A0A096MRG7_PAPAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB (Q9Y243), UniProt , Accession A0A096MRG7, Species PAPAN (Papio anubis, Olive baboon), Gene AKT3, Length 479 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
1M44.3Very low81.3Confident238 Ų23895.5 Ų95.5100%1.17251%0.511SS*.  0115.90-71165.7178.200105.4D3M1-D3 PolarHBondContact O-N 2.99Å
2S55.5Low82.2Confident109 Ų10987.8 Ų87.876%0.76247%0.469SS*.  trans-65.3125.2174.545.20000108.4V4S2-V4 PolarHBondContact O-N 3.42Å; S2-V4 VanDerWaalsContact O-N 3.14Å
3D70.2Confident82.9Confident142 Ų14284.7 Ų84.776%0.75945%0.45SS*.  trans-58.6117.6176.7-76.2-33000109.7M1 T5M1-D3 PolarHBondContact O-N 2.99Å; D3-T5 HydrophobicContact CB-CG2 4.41Å; D3-T5 PolarHBondContact O-N 2.85Å
4V80.1Confident83.2Confident73 Ų7379.4 Ų79.444%0.44242%0.421SS..  trans-76.393.7178.3-178.30000108.5S2 K30 T31 D32S2-V4 PolarHBondContact O-N 3.42Å; S2-V4 VanDerWaalsContact O-N 3.14Å; V4-K30 HydrophobicContact CG1-CB 3.84Å; V4-K30 HydrophobicContact CG1-CD 3.91Å; V4-K30 HydrophobicContact CG1-CG 4.36Å; V4-T31 WeakPolarHBondContact CA-OG1 2.98Å; V4-D32 HydrophobicContact CG1-CB 4.02Å; V4-D32 HydrophobicContact CG2-CB 4.12Å
5T88.9Confident83.2Confident79 Ų7978.6 Ų78.649%0.48541%0.41SS..  trans-92.6159.9176.960.60000112.7D3 K30 T31D3-T5 HydrophobicContact CB-CG2 4.41Å; D3-T5 PolarHBondContact O-N 2.85Å; T5-K30 CarbonylContact O-C 3.6Å; T5-K30 WeakPolarHBondContact O-CA 3.48Å; T5-T31 PolarHBondContact N-OG1 2.96Å; T5-T31 WeakPolarHBondContact O-CG2 3.46Å; T5-T31 PolarHBondContact O-N 2.82Å; T5-T31 PolarHBondContact O-OG1 3.15Å; T5-T31 VanDerWaalsContact O-OG1 3.13Å; T5-T31 WeakPolarHBondContact OG1-CG2 3.31Å
6I90.3Very high82.2Confident86 Ų8674.5 Ų74.544%0.44139%0.393SS..EExtended strand (participates in β ladder)trans-78.7129.2173.5-60.9170.2000108.8E9 L28I6-E9 HydrophobicContact CG2-CB 4.28Å; I6-L28 HydrophobicContact CD1-CD1 4.37Å; I6-L28 HydrophobicContact CD1-CD2 4.42Å
7V91.5Very high81.2Confident63 Ų6374.9 Ų74.938%0.38239%0.392SS..EExtended strand (participates in β ladder)trans-92.3-44177.51790000110.8L29 T31 A101 V105V7-L29 HydrophobicContact CB-CD2 4.23Å; V7-L29 HydrophobicContact CB-CG 4.21Å; V7-L29 HydrophobicContact CG1-CD2 4.19Å; V7-L29 PolarHBondContact N-O 3.43Å; V7-T31 HydrophobicContact CG2-CG2 3.46Å; V7-T31 VanDerWaalsContact CG2-CG2 3.46Å; V7-A101 HydrophobicContact CG1-CB 4.37Å; V7-V105 HydrophobicContact CB-CG2 4.29Å; V7-V105 HydrophobicContact CG1-CG2 4.07Å; V7-V105 HydrophobicContact CG2-CG2 3.83Å
8K93.1Very high79.9Confident39 Ų3975.4 Ų75.417%0.1739%0.389CS..EExtended strand (participates in β ladder)trans-151.2144.3177-173.3171175.465.80109.9L29 E97 W98 A101K8-L29 HydrophobicContact CB-CB 4.46Å; K8-L29 PolarHBondContact N-O 3.21Å; K8-L29 PolarHBondContact O-N 2.98Å; K8-E97 HydrophobicContact CD-CB 4.43Å; K8-E97 IonicContact NZ-OE2 3.09Å; K8-E97 PolarHBondContact NZ-OE2 3.09Å; K8-W98 HydrophobicContact CB-CE3 4.38Å; K8-W98 HydrophobicContact CB-CH2 4.36Å; K8-W98 HydrophobicContact CB-CZ3 3.92Å; K8-W98 HydrophobicContact CD-CD2 3.74Å; K8-W98 HydrophobicContact CD-CE3 3.65Å; K8-W98 HydrophobicContact CD-CG 4.23Å; K8-W98 HydrophobicContact CD-CH2 4.39Å; K8-W98 HydrophobicContact CD-CZ2 4.48Å; K8-W98 HydrophobicContact CD-CZ3 3.95Å; K8-W98 HydrophobicContact CG-CD2 4.35Å; K8-W98 HydrophobicContact CG-CE3 4.03Å; K8-W98 HydrophobicContact CG-CH2 3.94Å; K8-W98 HydrophobicContact CG-CZ2 4.27Å; K8-W98 HydrophobicContact CG-CZ3 3.77Å; K8-A101 HydrophobicContact CB-CB 4.17Å; K8-A101 HydrophobicContact CD-CB 4Å
9E94Very high78.5Confident79 Ų7972.2 Ų72.237%0.36937%0.372SS..EExtended strand (participates in β ladder)trans-134.515317159.6166.9-168.800111.6I6 Y26 F27 L28 K41I6-E9 HydrophobicContact CG2-CB 4.28Å; E9-Y26 HydrophobicContact CB-CE1 3.88Å; E9-Y26 HydrophobicContact CG-CE1 4.35Å; E9-Y26 WeakPolarHBondContact CG-OH 3.49Å; E9-Y26 PolarHBondContact OE1-OH 2.65Å; E9-Y26 WeakPolarHBondContact OE2-CE1 3.46Å; E9-Y26 PolarHBondContact OE2-OH 2.98Å; E9-F27 CarbonylContact C-O 3.48Å; E9-F27 WeakPolarHBondContact CA-O 3.43Å; E9-L28 HydrophobicContact CB-CD2 3.41Å; E9-L28 VanDerWaalsContact CB-CD2 3.41Å; E9-L28 HydrophobicContact CG-CD2 4.45Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.43Å; E9-K41 IonicContact OE1-NZ 2.87Å; E9-K41 PolarHBondContact OE1-NZ 3.18Å; E9-K41 IonicContact OE2-NZ 2.77Å
10G93.2Very high78.2Confident14 Ų1474.5 Ų74.514%0.14438%0.379CS..EExtended strand (participates in β ladder)trans164.2171.6178.500000114.3F27G10-F27 PolarHBondContact N-O 3.34Å; G10-F27 PolarHBondContact O-N 2.74Å
11W93Very high78Confident129 Ų12973.3 Ų73.349%0.48937%0.374SS..EExtended strand (participates in β ladder)trans-77.5135.2175.1-73.7101.9000111P24 R25 Y26 K39W11-P24 HydrophobicContact CE3-CB 3.96Å; W11-P24 HydrophobicContact CZ3-CB 4Å; W11-R25 WeakPolarHBondContact CA-O 3.3Å; W11-R25 VanDerWaalsContact CE3-C 3.41Å; W11-Y26 AromaticContact CD1-CD2 3.74Å; W11-Y26 AromaticContact CD1-CE2 3.99Å; W11-Y26 AromaticContact CD2-CD2 3.87Å; W11-Y26 HydrophobicContact CD2-CD2 3.87Å; W11-Y26 AromaticContact CE2-CD2 3.7Å; W11-Y26 AromaticContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CE2 4.48Å; W11-Y26 HydrophobicContact CZ2-CD2 4.31Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; W11-K39 WeakPolarHBondContact CH2-O 3.33Å
12V92.6Very high79.8Confident3 Ų364.4 Ų64.42%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-139.1139.2174.1-172.50000108.4K14 R25 F27 F72 F87 V89 W98V12-K14 PolarHBondContact O-N 3Å; V12-R25 PolarHBondContact N-O 3.27Å; V12-R25 PolarHBondContact O-N 3.18Å; V12-F27 HydrophobicContact CB-CD2 3.76Å; V12-F27 HydrophobicContact CB-CE2 4.22Å; V12-F27 HydrophobicContact CG2-CB 4.39Å; V12-F27 HydrophobicContact CG2-CD2 4.05Å; V12-F72 HydrophobicContact CG1-CE1 4.13Å; V12-F72 HydrophobicContact CG1-CZ 3.99Å; V12-F87 HydrophobicContact CG1-CB 3.69Å; V12-F87 HydrophobicContact CG1-CD1 3.82Å; V12-F87 HydrophobicContact CG1-CG 4.15Å; V12-V89 HydrophobicContact CB-CG1 4.41Å; V12-V89 HydrophobicContact CG1-CG1 4Å; V12-V89 HydrophobicContact CG2-CG1 4.18Å; V12-W98 HydrophobicContact CG2-CD2 4.28Å; V12-W98 HydrophobicContact CG2-CZ2 3.69Å
