact CB-CB 3.95Å; A254-H314 VanDerWaalsContact CB-CD2 3.47Å; A254-H314 WeakPolarHBondContact CB-CD2 3.48Å
255S84.1Confident89.5Confident78 Ų7831.3 Ų31.355%0.54518%0.179SC..THydrogen-bonded Turntrans-91.4-8.5177.2-57.90000113N253N253-S255 PolarHBondContact O-N 3.11Å; N253-S255 VanDerWaalsContact O-N 3.14Å; N253-S255 WeakPolarHBondContact OD1-CA 2.99Å; N253-S255 WeakPolarHBondContact OD1-CB 3.05Å; N253-S255 PolarHBondContact OD1-N 2.67Å
256G87Confident89.2Confident7 Ų733.5 Ų33.57%0.07219%0.188CC..SBendtrans88.78.1-175.400000114.7N253N253-G256 PolarHBondContact O-N 2.81Å; N253-G256 VanDerWaalsContact O-N 3.1Å; N253-G256 PolarHBondContact OD1-N 2.79Å
257D91.6Very high89Confident29 Ų2939 Ų3916%0.15521%0.214CC..PPolyproline II helixtrans-79.7141.9172.8-45.7-45.9000110.4T243 V245 M252 N253 M259T243-D257 VanDerWaalsContact CB-OD1 3.27Å; T243-D257 WeakPolarHBondContact CB-OD1 3.5Å; T243-D257 HydrophobicContact CG2-CB 4.44Å; T243-D257 CarbonylContact O-C 3.55Å; T243-D257 WeakPolarHBondContact O-CA 3.39Å; T243-D257 WeakPolarHBondContact O-CB 3.08Å; V245-D257 HydrophobicContact CG2-CB 3.64Å; M252-D257 WeakPolarHBondContact CA-O 3.44Å; N253-D257 PolarHBondContact N-O 2.63Å; N253-D257 WeakPolarHBondContact ND2-CB 3.28Å; N253-D257 PolarHBondContact ND2-OD2 2.94Å; N253-D257 PolarHBondContact OD1-N 2.7Å; N253-D257 PolarHBondContact OD1-O 3.15Å; D257-M259 PolarHBondContact O-N 2.81Å
258V93Very high88.8Confident0 Ų043.2 Ų43.20%023%0.233CC..EExtended strand (participates in β ladder)trans-83.2117.8-179.8-179.10000109.3L239 H242 T243 V244 V245 M252 L260 L272 F273 L276L239-V258 HydrophobicContact CD2-CB 4.21Å; L239-V258 HydrophobicContact CD2-CG1 3.94Å; L239-V258 HydrophobicContact CD2-CG2 4.04Å; H242-V258 HydrophobicContact CB-CG2 3.85Å; T243-V258 PolarHBondContact O-N 2.98Å; V244-V258 CarbonylContact C-O 3.59Å; V244-V258 WeakPolarHBondContact CA-O 3.32Å; V245-V258 PolarHBondContact N-O 3.48Å; M252-V258 HydrophobicContact CE-CG2 4.24Å; V258-L260 HydrophobicContact CG1-CD2 4.5Å; V258-L272 HydrophobicContact CG1-CD2 3.88Å; V258-F273 HydrophobicContact CG1-CE1 4.37Å; V258-L276 HydrophobicContact CG1-CD2 4.16Å; V258-L276 HydrophobicContact CG2-CD1 4.4Å; V258-L276 HydrophobicContact CG2-CD2 3.66Å
259M93.1Very high88.9Confident0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-89.5125.3179.3-61.3171.466.100110.3V245 A247 Q249 S250 G251 N253 D257 L272 V308V245-M259 CarbonylContact O-C 3.59Å; V245-M259 VanDerWaalsContact O-CA 3.27Å; V245-M259 WeakPolarHBondContact O-CA 3.35Å; A247-M259 HydrophobicContact CB-CB 4.03Å; A247-M259 HydrophobicContact CB-CE 3.52Å; A247-M259 HydrophobicContact CB-CG 4.31Å; Q249-M259 HydrophobicContact CG-CE 3.8Å; Q249-M259 WeakPolarHBondContact O-CB 3.27Å; S250-M259 CarbonylContact C-O 3.02Å; S250-M259 VanDerWaalsContact CA-O 3.29Å; S250-M259 WeakPolarHBondContact CA-O 3.29Å; G251-M259 PolarHBondContact N-O 3.31Å; G251-M259 WeakPolarHBondContact O-CA 3.45Å; G251-M259 PolarHBondContact O-N 3.05Å; N253-M259 HydrophobicContact CB-CG 4.01Å; N253-M259 HydrophobicContact CB-SD 3.66Å; D257-M259 PolarHBondContact O-N 2.81Å; M259-L272 VanDerWaalsContact O-CD2 3.28Å; M259-L272 WeakPolarHBondContact O-CD2 3.37Å; M259-V308 HydrophobicContact CE-CB 4.28Å; M259-V308 HydrophobicContact CE-CG1 3.48Å; M259-V308 VanDerWaalsContact CE-CG1 3.48Å; M259-V308 HydrophobicContact CG-CG1 4Å; M259-V308 HydrophobicContact SD-CG1 3.51Å; M259-V308 VanDerWaalsContact SD-CG1 3.51Å
260L92.6Very high88.9Confident0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-108.5116.2172.4-64.2-176.4000109.7L225 V244 V245 F246 A247 V258 T262 W269 L272 F273L225-L260 HydrophobicContact CD1-CD1 4.15Å; V244-L260 HydrophobicContact CG1-CD1 3.5Å; V244-L260 HydrophobicContact CG1-CG 3.84Å; V245-L260 PolarHBondContact O-N 3.21Å; F246-L260 WeakPolarHBondContact CA-O 3.41Å; F246-L260 HydrophobicContact CD1-CB 3.95Å; F246-L260 HydrophobicContact CE1-CB 4.09Å; F246-L260 HydrophobicContact CE1-CD1 3.91Å; F246-L260 HydrophobicContact CZ-CD1 4.22Å; A247-L260 PolarHBondContact N-O 3.05Å; V258-L260 HydrophobicContact CG1-CD2 4.5Å; L260-T262 PolarHBondContact O-N 3.18Å; L260-W269 HydrophobicContact CB-CD2 4.49Å; L260-W269 HydrophobicContact CB-CZ2 4.25Å; L260-W269 HydrophobicContact CD1-CD2 4.36Å; L260-W269 HydrophobicContact CD1-CE3 4.21Å; L260-W269 HydrophobicContact CD1-CZ3 4.39Å; L260-W269 HydrophobicContact CD2-CB 4.2Å; L260-W269 HydrophobicContact CD2-CD2 4.06Å; L260-W269 HydrophobicContact CD2-CG 3.84Å; L260-L272 HydrophobicContact CD2-CD2 3.97Å; L260-F273 HydrophobicContact CD2-CE1 3.77Å; L260-F273 HydrophobicContact CD2-CZ 3.94Å
261G91.4Very high88.8Confident0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-63.7125.4177.800000111.1A247 S250 M263 D264 W269A247-G261 CarbonylContact O-C 3.59Å; A247-G261 VanDerWaalsContact O-CA 3.27Å; A247-G261 WeakPolarHBondContact O-CA 3.41Å; S250-G261 PolarHBondContact OG-N 2.94Å; G261-M263 PolarHBondContact O-N 3.17Å; G261-D264 WeakPolarHBondContact CA-OD2 3.27Å; G261-D264 PolarHBondContact O-N 2.77Å; G261-W269 WeakPolarHBondContact O-CZ2 3.29Å; G261-W269 PolarHBondContact O-NE1 2.85Å
262T87.1Confident88.8Confident24 Ų2440.3 Ų40.315%0.14721%0.212CC..THydrogen-bonded Turntrans-65.4-23.6-177.559.20000114F246 A247 L260F246-T262 HydrophobicContact CB-CG2 4.34Å; A247-T262 WeakPolarHBondContact O-CG2 3.46Å; A247-T262 PolarHBondContact O-N 2.89Å; L260-T262 PolarHBondContact O-N 3.18Å
263M84.6Confident88.7Confident150 Ų15040.2 Ų40.274%0.73921%0.212SC*.THydrogen-bonded Turntrans-97.9-4.4178.8-59.3-6883.900113.3G261G261-M263 PolarHBondContact O-N 3.17Å
264D85.4Confident88.7Confident60 Ų6045 Ų4532%0.32123%0.234SC..  trans-81.1148.2-174.5-72.2-32000111.9S250 G261 Q268S250-D264 WeakPolarHBondContact CB-OD2 3.38Å; S250-D264 PolarHBondContact N-OD2 3.36Å; S250-D264 PolarHBondContact OG-OD2 3.05Å; G261-D264 WeakPolarHBondContact CA-OD2 3.27Å; G261-D264 PolarHBondContact O-N 2.77Å; D264-Q268 HydrophobicContact CB-CB 4.28Å; D264-Q268 HydrophobicContact CB-CG 4.35Å
265V86.3Confident88.9Confident105 Ų10549.7 Ų49.764%0.63626%0.255SS*.  trans-80150.1176.5-173.70000109.7H267 Q268 W269V265-H267 PolarHBondContact O-N 3.11Å; V265-Q268 WeakPolarHBondContact O-CA 3.44Å; V265-Q268 VanDerWaalsContact O-CB 3.3Å; V265-Q268 WeakPolarHBondContact O-CB 3.27Å; V265-Q268 PolarHBondContact O-N 3.19Å; V265-W269 PolarHBondContact O-N 3.09Å
266H87.7Confident89.2Confident52 Ų5246.1 Ų46.124%0.24123%0.23CC..Hα-helixtrans-43.1-42.7176.5-72.1100.5000115.2S224 L228 Q268 W269 T270S224-H266 PolarHBondContact O-NE2 2.87Å; L228-H266 HydrophobicContact CD1-CB 4.01Å; H266-Q268 VanDerWaalsContact C-N 3.29Å; H266-Q268 PolarHBondContact O-N 3.4Å; H266-W269 WeakPolarHBondContact O-CB 3.28Å; H266-W269 PolarHBondContact O-N 2.84Å; H266-W269 VanDerWaalsContact O-N 3.14Å; H266-T270 PolarHBondContact O-N 2.9Å; H266-T270 PolarHBondContact O-OG1 3.12Å
267H86.6Confident89.3Confident117 Ų11748.8 Ų48.854%0.54225%0.246SC..Hα-helixtrans-62-33.7178172.2-109.9000113.3V265 T270 K271V265-H267 PolarHBondContact O-N 3.11Å; H267-T270 PolarHBondContact O-N 3.45Å; H267-K271 WeakPolarHBondContact CE1-CE 3.18Å; H267-K271 PolarHBondContact CE1-NZ 3.49Å; H267-K271 PolarHBondContact O-N 3.27Å
268Q87.3Confident89.2Confident89 Ų8951.4 Ų51.442%0.41627%0.266SS..Hα-helixtrans-68.9-37.2175.6-171.663.412.500111.2D264 V265 H266 K271 L272D264-Q268 HydrophobicContact CB-CB 4.28Å; D264-Q268 HydrophobicContact CB-CG 4.35Å; V265-Q268 WeakPolarHBondContact O-CA 3.44Å; V265-Q268 VanDerWaalsContact O-CB 3.3Å; V265-Q268 WeakPolarHBondContact O-CB 3.27Å; V265-Q268 PolarHBondContact O-N 3.19Å; H266-Q268 VanDerWaalsContact C-N 3.29Å; H266-Q268 PolarHBondContact O-N 3.4Å; Q268-K271 PolarHBondContact O-N 2.87Å; Q268-L272 PolarHBondContact O-N 3.38Å
269W90.3Very high89.1Confident9 Ų954.1 Ų54.13%0.03428%0.277CS..Hα-helixtrans-66.5-40.2173.1-61.3-5.8000111.6L228 F246 L260 G261 V265 H266 K271 L272 F273L228-W269 HydrophobicContact CD2-CB 3.83Å; L228-W269 HydrophobicContact CD2-CE3 3.82Å; F246-W269 HydrophobicContact CE1-CH2 4.01Å; L260-W269 HydrophobicContact CB-CD2 4.49Å; L260-W269 HydrophobicContact CB-CZ2 4.25Å; L260-W269 HydrophobicContact CD1-CD2 4.36Å; L260-W269 HydrophobicContact CD1-CE3 4.21Å; L260-W269 HydrophobicContact CD1-CZ3 4.39Å; L260-W269 HydrophobicContact CD2-CB 4.2Å; L260-W269 HydrophobicContact CD2-CD2 4.06Å; L260-W269 HydrophobicContact CD2-CG 3.84Å; G261-W269 WeakPolarHBondContact O-CZ2 3.29Å; G261-W269 PolarHBondContact O-NE1 2.85Å; V265-W269 PolarHBondContact O-N 3.09Å; H266-W269 WeakPolarHBondContact O-CB 3.28Å; H266-W269 PolarHBondContact O-N 2.84Å; H266-W269 VanDerWaalsContact O-N 3.14Å; W269-K271 PolarHBondContact O-N 3.31Å; W269-L272 WeakPolarHBondContact O-CB 3.31Å; W269-L272 PolarHBondContact O-N 2.93Å; W269-L272 VanDerWaalsContact O-N 3.16Å; W269-F273 HydrophobicContact CB-CE2 4.28Å; W269-F273 HydrophobicContact CB-CZ 4.09Å; W269-F273 WeakPolarHBondContact O-CD1 3.42Å; W269-F273 WeakPolarHBondContact O-CD2 3.27Å; W269-F273 WeakPolarHBondContact O-CG 3.47Å; W269-F273 PolarHBondContact O-N 2.76Å
270T88.4Confident88.9Confident12 Ų1259.8 Ų59.87%0.07430%0.298CS..Hα-helixtrans-58.5-47.2174-550000111.8D235 H266 H267 L272 F273 Q274D235-T270 HydrophobicContact CB-CG2 4.28Å; D235-T270 WeakPolarHBondContact OD2-CG2 3.49Å; H266-T270 PolarHBondContact O-N 2.9Å; H266-T270 PolarHBondContact O-OG1 3.12Å; H267-T270 PolarHBondContact O-N 3.45Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 3.25Å; T270-F273 PolarHBondContact O-N 3.25Å; T270-F273 VanDerWaalsContact O-N 3.12Å; T270-Q274 PolarHBondContact O-N 2.98Å; T270-Q274 VanDerWaalsContact O-N 3.08Å
271K89.5Confident88.9Confident93 Ų9362.7 Ų62.740%0.40432%0.318SS..Hα-helixtrans-58.4-41.5174.9-77179.9169.2178.70112.3H267 Q268 W269 F273 Q274 Q275H267-K271 WeakPolarHBondContact CE1-CE 3.18Å; H267-K271 PolarHBondContact CE1-NZ 3.49Å; H267-K271 PolarHBondContact O-N 3.27Å; Q268-K271 PolarHBondContact O-N 2.87Å; W269-K271 PolarHBondContact O-N 3.31Å; K271-F273 VanDerWaalsContact C-N 3.33Å; K271-F273 PolarHBondContact O-N 3.18Å; K271-Q274 PolarHBondContact O-N 3.45Å; K271-Q275 WeakPolarHBondContact O-CG 3.38Å; K271-Q275 PolarHBondContact O-N 3.05Å; K271-Q275 VanDerWaalsContact O-N 3.1Å
272L90.8Very high88.9Confident7 Ų764.3 Ų64.34%0.03733%0.327CS..Hα-helixtrans-58.9-46.3175.3175.566.8000110.9V258 M259 L260 Q268 W269 T270 Q274 Q275 L276 Y279V258-L272 HydrophobicContact CG1-CD2 3.88Å; M259-L272 VanDerWaalsContact O-CD2 3.28Å; M259-L272 WeakPolarHBondContact O-CD2 3.37Å; L260-L272 HydrophobicContact CD2-CD2 3.97Å; Q268-L272 PolarHBondContact O-N 3.38Å; W269-L272 WeakPolarHBondContact O-CB 3.31Å; W269-L272 PolarHBondContact O-N 2.93Å; W269-L272 VanDerWaalsContact O-N 3.16Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 3.25Å; L272-Q274 VanDerWaalsContact C-N 3.31Å; L272-Q274 PolarHBondContact O-N 2.99Å; L272-Q275 CarbonylContact O-C 3.44Å; L272-Q275 WeakPolarHBondContact O-CA 3.33Å; L272-Q275 PolarHBondContact O-N 2.49Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 3.38Å; L272-Y279 HydrophobicContact CD1-CD2 4.25Å; L272-Y279 HydrophobicContact CD1-CE2 3.66Å
273F90.2Very high89.1Confident0 Ų065.1 Ų65.10%033%0.329CS..Hα-helixtrans-62.3-36.9-179.6-57.4-24.2000113L225 L228 D235 L236 N238 L239 V258 L260 W269 T270 K271 Q275 L276L225-F273 HydrophobicContact CD1-CZ 4.49Å; L228-F273 HydrophobicContact CD2-CE2 3.6Å; L228-F273 HydrophobicContact CD2-CZ 4.26Å; D235-F273 HydrophobicContact CB-CB 4.18Å; D235-F273 WeakPolarHBondContact O-CB 3.44Å; L236-F273 HydrophobicContact CD1-CE2 4.45Å; L236-F273 HydrophobicContact CG-CD2 4.49Å; L236-F273 HydrophobicContact CG-CE2 4.35Å; N238-F273 PolarHBondContact ND2-O 2.94Å; L239-F273 HydrophobicContact CD1-CD1 4.02Å; L239-F273 HydrophobicContact CD1-CD2 4.25Å; L239-F273 HydrophobicContact CD1-CE1 3.67Å; L239-F273 HydrophobicContact CD1-CE2 3.9Å; L239-F273 HydrophobicContact CD1-CG 4.32Å; L239-F273 HydrophobicContact CD1-CZ 3.62Å; L239-F273 HydrophobicContact CD2-CD1 3.71Å; L239-F273 HydrophobicContact CD2-CE1 3.6Å; L239-F273 HydrophobicContact CD2-CZ 4.39Å; L239-F273 HydrophobicContact CG-CD1 3.9Å; L239-F273 HydrophobicContact CG-CE1 3.95Å; L239-F273 HydrophobicContact CG-CG 4.33Å; L239-F273 HydrophobicContact CG-CZ 4.39Å; V258-F273 HydrophobicContact CG1-CE1 4.37Å; L260-F273 HydrophobicContact CD2-CE1 3.77Å; L260-F273 HydrophobicContact CD2-CZ 3.94Å; W269-F273 HydrophobicContact CB-CE2 4.28Å; W269-F273 HydrophobicContact CB-CZ 4.09Å; W269-F273 WeakPolarHBondContact O-CD1 3.42Å; W269-F273 WeakPolarHBondContact O-CD2 3.27Å; W269-F273 WeakPolarHBondContact O-CG 3.47Å; W269-F273 PolarHBondContact O-N 2.76Å; T270-F273 PolarHBondContact O-N 3.25Å; T270-F273 VanDerWaalsContact O-N 3.12Å; K271-F273 VanDerWaalsContact C-N 3.33Å; K271-F273 PolarHBondContact O-N 3.18Å; F273-Q275 VanDerWaalsContact C-N 3.29Å; F273-Q275 PolarHBondContact O-N 3.21Å; F273-L276 HydrophobicContact CB-CD1 4.35Å; F273-L276 HydrophobicContact CD1-CD1 4.06Å; F273-L276 WeakPolarHBondContact O-CB 3.29Å; F273-L276 PolarHBondContact O-N 2.96Å
274Q89.7Confident89.4Confident110 Ų11062.7 Ų62.751%0.51432%0.316SS..Hα-helixtrans-67.1-31.1173.2-68.7174.5-5.100112.5D235 T270 K271 L272 P277D235-Q274 WeakPolarHBondContact OD1-CG 3.36Å; D235-Q274 PolarHBondContact OD1-NE2 3.24Å; T270-Q274 PolarHBondContact O-N 2.98Å; T270-Q274 VanDerWaalsContact O-N 3.08Å; K271-Q274 PolarHBondContact O-N 3.45Å; L272-Q274 VanDerWaalsContact C-N 3.31Å; L272-Q274 PolarHBondContact O-N 2.99Å; Q274-P277 WeakPolarHBondContact O-CD 3.3Å
275Q90.4Very high89.8Confident102 Ų10264 Ų6448%0.47732%0.32SS..Hα-helixtrans-85.3-8.6178.4-70-175.4-30.100114.2K271 L272 F273 P277 S278 Y279K271-Q275 WeakPolarHBondContact O-CG 3.38Å; K271-Q275 PolarHBondContact O-N 3.05Å; K271-Q275 VanDerWaalsContact O-N 3.1Å; L272-Q275 CarbonylContact O-C 3.44Å; L272-Q275 WeakPolarHBondContact O-CA 3.33Å; L272-Q275 PolarHBondContact O-N 2.49Å; F273-Q275 VanDerWaalsContact C-N 3.29Å; F273-Q275 PolarHBondContact O-N 3.21Å; Q275-P277 VanDerWaalsContact C-CD 3.45Å; Q275-S278 WeakPolarHBondContact O-CB 3.27Å; Q275-S278 PolarHBondContact O-N 2.8Å; Q275-Y279 HydrophobicContact CB-CD2 4.12Å; Q275-Y279 HydrophobicContact CB-CE2 3.74Å; Q275-Y279 VanDerWaalsContact O-CD2 3.31Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.36Å; Q275-Y279 PolarHBondContact O-N 3.11Å
276L90.1Very high90.1Very high3 Ų359 Ų592%0.01629%0.29CS..Hα-helixtrans-53.1-40.1-177.9-74.1174.9000115N238 L239 M252 V258 L272 F273 S278 Y279 R280N238-L276 HydrophobicContact CB-CB 4.23Å; N238-L276 HydrophobicContact CB-CD1 3.89Å; L239-L276 HydrophobicContact CD2-CD1 3.73Å; L239-L276 HydrophobicContact CG-CD1 4.21Å; M252-L276 HydrophobicContact CE-CD2 3.82Å; V258-L276 HydrophobicContact CG1-CD2 4.16Å; V258-L276 HydrophobicContact CG2-CD1 4.4Å; V258-L276 HydrophobicContact CG2-CD2 3.66Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 3.38Å; F273-L276 HydrophobicContact CB-CD1 4.35Å; F273-L276 HydrophobicContact CD1-CD1 4.06Å; F273-L276 WeakPolarHBondContact O-CB 3.29Å; F273-L276 PolarHBondContact O-N 2.96Å; L276-S278 PolarHBondContact O-N 3.27Å; L276-Y279 PolarHBondContact O-N 3.46Å; L276-Y279 VanDerWaalsContact O-N 3.12Å; L276-R280 PolarHBondContact O-N 2.89Å
277P89.3Confident90.2Very high63 Ų6359.6 Ų59.641%0.40930%0.295SS..Hα-helixtrans-60-33.2175.6-25.535.9000113.4Q274 Q275 S281Q274-P277 WeakPolarHBondContact O-CD 3.3Å; Q275-P277 VanDerWaalsContact C-CD 3.45Å; P277-S281 PolarHBondContact O-N 2.93Å; P277-S281 PolarHBondContact O-OG 3.41Å; P277-S281 VanDerWaalsContact O-OG 3.05Å
278S90.6Very high90.6Very high84 Ų8462.4 Ų62.459%0.58730%0.301SS*.Hα-helixtrans-70.6-41.6175.3-59.90000111Q275 L276 R280 S281 L282Q275-S278 WeakPolarHBondContact O-CB 3.27Å; Q275-S278 PolarHBondContact O-N 2.8Å; L276-S278 PolarHBondContact O-N 3.27Å; S278-R280 VanDerWaalsContact C-N 3.33Å; S278-R280 PolarHBondContact O-N 3.43Å; S278-S281 WeakPolarHBondContact O-CB 3.49Å; S278-S281 PolarHBondContact O-N 2.95Å; S278-L282 PolarHBondContact O-N 3.03Å
279Y90.8Very high90.8Very high57 Ų5758.5 Ų58.522%0.22428%0.283CS..Hα-helixtrans-63.5-37174.9-72-68.6000112.7M252 L272 Q275 L276 S281 L282 Q283 I311M252-Y279 HydrophobicContact CB-CD1 4.19Å; M252-Y279 HydrophobicContact CB-CG 4.14Å; L272-Y279 HydrophobicContact CD1-CD2 4.25Å; L272-Y279 HydrophobicContact CD1-CE2 3.66Å; Q275-Y279 HydrophobicContact CB-CD2 4.12Å; Q275-Y279 HydrophobicContact CB-CE2 3.74Å; Q275-Y279 VanDerWaalsContact O-CD2 3.31Å; Q275-Y279 WeakPolarHBondContact O-CD2 3.36Å; Q275-Y279 PolarHBondContact O-N 3.11Å; L276-Y279 PolarHBondContact O-N 3.46Å; L276-Y279 VanDerWaalsContact O-N 3.12Å; Y279-S281 VanDerWaalsContact C-N 3.33Å; Y279-S281 PolarHBondContact O-N 2.93Å; Y279-L282 CarbonylContact O-C 3.57Å; Y279-L282 WeakPolarHBondContact O-CB 3.33Å; Y279-L282 PolarHBondContact O-N 3.37Å; Y279-Q283 WeakPolarHBondContact O-CB 3.5Å; Y279-Q283 PolarHBondContact O-N 2.95Å; Y279-I311 HydrophobicContact CD1-CG2 3.75Å; Y279-I311 HydrophobicContact CE1-CG2 4.29Å
280R88.6Confident90.9Very high119 Ų11959.4 Ų59.445%0.44929%0.287SS..Hα-helixtrans-60.4-42.3172.7178.9177.1-68.6-108.5-7.2112.1H242 L276 S278 L282 Q283 Q284H242-R280 PolarHBondContact CE1-NH2 2.91Å; H242-R280 PolarHBondContact NE2-NH2 3.34Å; L276-R280 PolarHBondContact O-N 2.89Å; S278-R280 VanDerWaalsContact C-N 3.33Å; S278-R280 PolarHBondContact O-N 3.43Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 3Å; R280-Q283 WeakPolarHBondContact O-CB 3.21Å; R280-Q283 PolarHBondContact O-N 3.19Å; R280-Q284 WeakPolarHBondContact O-CG 3.21Å; R280-Q284 PolarHBondContact O-N 3.25Å
281S91.4Very high91Very high60 Ų6064.7 Ų64.742%0.4231%0.311SS..Hα-helixtrans-62.9-41.7176.1-55.60000111P277 S278 Y279 Q284 Q285P277-S281 PolarHBondContact O-N 2.93Å; P277-S281 PolarHBondContact O-OG 3.41Å; P277-S281 VanDerWaalsContact O-OG 3.05Å; S278-S281 WeakPolarHBondContact O-CB 3.49Å; S278-S281 PolarHBondContact O-N 2.95Å; Y279-S281 VanDerWaalsContact C-N 3.33Å; Y279-S281 PolarHBondContact O-N 2.93Å; S281-Q284 PolarHBondContact O-N 3.11Å; S281-Q285 WeakPolarHBondContact O-CG 3.08Å; S281-Q285 PolarHBondContact O-N 2.95Å
282L92Very high91Very high34 Ų3467 Ų6718%0.17832%0.317CS..Hα-helixtrans-66.5-35.1174.9-177.358.8000112.5S278 Y279 R280 Q285 T286 I311 A312 Y315S278-L282 PolarHBondContact O-N 3.03Å; Y279-L282 CarbonylContact O-C 3.57Å; Y279-L282 WeakPolarHBondContact O-CB 3.33Å; Y279-L282 PolarHBondContact O-N 3.37Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 3Å; L282-Q285 PolarHBondContact O-N 3.23Å; L282-T286 WeakPolarHBondContact O-CB 3.29Å; L282-T286 PolarHBondContact O-N 3.34Å; L282-T286 PolarHBondContact O-OG1 3.15Å; L282-I311 HydrophobicContact CD2-CG2 3.86Å; L282-I311 HydrophobicContact CG-CG1 4.44Å; L282-I311 HydrophobicContact CG-CG2 4.46Å; L282-A312 HydrophobicContact CD2-CB 4.34Å; L282-Y315 HydrophobicContact CD1-CD1 4.09Å; L282-Y315 HydrophobicContact CD1-CD2 4.11Å; L282-Y315 HydrophobicContact CD1-CG 3.86Å
283Q90.9Very high91Very high42 Ų4266.7 Ų66.720%0.19632%0.315CS..Hα-helixtrans-62.5-48.4174-173.2-174.83.400111.3Y279 R280 Q285 T286 D287 I311Y279-Q283 WeakPolarHBondContact O-CB 3.5Å; Y279-Q283 PolarHBondContact O-N 2.95Å; R280-Q283 WeakPolarHBondContact O-CB 3.21Å; R280-Q283 PolarHBondContact O-N 3.19Å; Q283-Q285 VanDerWaalsContact C-N 3.31Å; Q283-Q285 PolarHBondContact O-N 2.87Å; Q283-T286 WeakPolarHBondContact O-CA 3.5Å; Q283-T286 VanDerWaalsContact O-CB 3.32Å; Q283-T286 WeakPolarHBondContact O-CB 3.36Å; Q283-T286 PolarHBondContact O-N 3.08Å; Q283-D287 PolarHBondContact O-N 3.39Å; Q283-I311 VanDerWaalsContact CA-CD1 3.47Å; Q283-I311 HydrophobicContact CB-CD1 3.58Å; Q283-I311 HydrophobicContact CG-CD1 4.04Å
284Q92.3Very high91Very high98 Ų9867.3 Ų67.346%0.45832%0.319SS..Hα-helixtrans-58.7-43175.3-70.2176.9-7.400112R280 S281 T286 D287 W288R280-Q284 WeakPolarHBondContact O-CG 3.21Å; R280-Q284 PolarHBondContact O-N 3.25Å; S281-Q284 PolarHBondContact O-N 3.11Å; Q284-T286 VanDerWaalsContact C-N 3.3Å; Q284-T286 PolarHBondContact O-N 3.03Å; Q284-D287 PolarHBondContact O-N 3.42Å; Q284-W288 PolarHBondContact O-N 2.76Å
285Q92.6Very high91Very high88 Ų8866.2 Ų66.241%0.41132%0.323SS..Hα-helixtrans-62.2-38.2174.6-71.1175.111.100112.4S281 L282 Q283 W288 L289 Y315S281-Q285 WeakPolarHBondContact O-CG 3.08Å; S281-Q285 PolarHBondContact O-N 2.95Å; L282-Q285 PolarHBondContact O-N 3.23Å; Q283-Q285 VanDerWaalsContact C-N 3.31Å; Q283-Q285 PolarHBondContact O-N 2.87Å; Q285-W288 HydrophobicContact CG-CE3 4.49Å; Q285-L289 WeakPolarHBondContact O-CB 3.45Å; Q285-L289 PolarHBondContact O-N 2.97Å; Q285-Y315 HydrophobicContact CB-CE2 4.17Å