13Q91.2Very high81.1Confident47 Ų4760.3 Ų60.322%0.2230%0.295CS..EExtended strand (participates in β ladder)trans-81.3109.9170.2-65.4-73.3-26.700108.4W22 R23 F87 H88Q13-W22 HydrophobicContact CB-CE3 3.87Å; Q13-W22 HydrophobicContact CB-CZ3 4.49Å; Q13-W22 WeakPolarHBondContact O-CZ3 3.31Å; Q13-R23 CarbonylContact C-O 3.59Å; Q13-R23 WeakPolarHBondContact CA-O 3.41Å; Q13-R23 VanDerWaalsContact OE1-C 3.24Å; Q13-F87 CarbonylContact O-C 3.39Å; Q13-F87 VanDerWaalsContact O-CA 3.3Å; Q13-F87 WeakPolarHBondContact O-CA 3.48Å; Q13-H88 HydrophobicContact CB-CB 4.04Å; Q13-H88 WeakPolarHBondContact CB-O 3.3Å; Q13-H88 PolarHBondContact N-O 2.86Å; Q13-H88 PolarHBondContact O-N 3.18Å
14K87.4Confident81.9Confident10 Ų1056.5 Ų56.54%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-86.4133.5171.6-175.7-166.8171.6-154.40108.9V12 R23 R25 F27 N52 F54 F87 D320V12-K14 PolarHBondContact O-N 3Å; K14-R23 PolarHBondContact N-O 2.8Å; K14-R23 PolarHBondContact O-N 3.03Å; K14-R25 HydrophobicContact CB-CG 4.46Å; K14-F27 HydrophobicContact CB-CE2 4.33Å; K14-F27 HydrophobicContact CB-CZ 4.45Å; K14-F27 HydrophobicContact CD-CZ 4.49Å; K14-N52 PolarHBondContact NZ-ND2 2.86Å; K14-F54 HydrophobicContact CD-CZ 4.37Å; K14-F87 HydrophobicContact CB-CD1 4.15Å; K14-F87 HydrophobicContact CB-CE1 4.12Å; K14-F87 HydrophobicContact CG-CD1 4.24Å; K14-F87 HydrophobicContact CG-CE1 3.86Å; K14-D320 IonicContact NZ-OD2 2.84Å; K14-D320 PolarHBondContact NZ-OD2 3.38Å
15R83.3Confident82.3Confident68 Ų6854 Ų5426%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-81.6131.9167.8-160.4-176.7-175-168.34.8109.9N21 W22 T86R15-N21 CarbonylContact C-O 3.46Å; R15-N21 WeakPolarHBondContact CA-O 3.47Å; R15-W22 HydrophobicContact CB-CD2 4.27Å; R15-W22 HydrophobicContact CB-CE3 3.84Å; R15-W22 HydrophobicContact CB-CH2 4.19Å; R15-W22 HydrophobicContact CB-CZ3 3.76Å; R15-W22 HydrophobicContact CG-CD2 4.39Å; R15-W22 HydrophobicContact CG-CE3 4.45Å; R15-T86 HydrophobicContact CB-CG2 4.4Å; R15-T86 PolarHBondContact N-O 3.12Å
16G67.1Low82.3Confident13 Ų1351 Ų5113%0.13424%0.24CC..PPolyproline II helixtrans-65.5145.6169.300000111.4I19 N21G16-I19 CarbonylContact C-O 3.51Å; G16-I19 VanDerWaalsContact C-O 3.26Å; G16-I19 WeakPolarHBondContact CA-O 3.32Å; G16-N21 PolarHBondContact N-O 3.15Å
17E64.4Low82.4Confident81 Ų8146.9 Ų46.938%0.37922%0.219SC..SBendtrans-72.8-47.6-177.2-176.4164.9-151.300111.4R85E17-R85 IonicContact OE1-NH1 3.92Å; E17-R85 PolarHBondContact OE1-NH1 3.4Å; E17-R85 VanDerWaalsContact OE1-NH1 3.15Å; E17-R85 IonicContact OE2-CZ 2.85Å; E17-R85 IonicContact OE2-NH1 3.12Å; E17-R85 PolarHBondContact OE2-NH1 2.98Å; E17-R85 IonicContact OE2-NH2 3.87Å; E17-R85 PolarHBondContact OE2-NH2 3.31Å
18Y57.6Low82.4Confident84 Ų8444.4 Ų44.433%0.32920%0.204SC..SBendtrans-94-46.7-178.2-55.1-74.9000111.9F306Y18-F306 HydrophobicContact CD1-CD1 4.1Å; Y18-F306 HydrophobicContact CD1-CD2 4.4Å; Y18-F306 HydrophobicContact CD1-CE1 4.04Å; Y18-F306 HydrophobicContact CD1-CE2 4.31Å; Y18-F306 HydrophobicContact CD1-CG 4.29Å; Y18-F306 HydrophobicContact CD1-CZ 4.14Å; Y18-F306 HydrophobicContact CD2-CB 4.41Å; Y18-F306 HydrophobicContact CD2-CD1 4.46Å; Y18-F306 AromaticContact CD2-CD2 3.4Å; Y18-F306 HydrophobicContact CD2-CD2 3.4Å; Y18-F306 AromaticContact CD2-CE2 3.61Å; Y18-F306 HydrophobicContact CD2-CE2 3.61Å; Y18-F306 AromaticContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CZ 4.26Å; Y18-F306 HydrophobicContact CE1-CB 4.23Å; Y18-F306 AromaticContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD2 4.34Å; Y18-F306 HydrophobicContact CE1-CE1 4.11Å; Y18-F306 AromaticContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE2-CB 3.48Å; Y18-F306 VanDerWaalsContact CE2-CB 3.48Å; Y18-F306 HydrophobicContact CE2-CD1 4.13Å; Y18-F306 AromaticContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CE2 4.03Å; Y18-F306 AromaticContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CG-CD1 4.46Å; Y18-F306 AromaticContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CE1 4.32Å; Y18-F306 AromaticContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CG 4.29Å; Y18-F306 AromaticContact CG-CZ 3.98Å; Y18-F306 HydrophobicContact CG-CZ 3.98Å; Y18-F306 AromaticContact CZ-CD1 3.74Å; Y18-F306 AromaticContact CZ-CD2 3.85Å; Y18-F306 AromaticContact CZ-CG 3.38Å; Y18-F306 WeakPolarHBondContact OH-CB 3.19Å
19I54.7Low82.5Confident14 Ų1442.6 Ų42.67%0.07220%0.196CC..SBendtrans-93.1107.8169.5-48.2174.9000106.4G16 N21 L318 F355 L359G16-I19 CarbonylContact C-O 3.51Å; G16-I19 VanDerWaalsContact C-O 3.26Å; G16-I19 WeakPolarHBondContact CA-O 3.32Å; I19-N21 HydrophobicContact CG2-CB 3.99Å; I19-N21 PolarHBondContact O-N 2.66Å; I19-N21 PolarHBondContact O-OD1 3.33Å; I19-L318 HydrophobicContact CD1-CB 4.43Å; I19-F355 HydrophobicContact CD1-CB 3.44Å; I19-F355 VanDerWaalsContact CD1-CB 3.44Å; I19-F355 HydrophobicContact CD1-CG 4.43Å; I19-F355 HydrophobicContact CG1-CB 3.66Å; I19-F355 HydrophobicContact CG1-CD2 3.98Å; I19-F355 HydrophobicContact CG1-CG 4.27Å; I19-L359 HydrophobicContact CD1-CD1 3.28Å; I19-L359 HydrophobicContact CD1-CG 4.25Å
20K70.8Confident82.4Confident119 Ų11941.5 Ų41.552%0.51719%0.19SC..  trans-68.224.1-177-73.5168.6179.8162.80114.2
21N75.7Confident82.2Confident50 Ų5042 Ų4227%0.26719%0.19SC..  trans-77.1154.6175.867.9-1.5000111.7R15 G16 I19 R23R15-N21 CarbonylContact C-O 3.46Å; R15-N21 WeakPolarHBondContact CA-O 3.47Å; G16-N21 PolarHBondContact N-O 3.15Å; I19-N21 HydrophobicContact CG2-CB 3.99Å; I19-N21 PolarHBondContact O-N 2.66Å; I19-N21 PolarHBondContact O-OD1 3.33Å; N21-R23 PolarHBondContact OD1-NE 2.79Å; N21-R23 PolarHBondContact OD1-NH2 3.02Å; N21-R23 VanDerWaalsContact OD1-NH2 3.13Å
22W80.9Confident81.9Confident50 Ų5039 Ų3919%0.18918%0.184CC..EExtended strand (participates in β ladder)trans-98.8132.7176.8-67.999.1000109.6Q13 R15 P67 K68 T71 T86 H88Q13-W22 HydrophobicContact CB-CE3 3.87Å; Q13-W22 HydrophobicContact CB-CZ3 4.49Å; Q13-W22 WeakPolarHBondContact O-CZ3 3.31Å; R15-W22 HydrophobicContact CB-CD2 4.27Å; R15-W22 HydrophobicContact CB-CE3 3.84Å; R15-W22 HydrophobicContact CB-CH2 4.19Å; R15-W22 HydrophobicContact CB-CZ3 3.76Å; R15-W22 HydrophobicContact CG-CD2 4.39Å; R15-W22 HydrophobicContact CG-CE3 4.45Å; W22-P67 HydrophobicContact CZ2-CG 3.78Å; W22-K68 HydrophobicContact CD2-CD 4.35Å; W22-K68 HydrophobicContact CG-CD 4.38Å; W22-K68 HydrophobicContact CZ2-CB 4.02Å; W22-K68 HydrophobicContact CZ2-CD 4.2Å; W22-K68 HydrophobicContact CZ2-CG 3.99Å; W22-T71 HydrophobicContact CH2-CG2 4.38Å; W22-T86 HydrophobicContact CH2-CG2 3.85Å; W22-T86 HydrophobicContact CZ3-CG2 4.42Å; W22-H88 HydrophobicContact CE3-CB 3.97Å; W22-H88 HydrophobicContact CH2-CB 3.5Å; W22-H88 HydrophobicContact CZ2-CB 4.21Å; W22-H88 HydrophobicContact CZ3-CB 3.39Å