286T92Very high90.8Very high1 Ų163.6 Ų63.61%0.00631%0.312CS..Hα-helixtrans-65.4-41.9176.7-58.20000111.1L282 Q283 Q284 L289 K290 Y315 L318L282-T286 WeakPolarHBondContact O-CB 3.29Å; L282-T286 PolarHBondContact O-N 3.34Å; L282-T286 PolarHBondContact O-OG1 3.15Å; Q283-T286 WeakPolarHBondContact O-CA 3.5Å; Q283-T286 VanDerWaalsContact O-CB 3.32Å; Q283-T286 WeakPolarHBondContact O-CB 3.36Å; Q283-T286 PolarHBondContact O-N 3.08Å; Q284-T286 VanDerWaalsContact C-N 3.3Å; Q284-T286 PolarHBondContact O-N 3.03Å; T286-L289 WeakPolarHBondContact O-CB 3.36Å; T286-L289 PolarHBondContact O-N 3.18Å; T286-K290 WeakPolarHBondContact O-CG 3.44Å; T286-K290 PolarHBondContact O-N 2.94Å; T286-Y315 WeakPolarHBondContact OG1-CD2 3.45Å; T286-L318 HydrophobicContact CG2-CD1 3.63Å
287D91.6Very high90.7Very high64 Ų6463.4 Ų63.434%0.34231%0.311SS..Hα-helixtrans-68.1-42178.8-66.2-26.3000111.4Q283 Q284 L289 K290 E291Q283-D287 PolarHBondContact O-N 3.39Å; Q284-D287 PolarHBondContact O-N 3.42Å; D287-L289 VanDerWaalsContact C-N 3.26Å; D287-L289 PolarHBondContact O-N 2.89Å; D287-K290 WeakPolarHBondContact O-CB 3.46Å; D287-K290 PolarHBondContact O-N 3.41Å; D287-K290 IonicContact OD1-NZ 3.61Å; D287-K290 PolarHBondContact OD1-NZ 3.01Å; D287-E291 PolarHBondContact O-N 3.43Å
288W93Very high90.5Very high176 Ų17660.4 Ų60.467%0.66729%0.292SS*.Hα-helixtrans-60.3-36.9171.1-65.8-22.9000112.8Q284 Q285 E291 R292Q284-W288 PolarHBondContact O-N 2.76Å; Q285-W288 HydrophobicContact CG-CE3 4.49Å; W288-E291 PolarHBondContact O-N 3.14Å; W288-R292 WeakPolarHBondContact O-CB 3.41Å; W288-R292 PolarHBondContact O-N 3.27Å
289L92.3Very high90.2Very high6 Ų657.1 Ų57.13%0.03127%0.271CS..Hα-helixtrans-68-41.2176.7-176.459.9000111.7Q285 T286 D287 R292 I293 Y315 L318 N319 H322Q285-L289 WeakPolarHBondContact O-CB 3.45Å; Q285-L289 PolarHBondContact O-N 2.97Å; T286-L289 WeakPolarHBondContact O-CB 3.36Å; T286-L289 PolarHBondContact O-N 3.18Å; D287-L289 VanDerWaalsContact C-N 3.26Å; D287-L289 PolarHBondContact O-N 2.89Å; L289-R292 PolarHBondContact O-N 3.48Å; L289-I293 HydrophobicContact CD1-CD1 4.42Å; L289-I293 HydrophobicContact CG-CD1 4.12Å; L289-I293 VanDerWaalsContact O-CG1 3.3Å; L289-I293 WeakPolarHBondContact O-CG1 3.39Å; L289-I293 PolarHBondContact O-N 2.98Å; L289-Y315 HydrophobicContact CD2-CD2 3.92Å; L289-Y315 HydrophobicContact CD2-CE2 3.7Å; L289-L318 HydrophobicContact CD2-CB 3.62Å; L289-L318 HydrophobicContact CG-CB 4.19Å; L289-N319 HydrophobicContact CD2-CB 3.97Å; L289-H322 HydrophobicContact CD1-CB 3.75Å
290K91.6Very high90.1Very high29 Ų2954.5 Ų54.513%0.12626%0.261CS..Hα-helixtrans-59.9-44.9173-72.5172.3-173.5159.70111.3T286 D287 R292 I293 S294 V302 H314 L318T286-K290 WeakPolarHBondContact O-CG 3.44Å; T286-K290 PolarHBondContact O-N 2.94Å; D287-K290 WeakPolarHBondContact O-CB 3.46Å; D287-K290 PolarHBondContact O-N 3.41Å; D287-K290 IonicContact OD1-NZ 3.61Å; D287-K290 PolarHBondContact OD1-NZ 3.01Å; K290-R292 VanDerWaalsContact C-N 3.32Å; K290-R292 PolarHBondContact O-N 3.4Å; K290-I293 PolarHBondContact O-N 3.49Å; K290-S294 WeakPolarHBondContact O-CB 3.47Å; K290-S294 PolarHBondContact O-N 3.28Å; K290-V302 HydrophobicContact CB-CB 4.28Å; K290-V302 HydrophobicContact CG-CB 4.29Å; K290-V302 HydrophobicContact CG-CG1 4.36Å; K290-H314 VanDerWaalsContact CE-NE2 3.34Å; K290-H314 WeakPolarHBondContact CE-NE2 3.31Å; K290-L318 HydrophobicContact CG-CD1 3.84Å; K290-L318 HydrophobicContact CG-CD2 4.3Å
291E90.8Very high90Very high123 Ų12354.6 Ų54.658%0.57527%0.267SS*.Hα-helixtrans-62.5-39.2175.9-73.5-57.715000112.3D287 W288 S294 C295D287-E291 PolarHBondContact O-N 3.43Å; W288-E291 PolarHBondContact O-N 3.14Å; E291-S294 WeakPolarHBondContact O-CB 3.48Å; E291-S294 PolarHBondContact O-N 3.3Å; E291-C295 PolarHBondContact O-N 2.97Å; E291-C295 PolarHBondContact O-SG 2.92Å
292R90.3Very high89.8Confident141 Ų14152.5 Ų52.553%0.53225%0.251SS..Hα-helixtrans-67.5-40.1177-163.3157.868.4178.2-1.7112W288 L289 K290 C295 L296 H322W288-R292 WeakPolarHBondContact O-CB 3.41Å; W288-R292 PolarHBondContact O-N 3.27Å; L289-R292 PolarHBondContact O-N 3.48Å; K290-R292 VanDerWaalsContact C-N 3.32Å; K290-R292 PolarHBondContact O-N 3.4Å; R292-C295 PolarHBondContact O-N 3.27Å; R292-L296 WeakPolarHBondContact O-CG 3.47Å; R292-L296 PolarHBondContact O-N 2.84Å; R292-H322 PolarHBondContact NE-CE1 3.17Å; R292-H322 PolarHBondContact NE-NE2 3.35Å; R292-H322 PolarHBondContact NH2-CE1 2.96Å; R292-H322 VanDerWaalsContact NH2-CE1 3.28Å
293I90.3Very high89.4Confident0 Ų053.4 Ų53.40%026%0.256CS..Hα-helixtrans-64.6-43.8173-67.7162.5000110.5L289 K290 C295 L296 L297 V302 L318 F321 H322 L325L289-I293 HydrophobicContact CD1-CD1 4.42Å; L289-I293 HydrophobicContact CG-CD1 4.12Å; L289-I293 VanDerWaalsContact O-CG1 3.3Å; L289-I293 WeakPolarHBondContact O-CG1 3.39Å; L289-I293 PolarHBondContact O-N 2.98Å; K290-I293 PolarHBondContact O-N 3.49Å; I293-C295 VanDerWaalsContact C-N 3.31Å; I293-C295 PolarHBondContact O-N 3.42Å; I293-L296 WeakPolarHBondContact O-CB 3.23Å; I293-L296 PolarHBondContact O-N 3.34Å; I293-L296 VanDerWaalsContact O-N 3.07Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 HydrophobicContact CG2-CG 4.27Å; I293-L297 WeakPolarHBondContact O-CG 3.44Å; I293-L297 PolarHBondContact O-N 3.1Å; I293-V302 HydrophobicContact CB-CG2 4.21Å; I293-V302 HydrophobicContact CG2-CG2 3.8Å; I293-L318 HydrophobicContact CD1-CB 4.19Å; I293-L318 HydrophobicContact CD1-CD2 3.64Å; I293-F321 HydrophobicContact CD1-CD1 4.24Å; I293-F321 HydrophobicContact CG2-CD1 4.02Å; I293-F321 HydrophobicContact CG2-CE1 3.73Å; I293-H322 HydrophobicContact CD1-CB 4.08Å; I293-H322 HydrophobicContact CG1-CB 3.89Å; I293-L325 HydrophobicContact CG2-CD1 4.11Å
294S91.2Very high88.8Confident13 Ų1353.4 Ų53.49%0.09126%0.255CS..Hα-helixtrans-54.1-47175.2171.90000111.4K290 E291 L296 L297 G298 G299 S300K290-S294 WeakPolarHBondContact O-CB 3.47Å; K290-S294 PolarHBondContact O-N 3.28Å; E291-S294 WeakPolarHBondContact O-CB 3.48Å; E291-S294 PolarHBondContact O-N 3.3Å; S294-L296 VanDerWaalsContact C-N 3.34Å; S294-L296 PolarHBondContact O-N 3.28Å; S294-L297 CarbonylContact O-C 3.58Å; S294-L297 PolarHBondContact O-N 3.22Å; S294-L297 VanDerWaalsContact O-N 3.12Å; S294-G298 PolarHBondContact O-N 3.49Å; S294-G299 WeakPolarHBondContact O-CA 3.38Å; S294-G299 PolarHBondContact O-N 3.28Å; S294-S300 WeakPolarHBondContact CA-O 3.43Å; S294-S300 WeakPolarHBondContact CB-O 3.39Å; S294-S300 PolarHBondContact OG-O 3.15Å
295C88.4Confident87.6Confident87 Ų8753.6 Ų53.659%0.58826%0.259SS*.Hα-helixtrans-58.6-42175.5-70.30000113E291 R292 I293 L297 G298E291-C295 PolarHBondContact O-N 2.97Å; E291-C295 PolarHBondContact O-SG 2.92Å; R292-C295 PolarHBondContact O-N 3.27Å; I293-C295 VanDerWaalsContact C-N 3.31Å; I293-C295 PolarHBondContact O-N 3.42Å; C295-L297 VanDerWaalsContact C-N 3.27Å; C295-L297 PolarHBondContact O-N 3.03Å; C295-G298 PolarHBondContact O-N 3.46Å
296L87.8Confident86.4Confident47 Ų4751.7 Ų51.725%0.24626%0.263CS..Hα-helixtrans-69-26.9178.3-66.6172.2000112.6R292 I293 S294 L325 M326R292-L296 WeakPolarHBondContact O-CG 3.47Å; R292-L296 PolarHBondContact O-N 2.84Å; I293-L296 WeakPolarHBondContact O-CB 3.23Å; I293-L296 PolarHBondContact O-N 3.34Å; I293-L296 VanDerWaalsContact O-N 3.07Å; S294-L296 VanDerWaalsContact C-N 3.34Å; S294-L296 PolarHBondContact O-N 3.28Å; L296-L325 HydrophobicContact CB-CD1 4.39Å; L296-L325 HydrophobicContact CD1-CB 4.09Å; L296-L325 HydrophobicContact CD1-CD1 4.36Å; L296-M326 HydrophobicContact CD1-CG 4.41Å; L296-M326 HydrophobicContact CD1-SD 4Å; L296-M326 HydrophobicContact CD2-SD 4.26Å
297L87.3Confident85.3Confident0 Ų055.8 Ų55.80%029%0.29CS..THydrogen-bonded Turntrans-99.623.7-178.8-61.8-178000112.7I293 S294 C295 G299 S300 F321 L325 L330 L337 M342 L370 L374I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 HydrophobicContact CG2-CG 4.27Å; I293-L297 WeakPolarHBondContact O-CG 3.44Å; I293-L297 PolarHBondContact O-N 3.1Å; S294-L297 CarbonylContact O-C 3.58Å; S294-L297 PolarHBondContact O-N 3.22Å; S294-L297 VanDerWaalsContact O-N 3.12Å; C295-L297 VanDerWaalsContact C-N 3.27Å; C295-L297 PolarHBondContact O-N 3.03Å; L297-G299 PolarHBondContact O-N 3.5Å; L297-S300 WeakPolarHBondContact CB-OG 3.37Å; L297-F321 HydrophobicContact CD1-CE1 3.94Å; L297-F321 HydrophobicContact CD1-CZ 4.17Å; L297-L325 HydrophobicContact CD1-CD1 4.31Å; L297-L325 HydrophobicContact CD2-CD1 4.06Å; L297-L325 HydrophobicContact CD2-CD2 4.13Å; L297-L325 HydrophobicContact CG-CD1 4.15Å; L297-L330 HydrophobicContact CD2-CD1 3.35Å; L297-L337 VanDerWaalsContact O-CD1 3.29Å; L297-L337 WeakPolarHBondContact O-CD1 3.33Å; L297-M342 HydrophobicContact CB-SD 4.46Å; L297-M342 HydrophobicContact CD1-CE 3.44Å; L297-M342 VanDerWaalsContact CD1-CE 3.44Å; L297-M342 HydrophobicContact CD1-SD 3.19Å; L297-M342 WeakPolarHBondContact CD1-SD 2.78Å; L297-M342 HydrophobicContact CG-SD 4.42Å; L297-L370 HydrophobicContact CD2-CD2 4.44Å; L297-L374 HydrophobicContact CD2-CD1 4.3Å
298G84.3Confident84.5Confident0 Ų054.7 Ų54.70%029%0.285CS..THydrogen-bonded Turntrans73.12717300000114.6S294 C295 H333 P334 R335 S336 L337 H338S294-G298 PolarHBondContact O-N 3.49Å; C295-G298 PolarHBondContact O-N 3.46Å; G298-H333 WeakPolarHBondContact CA-O 3.43Å; G298-P334 VanDerWaalsContact C-C 3.5Å; G298-P334 CarbonylContact C-O 3.52Å; G298-P334 CarbonylContact O-C 3.55Å; G298-P334 VanDerWaalsContact O-O 3.11Å; G298-R335 CarbonylContact O-C 3.54Å; G298-R335 VanDerWaalsContact O-C 3.32Å; G298-R335 WeakPolarHBondContact O-CA 3.4Å; G298-S336 PolarHBondContact O-N 3.41Å; G298-L337 CarbonylContact O-C 3.57Å; G298-L337 PolarHBondContact O-N 3.03Å; G298-H338 PolarHBondContact O-N 2.96Å
299G85.3Confident83.9Confident15 Ų1548.8 Ų48.816%0.15527%0.265CS..SBendtrans87.918.4172.400000114.8S294 L297 P334S294-G299 WeakPolarHBondContact O-CA 3.38Å; S294-G299 PolarHBondContact O-N 3.28Å; L297-G299 PolarHBondContact O-N 3.5Å; G299-P334 PolarHBondContact N-O 3Å
300S87.6Confident83.7Confident2 Ų249.5 Ų49.51%0.01427%0.27CS..  trans-75.9135.3176.659.30000111.9S294 L297 V302 L340 M342S294-S300 WeakPolarHBondContact CA-O 3.43Å; S294-S300 WeakPolarHBondContact CB-O 3.39Å; S294-S300 PolarHBondContact OG-O 3.15Å; L297-S300 WeakPolarHBondContact CB-OG 3.37Å; S300-V302 PolarHBondContact O-N 3.23Å; S300-L340 CarbonylContact C-O 3.32Å; S300-L340 WeakPolarHBondContact CA-O 3.26Å; S300-M342 PolarHBondContact OG-SD 2.86Å; S300-M342 VanDerWaalsContact OG-SD 3.4Å