23R82.6Confident81.6Confident24 Ų2438.9 Ų38.99%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-127.7127.6-179.2-55.6-176-163.6-175.59.6110.1Q13 K14 N21 R25 E319Q13-R23 CarbonylContact C-O 3.59Å; Q13-R23 WeakPolarHBondContact CA-O 3.41Å; Q13-R23 VanDerWaalsContact OE1-C 3.24Å; K14-R23 PolarHBondContact N-O 2.8Å; K14-R23 PolarHBondContact O-N 3.03Å; N21-R23 PolarHBondContact OD1-NE 2.79Å; N21-R23 PolarHBondContact OD1-NH2 3.02Å; N21-R23 VanDerWaalsContact OD1-NH2 3.13Å; R23-R25 PolarHBondContact O-N 3.27Å; R23-E319 VanDerWaalsContact NH1-CG 3.26Å; R23-E319 IonicContact NH1-OE1 3.59Å; R23-E319 PolarHBondContact NH1-OE1 3.31Å
24P88Confident81.3Confident62 Ų6237.9 Ų37.940%0.40318%0.182SC..EExtended strand (participates in β ladder)trans-65.7132.8170.526-30.8000109.4W11W11-P24 HydrophobicContact CE3-CB 3.96Å; W11-P24 HydrophobicContact CZ3-CB 4Å
25R87.9Confident81.3Confident19 Ų1937.4 Ų37.47%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-138.4142.1172.7-66.6-66.4-178.9-103.88.5108.7W11 V12 K14 R23 F27 Y38 E319W11-R25 WeakPolarHBondContact CA-O 3.3Å; W11-R25 VanDerWaalsContact CE3-C 3.41Å; V12-R25 PolarHBondContact N-O 3.27Å; V12-R25 PolarHBondContact O-N 3.18Å; K14-R25 HydrophobicContact CB-CG 4.46Å; R23-R25 PolarHBondContact O-N 3.27Å; R25-F27 HydrophobicContact CB-CD2 3.86Å; R25-F27 HydrophobicContact CB-CE2 3.43Å; R25-F27 VanDerWaalsContact CB-CE2 3.43Å; R25-F27 HydrophobicContact CB-CZ 4.14Å; R25-F27 HydrophobicContact CG-CE2 4.24Å; R25-Y38 CarbonylContact C-O 3.6Å; R25-Y38 VanDerWaalsContact CA-O 3.29Å; R25-Y38 WeakPolarHBondContact CA-O 3.48Å; R25-Y38 WeakPolarHBondContact CD-O 3.5Å; R25-E319 IonicContact NH2-OE1 3.92Å
26Y89.6Confident81.5Confident16 Ų1634.8 Ų34.86%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-88.4110.8172-162.1-96.2000108.6E9 W11 L28 G37 Y38 K41E9-Y26 HydrophobicContact CB-CE1 3.88Å; E9-Y26 HydrophobicContact CG-CE1 4.35Å; E9-Y26 WeakPolarHBondContact CG-OH 3.49Å; E9-Y26 PolarHBondContact OE1-OH 2.65Å; E9-Y26 WeakPolarHBondContact OE2-CE1 3.46Å; E9-Y26 PolarHBondContact OE2-OH 2.98Å; W11-Y26 AromaticContact CD1-CD2 3.74Å; W11-Y26 AromaticContact CD1-CE2 3.99Å; W11-Y26 AromaticContact CD2-CD2 3.87Å; W11-Y26 HydrophobicContact CD2-CD2 3.87Å; W11-Y26 AromaticContact CE2-CD2 3.7Å; W11-Y26 AromaticContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CE2 4.48Å; W11-Y26 HydrophobicContact CZ2-CD2 4.31Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; Y26-L28 HydrophobicContact CD1-CD2 4.08Å; Y26-L28 HydrophobicContact CE1-CD2 3.81Å; Y26-G37 WeakPolarHBondContact O-CA 3.29Å; Y26-Y38 PolarHBondContact N-O 2.63Å; Y26-Y38 PolarHBondContact O-N 2.95Å; Y26-K41 HydrophobicContact CD1-CB 4.01Å; Y26-K41 HydrophobicContact CD1-CG 3.92Å; Y26-K41 HydrophobicContact CD2-CB 4.09Å; Y26-K41 HydrophobicContact CD2-CG 4.49Å; Y26-K41 HydrophobicContact CE1-CB 4.15Å; Y26-K41 HydrophobicContact CE1-CD 3.86Å; Y26-K41 HydrophobicContact CE1-CG 3.6Å; Y26-K41 HydrophobicContact CE2-CB 4.25Å; Y26-K41 HydrophobicContact CE2-CD 4.01Å; Y26-K41 HydrophobicContact CE2-CG 4.25Å; Y26-K41 HydrophobicContact CG-CB 3.97Å; Y26-K41 HydrophobicContact CG-CG 4.34Å; Y26-K41 WeakPolarHBondContact OH-CE 3.34Å; Y26-K41 PolarHBondContact OH-NZ 2.6Å
27F92.5Very high82.3Confident0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-97142.1-177.3-83-86.6000111.9E9 G10 V12 K14 R25 F35 I36 G37 N52 F54 F87 W98E9-F27 CarbonylContact C-O 3.48Å; E9-F27 WeakPolarHBondContact CA-O 3.43Å; G10-F27 PolarHBondContact N-O 3.34Å; G10-F27 PolarHBondContact O-N 2.74Å; V12-F27 HydrophobicContact CB-CD2 3.76Å; V12-F27 HydrophobicContact CB-CE2 4.22Å; V12-F27 HydrophobicContact CG2-CB 4.39Å; V12-F27 HydrophobicContact CG2-CD2 4.05Å; K14-F27 HydrophobicContact CB-CE2 4.33Å; K14-F27 HydrophobicContact CB-CZ 4.45Å; K14-F27 HydrophobicContact CD-CZ 4.49Å; R25-F27 HydrophobicContact CB-CD2 3.86Å; R25-F27 HydrophobicContact CB-CE2 3.43Å; R25-F27 VanDerWaalsContact CB-CE2 3.43Å; R25-F27 HydrophobicContact CB-CZ 4.14Å; R25-F27 HydrophobicContact CG-CE2 4.24Å; F27-F35 HydrophobicContact CB-CE2 3.7Å; F27-F35 HydrophobicContact CB-CZ 3.83Å; F27-F35 AromaticContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD2 4.17Å; F27-F35 AromaticContact CD1-CE1 3.62Å; F27-F35 HydrophobicContact CD1-CE1 3.62Å; F27-F35 AromaticContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CG 4.22Å; F27-F35 AromaticContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD2-CZ 4.43Å; F27-F35 HydrophobicContact CE1-CD1 4.13Å; F27-F35 AromaticContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CZ 4.24Å; F27-F35 HydrophobicContact CG-CE1 4.15Å; F27-F35 AromaticContact CG-CE2 4Å; F27-F35 HydrophobicContact CG-CE2 4Å; F27-F35 AromaticContact CG-CZ 3.68Å; F27-F35 HydrophobicContact CG-CZ 3.68Å; F27-I36 CarbonylContact C-O 3.57Å; F27-I36 VanDerWaalsContact CA-O 3.25Å; F27-I36 WeakPolarHBondContact CA-O 3.49Å; F27-G37 VanDerWaalsContact CD1-CA 3.45Å; F27-G37 VanDerWaalsContact CE1-CA 3.43Å; F27-N52 HydrophobicContact CE1-CB 4.22Å; F27-N52 HydrophobicContact CZ-CB 4.34Å; F27-F54 HydrophobicContact CE1-CD2 4.15Å; F27-F54 AromaticContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CZ-CE2 4.1Å; F27-F87 HydrophobicContact CE1-CE1 4.23Å; F27-F87 HydrophobicContact CE2-CD1 4.28Å; F27-F87 AromaticContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CZ-CD1 4.42Å; F27-F87 AromaticContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CZ 4.49Å; F27-W98 HydrophobicContact CB-CH2 3.96Å; F27-W98 HydrophobicContact CB-CZ2 4.38Å
28L91.6Very high83.1Confident12 Ų1230.8 Ų30.86%0.06315%0.148CC..EExtended strand (participates in β ladder)trans-116.4117.6168.5-53.9-176.8000108I6 E9 Y26 I36 Y38 P42I6-L28 HydrophobicContact CD1-CD1 4.37Å; I6-L28 HydrophobicContact CD1-CD2 4.42Å; E9-L28 HydrophobicContact CB-CD2 3.41Å; E9-L28 VanDerWaalsContact CB-CD2 3.41Å; E9-L28 HydrophobicContact CG-CD2 4.45Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.43Å; Y26-L28 HydrophobicContact CD1-CD2 4.08Å; Y26-L28 HydrophobicContact CE1-CD2 3.81Å; L28-I36 PolarHBondContact N-O 2.81Å; L28-I36 PolarHBondContact O-N 3.28Å; L28-Y38 HydrophobicContact CD1-CD2 4.36Å; L28-Y38 HydrophobicContact CD1-CE2 3.59Å; L28-Y38 HydrophobicContact CG-CD2 4.28Å; L28-Y38 HydrophobicContact CG-CE2 3.85Å; L28-P42 HydrophobicContact CD1-CG 4.35Å
29L93.3Very high84Confident0 Ų033.6 Ų33.60%016%0.162CC..EExtended strand (participates in β ladder)trans-91.5122.5165.5177.566000108.5V7 K8 F35 V56 W98 A101 I102 V105V7-L29 HydrophobicContact CB-CD2 4.23Å; V7-L29 HydrophobicContact CB-CG 4.21Å; V7-L29 HydrophobicContact CG1-CD2 4.19Å; V7-L29 PolarHBondContact N-O 3.43Å; K8-L29 HydrophobicContact CB-CB 4.46Å; K8-L29 PolarHBondContact N-O 3.21Å; K8-L29 PolarHBondContact O-N 2.98Å; L29-F35 HydrophobicContact CB-CD2 3.93Å; L29-F35 HydrophobicContact CB-CE2 4.33Å; L29-F35 HydrophobicContact CD1-CB 4.3Å; L29-F35 HydrophobicContact CD1-CD2 4.04Å; L29-V56 HydrophobicContact CD1-CG2 3.8Å; L29-W98 HydrophobicContact CB-CZ3 4.08Å; L29-A101 HydrophobicContact CD2-CB 3.83Å; L29-I102 HydrophobicContact CD1-CG1 4.4Å; L29-I102 HydrophobicContact CD2-CG1 3.94Å; L29-V105 HydrophobicContact CD1-CG2 4.49Å; L29-V105 HydrophobicContact CD2-CG2 3.98Å; L29-V105 HydrophobicContact CG-CG2 4.24Å
30K92Very high85.1Confident57 Ų5739.3 Ų39.325%0.24819%0.188CC..EExtended strand (participates in β ladder)trans-106.5160.9179.1-66.5-174.3177.7-171.30111.8V4 T5 D32 G33 S34 I36V4-K30 HydrophobicContact CG1-CB 3.84Å; V4-K30 HydrophobicContact CG1-CD 3.91Å; V4-K30 HydrophobicContact CG1-CG 4.36Å; T5-K30 CarbonylContact O-C 3.6Å; T5-K30 WeakPolarHBondContact O-CA 3.48Å; K30-D32 VanDerWaalsContact C-N 3.26Å; K30-D32 WeakPolarHBondContact CB-OD1 3.38Å; K30-D32 PolarHBondContact O-N 3.2Å; K30-G33 PolarHBondContact O-N 3.1Å; K30-G33 VanDerWaalsContact O-N 3.11Å; K30-S34 PolarHBondContact N-O 3.01Å; K30-I36 HydrophobicContact CD-CD1 4.1Å
31T89Confident85.6Confident23 Ų2338.2 Ų38.214%0.14118%0.183CC..THydrogen-bonded Turntrans-66.3-23.3-17642.10000114.7V4 T5 V7 G33 R108V4-T31 WeakPolarHBondContact CA-OG1 2.98Å; T5-T31 PolarHBondContact N-OG1 2.96Å; T5-T31 WeakPolarHBondContact O-CG2 3.46Å; T5-T31 PolarHBondContact O-N 2.82Å; T5-T31 PolarHBondContact O-OG1 3.15Å; T5-T31 VanDerWaalsContact O-OG1 3.13Å; T5-T31 WeakPolarHBondContact OG1-CG2 3.31Å; V7-T31 HydrophobicContact CG2-CG2 3.46Å; V7-T31 VanDerWaalsContact CG2-CG2 3.46Å; T31-G33 PolarHBondContact O-N 3.23Å; T31-R108 VanDerWaalsContact C-NH2 3.29Å; T31-R108 VanDerWaalsContact CG2-NH2 3.33Å; T31-R108 PolarHBondContact O-NH2 3.39Å
32D87.5Confident85.4Confident68 Ų6837.1 Ų37.136%0.36418%0.179SC..THydrogen-bonded Turntrans-78.7-0.4174.466.1-16.8000113.6V4 K30 S34 L109V4-D32 HydrophobicContact CG1-CB 4.02Å; V4-D32 HydrophobicContact CG2-CB 4.12Å; K30-D32 VanDerWaalsContact C-N 3.26Å; K30-D32 WeakPolarHBondContact CB-OD1 3.38Å; K30-D32 PolarHBondContact O-N 3.2Å; D32-S34 VanDerWaalsContact CG-OG 3.22Å; D32-S34 WeakPolarHBondContact OD1-CB 3.28Å; D32-S34 PolarHBondContact OD1-N 3.24Å; D32-S34 PolarHBondContact OD1-OG 2.93Å; D32-S34 VanDerWaalsContact OD1-OG 3.09Å; D32-S34 PolarHBondContact OD2-OG 3.34Å; D32-L109 WeakPolarHBondContact O-CD1 3.4Å
33G85.5Confident85Confident0 Ų042.3 Ų42.30%021%0.205CC..SBendtrans88.24.1-176.100000113.8K30 T31 F35 S55 V56K30-G33 PolarHBondContact O-N 3.1Å; K30-G33 VanDerWaalsContact O-N 3.11Å; T31-G33 PolarHBondContact O-N 3.23Å; G33-F35 PolarHBondContact O-N 2.84Å; G33-S55 CarbonylContact O-C 3.26Å; G33-S55 WeakPolarHBondContact O-CA 3.22Å; G33-V56 WeakPolarHBondContact O-CG2 3.43Å; G33-V56 PolarHBondContact O-N 3.12Å
34S85.7Confident83.9Confident26 Ų2649.6 Ų49.618%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-70.1123172.5-61.40000110K30 D32K30-S34 PolarHBondContact N-O 3.01Å; D32-S34 VanDerWaalsContact CG-OG 3.22Å; D32-S34 WeakPolarHBondContact OD1-CB 3.28Å; D32-S34 PolarHBondContact OD1-N 3.24Å; D32-S34 PolarHBondContact OD1-OG 2.93Å; D32-S34 VanDerWaalsContact OD1-OG 3.09Å; D32-S34 PolarHBondContact OD2-OG 3.34Å
35F88.6Confident81.9Confident0 Ų052.7 Ų52.70%026%0.263CS..EExtended strand (participates in β ladder)trans-115.999.7174.8-171.7-126.3000109F27 L29 G33 F54 V56 I74 F87 W98 I102F27-F35 HydrophobicContact CB-CE2 3.7Å; F27-F35 HydrophobicContact CB-CZ 3.83Å; F27-F35 AromaticContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD2 4.17Å; F27-F35 AromaticContact CD1-CE1 3.62Å; F27-F35 HydrophobicContact CD1-CE1 3.62Å; F27-F35 AromaticContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CG 4.22Å; F27-F35 AromaticContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD2-CZ 4.43Å; F27-F35 HydrophobicContact CE1-CD1 4.13Å; F27-F35 AromaticContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CZ 4.24Å; F27-F35 HydrophobicContact CG-CE1 4.15Å; F27-F35 AromaticContact CG-CE2 4Å; F27-F35 HydrophobicContact CG-CE2 4Å; F27-F35 AromaticContact CG-CZ 3.68Å; F27-F35 HydrophobicContact CG-CZ 3.68Å; L29-F35 HydrophobicContact CB-CD2 3.93Å; L29-F35 HydrophobicContact CB-CE2 4.33Å; L29-F35 HydrophobicContact CD1-CB 4.3Å; L29-F35 HydrophobicContact CD1-CD2 4.04Å; G33-F35 PolarHBondContact O-N 2.84Å; F35-F54 HydrophobicContact CB-CB 4.37Å; F35-F54 AromaticContact CD1-CD2 3.92Å; F35-F54 HydrophobicContact CD1-CD2 3.92Å; F35-F54 PolarHBondContact N-O 3.13Å; F35-F54 WeakPolarHBondContact O-CD2 3.28Å; F35-F54 PolarHBondContact O-N 3.44Å; F35-V56 HydrophobicContact CB-CG1 3.79Å; F35-V56 HydrophobicContact CG-CG1 4.3Å; F35-I74 HydrophobicContact CD1-CD1 3.86Å; F35-I74 HydrophobicContact CE1-CD1 3.72Å; F35-F87 HydrophobicContact CD1-CZ 4.41Å; F35-F87 HydrophobicContact CE1-CE1 4.01Å; F35-F87 HydrophobicContact CE1-CE2 4.28Å; F35-F87 AromaticContact CE1-CZ 3.81Å; F35-F87 HydrophobicContact CE1-CZ 3.81Å; F35-W98 HydrophobicContact CD2-CZ3 4.48Å; F35-W98 AromaticContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CH2 4.13Å; F35-W98 AromaticContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CZ-CE3 4.38Å; F35-W98 HydrophobicContact CZ-CZ3 4.27Å; F35-I102 HydrophobicContact CZ-CD1 4.42Å