301Q88.2Confident83.7Confident121 Ų12148.1 Ų48.157%0.56526%0.264SS*.EExtended strand (participates in β ladder)trans-75.4121.3-179.5-169.8177.227.400111.3I303 L340 T341 M342Q301-I303 HydrophobicContact CG-CG1 4.12Å; Q301-I303 PolarHBondContact O-N 3.09Å; Q301-L340 PolarHBondContact N-O 2.74Å; Q301-T341 HydrophobicContact CB-CG2 4.34Å; Q301-T341 CarbonylContact O-C 3.51Å; Q301-T341 WeakPolarHBondContact O-CA 3.49Å; Q301-M342 WeakPolarHBondContact O-CG 3.41Å; Q301-M342 PolarHBondContact O-N 3.17Å
302V86.6Confident83.6Confident15 Ų1544.5 Ų44.59%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-81.3108.2175.2-171.90000109.5K290 I293 S300 L318 M342 L344K290-V302 HydrophobicContact CB-CB 4.28Å; K290-V302 HydrophobicContact CG-CB 4.29Å; K290-V302 HydrophobicContact CG-CG1 4.36Å; I293-V302 HydrophobicContact CB-CG2 4.21Å; I293-V302 HydrophobicContact CG2-CG2 3.8Å; S300-V302 PolarHBondContact O-N 3.23Å; V302-L318 HydrophobicContact CG1-CD2 4.05Å; V302-M342 HydrophobicContact CB-CG 4.37Å; V302-M342 HydrophobicContact CG1-CE 4.45Å; V302-M342 HydrophobicContact CG2-CE 4.13Å; V302-M342 HydrophobicContact CG2-CG 4.06Å; V302-M342 HydrophobicContact CG2-SD 3.88Å; V302-L344 HydrophobicContact CG1-CD1 4.48Å
303I83Confident83.5Confident54 Ų5442.6 Ų42.628%0.27725%0.252SS..EExtended strand (participates in β ladder)trans-105.8144.6177.8-52.6-173.8000108.9Q301 L305 T341 M342 V343Q301-I303 HydrophobicContact CG-CG1 4.12Å; Q301-I303 PolarHBondContact O-N 3.09Å; I303-L305 HydrophobicContact CG2-CD2 3.98Å; I303-L305 HydrophobicContact CG2-CG 3.92Å; I303-T341 HydrophobicContact CD1-CG2 3.42Å; I303-T341 VanDerWaalsContact CD1-CG2 3.42Å; I303-T341 HydrophobicContact CG1-CG2 4.3Å; I303-M342 PolarHBondContact N-O 2.82Å; I303-V343 WeakPolarHBondContact O-CA 3.45Å
304H78.6Confident83.4Confident41 Ų4143 Ų4319%0.1925%0.254CS..  trans-97.6106.6167.6-175.966.2000109H314H304-H314 AromaticContact CE1-ND1 3.94Å; H304-H314 AromaticContact CG-CE1 3.81Å; H304-H314 AromaticContact ND1-CE1 3.53Å; H304-H314 AromaticContact ND1-ND1 3.54Å
305L68.2Low83.4Confident102 Ų10245.2 Ų45.253%0.53426%0.261SS..  trans-113.199.3170.2-63.6-179.7000106.8I303 V343I303-L305 HydrophobicContact CG2-CD2 3.98Å; I303-L305 HydrophobicContact CG2-CG 3.92Å; L305-V343 HydrophobicContact CB-CG1 4.1Å; L305-V343 HydrophobicContact CB-CG2 3.85Å; L305-V343 HydrophobicContact CD1-CG2 3.69Å; L305-V343 HydrophobicContact CG-CG2 3.77Å
306G66.1Low83.5Confident48 Ų4844.5 Ų44.550%0.49526%0.257SS..SBendtrans-173.3176.9-173.100000113.2
307P69.6Low83.6Confident88 Ų8843.4 Ų43.457%0.57125%0.252SS*.SBendtrans-59.3152.7173.327.6-34.1000110.2Q309P307-Q309 HydrophobicContact CG-CG 4.5Å; P307-Q309 PolarHBondContact O-N 3.25Å
308V74.3Confident83.8Confident40 Ų4043.4 Ų43.424%0.24225%0.252CS..  trans-62.7103.4179.6-170.90000109.3Q210 N253 M259Q210-V308 HydrophobicContact CG-CB 4.43Å; Q210-V308 HydrophobicContact CG-CG2 4.01Å; N253-V308 HydrophobicContact CB-CG1 3.62Å; M259-V308 HydrophobicContact CE-CB 4.28Å; M259-V308 HydrophobicContact CE-CG1 3.48Å; M259-V308 VanDerWaalsContact CE-CG1 3.48Å; M259-V308 HydrophobicContact CG-CG1 4Å; M259-V308 HydrophobicContact SD-CG1 3.51Å; M259-V308 VanDerWaalsContact SD-CG1 3.51Å
309Q80.8Confident84.1Confident52 Ų5245.2 Ų45.224%0.24326%0.262CS..  trans-108.6151.6179-74.1174.2-7.900111.3N253 A254 P307N253-Q309 VanDerWaalsContact CA-O 3.31Å; N253-Q309 WeakPolarHBondContact CA-O 3.48Å; A254-Q309 PolarHBondContact N-O 3.02Å; P307-Q309 HydrophobicContact CG-CG 4.5Å; P307-Q309 PolarHBondContact O-N 3.25Å
310P88.3Confident84.4Confident21 Ų2146.9 Ų46.914%0.13627%0.274CS..BIsolated β-bridgetrans-63.2144.1174.6-18.833.5000111.3M252 A312 E313 H314M252-P310 WeakPolarHBondContact O-CA 3.32Å; P310-A312 PolarHBondContact O-N 3.31Å; P310-E313 HydrophobicContact CG-CG 4.44Å; P310-E313 PolarHBondContact O-N 3.37Å; P310-H314 PolarHBondContact O-N 3.06Å; P310-H314 VanDerWaalsContact O-N 3.11Å
311I90.2Very high84.4Confident1 Ų146.9 Ų46.91%0.00527%0.274CS..Hα-helixtrans-60.3-31.4-179.6-166.5166.6000113.1M252 Y279 L282 Q283 H314 Y315M252-I311 HydrophobicContact CB-CG2 4.22Å; M252-I311 WeakPolarHBondContact O-CB 3.19Å; M252-I311 PolarHBondContact O-N 3.38Å; M252-I311 HydrophobicContact SD-CD1 4.4Å; Y279-I311 HydrophobicContact CD1-CG2 3.75Å; Y279-I311 HydrophobicContact CE1-CG2 4.29Å; L282-I311 HydrophobicContact CD2-CG2 3.86Å; L282-I311 HydrophobicContact CG-CG1 4.44Å; L282-I311 HydrophobicContact CG-CG2 4.46Å; Q283-I311 VanDerWaalsContact CA-CD1 3.47Å; Q283-I311 HydrophobicContact CB-CD1 3.58Å; Q283-I311 HydrophobicContact CG-CD1 4.04Å; I311-H314 PolarHBondContact O-N 3.19Å; I311-Y315 VanDerWaalsContact O-CB 3.28Å; I311-Y315 WeakPolarHBondContact O-CB 3.47Å; I311-Y315 PolarHBondContact O-N 2.99Å
312A89.4Confident84.6Confident46 Ų4641.7 Ų41.738%0.3825%0.25SC..Hα-helixtrans-66.3-40.4178.300000112.6L282 P310 S316L282-A312 HydrophobicContact CD2-CB 4.34Å; P310-A312 PolarHBondContact O-N 3.31Å; A312-S316 WeakPolarHBondContact O-CB 3.49Å; A312-S316 PolarHBondContact O-N 3.39Å; A312-S316 PolarHBondContact O-OG 3.48Å
313E88.4Confident84.7Confident102 Ų10247.3 Ų47.348%0.47727%0.273SS..Hα-helixtrans-69.7-42.5176-67.4178-164.900110.9P310 S316 T317P310-E313 HydrophobicContact CG-CG 4.44Å; P310-E313 PolarHBondContact O-N 3.37Å; E313-S316 PolarHBondContact O-N 3.26Å; E313-T317 WeakPolarHBondContact O-CB 3.34Å; E313-T317 PolarHBondContact O-N 3.06Å; E313-T317 PolarHBondContact O-OG1 2.97Å
314H88.9Confident84.9Confident7 Ų746.5 Ų46.53%0.03227%0.272CS..Hα-helixtrans-61.8-44.8176-175.463.9000112A254 K290 H304 P310 I311 T317 L318A254-H314 HydrophobicContact CB-CB 3.95Å; A254-H314 VanDerWaalsContact CB-CD2 3.47Å; A254-H314 WeakPolarHBondContact CB-CD2 3.48Å; K290-H314 VanDerWaalsContact CE-NE2 3.34Å; K290-H314 WeakPolarHBondContact CE-NE2 3.31Å; H304-H314 AromaticContact CE1-ND1 3.94Å; H304-H314 AromaticContact CG-CE1 3.81Å; H304-H314 AromaticContact ND1-CE1 3.53Å; H304-H314 AromaticContact ND1-ND1 3.54Å; P310-H314 PolarHBondContact O-N 3.06Å; P310-H314 VanDerWaalsContact O-N 3.11Å; I311-H314 PolarHBondContact O-N 3.19Å; H314-T317 WeakPolarHBondContact O-CB 3.45Å; H314-T317 PolarHBondContact O-N 2.84Å; H314-L318 VanDerWaalsContact NE2-CD1 3.29Å; H314-L318 WeakPolarHBondContact NE2-CD1 3.3Å; H314-L318 WeakPolarHBondContact O-CB 3.48Å; H314-L318 WeakPolarHBondContact O-CG 3.37Å; H314-L318 PolarHBondContact O-N 3.16Å
315Y91.1Very high85.3Confident61 Ų6144.7 Ų44.724%0.23926%0.264CS..Hα-helixtrans-61.8-44.4175.4177.6-97.8000111.5L282 Q285 T286 L289 I311 T317 L318 N319L282-Y315 HydrophobicContact CD1-CD1 4.09Å; L282-Y315 HydrophobicContact CD1-CD2 4.11Å; L282-Y315 HydrophobicContact CD1-CG 3.86Å; Q285-Y315 HydrophobicContact CB-CE2 4.17Å; T286-Y315 WeakPolarHBondContact OG1-CD2 3.45Å; L289-Y315 HydrophobicContact CD2-CD2 3.92Å; L289-Y315 HydrophobicContact CD2-CE2 3.7Å; I311-Y315 VanDerWaalsContact O-CB 3.28Å; I311-Y315 WeakPolarHBondContact O-CB 3.47Å; I311-Y315 PolarHBondContact O-N 2.99Å; Y315-T317 VanDerWaalsContact C-N 3.3Å; Y315-T317 PolarHBondContact O-N 3.42Å; Y315-L318 PolarHBondContact O-N 3.14Å; Y315-N319 HydrophobicContact CE1-CB 4.48Å; Y315-N319 WeakPolarHBondContact O-CB 3.46Å; Y315-N319 PolarHBondContact O-N 3.45Å
316S90.6Very high86.1Confident72 Ų7243.8 Ų43.850%0.50326%0.258SS..Hα-helixtrans-61.3-41.9178.7-61.10000111.5A312 E313 N319 A320A312-S316 WeakPolarHBondContact O-CB 3.49Å; A312-S316 PolarHBondContact O-N 3.39Å; A312-S316 PolarHBondContact O-OG 3.48Å; E313-S316 PolarHBondContact O-N 3.26Å; S316-N319 PolarHBondContact O-N 3.03Å; S316-A320 WeakPolarHBondContact O-CB 3.37Å; S316-A320 PolarHBondContact O-N 3.36Å
317T89.4Confident87Confident23 Ų2345.8 Ų45.814%0.14126%0.264CS..Hα-helixtrans-61.2-51.9174.6-64.30000111.8E313 H314 Y315 N319 A320 F321 N346 I363E313-T317 WeakPolarHBondContact O-CB 3.34Å; E313-T317 PolarHBondContact O-N 3.06Å; E313-T317 PolarHBondContact O-OG1 2.97Å; H314-T317 WeakPolarHBondContact O-CB 3.45Å; H314-T317 PolarHBondContact O-N 2.84Å; Y315-T317 VanDerWaalsContact C-N 3.3Å; Y315-T317 PolarHBondContact O-N 3.42Å; T317-N319 VanDerWaalsContact C-N 3.27Å; T317-N319 PolarHBondContact O-N 3.39Å; T317-A320 PolarHBondContact O-N 3.46Å; T317-F321 PolarHBondContact O-N 3.48Å; T317-N346 WeakPolarHBondContact CG2-OD1 3.38Å; T317-I363 HydrophobicContact CG2-CD1 3.63Å; T317-I363 HydrophobicContact CG2-CG1 3.73Å
318L90.4Very high87.5Confident0 Ų049.5 Ų49.50%027%0.267CS..Hα-helixtrans-59.2-39.8176.6-77.9168.2000111.8T286 L289 K290 I293 V302 H314 Y315 F321 H322 L344T286-L318 HydrophobicContact CG2-CD1 3.63Å; L289-L318 HydrophobicContact CD2-CB 3.62Å; L289-L318 HydrophobicContact CG-CB 4.19Å; K290-L318 HydrophobicContact CG-CD1 3.84Å; K290-L318 HydrophobicContact CG-CD2 4.3Å; I293-L318 HydrophobicContact CD1-CB 4.19Å; I293-L318 HydrophobicContact CD1-CD2 3.64Å; V302-L318 HydrophobicContact CG1-CD2 4.05Å; H314-L318 VanDerWaalsContact NE2-CD1 3.29Å; H314-L318 WeakPolarHBondContact NE2-CD1 3.3Å; H314-L318 WeakPolarHBondContact O-CB 3.48Å; H314-L318 WeakPolarHBondContact O-CG 3.37Å; H314-L318 PolarHBondContact O-N 3.16Å; Y315-L318 PolarHBondContact O-N 3.14Å; L318-F321 PolarHBondContact O-N 3.12Å; L318-H322 VanDerWaalsContact O-CB 3.29Å; L318-H322 WeakPolarHBondContact O-CB 3.48Å; L318-H322 PolarHBondContact O-N 3.1Å; L318-L344 HydrophobicContact CD2-CD1 3.35Å; L318-L344 HydrophobicContact CG-CD1 4.26Å
319N91.8Very high87.6Confident39 Ų3956 Ų5621%0.20929%0.287CS..Hα-helixtrans-70.9-39.1-177.8-172.233000111.6L289 Y315 S316 T317 H322 K323L289-N319 HydrophobicContact CD2-CB 3.97Å; Y315-N319 HydrophobicContact CE1-CB 4.48Å; Y315-N319 WeakPolarHBondContact O-CB 3.46Å; Y315-N319 PolarHBondContact O-N 3.45Å; S316-N319 PolarHBondContact O-N 3.03Å; T317-N319 VanDerWaalsContact C-N 3.27Å; T317-N319 PolarHBondContact O-N 3.39Å; N319-H322 PolarHBondContact O-N 3.48Å; N319-K323 WeakPolarHBondContact O-CB 3.26Å; N319-K323 VanDerWaalsContact O-CG 3.28Å; N319-K323 WeakPolarHBondContact O-CG 3.34Å; N319-K323 PolarHBondContact O-N 3.25Å
320A90.1Very high87.6Confident50 Ų5054.7 Ų54.741%0.41328%0.281SS..Hα-helixtrans-61-46.8172.500000111.1S316 T317 K323 S324 I363S316-A320 WeakPolarHBondContact O-CB 3.37Å; S316-A320 PolarHBondContact O-N 3.36Å; T317-A320 PolarHBondContact O-N 3.46Å; A320-K323 PolarHBondContact O-N 3.06Å; A320-S324 PolarHBondContact O-N 3.08Å; A320-I363 HydrophobicContact CB-CG2 4.45Å
321F89.3Confident87.2Confident2 Ų260.9 Ų60.91%0.00931%0.308CS..Hα-helixtrans-61.3-46.5176.1-177.1-116.8000112.1I293 L297 T317 L318 K323 S324 L325 M342 L344 I361 I363 L370I293-F321 HydrophobicContact CD1-CD1 4.24Å; I293-F321 HydrophobicContact CG2-CD1 4.02Å; I293-F321 HydrophobicContact CG2-CE1 3.73Å; L297-F321 HydrophobicContact CD1-CE1 3.94Å; L297-F321 HydrophobicContact CD1-CZ 4.17Å; T317-F321 PolarHBondContact O-N 3.48Å; L318-F321 PolarHBondContact O-N 3.12Å; F321-K323 VanDerWaalsContact C-N 3.34Å; F321-K323 PolarHBondContact O-N 3.06Å; F321-S324 VanDerWaalsContact O-CB 3.32Å; F321-S324 WeakPolarHBondContact O-CB 3.29Å; F321-S324 PolarHBondContact O-N 3.01Å; F321-S324 VanDerWaalsContact O-N 3.12Å; F321-L325 HydrophobicContact CD1-CD1 3.98Å; F321-L325 HydrophobicContact CD1-CG 4.5Å; F321-L325 HydrophobicContact CE1-CD1 3.49Å; F321-L325 VanDerWaalsContact CE1-CD1 3.49Å; F321-L325 HydrophobicContact CE1-CG 4.15Å; F321-L325 HydrophobicContact CE2-CD2 4.33Å; F321-L325 HydrophobicContact CE2-CG 4.32Å; F321-L325 HydrophobicContact CZ-CD1 3.79Å; F321-L325 HydrophobicContact CZ-CD2 4.07Å; F321-L325 HydrophobicContact CZ-CG 4.04Å; F321-L325 WeakPolarHBondContact O-CG 3.43Å; F321-L325 PolarHBondContact O-N 3.37Å; F321-M342 HydrophobicContact CE1-CE 4.1Å; F321-L344 HydrophobicContact CB-CD1 4.38Å; F321-L344 HydrophobicContact CD1-CD1 3.9Å; F321-L344 HydrophobicContact CD1-CD2 3.75Å; F321-L344 HydrophobicContact CD1-CG 4.5Å; F321-L344 HydrophobicContact CD2-CD2 4.32Å; F321-L344 HydrophobicContact CE1-CD2 3.68Å; F321-L344 HydrophobicContact CE2-CD2 4.28Å; F321-L344 HydrophobicContact CG-CD1 4.28Å; F321-L344 HydrophobicContact CG-CD2 4.07Å; F321-L344 HydrophobicContact CZ-CD2 3.97Å; F321-I361 HydrophobicContact CE2-CG2 3.89Å; F321-I361 HydrophobicContact CZ-CG2 3.83Å; F321-I363 HydrophobicContact CB-CG2 4.21Å; F321-L370 HydrophobicContact CE2-CD2 4.41Å; F321-L370 HydrophobicContact CZ-CD2 4.21Å
322H91Very high86.8Confident12 Ų1261.9 Ų61.96%0.05631%0.313CS..Hα-helixtrans-58.8-42.9175.8175.4-92.4000112.3L289 R292 I293 L318 N319 S324 L325 M326L289-H322 HydrophobicContact CD1-CB 3.75Å; R292-H322 PolarHBondContact NE-CE1 3.17Å; R292-H322 PolarHBondContact NE-NE2 3.35Å; R292-H322 PolarHBondContact NH2-CE1 2.96Å; R292-H322 VanDerWaalsContact NH2-CE1 3.28Å; I293-H322 HydrophobicContact CD1-CB 4.08Å; I293-H322 HydrophobicContact CG1-CB 3.89Å; L318-H322 VanDerWaalsContact O-CB 3.29Å; L318-H322 WeakPolarHBondContact O-CB 3.48Å; L318-H322 PolarHBondContact O-N 3.1Å; N319-H322 PolarHBondContact O-N 3.48Å; H322-S324 VanDerWaalsContact C-N 3.32Å; H322-S324 PolarHBondContact O-N 3.18Å; H322-L325 PolarHBondContact O-N 3.03Å; H322-M326 WeakPolarHBondContact O-CB 3.34Å; H322-M326 VanDerWaalsContact O-CG 3.3Å; H322-M326 WeakPolarHBondContact O-CG 3.4Å; H322-M326 PolarHBondContact O-N 2.87Å
323K89.8Confident86.4Confident132 Ų13265.9 Ų65.957%0.57432%0.324SS*.Hα-helixtrans-61.9-40.2174.9-75.1174.5-179-179.30111.8N319 A320 F321 M326 S327N319-K323 WeakPolarHBondContact O-CB 3.26Å; N319-K323 VanDerWaalsContact O-CG 3.28Å; N319-K323 WeakPolarHBondContact O-CG 3.34Å; N319-K323 PolarHBondContact O-N 3.25Å; A320-K323 PolarHBondContact O-N 3.06Å; F321-K323 VanDerWaalsContact C-N 3.34Å; F321-K323 PolarHBondContact O-N 3.06Å; K323-M326 PolarHBondContact O-N 2.94Å; K323-S327 PolarHBondContact O-N 3.42Å
324S87.5Confident85.8Confident37 Ų3765 Ų6526%0.25933%0.327SS..Hα-helixtrans-59.5-49.1174.1-174.90000111.3A320 F321 H322 M326 S327 R328A320-S324 PolarHBondContact O-N 3.08Å; F321-S324 VanDerWaalsContact O-CB 3.32Å; F321-S324 WeakPolarHBondContact O-CB 3.29Å; F321-S324 PolarHBondContact O-N 3.01Å; F321-S324 VanDerWaalsContact O-N 3.12Å; H322-S324 VanDerWaalsContact C-N 3.32Å; H322-S324 PolarHBondContact O-N 3.18Å; S324-M326 VanDerWaalsContact C-N 3.31Å; S324-M326 PolarHBondContact O-N 2.9Å; S324-S327 PolarHBondContact O-N 3.12Å; S324-S327 PolarHBondContact O-OG 2.67Å; S324-R328 PolarHBondContact O-N 2.81Å
325L85.9Confident85.4Confident3 Ų373.9 Ų73.92%0.01636%0.36CS..Hα-helixtrans-62.3-35.4176.6-67.2179.3000113.3I293 L296 L297 F321 H322 R328 R329 L330 L370I293-L325 HydrophobicContact CG2-CD1 4.11Å; L296-L325 HydrophobicContact CB-CD1 4.39Å; L296-L325 HydrophobicContact CD1-CB 4.09Å; L296-L325 HydrophobicContact CD1-CD1 4.36Å; L297-L325 HydrophobicContact CD1-CD1 4.31Å; L297-L325 HydrophobicContact CD2-CD1 4.06Å; L297-L325 HydrophobicContact CD2-CD2 4.13Å; L297-L325 HydrophobicContact CG-CD1 4.15Å; F321-L325 HydrophobicContact CD1-CD1 3.98Å; F321-L325 HydrophobicContact CD1-CG 4.5Å; F321-L325 HydrophobicContact CE1-CD1 3.49Å; F321-L325 VanDerWaalsContact CE1-CD1 3.49Å; F321-L325 HydrophobicContact CE1-CG 4.15Å; F321-L325 HydrophobicContact CE2-CD2 4.33Å; F321-L325 HydrophobicContact CE2-CG 4.32Å; F321-L325 HydrophobicContact CZ-CD1 3.79Å; F321-L325 HydrophobicContact CZ-CD2 4.07Å; F321-L325 HydrophobicContact CZ-CG 4.04Å; F321-L325 WeakPolarHBondContact O-CG 3.43Å; F321-L325 PolarHBondContact O-N 3.37Å; H322-L325 PolarHBondContact O-N 3.03Å; L325-R328 CarbonylContact O-C 3.58Å; L325-R328 VanDerWaalsContact O-O 3.05Å; L325-R329 WeakPolarHBondContact O-CA 3.47Å; L325-R329 PolarHBondContact O-N 2.81Å; L325-L330 HydrophobicContact CD2-CD1 3.97Å; L325-L330 HydrophobicContact CD2-CG 4.16Å; L325-L370 HydrophobicContact CD2-CD2 4.32Å
326M85.1Confident85.1Confident84 Ų8472.7 Ų72.741%0.41436%0.361SS..Hα-helixtrans-72.7-32177.4-73.4-62.3-66.100112.6L296 H322 K323 S324 R328L296-M326 HydrophobicContact CD1-CG 4.41Å; L296-M326 HydrophobicContact CD1-SD 4Å; L296-M326 HydrophobicContact CD2-SD 4.26Å; H322-M326 WeakPolarHBondContact O-CB 3.34Å; H322-M326 VanDerWaalsContact O-CG 3.3Å; H322-M326 WeakPolarHBondContact O-CG 3.4Å; H322-M326 PolarHBondContact O-N 2.87Å; K323-M326 PolarHBondContact O-N 2.94Å; S324-M326 VanDerWaalsContact C-N 3.31Å; S324-M326 PolarHBondContact O-N 2.9Å; M326-R328 VanDerWaalsContact C-N 3.34Å
327S84.3Confident84.9Confident89 Ų8969.4 Ų69.462%0.62234%0.337SS*.Hα-helixtrans-67.3-34.7177.976.90000112.6K323 S324K323-S327 PolarHBondContact O-N 3.42Å; S324-S327 PolarHBondContact O-N 3.12Å; S324-S327 PolarHBondContact O-OG 2.67Å
328R80.9Confident84.8Confident167 Ų16774.7 Ų74.763%0.6336%0.36SS*.SBendtrans-136.394.4175.8-67.4-177.2176.1-142.4-3.9109.2S324 L325 M326 L330 P367S324-R328 PolarHBondContact O-N 2.81Å; L325-R328 CarbonylContact O-C 3.58Å; L325-R328 VanDerWaalsContact O-O 3.05Å; M326-R328 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 2.83Å; R328-P367 HydrophobicContact CB-CB 4.04Å; R328-P367 HydrophobicContact CB-CG 3.99Å
329R75.9Confident84.5Confident177 Ų17777.4 Ų77.467%0.66839%0.389SS*.  trans-61.5133.4-176.9-67.2-171.6-177.8-172.21.7111.2L325L325-R329 WeakPolarHBondContact O-CA 3.47Å; L325-R329 PolarHBondContact O-N 2.81Å
330L81.1Confident84.4Confident23 Ų2375.7 Ų75.712%0.1238%0.379CS..  trans-77.4138.8169.5-54.3-171.2000109.8L297 L325 R328 L332 P367 L370 Q371L297-L330 HydrophobicContact CD2-CD1 3.35Å; L325-L330 HydrophobicContact CD2-CD1 3.97Å; L325-L330 HydrophobicContact CD2-CG 4.16Å; R328-L330 PolarHBondContact O-N 2.83Å; L330-L332 VanDerWaalsContact C-N 3.28Å; L330-L332 HydrophobicContact CB-CD1 4.12Å; L330-L332 HydrophobicContact CB-CG 4.08Å; L330-L332 HydrophobicContact CD1-CD1 3.81Å; L330-L332 PolarHBondContact O-N 2.89Å; L330-P367 HydrophobicContact CD2-CB 3.49Å; L330-P367 VanDerWaalsContact CD2-CB 3.49Å; L330-P367 WeakPolarHBondContact CD2-O 3.32Å; L330-L370 HydrophobicContact CD1-CD2 4.29Å; L330-Q371 HydrophobicContact CD2-CB 4.23Å
331H81.2Confident84.4Confident151 Ų15175 Ų7570%0.69937%0.37SS*.  trans-92.764.5174.2-59.484.6000109.4
332L80.9Confident84.4Confident23 Ų2375 Ų7512%0.1237%0.37CS..  trans-104140.3176.5-66.5173.7000110L330 Q371 L374 Q375L330-L332 VanDerWaalsContact C-N 3.28Å; L330-L332 HydrophobicContact CB-CD1 4.12Å; L330-L332 HydrophobicContact CB-CG 4.08Å; L330-L332 HydrophobicContact CD1-CD1 3.81Å; L330-L332 PolarHBondContact O-N 2.89Å; L332-Q371 HydrophobicContact CD2-CG 3.88Å; L332-Q371 HydrophobicContact CG-CG 4.24Å; L332-L374 HydrophobicContact CD1-CD1 4.04Å; L332-Q375 HydrophobicContact CD2-CG 3.77Å
333H81Confident84.3Confident129 Ų12974.8 Ų74.860%0.59737%0.37SS*.  trans-67.9137171.3-175.8-93.3000109.2G298 R335 S336G298-H333 WeakPolarHBondContact CA-O 3.43Å; H333-R335 PolarHBondContact ND1-N 2.85Å; H333-R335 PolarHBondContact O-N 3.02Å; H333-S336 WeakPolarHBondContact O-CB 3.23Å; H333-S336 PolarHBondContact O-N 3.45Å; H333-S336 PolarHBondContact O-OG 2.96Å
334P76.1Confident84.2Confident84 Ų8469.4 Ų69.455%0.54535%0.347SS..THydrogen-bonded Turntrans-57.4-14.6-174.1-27.634.5000116.2G298 G299G298-P334 VanDerWaalsContact C-C 3.5Å; G298-P334 CarbonylContact C-O 3.52Å; G298-P334 CarbonylContact O-C 3.55Å; G298-P334 VanDerWaalsContact O-O 3.11Å; G299-P334 PolarHBondContact N-O 3Å
335R80.8Confident84Confident194 Ų19469.5 Ų69.573%0.73235%0.345SS*.THydrogen-bonded Turntrans-119.89.3178.3-61.2-176.4178.3171.2-1.1114G298 H333 L337 H338G298-R335 CarbonylContact O-C 3.54Å; G298-R335 VanDerWaalsContact O-C 3.32Å; G298-R335 WeakPolarHBondContact O-CA 3.4Å; H333-R335 PolarHBondContact ND1-N 2.85Å; H333-R335 PolarHBondContact O-N 3.02Å; R335-L337 VanDerWaalsContact C-N 3.3Å; R335-L337 PolarHBondContact O-N 3.43Å; R335-H338 PolarHBondContact O-N 2.9Å
336S85.2Confident83.6Confident35 Ų3573 Ų7325%0.24536%0.363CS..THydrogen-bonded Turntrans-63.8-33.9-175.551.90000113.1G298 H333 R382G298-S336 PolarHBondContact O-N 3.41Å; H333-S336 WeakPolarHBondContact O-CB 3.23Å; H333-S336 PolarHBondContact O-N 3.45Å; H333-S336 PolarHBondContact O-OG 2.96Å; S336-R382 PolarHBondContact O-NH2 3.1Å
337L85.6Confident83.1Confident3 Ų376.4 Ų76.42%0.01638%0.383CS..THydrogen-bonded Turntrans-115.218.7-178.1-54.5-177.3000112.3L297 G298 R335 G339 L340 L374 A378L297-L337 VanDerWaalsContact O-CD1 3.29Å; L297-L337 WeakPolarHBondContact O-CD1 3.33Å; G298-L337 CarbonylContact O-C 3.57Å; G298-L337 PolarHBondContact O-N 3.03Å; R335-L337 VanDerWaalsContact C-N 3.3Å; R335-L337 PolarHBondContact O-N 3.43Å; L337-G339 PolarHBondContact O-N 3.06Å; L337-L340 HydrophobicContact CB-CD1 4.4Å; L337-L340 HydrophobicContact CD2-CD1 4.09Å; L337-L340 WeakPolarHBondContact O-CB 3.33Å; L337-L340 PolarHBondContact O-N 2.97Å; L337-L340 VanDerWaalsContact O-N 3.09Å; L337-L374 HydrophobicContact CD1-CB 3.88Å; L337-L374 HydrophobicContact CD1-CD1 3.9Å; L337-L374 HydrophobicContact CD1-CD2 4Å; L337-L374 HydrophobicContact CD1-CG 4.13Å; L337-A378 HydrophobicContact CD2-CB 3.67Å