36I86.3Confident80Confident12 Ų1258.2 Ų58.26%0.06229%0.294CS..EExtended strand (participates in β ladder)trans-115.7122.6-161.8-47.7179.3000110F27 L28 K30 Y38 P50 N52F27-I36 CarbonylContact C-O 3.57Å; F27-I36 VanDerWaalsContact CA-O 3.25Å; F27-I36 WeakPolarHBondContact CA-O 3.49Å; L28-I36 PolarHBondContact N-O 2.81Å; L28-I36 PolarHBondContact O-N 3.28Å; K30-I36 HydrophobicContact CD-CD1 4.1Å; I36-Y38 HydrophobicContact CB-CE2 4.07Å; I36-Y38 HydrophobicContact CG2-CD2 4.41Å; I36-Y38 HydrophobicContact CG2-CE1 4.47Å; I36-Y38 HydrophobicContact CG2-CE2 3.57Å; I36-P50 HydrophobicContact CG2-CB 3.26Å; I36-P50 HydrophobicContact CG2-CG 4.23Å; I36-N52 CarbonylContact C-O 3.23Å; I36-N52 VanDerWaalsContact CA-O 3.23Å; I36-N52 WeakPolarHBondContact CA-O 3.45Å; I36-N52 WeakPolarHBondContact CG2-O 3.24Å
37G85.1Confident78.1Confident0 Ų064.4 Ų64.40%033%0.328CS..EExtended strand (participates in β ladder)trans-106.6134-179.900000112.9Y26 F27 L51 N52Y26-G37 WeakPolarHBondContact O-CA 3.29Å; F27-G37 VanDerWaalsContact CD1-CA 3.45Å; F27-G37 VanDerWaalsContact CE1-CA 3.43Å; G37-L51 PolarHBondContact O-N 3.33Å; G37-N52 PolarHBondContact N-O 3.43Å; G37-N52 PolarHBondContact O-N 2.77Å
38Y80.9Confident76.2Confident11 Ų1167 Ų674%0.04335%0.345CS..EExtended strand (participates in β ladder)trans-117.2157178.1-59.7-93.9000110.8R25 Y26 L28 I36 E40 P42 P48 P50R25-Y38 CarbonylContact C-O 3.6Å; R25-Y38 VanDerWaalsContact CA-O 3.29Å; R25-Y38 WeakPolarHBondContact CA-O 3.48Å; R25-Y38 WeakPolarHBondContact CD-O 3.5Å; Y26-Y38 PolarHBondContact N-O 2.63Å; Y26-Y38 PolarHBondContact O-N 2.95Å; L28-Y38 HydrophobicContact CD1-CD2 4.36Å; L28-Y38 HydrophobicContact CD1-CE2 3.59Å; L28-Y38 HydrophobicContact CG-CD2 4.28Å; L28-Y38 HydrophobicContact CG-CE2 3.85Å; I36-Y38 HydrophobicContact CB-CE2 4.07Å; I36-Y38 HydrophobicContact CG2-CD2 4.41Å; I36-Y38 HydrophobicContact CG2-CE1 4.47Å; I36-Y38 HydrophobicContact CG2-CE2 3.57Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 WeakPolarHBondContact CB-O 3.37Å; Y38-P42 HydrophobicContact CD1-CG 3.78Å; Y38-P42 HydrophobicContact CD2-CG 3.54Å; Y38-P42 HydrophobicContact CE1-CG 3.98Å; Y38-P42 HydrophobicContact CE2-CG 3.78Å; Y38-P42 HydrophobicContact CG-CG 3.55Å; Y38-P48 HydrophobicContact CD1-CB 4.48Å; Y38-P48 WeakPolarHBondContact CD1-O 3.25Å; Y38-P48 WeakPolarHBondContact CE1-O 3.28Å; Y38-P50 HydrophobicContact CD1-CB 4.32Å; Y38-P50 HydrophobicContact CE1-CB 3.76Å
39K76.4Confident74.7Confident142 Ų14275.5 Ų75.562%0.61738%0.377SS*.SBendtrans-66.2-38.4173.8-164.6176.2177.51790111.8W11 L51W11-K39 WeakPolarHBondContact CH2-O 3.33Å; K39-L51 HydrophobicContact CB-CD1 3.72Å; K39-L51 HydrophobicContact CG-CD1 4.35Å
40E77.1Confident73.2Confident134 Ų13477.6 Ų77.663%0.62639%0.391SS*.SBendtrans-133.7159.6-178.8-65-179.6-171.800108.9Y38 P42Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 WeakPolarHBondContact CB-O 3.37Å; E40-P42 VanDerWaalsContact O-CD 3.31Å; E40-P42 WeakPolarHBondContact O-CD 3.46Å
41K80.9Confident71.8Confident97 Ų9776.6 Ų76.642%0.42239%0.388SS..PPolyproline II helixtrans-60.7120.7176.5178.9167.4-172.4160.20109E9 Y26 Q43E9-K41 IonicContact OE1-NZ 2.87Å; E9-K41 PolarHBondContact OE1-NZ 3.18Å; E9-K41 IonicContact OE2-NZ 2.77Å; Y26-K41 HydrophobicContact CD1-CB 4.01Å; Y26-K41 HydrophobicContact CD1-CG 3.92Å; Y26-K41 HydrophobicContact CD2-CB 4.09Å; Y26-K41 HydrophobicContact CD2-CG 4.49Å; Y26-K41 HydrophobicContact CE1-CB 4.15Å; Y26-K41 HydrophobicContact CE1-CD 3.86Å; Y26-K41 HydrophobicContact CE1-CG 3.6Å; Y26-K41 HydrophobicContact CE2-CB 4.25Å; Y26-K41 HydrophobicContact CE2-CD 4.01Å; Y26-K41 HydrophobicContact CE2-CG 4.25Å; Y26-K41 HydrophobicContact CG-CB 3.97Å; Y26-K41 HydrophobicContact CG-CG 4.34Å; Y26-K41 WeakPolarHBondContact OH-CE 3.34Å; Y26-K41 PolarHBondContact OH-NZ 2.6Å; K41-Q43 PolarHBondContact O-N 3.43Å
42P72.9Confident70.8Confident26 Ų2675.7 Ų75.717%0.16938%0.382CS..PPolyproline II helixtrans-58.7128.4176.6-22.433.7000110.1L28 Y38 E40L28-P42 HydrophobicContact CD1-CG 4.35Å; Y38-P42 HydrophobicContact CD1-CG 3.78Å; Y38-P42 HydrophobicContact CD2-CG 3.54Å; Y38-P42 HydrophobicContact CE1-CG 3.98Å; Y38-P42 HydrophobicContact CE2-CG 3.78Å; Y38-P42 HydrophobicContact CG-CG 3.55Å; E40-P42 VanDerWaalsContact O-CD 3.31Å; E40-P42 WeakPolarHBondContact O-CD 3.46Å
43Q70.9Confident70.2Confident160 Ų16075.2 Ų75.275%0.74838%0.38SS*.PPolyproline II helixtrans-93.6148.6166.8-63-174.617.400108.3K41 V45 D46K41-Q43 PolarHBondContact O-N 3.43Å; Q43-V45 PolarHBondContact O-N 3.28Å; Q43-D46 PolarHBondContact O-N 2.9Å
44D59.4Low69.9Low177 Ų17776.8 Ų76.895%0.94739%0.387SS*.THydrogen-bonded Turntrans-54.8-15.4-171.9-93.2-30.1000115.6
45V47.3Very low69.6Low126 Ų12679 Ų7976%0.76440%0.402SS*.THydrogen-bonded Turntrans-103.5-22.3-165.7-169.10000113.9Q43Q43-V45 PolarHBondContact O-N 3.28Å
46D46.8Very low69.3Low136 Ų13679 Ų7973%0.72740%0.402SS*.SBendtrans-14296.3177.5-79-45.9000108.5Q43 P48Q43-D46 PolarHBondContact O-N 2.9Å; D46-P48 WeakPolarHBondContact O-CD 3.42Å
47L49.9Very low69Low145 Ų14579.6 Ų79.676%0.75941%0.409SS*.  trans-62.1105.3176.2-79155.7000108.9
48P53.5Low68.8Low56 Ų5685.8 Ų85.836%0.36444%0.436SS..PPolyproline II helixtrans-65.8141.7173.4-825.9000107.3Y38 D46Y38-P48 HydrophobicContact CD1-CB 4.48Å; Y38-P48 WeakPolarHBondContact CD1-O 3.25Å; Y38-P48 WeakPolarHBondContact CE1-O 3.28Å; D46-P48 WeakPolarHBondContact O-CD 3.42Å
49Y59.5Low68.9Low189 Ų18986.1 Ų86.174%0.74144%0.44SS*.PPolyproline II helixtrans-54.2126.8176.2-72.1-84.4000109.9L51Y49-L51 PolarHBondContact O-N 3.36Å
50P62.4Low69.4Low45 Ų4584.3 Ų84.329%0.29243%0.434SS..PPolyproline II helixtrans-63.3124.1179.425.4-32.9000109.5I36 Y38 N52I36-P50 HydrophobicContact CG2-CB 3.26Å; I36-P50 HydrophobicContact CG2-CG 4.23Å; Y38-P50 HydrophobicContact CD1-CB 4.32Å; Y38-P50 HydrophobicContact CE1-CB 3.76Å; P50-N52 VanDerWaalsContact C-N 3.33Å
51L62.5Low70Confident35 Ų3579.4 Ų79.418%0.18341%0.412CS..SBendtrans-75.1-30177.9-69.6-175.3000111.5G37 K39 Y49 N321G37-L51 PolarHBondContact O-N 3.33Å; K39-L51 HydrophobicContact CB-CD1 3.72Å; K39-L51 HydrophobicContact CG-CD1 4.35Å; Y49-L51 PolarHBondContact O-N 3.36Å; L51-N321 WeakPolarHBondContact CB-OD1 3.04Å; L51-N321 WeakPolarHBondContact O-CA 3.35Å; L51-N321 PolarHBondContact O-OD1 3.38Å