338H86.8Confident82.6Confident134 Ų13478.2 Ų78.262%0.6238%0.376SS*.THydrogen-bonded Turntrans-61.3135.6178.3-170.466.6000111.4G298 R335 L340G298-H338 PolarHBondContact O-N 2.96Å; R335-H338 PolarHBondContact O-N 2.9Å; H338-L340 VanDerWaalsContact C-N 3.27Å; H338-L340 PolarHBondContact O-N 2.96Å
339G84.1Confident82.2Confident58 Ų5875.4 Ų75.460%0.59838%0.382SS*.THydrogen-bonded Turntrans83.1-4.9-175.300000114.7L337L337-G339 PolarHBondContact O-N 3.06Å
340L89.6Confident82.5Confident3 Ų371.3 Ų71.32%0.01638%0.377CS..  trans-94.5151171.1-60.3176000110.5S300 Q301 L337 H338 F359 A378 A381 R382S300-L340 CarbonylContact C-O 3.32Å; S300-L340 WeakPolarHBondContact CA-O 3.26Å; Q301-L340 PolarHBondContact N-O 2.74Å; L337-L340 HydrophobicContact CB-CD1 4.4Å; L337-L340 HydrophobicContact CD2-CD1 4.09Å; L337-L340 WeakPolarHBondContact O-CB 3.33Å; L337-L340 PolarHBondContact O-N 2.97Å; L337-L340 VanDerWaalsContact O-N 3.09Å; H338-L340 VanDerWaalsContact C-N 3.27Å; H338-L340 PolarHBondContact O-N 2.96Å; L340-F359 HydrophobicContact CB-CE2 4.11Å; L340-F359 HydrophobicContact CD1-CE2 3.66Å; L340-F359 HydrophobicContact CD1-CZ 4.12Å; L340-F359 HydrophobicContact CG-CE2 4.45Å; L340-A378 HydrophobicContact CD1-CB 4.49Å; L340-A381 HydrophobicContact CD1-CB 4.04Å; L340-A381 HydrophobicContact CD2-CB 3.88Å; L340-R382 HydrophobicContact CD1-CG 4.13Å; L340-R382 HydrophobicContact CD2-CB 4.47Å; L340-R382 HydrophobicContact CD2-CG 3.74Å; L340-R382 HydrophobicContact CG-CG 4.19Å
341T90.6Very high82.8Confident36 Ų3671.4 Ų71.422%0.22138%0.379CS..EExtended strand (participates in β ladder)trans-112.1150.6-179.7590000110.1Q301 I303 H358 F359Q301-T341 HydrophobicContact CB-CG2 4.34Å; Q301-T341 CarbonylContact O-C 3.51Å; Q301-T341 WeakPolarHBondContact O-CA 3.49Å; I303-T341 HydrophobicContact CD1-CG2 3.42Å; I303-T341 VanDerWaalsContact CD1-CG2 3.42Å; I303-T341 HydrophobicContact CG1-CG2 4.3Å; T341-H358 CarbonylContact O-C 3.55Å; T341-H358 VanDerWaalsContact O-CA 3.32Å; T341-H358 WeakPolarHBondContact O-CA 3.48Å; T341-H358 WeakPolarHBondContact OG1-CB 3.24Å; T341-F359 PolarHBondContact O-N 3.34Å
342M89.5Confident83.2Confident1 Ų165.6 Ų65.61%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-137.3150.9177.963172.8-85.500111.1L297 S300 Q301 V302 I303 F321 L344 F359 I361L297-M342 HydrophobicContact CB-SD 4.46Å; L297-M342 HydrophobicContact CD1-CE 3.44Å; L297-M342 VanDerWaalsContact CD1-CE 3.44Å; L297-M342 HydrophobicContact CD1-SD 3.19Å; L297-M342 WeakPolarHBondContact CD1-SD 2.78Å; L297-M342 HydrophobicContact CG-SD 4.42Å; S300-M342 PolarHBondContact OG-SD 2.86Å; S300-M342 VanDerWaalsContact OG-SD 3.4Å; Q301-M342 WeakPolarHBondContact O-CG 3.41Å; Q301-M342 PolarHBondContact O-N 3.17Å; V302-M342 HydrophobicContact CB-CG 4.37Å; V302-M342 HydrophobicContact CG1-CE 4.45Å; V302-M342 HydrophobicContact CG2-CE 4.13Å; V302-M342 HydrophobicContact CG2-CG 4.06Å; V302-M342 HydrophobicContact CG2-SD 3.88Å; I303-M342 PolarHBondContact N-O 2.82Å; F321-M342 HydrophobicContact CE1-CE 4.1Å; M342-L344 HydrophobicContact CE-CD2 3.67Å; M342-L344 HydrophobicContact CE-CG 4.2Å; M342-F359 CarbonylContact C-O 3.47Å; M342-F359 VanDerWaalsContact CA-O 3.23Å; M342-F359 WeakPolarHBondContact CA-O 3.45Å; M342-F359 HydrophobicContact CB-CB 4.05Å; M342-I361 HydrophobicContact CB-CD1 4.13Å; M342-I361 HydrophobicContact CE-CD1 3.59Å; M342-I361 HydrophobicContact SD-CD1 3.92Å
343V89.3Confident83.7Confident8 Ų865.9 Ų65.95%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-124.6133.5178.6-179.50000107.8I303 L305 F359 I360 I361I303-V343 WeakPolarHBondContact O-CA 3.45Å; L305-V343 HydrophobicContact CB-CG1 4.1Å; L305-V343 HydrophobicContact CB-CG2 3.85Å; L305-V343 HydrophobicContact CD1-CG2 3.69Å; L305-V343 HydrophobicContact CG-CG2 3.77Å; V343-F359 PolarHBondContact N-O 3.47Å; V343-I360 WeakPolarHBondContact O-CA 3.4Å; V343-I361 PolarHBondContact O-N 3.36Å
344L86.2Confident84Confident19 Ų1963.1 Ų63.110%0.09934%0.344CS..EExtended strand (participates in β ladder)trans-87.2128.1169.6-64.4178.4000109.2V302 L318 F321 M342 I361V302-L344 HydrophobicContact CG1-CD1 4.48Å; L318-L344 HydrophobicContact CD2-CD1 3.35Å; L318-L344 HydrophobicContact CG-CD1 4.26Å; F321-L344 HydrophobicContact CB-CD1 4.38Å; F321-L344 HydrophobicContact CD1-CD1 3.9Å; F321-L344 HydrophobicContact CD1-CD2 3.75Å; F321-L344 HydrophobicContact CD1-CG 4.5Å; F321-L344 HydrophobicContact CD2-CD2 4.32Å; F321-L344 HydrophobicContact CE1-CD2 3.68Å; F321-L344 HydrophobicContact CE2-CD2 4.28Å; F321-L344 HydrophobicContact CG-CD1 4.28Å; F321-L344 HydrophobicContact CG-CD2 4.07Å; F321-L344 HydrophobicContact CZ-CD2 3.97Å; M342-L344 HydrophobicContact CE-CD2 3.67Å; M342-L344 HydrophobicContact CE-CG 4.2Å; L344-I361 WeakPolarHBondContact CA-O 3.42Å; L344-I361 HydrophobicContact CD2-CB 4.16Å; L344-I361 HydrophobicContact CD2-CG2 4.27Å
345D83.9Confident84.5Confident39 Ų3967 Ų6721%0.20936%0.355CS..EExtended strand (participates in β ladder)trans-121.9134179.1-169.5-8.7000109.3D347 R348 I360 I361 P362 I363D345-D347 PolarHBondContact OD1-N 3.34Å; D345-R348 WeakPolarHBondContact OD2-CD 3.37Å; D345-R348 WeakPolarHBondContact OD2-CG 3.39Å; D345-R348 IonicContact OD2-NE 3.29Å; D345-R348 PolarHBondContact OD2-NE 3.45Å; D345-R348 VanDerWaalsContact OD2-NE 3.1Å; D345-I360 HydrophobicContact CB-CG2 3.59Å; D345-I361 PolarHBondContact N-O 3.42Å; D345-P362 VanDerWaalsContact O-CA 3.28Å; D345-P362 WeakPolarHBondContact O-CA 3.34Å; D345-I363 PolarHBondContact O-N 2.9Å
346N76.7Confident84.5Confident75 Ų7560.9 Ų60.940%0.40134%0.34SS..SBendtrans-89.9-23.2-178.5-65.87.4000111.6T317 I363T317-N346 WeakPolarHBondContact CG2-OD1 3.38Å; N346-I363 HydrophobicContact CB-CD1 3.93Å; N346-I363 WeakPolarHBondContact OD1-CD1 3.36Å; N346-I363 VanDerWaalsContact OD1-CG1 3.22Å; N346-I363 WeakPolarHBondContact OD1-CG1 3.38Å
347D75.1Confident84.5Confident156 Ų15659.2 Ų59.283%0.83433%0.328SS*.SBendtrans-89.2-13.5-168.3-64.5-24.2000112.6D345D345-D347 PolarHBondContact OD1-N 3.34Å
348R74Confident84.6Confident127 Ų12760 Ų6048%0.47933%0.331SS..  trans-96.3151.9-177.5-67.8-178.5-174.4-116.6-8.4112.3D345 S352 P362D345-R348 WeakPolarHBondContact OD2-CD 3.37Å; D345-R348 WeakPolarHBondContact OD2-CG 3.39Å; D345-R348 IonicContact OD2-NE 3.29Å; D345-R348 PolarHBondContact OD2-NE 3.45Å; D345-R348 VanDerWaalsContact OD2-NE 3.1Å; R348-S352 PolarHBondContact NH1-OG 2.91Å; R348-P362 HydrophobicContact CB-CB 4.39Å; R348-P362 WeakPolarHBondContact O-CB 3.15Å
349S72.4Confident84.8Confident108 Ų10853.7 Ų53.776%0.75530%0.302SS*.SBendtrans-100.5-23.8174.457.50000113.3
350T81.6Confident85.1Confident91 Ų9151.6 Ų51.656%0.55828%0.277SS*.SBendtrans-124.6142.3-176.556.60000112.3
351P88.6Confident85Confident25 Ų2551.4 Ų51.416%0.16228%0.276CS..  trans-65.9143.5173.630.5-34.8000110.4I360 L370 F373P351-I360 CarbonylContact C-O 3.54Å; P351-I360 VanDerWaalsContact CA-O 3.3Å; P351-I360 WeakPolarHBondContact CA-O 3.18Å; P351-L370 HydrophobicContact CB-CD1 4.2Å; P351-F373 HydrophobicContact CB-CD1 3.67Å; P351-F373 HydrophobicContact CB-CE1 3.83Å; P351-F373 HydrophobicContact CB-CG 4.1Å; P351-F373 HydrophobicContact CB-CZ 4.42Å; P351-F373 HydrophobicContact CG-CB 4.2Å; P351-F373 HydrophobicContact CG-CD1 3.97Å; P351-F373 HydrophobicContact CG-CD2 4.34Å; P351-F373 HydrophobicContact CG-CE1 4.49Å; P351-F373 HydrophobicContact CG-CG 3.89Å
352S89.6Confident84.8Confident29 Ų2949.8 Ų49.820%0.20327%0.266CS..EExtended strand (participates in β ladder)trans-143.6155.5-178.856.60000111.5R348 I360R348-S352 PolarHBondContact NH1-OG 2.91Å; S352-I360 PolarHBondContact N-O 3.41Å; S352-I360 PolarHBondContact O-N 3.28Å
353L90.4Very high84.5Confident29 Ų2951 Ų5115%0.15227%0.272CS..EExtended strand (participates in β ladder)trans-103119176.8179.465.6000108.9F359 F373 H377 E380 A381 R384L353-F359 HydrophobicContact CD1-CD1 3.78Å; L353-F359 HydrophobicContact CD1-CE1 3.8Å; L353-F359 HydrophobicContact CD1-CG 4.46Å; L353-F359 HydrophobicContact CD1-CZ 4.48Å; L353-F373 HydrophobicContact CB-CZ 4.33Å; L353-H377 HydrophobicContact CD2-CB 4.43Å; L353-E380 HydrophobicContact CD2-CB 4.08Å; L353-E380 HydrophobicContact CD2-CG 3.8Å; L353-A381 HydrophobicContact CD1-CB 3.65Å; L353-A381 HydrophobicContact CD2-CB 4.26Å; L353-R384 PolarHBondContact O-NH1 2.97Å
354H88.6Confident84.1Confident71 Ų7157.9 Ų57.933%0.32931%0.309SS..  trans-70156.2177.5-167.6-97.3000111.5T356 G357 H358 I360 R384H354-T356 PolarHBondContact ND1-N 2.96Å; H354-T356 VanDerWaalsContact ND1-N 3.16Å; H354-T356 PolarHBondContact ND1-OG1 3.46Å; H354-T356 PolarHBondContact O-N 2.98Å; H354-G357 PolarHBondContact O-N 3.09Å; H354-H358 WeakPolarHBondContact CB-CE1 3.46Å; H354-H358 WeakPolarHBondContact CB-NE2 3.47Å; H354-H358 WeakPolarHBondContact CB-O 3.17Å; H354-H358 AromaticContact CD2-CE1 3.82Å; H354-H358 AromaticContact CD2-NE2 3.97Å; H354-H358 AromaticContact CE1-CE1 3.83Å; H354-H358 AromaticContact CG-CE1 3.14Å; H354-H358 AromaticContact CG-ND1 3.77Å; H354-H358 AromaticContact CG-NE2 3.51Å; H354-H358 PolarHBondContact N-O 2.87Å; H354-H358 AromaticContact ND1-CE1 3.14Å; H354-H358 PolarHBondContact ND1-CE1 3.46Å; H354-H358 AromaticContact ND1-ND1 3.64Å; H354-H358 AromaticContact ND1-NE2 3.97Å; H354-I360 HydrophobicContact CB-CD1 4.08Å; H354-I360 HydrophobicContact CB-CG1 4.39Å; H354-R384 PolarHBondContact O-NH1 3.04Å
355E85.7Confident83.9Confident166 Ų16657.6 Ų57.678%0.77631%0.308SS*.THydrogen-bonded Turntrans-57.3-33.6178.4-64.7179.9175.700112.3G357E355-G357 PolarHBondContact O-N 2.98Å
356T82.1Confident83.9Confident66 Ų6658.5 Ų58.541%0.40531%0.313SS..THydrogen-bonded Turntrans-79.94.7177.562.30000114.4H354 H358H354-T356 PolarHBondContact ND1-N 2.96Å; H354-T356 VanDerWaalsContact ND1-N 3.16Å; H354-T356 PolarHBondContact ND1-OG1 3.46Å; H354-T356 PolarHBondContact O-N 2.98Å; T356-H358 PolarHBondContact OG1-CE1 2.9Å; T356-H358 PolarHBondContact OG1-ND1 2.89Å
357G83.8Confident84.2Confident0 Ų055.4 Ų55.40%030%0.297CS..SBendtrans85.89.9173.100000115.8H354 E355H354-G357 PolarHBondContact O-N 3.09Å; E355-G357 PolarHBondContact O-N 2.98Å