52N67Low70.4Confident4 Ų478.3 Ų78.32%0.02141%0.409CS..EExtended strand (participates in β ladder)trans-131.8131.5179.8-57.6124000108.9K14 F27 I36 G37 P50 F54 D320K14-N52 PolarHBondContact NZ-ND2 2.86Å; F27-N52 HydrophobicContact CE1-CB 4.22Å; F27-N52 HydrophobicContact CZ-CB 4.34Å; I36-N52 CarbonylContact C-O 3.23Å; I36-N52 VanDerWaalsContact CA-O 3.23Å; I36-N52 WeakPolarHBondContact CA-O 3.45Å; I36-N52 WeakPolarHBondContact CG2-O 3.24Å; G37-N52 PolarHBondContact N-O 3.43Å; G37-N52 PolarHBondContact O-N 2.77Å; P50-N52 VanDerWaalsContact C-N 3.33Å; N52-F54 HydrophobicContact CB-CE1 4.47Å; N52-F54 HydrophobicContact CB-CE2 3.65Å; N52-F54 HydrophobicContact CB-CZ 3.62Å; N52-D320 PolarHBondContact ND2-O 3.27Å
53N75.6Confident71.3Confident59 Ų5981.7 Ų81.732%0.31642%0.421SS..EExtended strand (participates in β ladder)trans-140107.9176.3-175.7-2.3000108.8K304N53-K304 PolarHBondContact O-NZ 2.83Å
54F78.5Confident72.3Confident33 Ų3376 Ų7615%0.14540%0.397CS..EExtended strand (participates in β ladder)trans-117.7156-177.8-45.7-63.7000110.4K14 F27 F35 N52 R85 F87K14-F54 HydrophobicContact CD-CZ 4.37Å; F27-F54 HydrophobicContact CE1-CD2 4.15Å; F27-F54 AromaticContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CZ-CE2 4.1Å; F35-F54 HydrophobicContact CB-CB 4.37Å; F35-F54 AromaticContact CD1-CD2 3.92Å; F35-F54 HydrophobicContact CD1-CD2 3.92Å; F35-F54 PolarHBondContact N-O 3.13Å; F35-F54 WeakPolarHBondContact O-CD2 3.28Å; F35-F54 PolarHBondContact O-N 3.44Å; N52-F54 HydrophobicContact CB-CE1 4.47Å; N52-F54 HydrophobicContact CB-CE2 3.65Å; N52-F54 HydrophobicContact CB-CZ 3.62Å; F54-R85 HydrophobicContact CE1-CG 4.31Å; F54-F87 HydrophobicContact CD2-CZ 4.47Å; F54-F87 HydrophobicContact CE2-CE1 4.46Å; F54-F87 HydrophobicContact CE2-CZ 4.06Å
55S80.7Confident73.8Confident71 Ų7172.3 Ų72.350%0.49737%0.374SS..EExtended strand (participates in β ladder)trans-105.6131.6165.2-177.60000109.8G33 A57 C76G33-S55 CarbonylContact O-C 3.26Å; G33-S55 WeakPolarHBondContact O-CA 3.22Å; S55-A57 PolarHBondContact OG-N 2.71Å; S55-C76 PolarHBondContact O-SG 2.74Å
56V82.6Confident75.6Confident0 Ų076.1 Ų76.10%038%0.375CS..  trans-1007.3174.4-60.20000112.9L29 G33 F35 K58 C59 I74 I102 V105 A106L29-V56 HydrophobicContact CD1-CG2 3.8Å; G33-V56 WeakPolarHBondContact O-CG2 3.43Å; G33-V56 PolarHBondContact O-N 3.12Å; F35-V56 HydrophobicContact CB-CG1 3.79Å; F35-V56 HydrophobicContact CG-CG1 4.3Å; V56-K58 PolarHBondContact O-N 2.91Å; V56-C59 HydrophobicContact CB-CB 4.41Å; V56-C59 PolarHBondContact O-N 3.13Å; V56-C59 PolarHBondContact O-SG 2.67Å; V56-I74 HydrophobicContact CG1-CD1 4.39Å; V56-I74 HydrophobicContact CG1-CG2 4.37Å; V56-I102 HydrophobicContact CB-CG2 3.84Å; V56-I102 HydrophobicContact CG1-CG2 3.86Å; V56-I102 HydrophobicContact CG2-CG2 4.16Å; V56-V105 HydrophobicContact CG2-CG1 4.15Å; V56-A106 WeakPolarHBondContact O-CB 3.48Å
57A79.5Confident77.3Confident26 Ų2672.7 Ų72.722%0.21536%0.36CS..THydrogen-bonded Turntrans-59.1-33.3-174.300000113.9S55 L109S55-A57 PolarHBondContact OG-N 2.71Å; A57-L109 HydrophobicContact CB-CB 4.35Å; A57-L109 HydrophobicContact CB-CD1 3.72Å
58K79.9Confident79.1Confident129 Ų12969.7 Ų69.756%0.56134%0.341SS*.THydrogen-bonded Turntrans-129.858178.5-61.9-174.9-176.8-176.70110V56 E113V56-K58 PolarHBondContact O-N 2.91Å; K58-E113 WeakPolarHBondContact CE-OE2 3.23Å; K58-E113 VanDerWaalsContact NZ-CD 3.32Å; K58-E113 IonicContact NZ-OE1 2.73Å; K58-E113 PolarHBondContact NZ-OE1 3.43Å; K58-E113 IonicContact NZ-OE2 3.15Å; K58-E113 PolarHBondContact NZ-OE2 3.2Å
59C84.1Confident80.8Confident18 Ų1870.8 Ų70.812%0.12235%0.348CS..EExtended strand (participates in β ladder)trans-107.5148.8-179.378.50000113V56 I74 R75 C76V56-C59 HydrophobicContact CB-CB 4.41Å; V56-C59 PolarHBondContact O-N 3.13Å; V56-C59 PolarHBondContact O-SG 2.67Å; C59-I74 HydrophobicContact CB-CG2 3.63Å; C59-R75 CarbonylContact C-O 3.36Å; C59-R75 VanDerWaalsContact CA-O 3.27Å; C59-R75 WeakPolarHBondContact CA-O 3.5Å; C59-C76 WeakPolarHBondContact CB-SG 3.3Å
60Q86.3Confident82.4Confident105 Ų10562.7 Ų62.749%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-106.1127.4164.6-178.7179.732.200108.5R75Q60-R75 HydrophobicContact CB-CB 4.31Å; Q60-R75 PolarHBondContact N-O 3.41Å; Q60-R75 PolarHBondContact O-N 2.89Å
61L89.1Confident84Confident31 Ų3160.6 Ų60.616%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-94.6137.8175.8-73.4167000111.1I73 I74 T99 I102 Q103L61-I73 WeakPolarHBondContact CA-O 3.27Å; L61-I74 HydrophobicContact CD2-CB 4.41Å; L61-I74 HydrophobicContact CD2-CG1 3.75Å; L61-T99 WeakPolarHBondContact CD1-O 3.47Å; L61-T99 HydrophobicContact CD2-CG2 4.49Å; L61-I102 HydrophobicContact CD1-CB 3.96Å; L61-I102 HydrophobicContact CD1-CG2 3.85Å; L61-I102 HydrophobicContact CD2-CB 4.47Å; L61-I102 HydrophobicContact CD2-CD1 4.43Å; L61-I102 HydrophobicContact CD2-CG2 4.04Å; L61-I102 HydrophobicContact CG-CG2 4.22Å; L61-Q103 HydrophobicContact CD1-CB 3.96Å
62M89.6Confident85.5Confident73 Ų7358.9 Ų58.936%0.3630%0.295SS..EExtended strand (participates in β ladder)trans-128.8137172.4-57.9174.963.900109.7F72 I73M62-F72 CarbonylContact O-C 3.51Å; M62-F72 VanDerWaalsContact O-CA 3.26Å; M62-F72 WeakPolarHBondContact O-CA 3.3Å; M62-I73 HydrophobicContact CB-CB 4.29Å; M62-I73 PolarHBondContact N-O 3.47Å; M62-I73 PolarHBondContact O-N 3.33Å
63K92.7Very high86.6Confident97 Ų9759.8 Ų59.842%0.42230%0.3SS..EExtended strand (participates in β ladder)trans-104.4135.2174.6-61.1175.5-173.8178.70109E96 T99K63-E96 IonicContact NZ-OE1 3.34Å; K63-E96 PolarHBondContact NZ-OE1 2.86Å; K63-E96 IonicContact NZ-OE2 3.36Å; K63-E96 PolarHBondContact NZ-OE2 2.93Å; K63-T99 WeakPolarHBondContact CE-OG1 3.27Å; K63-T99 HydrophobicContact CG-CG2 4.33Å; K63-T99 PolarHBondContact NZ-OG1 2.95Å
64T91.8Very high87.3Confident42 Ų4257.2 Ų57.226%0.25829%0.285SS..EExtended strand (participates in β ladder)trans-149.3150.7-178.8171.30000110.5R66 T71 I73T64-R66 VanDerWaalsContact C-N 3.31Å; T64-R66 WeakPolarHBondContact CG2-O 3.11Å; T64-R66 PolarHBondContact OG1-N 3.01Å; T64-R66 PolarHBondContact OG1-O 3.07Å; T64-T71 HydrophobicContact CG2-CG2 3.55Å; T64-T71 PolarHBondContact N-O 3.01Å; T64-T71 CarbonylContact O-C 3.16Å; T64-T71 WeakPolarHBondContact O-CA 3.25Å; T64-T71 VanDerWaalsContact O-CB 3.3Å; T64-T71 WeakPolarHBondContact O-CB 3.35Å; T64-T71 PolarHBondContact O-N 3.41Å; T64-I73 HydrophobicContact CG2-CD1 3.92Å; T64-I73 HydrophobicContact CG2-CG1 4.19Å