358H88.6Confident84.6Confident19 Ų1953.1 Ų53.19%0.08829%0.285CS..  trans-93.9146.417267.3-93.7000111.6T341 H354 T356T341-H358 CarbonylContact O-C 3.55Å; T341-H358 VanDerWaalsContact O-CA 3.32Å; T341-H358 WeakPolarHBondContact O-CA 3.48Å; T341-H358 WeakPolarHBondContact OG1-CB 3.24Å; H354-H358 WeakPolarHBondContact CB-CE1 3.46Å; H354-H358 WeakPolarHBondContact CB-NE2 3.47Å; H354-H358 WeakPolarHBondContact CB-O 3.17Å; H354-H358 AromaticContact CD2-CE1 3.82Å; H354-H358 AromaticContact CD2-NE2 3.97Å; H354-H358 AromaticContact CE1-CE1 3.83Å; H354-H358 AromaticContact CG-CE1 3.14Å; H354-H358 AromaticContact CG-ND1 3.77Å; H354-H358 AromaticContact CG-NE2 3.51Å; H354-H358 PolarHBondContact N-O 2.87Å; H354-H358 AromaticContact ND1-CE1 3.14Å; H354-H358 PolarHBondContact ND1-CE1 3.46Å; H354-H358 AromaticContact ND1-ND1 3.64Å; H354-H358 AromaticContact ND1-NE2 3.97Å; T356-H358 PolarHBondContact OG1-CE1 2.9Å; T356-H358 PolarHBondContact OG1-ND1 2.89Å
359F90.5Very high85.2Confident1 Ų154 Ų540%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-81138176-63.6-69.6000111L340 T341 M342 V343 L353 I361 F373 L374 H377 A381L340-F359 HydrophobicContact CB-CE2 4.11Å; L340-F359 HydrophobicContact CD1-CE2 3.66Å; L340-F359 HydrophobicContact CD1-CZ 4.12Å; L340-F359 HydrophobicContact CG-CE2 4.45Å; T341-F359 PolarHBondContact O-N 3.34Å; M342-F359 CarbonylContact C-O 3.47Å; M342-F359 VanDerWaalsContact CA-O 3.23Å; M342-F359 WeakPolarHBondContact CA-O 3.45Å; M342-F359 HydrophobicContact CB-CB 4.05Å; V343-F359 PolarHBondContact N-O 3.47Å; L353-F359 HydrophobicContact CD1-CD1 3.78Å; L353-F359 HydrophobicContact CD1-CE1 3.8Å; L353-F359 HydrophobicContact CD1-CG 4.46Å; L353-F359 HydrophobicContact CD1-CZ 4.48Å; F359-I361 HydrophobicContact CB-CD1 4.3Å; F359-I361 HydrophobicContact CB-CG1 4.22Å; F359-F373 AromaticContact CD1-CE1 3.76Å; F359-F373 HydrophobicContact CD1-CE1 3.76Å; F359-F373 HydrophobicContact CD1-CZ 4.41Å; F359-F373 HydrophobicContact CE1-CE1 4.19Å; F359-L374 HydrophobicContact CB-CD2 4.45Å; F359-L374 HydrophobicContact CD1-CD2 3.95Å; F359-L374 HydrophobicContact CD2-CD2 3.97Å; F359-L374 HydrophobicContact CE1-CD2 4.11Å; F359-L374 HydrophobicContact CE2-CD2 4.12Å; F359-L374 HydrophobicContact CG-CD2 3.86Å; F359-L374 HydrophobicContact CZ-CD2 4.19Å; F359-H377 HydrophobicContact CE1-CB 4.01Å; F359-A381 HydrophobicContact CE1-CB 4.16Å; F359-A381 HydrophobicContact CE2-CB 4.12Å; F359-A381 HydrophobicContact CZ-CB 3.65Å
360I89.6Confident86Confident14 Ų1448.9 Ų48.97%0.07226%0.256CS..EExtended strand (participates in β ladder)trans-109.7112.6170.7-57172.6000106.6V343 D345 P351 S352 H354V343-I360 WeakPolarHBondContact O-CA 3.4Å; D345-I360 HydrophobicContact CB-CG2 3.59Å; P351-I360 CarbonylContact C-O 3.54Å; P351-I360 VanDerWaalsContact CA-O 3.3Å; P351-I360 WeakPolarHBondContact CA-O 3.18Å; S352-I360 PolarHBondContact N-O 3.41Å; S352-I360 PolarHBondContact O-N 3.28Å; H354-I360 HydrophobicContact CB-CD1 4.08Å; H354-I360 HydrophobicContact CB-CG1 4.39Å
361I88.4Confident86.3Confident0 Ų045.8 Ų45.80%024%0.235CC..EExtended strand (participates in β ladder)trans-115.6122.8-172-61.8171.1000109.1F321 M342 V343 L344 D345 F359 L370 L374F321-I361 HydrophobicContact CE2-CG2 3.89Å; F321-I361 HydrophobicContact CZ-CG2 3.83Å; M342-I361 HydrophobicContact CB-CD1 4.13Å; M342-I361 HydrophobicContact CE-CD1 3.59Å; M342-I361 HydrophobicContact SD-CD1 3.92Å; V343-I361 PolarHBondContact O-N 3.36Å; L344-I361 WeakPolarHBondContact CA-O 3.42Å; L344-I361 HydrophobicContact CD2-CB 4.16Å; L344-I361 HydrophobicContact CD2-CG2 4.27Å; D345-I361 PolarHBondContact N-O 3.42Å; F359-I361 HydrophobicContact CB-CD1 4.3Å; F359-I361 HydrophobicContact CB-CG1 4.22Å; I361-L370 HydrophobicContact CD1-CD1 4.02Å; I361-L370 HydrophobicContact CG1-CD1 3.97Å; I361-L370 HydrophobicContact CG2-CD1 3.84Å; I361-L370 HydrophobicContact CG2-CD2 4.01Å; I361-L374 HydrophobicContact CD1-CD2 4.22Å
362P86.8Confident86.2Confident1 Ų149.8 Ų49.81%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-76.6145.4176.528.4-30.2000111.9D345 R348 N364 C365D345-P362 VanDerWaalsContact O-CA 3.28Å; D345-P362 WeakPolarHBondContact O-CA 3.34Å; R348-P362 HydrophobicContact CB-CB 4.39Å; R348-P362 WeakPolarHBondContact O-CB 3.15Å; P362-N364 PolarHBondContact O-N 3.05Å; P362-C365 HydrophobicContact CG-CB 3.99Å; P362-C365 WeakPolarHBondContact O-CB 3.25Å; P362-C365 PolarHBondContact O-N 3Å
363I82.9Confident86.3Confident26 Ų2649.7 Ų49.713%0.13325%0.25CS..THydrogen-bonded Turntrans-56.5-40.9-178.5-52.7161.3000111.7T317 A320 F321 D345 N346 C365T317-I363 HydrophobicContact CG2-CD1 3.63Å; T317-I363 HydrophobicContact CG2-CG1 3.73Å; A320-I363 HydrophobicContact CB-CG2 4.45Å; F321-I363 HydrophobicContact CB-CG2 4.21Å; D345-I363 PolarHBondContact O-N 2.9Å; N346-I363 HydrophobicContact CB-CD1 3.93Å; N346-I363 WeakPolarHBondContact OD1-CD1 3.36Å; N346-I363 VanDerWaalsContact OD1-CG1 3.22Å; N346-I363 WeakPolarHBondContact OD1-CG1 3.38Å; I363-C365 VanDerWaalsContact C-N 3.3Å; I363-C365 PolarHBondContact O-N 2.82Å
364N80.9Confident86.2Confident154 Ų15448.4 Ų48.482%0.82424%0.244SC*.THydrogen-bonded Turntrans-93.624.1-172.2-65-20.8000112.9P362P362-N364 PolarHBondContact O-N 3.05Å
365C80.9Confident86.2Confident12 Ų1249.6 Ų49.68%0.08125%0.249CC..  trans-68.6141.5179-164.50000111.8P362 I363 P367P362-C365 HydrophobicContact CG-CB 3.99Å; P362-C365 WeakPolarHBondContact O-CB 3.25Å; P362-C365 PolarHBondContact O-N 3Å; I363-C365 VanDerWaalsContact C-N 3.3Å; I363-C365 PolarHBondContact O-N 2.82Å; C365-P367 VanDerWaalsContact O-CD 3.32Å; C365-P367 WeakPolarHBondContact O-CD 3.5Å
366D84.5Confident86.4Confident58 Ų5845 Ų4531%0.3124%0.236SC..  trans-65121.8165.617714.3000109.6L368 K369 L370D366-L368 PolarHBondContact O-N 3.44Å; D366-L368 PolarHBondContact OD1-N 3.21Å; D366-K369 HydrophobicContact CB-CB 4.29Å; D366-K369 HydrophobicContact CB-CD 4.17Å; D366-K369 HydrophobicContact CB-CG 4.19Å; D366-K369 PolarHBondContact O-N 3.05Å; D366-L370 PolarHBondContact O-N 3.27Å
367P84Confident86.8Confident11 Ų1144.6 Ų44.67%0.07123%0.229CC..Hα-helixtrans-55.8-34.8-178.4-31.441.1000113.7R328 L330 C365 L370 Q371R328-P367 HydrophobicContact CB-CB 4.04Å; R328-P367 HydrophobicContact CB-CG 3.99Å; L330-P367 HydrophobicContact CD2-CB 3.49Å; L330-P367 VanDerWaalsContact CD2-CB 3.49Å; L330-P367 WeakPolarHBondContact CD2-O 3.32Å; C365-P367 VanDerWaalsContact O-CD 3.32Å; C365-P367 WeakPolarHBondContact O-CD 3.5Å; P367-L370 WeakPolarHBondContact O-CB 3.37Å; P367-L370 PolarHBondContact O-N 3.27Å; P367-Q371 PolarHBondContact O-N 2.9Å
368L83.6Confident87Confident108 Ų10845.2 Ų45.257%0.56523%0.234SC*.Hα-helixtrans-68.8-44.5-179.8-171.469.4000111.9D366 L370 Q371 L372D366-L368 PolarHBondContact O-N 3.44Å; D366-L368 PolarHBondContact OD1-N 3.21Å; L368-L370 VanDerWaalsContact C-N 3.29Å; L368-L370 PolarHBondContact O-N 3.47Å; L368-Q371 PolarHBondContact O-N 3.15Å; L368-L372 PolarHBondContact O-N 2.9Å
369K86.6Confident87.1Confident144 Ų14448 Ų4863%0.62625%0.254SS*.Hα-helixtrans-63-39.2174.6-67-177.8-175.21790111.1D366 L372 F373D366-K369 HydrophobicContact CB-CB 4.29Å; D366-K369 HydrophobicContact CB-CD 4.17Å; D366-K369 HydrophobicContact CB-CG 4.19Å; D366-K369 PolarHBondContact O-N 3.05Å; K369-L372 PolarHBondContact O-N 3.38Å; K369-F373 VanDerWaalsContact O-CB 3.28Å; K369-F373 WeakPolarHBondContact O-CB 3.48Å; K369-F373 PolarHBondContact O-N 3.06Å
370L87.8Confident87.1Confident1 Ų151.8 Ų51.81%0.00527%0.272CS..Hα-helixtrans-61.6-44.6175.9-176.659.9000111.4L297 F321 L325 L330 P351 I361 D366 P367 L368 L372 F373 L374L297-L370 HydrophobicContact CD2-CD2 4.44Å; F321-L370 HydrophobicContact CE2-CD2 4.41Å; F321-L370 HydrophobicContact CZ-CD2 4.21Å; L325-L370 HydrophobicContact CD2-CD2 4.32Å; L330-L370 HydrophobicContact CD1-CD2 4.29Å; P351-L370 HydrophobicContact CB-CD1 4.2Å; I361-L370 HydrophobicContact CD1-CD1 4.02Å; I361-L370 HydrophobicContact CG1-CD1 3.97Å; I361-L370 HydrophobicContact CG2-CD1 3.84Å; I361-L370 HydrophobicContact CG2-CD2 4.01Å; D366-L370 PolarHBondContact O-N 3.27Å; P367-L370 WeakPolarHBondContact O-CB 3.37Å; P367-L370 PolarHBondContact O-N 3.27Å; L368-L370 VanDerWaalsContact C-N 3.29Å; L368-L370 PolarHBondContact O-N 3.47Å; L370-L372 PolarHBondContact O-N 2.9Å; L370-F373 PolarHBondContact O-N 3.31Å; L370-L374 HydrophobicContact CD1-CD1 3.98Å; L370-L374 HydrophobicContact CD1-CD2 4.43Å; L370-L374 HydrophobicContact CD1-CG 3.99Å; L370-L374 HydrophobicContact CG-CD1 3.86Å; L370-L374 HydrophobicContact CG-CG 4.29Å; L370-L374 WeakPolarHBondContact O-CB 3.44Å; L370-L374 VanDerWaalsContact O-CG 3.26Å; L370-L374 WeakPolarHBondContact O-CG 3.45Å; L370-L374 PolarHBondContact O-N 2.97Å
371Q87.6Confident87Confident27 Ų2751.1 Ų51.113%0.12627%0.268CS..Hα-helixtrans-58.3-50.4178.5-169-179.8-45.700111.9L330 L332 P367 L368 F373 L374 Q375L330-Q371 HydrophobicContact CD2-CB 4.23Å; L332-Q371 HydrophobicContact CD2-CG 3.88Å; L332-Q371 HydrophobicContact CG-CG 4.24Å; P367-Q371 PolarHBondContact O-N 2.9Å; L368-Q371 PolarHBondContact O-N 3.15Å; Q371-F373 VanDerWaalsContact C-N 3.32Å; Q371-F373 PolarHBondContact O-N 3.04Å; Q371-L374 PolarHBondContact O-N 3.39Å; Q371-Q375 WeakPolarHBondContact O-CB 3.38Å; Q371-Q375 WeakPolarHBondContact O-CG 3.42Å; Q371-Q375 PolarHBondContact O-N 3.35Å
372L88.2Confident87.1Confident108 Ų10857.1 Ų57.157%0.56529%0.291SS*.Hα-helixtrans-62.6-41.7179.7-68.8172.9000111.5L368 K369 L370 S376L368-L372 PolarHBondContact O-N 2.9Å; K369-L372 PolarHBondContact O-N 3.38Å; L370-L372 PolarHBondContact O-N 2.9Å; L372-S376 WeakPolarHBondContact O-CB 2.94Å; L372-S376 PolarHBondContact O-N 2.97Å; L372-S376 PolarHBondContact O-OG 3.2Å