65E91.3Very high87.3Confident99 Ų9959.2 Ų59.246%0.46329%0.292SS..SBendtrans-93.16.4172.8-59.6-54.5148.400112.4K68 P69 N70 R95E65-K68 CarbonylContact C-O 3.55Å; E65-K68 CarbonylContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-O 3.07Å; E65-P69 VanDerWaalsContact OE2-CA 3.3Å; E65-P69 WeakPolarHBondContact OE2-CA 3.48Å; E65-N70 PolarHBondContact OE2-N 2.97Å; E65-R95 IonicContact OE1-CZ 2.63Å; E65-R95 IonicContact OE1-NH1 3.62Å; E65-R95 PolarHBondContact OE1-NH1 2.73Å; E65-R95 IonicContact OE1-NH2 3.26Å; E65-R95 PolarHBondContact OE1-NH2 3.12Å
66R84.6Confident86.9Confident205 Ų20557 Ų5777%0.77428%0.276SS*.SBendtrans-128.8143177.5-66.9-174-179.3-172.91.1110.6T64T64-R66 VanDerWaalsContact C-N 3.31Å; T64-R66 WeakPolarHBondContact CG2-O 3.11Å; T64-R66 PolarHBondContact OG1-N 3.01Å; T64-R66 PolarHBondContact OG1-O 3.07Å
67P82.7Confident85.6Confident64 Ų6462.1 Ų62.142%0.41630%0.303SS..SBendcis-84.4-7.88.727.3-23.4000115W22W22-P67 HydrophobicContact CZ2-CG 3.78Å
68K87.3Confident84.3Confident83 Ų8365.5 Ų65.536%0.36131%0.314SS..SBendtrans-128.4159.1168-77.5-168.1169.3-1710110.4W22 E65 T71 H88W22-K68 HydrophobicContact CD2-CD 4.35Å; W22-K68 HydrophobicContact CG-CD 4.38Å; W22-K68 HydrophobicContact CZ2-CB 4.02Å; W22-K68 HydrophobicContact CZ2-CD 4.2Å; W22-K68 HydrophobicContact CZ2-CG 3.99Å; E65-K68 CarbonylContact C-O 3.55Å; E65-K68 CarbonylContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-O 3.07Å; K68-T71 WeakPolarHBondContact O-CB 3.5Å; K68-T71 PolarHBondContact O-OG1 2.84Å; K68-H88 WeakPolarHBondContact CB-CD2 3.42Å
69P89.7Confident82.7Confident78 Ų7870.4 Ų70.451%0.50633%0.33SS..THydrogen-bonded Turntrans-53.1154.4172.6-24.834.9000112.2E65 T71 H88E65-P69 VanDerWaalsContact OE2-CA 3.3Å; E65-P69 WeakPolarHBondContact OE2-CA 3.48Å; P69-T71 PolarHBondContact O-N 3.46Å; P69-H88 PolarHBondContact O-CD2 2.87Å; P69-H88 PolarHBondContact O-NE2 2.83Å
70N93.3Very high80.9Confident20 Ų2074.4 Ų74.411%0.10735%0.353CS..THydrogen-bonded Turntrans56.827.8176.3-44.6-42.1000114.1E65 V89 D90 P92 R95E65-N70 PolarHBondContact OE2-N 2.97Å; N70-V89 HydrophobicContact CB-CG2 4.19Å; N70-V89 VanDerWaalsContact CB-O 3.3Å; N70-V89 WeakPolarHBondContact CB-O 3.05Å; N70-V89 PolarHBondContact ND2-O 2.88Å; N70-D90 PolarHBondContact ND2-O 2.63Å; N70-P92 WeakPolarHBondContact OD1-CA 3.34Å; N70-R95 HydrophobicContact CB-CB 4.44Å
71T94.6Very high78.9Confident0 Ų073.1 Ų73.10%035%0.353CS..EExtended strand (participates in β ladder)trans-76.8141.6176.2-67.60000110W22 T64 K68 P69 I73 T86 F87W22-T71 HydrophobicContact CH2-CG2 4.38Å; T64-T71 HydrophobicContact CG2-CG2 3.55Å; T64-T71 PolarHBondContact N-O 3.01Å; T64-T71 CarbonylContact O-C 3.16Å; T64-T71 WeakPolarHBondContact O-CA 3.25Å; T64-T71 VanDerWaalsContact O-CB 3.3Å; T64-T71 WeakPolarHBondContact O-CB 3.35Å; T64-T71 PolarHBondContact O-N 3.41Å; K68-T71 WeakPolarHBondContact O-CB 3.5Å; K68-T71 PolarHBondContact O-OG1 2.84Å; P69-T71 PolarHBondContact O-N 3.46Å; T71-I73 HydrophobicContact CG2-CG1 4.45Å; T71-T86 HydrophobicContact CG2-CG2 3.46Å; T71-T86 VanDerWaalsContact CG2-CG2 3.46Å; T71-F87 CarbonylContact C-O 3.46Å; T71-F87 WeakPolarHBondContact CA-O 3.15Å; T71-F87 VanDerWaalsContact CG2-O 3.28Å; T71-F87 WeakPolarHBondContact CG2-O 3.46Å
72F93.8Very high77.6Confident0 Ų075.5 Ų75.50%037%0.369CS..EExtended strand (participates in β ladder)trans-130.7147166.165.3-83.9000110.5V12 M62 I74 F87 V89 R95 W98 T99 I102V12-F72 HydrophobicContact CG1-CE1 4.13Å; V12-F72 HydrophobicContact CG1-CZ 3.99Å; M62-F72 CarbonylContact O-C 3.51Å; M62-F72 VanDerWaalsContact O-CA 3.26Å; M62-F72 WeakPolarHBondContact O-CA 3.3Å; F72-I74 HydrophobicContact CD2-CG1 4.21Å; F72-I74 HydrophobicContact CE2-CD1 4.25Å; F72-I74 HydrophobicContact CE2-CG1 4.23Å; F72-F87 HydrophobicContact CD1-CB 3.97Å; F72-F87 HydrophobicContact CD2-CB 3.99Å; F72-F87 HydrophobicContact CD2-CD2 4.11Å; F72-F87 HydrophobicContact CD2-CG 4.42Å; F72-F87 HydrophobicContact CE1-CB 3.56Å; F72-F87 HydrophobicContact CE2-CB 3.57Å; F72-F87 AromaticContact CE2-CD2 3.7Å; F72-F87 HydrophobicContact CE2-CD2 3.7Å; F72-F87 AromaticContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CG-CB 4.18Å; F72-F87 HydrophobicContact CZ-CB 3.36Å; F72-F87 HydrophobicContact CZ-CD2 4.28Å; F72-F87 AromaticContact CZ-CG 3.89Å; F72-F87 HydrophobicContact CZ-CG 3.89Å; F72-F87 PolarHBondContact N-O 2.73Å; F72-F87 PolarHBondContact O-N 2.87Å; F72-F87 VanDerWaalsContact O-O 3.13Å; F72-V89 HydrophobicContact CE1-CG1 4.08Å; F72-V89 HydrophobicContact CE1-CG2 4.46Å; F72-R95 HydrophobicContact CB-CG 4.18Å; F72-R95 HydrophobicContact CD1-CG 4.1Å; F72-W98 HydrophobicContact CE1-CB 4.26Å; F72-W98 HydrophobicContact CZ-CB 4.04Å; F72-W98 HydrophobicContact CZ-CG 4.3Å; F72-T99 HydrophobicContact CB-CG2 3.73Å; F72-T99 HydrophobicContact CD2-CG2 4.17Å; F72-T99 HydrophobicContact CG-CG2 3.97Å; F72-I102 HydrophobicContact CE2-CD1 4.09Å
73I90.9Very high76.4Confident23 Ų2373.5 Ų73.512%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-119.1126.9-178.5-57.1170.4000107.6L61 M62 T64 T71 E84 R85 T86L61-I73 WeakPolarHBondContact CA-O 3.27Å; M62-I73 HydrophobicContact CB-CB 4.29Å; M62-I73 PolarHBondContact N-O 3.47Å; M62-I73 PolarHBondContact O-N 3.33Å; T64-I73 HydrophobicContact CG2-CD1 3.92Å; T64-I73 HydrophobicContact CG2-CG1 4.19Å; T71-I73 HydrophobicContact CG2-CG1 4.45Å; I73-E84 HydrophobicContact CG2-CB 4.04Å; I73-E84 HydrophobicContact CG2-CG 4.31Å; I73-R85 CarbonylContact C-O 3.56Å; I73-R85 WeakPolarHBondContact CA-O 3.42Å; I73-T86 HydrophobicContact CG1-CG2 4.1Å