373F90.6Very high87.2Confident27 Ų2760.2 Ų60.212%0.11831%0.313CS..Hα-helixtrans-61.5-49.7177.2175.8-98.6000111.8P351 L353 F359 K369 L370 Q371 Q375 S376 H377P351-F373 HydrophobicContact CB-CD1 3.67Å; P351-F373 HydrophobicContact CB-CE1 3.83Å; P351-F373 HydrophobicContact CB-CG 4.1Å; P351-F373 HydrophobicContact CB-CZ 4.42Å; P351-F373 HydrophobicContact CG-CB 4.2Å; P351-F373 HydrophobicContact CG-CD1 3.97Å; P351-F373 HydrophobicContact CG-CD2 4.34Å; P351-F373 HydrophobicContact CG-CE1 4.49Å; P351-F373 HydrophobicContact CG-CG 3.89Å; L353-F373 HydrophobicContact CB-CZ 4.33Å; F359-F373 AromaticContact CD1-CE1 3.76Å; F359-F373 HydrophobicContact CD1-CE1 3.76Å; F359-F373 HydrophobicContact CD1-CZ 4.41Å; F359-F373 HydrophobicContact CE1-CE1 4.19Å; K369-F373 VanDerWaalsContact O-CB 3.28Å; K369-F373 WeakPolarHBondContact O-CB 3.48Å; K369-F373 PolarHBondContact O-N 3.06Å; L370-F373 PolarHBondContact O-N 3.31Å; Q371-F373 VanDerWaalsContact C-N 3.32Å; Q371-F373 PolarHBondContact O-N 3.04Å; F373-Q375 PolarHBondContact O-N 3.18Å; F373-S376 PolarHBondContact O-N 3.38Å; F373-S376 PolarHBondContact O-OG 2.88Å; F373-H377 AromaticContact CD2-CE1 3.51Å; F373-H377 AromaticContact CD2-ND1 3.39Å; F373-H377 WeakPolarHBondContact CD2-ND1 3.19Å; F373-H377 HydrophobicContact CE2-CB 4.5Å; F373-H377 AromaticContact CE2-CD2 3.98Å; F373-H377 AromaticContact CE2-CE1 3.53Å; F373-H377 AromaticContact CE2-CG 3.75Å; F373-H377 AromaticContact CE2-ND1 3.47Å; F373-H377 WeakPolarHBondContact CE2-ND1 3.39Å; F373-H377 AromaticContact CE2-NE2 3.82Å; F373-H377 HydrophobicContact CZ-CB 4.43Å; F373-H377 WeakPolarHBondContact O-CB 3.18Å; F373-H377 PolarHBondContact O-N 2.68Å; F373-H377 PolarHBondContact O-ND1 3.42Å
374L89.4Confident87.5Confident2 Ų262.2 Ų62.21%0.0132%0.319CS..Hα-helixtrans-63-42-179.6-69.5173.5000112L297 L332 L337 F359 I361 L370 Q371 A378L297-L374 HydrophobicContact CD2-CD1 4.3Å; L332-L374 HydrophobicContact CD1-CD1 4.04Å; L337-L374 HydrophobicContact CD1-CB 3.88Å; L337-L374 HydrophobicContact CD1-CD1 3.9Å; L337-L374 HydrophobicContact CD1-CD2 4Å; L337-L374 HydrophobicContact CD1-CG 4.13Å; F359-L374 HydrophobicContact CB-CD2 4.45Å; F359-L374 HydrophobicContact CD1-CD2 3.95Å; F359-L374 HydrophobicContact CD2-CD2 3.97Å; F359-L374 HydrophobicContact CE1-CD2 4.11Å; F359-L374 HydrophobicContact CE2-CD2 4.12Å; F359-L374 HydrophobicContact CG-CD2 3.86Å; F359-L374 HydrophobicContact CZ-CD2 4.19Å; I361-L374 HydrophobicContact CD1-CD2 4.22Å; L370-L374 HydrophobicContact CD1-CD1 3.98Å; L370-L374 HydrophobicContact CD1-CD2 4.43Å; L370-L374 HydrophobicContact CD1-CG 3.99Å; L370-L374 HydrophobicContact CG-CD1 3.86Å; L370-L374 HydrophobicContact CG-CG 4.29Å; L370-L374 WeakPolarHBondContact O-CB 3.44Å; L370-L374 VanDerWaalsContact O-CG 3.26Å; L370-L374 WeakPolarHBondContact O-CG 3.45Å; L370-L374 PolarHBondContact O-N 2.97Å; Q371-L374 PolarHBondContact O-N 3.39Å; L374-A378 VanDerWaalsContact O-CB 3.26Å; L374-A378 WeakPolarHBondContact O-CB 3.35Å; L374-A378 PolarHBondContact O-N 3.17Å
375Q88Confident87.6Confident96 Ų9656.2 Ų56.245%0.44929%0.288SS..Hα-helixtrans-66.9-40.8179.1-72.8178.7-23.700112.5L332 Q371 F373L332-Q375 HydrophobicContact CD2-CG 3.77Å; Q371-Q375 WeakPolarHBondContact O-CB 3.38Å; Q371-Q375 WeakPolarHBondContact O-CG 3.42Å; Q371-Q375 PolarHBondContact O-N 3.35Å; F373-Q375 PolarHBondContact O-N 3.18Å
376S90.4Very high87.8Confident70 Ų7061.1 Ų61.149%0.4931%0.312SS..Hα-helixtrans-71.7-37.1-179.749.70000113.2L372 F373L372-S376 WeakPolarHBondContact O-CB 2.94Å; L372-S376 PolarHBondContact O-N 2.97Å; L372-S376 PolarHBondContact O-OG 3.2Å; F373-S376 PolarHBondContact O-N 3.38Å; F373-S376 PolarHBondContact O-OG 2.88Å
377H90.3Very high87.4Confident58 Ų5865 Ų6527%0.26933%0.328SS..Hα-helixtrans-98.1-4.8-174.2-62.977.9000113.9L353 F359 F373 E380 A381L353-H377 HydrophobicContact CD2-CB 4.43Å; F359-H377 HydrophobicContact CE1-CB 4.01Å; F373-H377 AromaticContact CD2-CE1 3.51Å; F373-H377 AromaticContact CD2-ND1 3.39Å; F373-H377 WeakPolarHBondContact CD2-ND1 3.19Å; F373-H377 HydrophobicContact CE2-CB 4.5Å; F373-H377 AromaticContact CE2-CD2 3.98Å; F373-H377 AromaticContact CE2-CE1 3.53Å; F373-H377 AromaticContact CE2-CG 3.75Å; F373-H377 AromaticContact CE2-ND1 3.47Å; F373-H377 WeakPolarHBondContact CE2-ND1 3.39Å; F373-H377 AromaticContact CE2-NE2 3.82Å; F373-H377 HydrophobicContact CZ-CB 4.43Å; F373-H377 WeakPolarHBondContact O-CB 3.18Å; F373-H377 PolarHBondContact O-N 2.68Å; F373-H377 PolarHBondContact O-ND1 3.42Å; H377-E380 IonicContact CD2-OE2 3.18Å; H377-E380 PolarHBondContact O-N 2.97Å; H377-A381 WeakPolarHBondContact O-CB 3.1Å; H377-A381 PolarHBondContact O-N 2.76Å
378A88.3Confident86.7Confident12 Ų1271.9 Ų71.910%0.09935%0.353CS..Hα-helixtrans-52-47.8173.500000115.2L337 L340 L374 E380 A381 R382L337-A378 HydrophobicContact CD2-CB 3.67Å; L340-A378 HydrophobicContact CD1-CB 4.49Å; L374-A378 VanDerWaalsContact O-CB 3.26Å; L374-A378 WeakPolarHBondContact O-CB 3.35Å; L374-A378 PolarHBondContact O-N 3.17Å; A378-E380 VanDerWaalsContact C-N 3.34Å; A378-E380 PolarHBondContact O-N 3.45Å; A378-A381 PolarHBondContact O-N 2.75Å; A378-R382 WeakPolarHBondContact O-CG 3.4Å; A378-R382 PolarHBondContact O-N 3.36Å; A378-R382 VanDerWaalsContact O-N 3.1Å
379P89.1Confident85.6Confident79 Ų7973.1 Ų73.151%0.51336%0.356SS..Hα-helixtrans-66.6-36.5-179.825.2-33.7000112.4S383P379-S383 PolarHBondContact O-N 3.4Å; P379-S383 VanDerWaalsContact O-N 3.11Å; P379-S383 PolarHBondContact O-OG 3.49Å
380E90.5Very high83.9Confident80 Ų8076 Ų7637%0.37437%0.372SS..Hα-helixtrans-66.4-45.6176.5-173.9179.7-171.300111.3L353 H377 A378 R382 S383 R384L353-E380 HydrophobicContact CD2-CB 4.08Å; L353-E380 HydrophobicContact CD2-CG 3.8Å; H377-E380 IonicContact CD2-OE2 3.18Å; H377-E380 PolarHBondContact O-N 2.97Å; A378-E380 VanDerWaalsContact C-N 3.34Å; A378-E380 PolarHBondContact O-N 3.45Å; E380-R382 VanDerWaalsContact C-N 3.33Å; E380-R382 PolarHBondContact O-N 2.81Å; E380-S383 PolarHBondContact O-N 3.34Å; E380-S383 VanDerWaalsContact O-N 3.17Å; E380-R384 WeakPolarHBondContact O-CG 3.36Å; E380-R384 PolarHBondContact O-N 3.29Å; E380-R384 IonicContact OE1-CZ 2.67Å; E380-R384 VanDerWaalsContact OE1-CZ 3.29Å; E380-R384 IonicContact OE1-NE 3.41Å; E380-R384 PolarHBondContact OE1-NE 3.37Å; E380-R384 IonicContact OE1-NH2 2.63Å; E380-R384 PolarHBondContact OE1-NH2 3.25Å
381A89.3Confident83.7Confident0 Ų079.8 Ų79.80%039%0.39CS..Hα-helixtrans-56.4-47176.300000111.6L340 L353 F359 H377 A378 S383 R384 T385L340-A381 HydrophobicContact CD1-CB 4.04Å; L340-A381 HydrophobicContact CD2-CB 3.88Å; L353-A381 HydrophobicContact CD1-CB 3.65Å; L353-A381 HydrophobicContact CD2-CB 4.26Å; F359-A381 HydrophobicContact CE1-CB 4.16Å; F359-A381 HydrophobicContact CE2-CB 4.12Å; F359-A381 HydrophobicContact CZ-CB 3.65Å; H377-A381 WeakPolarHBondContact O-CB 3.1Å; H377-A381 PolarHBondContact O-N 2.76Å; A378-A381 PolarHBondContact O-N 2.75Å; A381-S383 VanDerWaalsContact C-N 3.33Å; A381-S383 PolarHBondContact O-N 3.13Å; A381-R384 PolarHBondContact O-N 3.36Å; A381-T385 PolarHBondContact O-N 3.28Å; A381-T385 PolarHBondContact O-OG1 3.17Å
382R90.1Very high83.5Confident125 Ų12582.6 Ų82.647%0.47240%0.404SS..Hα-helixtrans-60.6-41.5177.3-70.7178.1-174.3-156.32.4112.3S336 L340 A378 E380 T385 L386S336-R382 PolarHBondContact O-NH2 3.1Å; L340-R382 HydrophobicContact CD1-CG 4.13Å; L340-R382 HydrophobicContact CD2-CB 4.47Å; L340-R382 HydrophobicContact CD2-CG 3.74Å; L340-R382 HydrophobicContact CG-CG 4.19Å; A378-R382 WeakPolarHBondContact O-CG 3.4Å; A378-R382 PolarHBondContact O-N 3.36Å; A378-R382 VanDerWaalsContact O-N 3.1Å; E380-R382 VanDerWaalsContact C-N 3.33Å; E380-R382 PolarHBondContact O-N 2.81Å; R382-T385 PolarHBondContact O-N 3.45Å; R382-L386 WeakPolarHBondContact O-CB 3.36Å; R382-L386 PolarHBondContact O-N 3.41Å
383S88.3Confident83.3Confident67 Ų6781.2 Ų81.247%0.46940%0.395SS..Hα-helixtrans-63.7-44.4179.5-57.40000111.3P379 E380 A381 L386 Q387P379-S383 PolarHBondContact O-N 3.4Å; P379-S383 VanDerWaalsContact O-N 3.11Å; P379-S383 PolarHBondContact O-OG 3.49Å; E380-S383 PolarHBondContact O-N 3.34Å; E380-S383 VanDerWaalsContact O-N 3.17Å; A381-S383 VanDerWaalsContact C-N 3.33Å; A381-S383 PolarHBondContact O-N 3.13Å; S383-L386 PolarHBondContact O-N 2.63Å; S383-Q387 WeakPolarHBondContact O-CG 3.37Å; S383-Q387 PolarHBondContact O-N 3.22Å; S383-Q387 VanDerWaalsContact O-N 3.09Å
384R88.4Confident82.8Confident68 Ų6884.4 Ų84.426%0.25741%0.411SS..Hα-helixtrans-65-40.5176.5-67.5176.3-177.3-165-1.3112.3L353 H354 E380 A381 L386 Q387 R388L353-R384 PolarHBondContact O-NH1 2.97Å; H354-R384 PolarHBondContact O-NH1 3.04Å; E380-R384 WeakPolarHBondContact O-CG 3.36Å; E380-R384 PolarHBondContact O-N 3.29Å; E380-R384 IonicContact OE1-CZ 2.67Å; E380-R384 VanDerWaalsContact OE1-CZ 3.29Å; E380-R384 IonicContact OE1-NE 3.41Å; E380-R384 PolarHBondContact OE1-NE 3.37Å; E380-R384 IonicContact OE1-NH2 2.63Å; E380-R384 PolarHBondContact OE1-NH2 3.25Å; A381-R384 PolarHBondContact O-N 3.36Å; R384-L386 VanDerWaalsContact C-N 3.35Å; R384-Q387 PolarHBondContact O-N 2.74Å; R384-R388 PolarHBondContact O-N 3.2Å
385T84.9Confident82.4Confident28 Ų2889.5 Ų89.517%0.17244%0.436CS..Hα-helixtrans-64.3-40.3176.3-52.10000111.6A381 R382 R388 H389A381-T385 PolarHBondContact O-N 3.28Å; A381-T385 PolarHBondContact O-OG1 3.17Å; R382-T385 PolarHBondContact O-N 3.45Å; T385-R388 WeakPolarHBondContact O-CB 3.33Å; T385-R388 PolarHBondContact O-N 3.32Å; T385-H389 PolarHBondContact O-CD2 3.22Å
386L83.4Confident82.1Confident115 Ų11589.1 Ų89.160%0.60244%0.435SS*.Hα-helixtrans-65.4-42.1178.5-169.471.5000112.1R382 S383 R384 R388 H389 Q390R382-L386 WeakPolarHBondContact O-CB 3.36Å; R382-L386 PolarHBondContact O-N 3.41Å; S383-L386 PolarHBondContact O-N 2.63Å; R384-L386 VanDerWaalsContact C-N 3.35Å; L386-R388 PolarHBondContact O-N 3.07Å; L386-H389 PolarHBondContact O-N 2.99Å; L386-Q390 PolarHBondContact O-N 3.12Å
387Q77.8Confident81.5Confident138 Ų13890.4 Ų90.465%0.64543%0.431SS*.Hα-helixtrans-62.6-27.4176.6-75.9-178.9-15.600113.4S383 R384 H389S383-Q387 WeakPolarHBondContact O-CG 3.37Å; S383-Q387 PolarHBondContact O-N 3.22Å; S383-Q387 VanDerWaalsContact O-N 3.09Å; R384-Q387 PolarHBondContact O-N 2.74Å; Q387-H389 VanDerWaalsContact C-N 3.28Å; Q387-H389 PolarHBondContact O-N 3.39Å
388R68Low80.8Confident157 Ų15792.9 Ų92.959%0.59244%0.444SS*.Hα-helixtrans-69.8-25.9174.5-167.3-169.370.5152.7-1.5113R384 T385 L386R384-R388 PolarHBondContact O-N 3.2Å; T385-R388 WeakPolarHBondContact O-CB 3.33Å; T385-R388 PolarHBondContact O-N 3.32Å; L386-R388 PolarHBondContact O-N 3.07Å
389H60.4Low80.2Confident133 Ų13399.7 Ų99.762%0.61647%0.473SS*.THydrogen-bonded Turntrans-91.7-4.8-177.6-75-68.8000113.2T385 L386 Q387T385-H389 PolarHBondContact O-CD2 3.22Å; L386-H389 PolarHBondContact O-N 2.99Å; Q387-H389 VanDerWaalsContact C-N 3.28Å; Q387-H389 PolarHBondContact O-N 3.39Å
390Q51.8Low79.3Confident206 Ų206101.5 Ų101.596%0.96347%0.469SS*.  trans-94.90166.4-66.8-179.6-8.200109L386L386-Q390 PolarHBondContact O-N 3.12Å

Retrieved 390 of 390 residues in 413.6 ms (Link to these results)

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