74I89.4Confident75.8Confident4 Ų473 Ų732%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-98.6114.1169.9-49.9-179.4000106.8F35 V56 C59 L61 F72 R85 F87 I102F35-I74 HydrophobicContact CD1-CD1 3.86Å; F35-I74 HydrophobicContact CE1-CD1 3.72Å; V56-I74 HydrophobicContact CG1-CD1 4.39Å; V56-I74 HydrophobicContact CG1-CG2 4.37Å; C59-I74 HydrophobicContact CB-CG2 3.63Å; L61-I74 HydrophobicContact CD2-CB 4.41Å; L61-I74 HydrophobicContact CD2-CG1 3.75Å; F72-I74 HydrophobicContact CD2-CG1 4.21Å; F72-I74 HydrophobicContact CE2-CD1 4.25Å; F72-I74 HydrophobicContact CE2-CG1 4.23Å; I74-R85 PolarHBondContact N-O 2.83Å; I74-R85 PolarHBondContact O-N 2.78Å; I74-F87 HydrophobicContact CB-CE2 4.12Å; I74-F87 HydrophobicContact CD1-CD2 3.98Å; I74-F87 HydrophobicContact CD1-CE2 3.47Å; I74-F87 VanDerWaalsContact CD1-CE2 3.47Å; I74-F87 HydrophobicContact CD1-CZ 4.2Å; I74-F87 HydrophobicContact CG1-CD2 3.89Å; I74-F87 HydrophobicContact CG1-CE2 3.64Å; I74-I102 HydrophobicContact CD1-CD1 3.74Å; I74-I102 HydrophobicContact CG1-CD1 4.45Å
75R79.7Confident75.4Confident76 Ų7672.2 Ų72.229%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-102.5112.4175.1-177.6-173.9-80.9166.2-6.1108.5C59 Q60 V82 I83 E84C59-R75 CarbonylContact C-O 3.36Å; C59-R75 VanDerWaalsContact CA-O 3.27Å; C59-R75 WeakPolarHBondContact CA-O 3.5Å; Q60-R75 HydrophobicContact CB-CB 4.31Å; Q60-R75 PolarHBondContact N-O 3.41Å; Q60-R75 PolarHBondContact O-N 2.89Å; R75-V82 VanDerWaalsContact CD-CG1 3.43Å; R75-V82 HydrophobicContact CG-CG1 3.25Å; R75-I83 CarbonylContact C-O 3.6Å; R75-I83 WeakPolarHBondContact CA-O 3.38Å; R75-E84 HydrophobicContact CB-CG 4.18Å; R75-E84 HydrophobicContact CG-CG 3.96Å; R75-E84 IonicContact CZ-OE1 3.97Å; R75-E84 IonicContact NE-OE1 3.44Å; R75-E84 PolarHBondContact NE-OE1 3.32Å; R75-E84 IonicContact NH2-OE1 2.9Å; R75-E84 PolarHBondContact NH2-OE1 2.94Å
76C72.6Confident75.3Confident23 Ų2368.6 Ų68.616%0.15534%0.335CS..EExtended strand (participates in β ladder)trans-111.7146.6178.3-61.60000110.3S55 C59 I83S55-C76 PolarHBondContact O-SG 2.74Å; C59-C76 WeakPolarHBondContact CB-SG 3.3Å; C76-I83 PolarHBondContact N-O 3.5Å; C76-I83 PolarHBondContact O-N 3.35Å
77L55.6Low75.7Confident108 Ų10858.8 Ų58.857%0.56530%0.298SS*.EExtended strand (participates in β ladder)trans-87.9114.5166.6-166.974.7000108.6V82L77-V82 HydrophobicContact CD1-CG2 3.85Å
78Q50.4Low76.2Confident97 Ų9756.5 Ų56.545%0.45328%0.282SS..EExtended strand (participates in β ladder)trans-110.3107.6171.2-163.2169.21.400108.3T80 T81 I83Q78-T80 PolarHBondContact O-N 3.31Å; Q78-T80 VanDerWaalsContact O-N 3.09Å; Q78-T81 PolarHBondContact N-O 2.91Å; Q78-T81 PolarHBondContact O-N 3.12Å; Q78-I83 HydrophobicContact CB-CD1 3.59Å; Q78-I83 HydrophobicContact CB-CG1 4.28Å; Q78-I83 HydrophobicContact CG-CD1 4.31Å
79W46.7Very low76.6Confident233 Ų23352.7 Ų52.788%0.88327%0.266SS*.THydrogen-bonded Turntrans60.5-103.5-169.7-51.197.7000111.9
80T46.5Very low76.7Confident101 Ų10154.8 Ų54.862%0.6227%0.272SS*.THydrogen-bonded Turntrans-110.4-9.6179.647.40000112.3Q78 D188Q78-T80 PolarHBondContact O-N 3.31Å; Q78-T80 VanDerWaalsContact O-N 3.09Å; T80-D188 PolarHBondContact OG1-OD2 3.13Å; T80-D188 VanDerWaalsContact OG1-OD2 3.11Å
81T45.3Very low76.7Confident79 Ų7956.1 Ų56.149%0.48528%0.281SS..EExtended strand (participates in β ladder)trans-102.6132.7-173.7-56.10000110.6Q78 I83Q78-T81 PolarHBondContact N-O 2.91Å; Q78-T81 PolarHBondContact O-N 3.12Å; T81-I83 HydrophobicContact CG2-CG1 4.43Å
82V60.8Low76.7Confident81 Ų8158.8 Ų58.849%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-82.5116.1172.4177.40000108.2R75 L77R75-V82 VanDerWaalsContact CD-CG1 3.43Å; R75-V82 HydrophobicContact CG-CG1 3.25Å; L77-V82 HydrophobicContact CD1-CG2 3.85Å
83I65.7Low76.7Confident31 Ų3164.4 Ų64.416%0.15933%0.325CS..EExtended strand (participates in β ladder)trans-105.5123.6178.6-59.9-179.9000108.6R75 C76 Q78 T81 R85R75-I83 CarbonylContact C-O 3.6Å; R75-I83 WeakPolarHBondContact CA-O 3.38Å; C76-I83 PolarHBondContact N-O 3.5Å; C76-I83 PolarHBondContact O-N 3.35Å; Q78-I83 HydrophobicContact CB-CD1 3.59Å; Q78-I83 HydrophobicContact CB-CG1 4.28Å; Q78-I83 HydrophobicContact CG-CD1 4.31Å; T81-I83 HydrophobicContact CG2-CG1 4.43Å; I83-R85 HydrophobicContact CG2-CG 4.32Å; I83-R85 VanDerWaalsContact CG2-CZ 3.44Å; I83-R85 VanDerWaalsContact CG2-NH1 3.26Å
84E80.4Confident76.9Confident85 Ų8566.6 Ų66.640%0.39733%0.334SS..EExtended strand (participates in β ladder)trans-102128.8174.7-68.6-176.8-177.600110.5I73 R75I73-E84 HydrophobicContact CG2-CB 4.04Å; I73-E84 HydrophobicContact CG2-CG 4.31Å; R75-E84 HydrophobicContact CB-CG 4.18Å; R75-E84 HydrophobicContact CG-CG 3.96Å; R75-E84 IonicContact CZ-OE1 3.97Å; R75-E84 IonicContact NE-OE1 3.44Å; R75-E84 PolarHBondContact NE-OE1 3.32Å; R75-E84 IonicContact NH2-OE1 2.9Å; R75-E84 PolarHBondContact NH2-OE1 2.94Å
85R81.9Confident77.2Confident27 Ų2767.8 Ų67.810%0.10234%0.339CS..EExtended strand (participates in β ladder)trans-118.2115.4175.2-62.2-60.2-172.1-136.219.8108.3E17 F54 I73 I74 I83 F87 D320E17-R85 IonicContact OE1-NH1 3.92Å; E17-R85 PolarHBondContact OE1-NH1 3.4Å; E17-R85 VanDerWaalsContact OE1-NH1 3.15Å; E17-R85 IonicContact OE2-CZ 2.85Å; E17-R85 IonicContact OE2-NH1 3.12Å; E17-R85 PolarHBondContact OE2-NH1 2.98Å; E17-R85 IonicContact OE2-NH2 3.87Å; E17-R85 PolarHBondContact OE2-NH2 3.31Å; F54-R85 HydrophobicContact CE1-CG 4.31Å; I73-R85 CarbonylContact C-O 3.56Å; I73-R85 WeakPolarHBondContact CA-O 3.42Å; I74-R85 PolarHBondContact N-O 2.83Å; I74-R85 PolarHBondContact O-N 2.78Å; I83-R85 HydrophobicContact CG2-CG 4.32Å; I83-R85 VanDerWaalsContact CG2-CZ 3.44Å; I83-R85 VanDerWaalsContact CG2-NH1 3.26Å; R85-F87 HydrophobicContact CB-CD2 4.39Å; R85-F87 HydrophobicContact CB-CE2 3.4Å; R85-F87 HydrophobicContact CB-CZ 3.69Å; R85-F87 VanDerWaalsContact O-CD2 3.29Å; R85-F87 WeakPolarHBondContact O-CD2 2.88Å; R85-F87 WeakPolarHBondContact O-CE2 3.32Å; R85-D320 IonicContact CZ-OD2 3.46Å; R85-D320 IonicContact NE-OD2 3.85Å; R85-D320 IonicContact NH2-OD1 2.67Å; R85-D320 PolarHBondContact NH2-OD1 2.87Å; R85-D320 VanDerWaalsContact NH2-OD1 3.17Å; R85-D320 IonicContact NH2-OD2 3.18Å; R85-D320 PolarHBondContact NH2-OD2 3.31Å
86T89.2Confident77.9Confident22 Ų2267.5 Ų67.514%0.13534%0.341CS..EExtended strand (participates in β ladder)trans-95.9130.1-178.2-52.40000110.6R15 W22 T71 I73R15-T86 HydrophobicContact CB-CG2 4.4Å; R15-T86 PolarHBondContact N-O 3.12Å; W22-T86 HydrophobicContact CH2-CG2 3.85Å; W22-T86 HydrophobicContact CZ3-CG2 4.42Å; T71-T86 HydrophobicContact CG2-CG2 3.46Å; T71-T86 VanDerWaalsContact CG2-CG2 3.46Å; I73-T86 HydrophobicContact CG1-CG2 4.1Å
87F93.6Very high79Confident0 Ų071 Ų710%036%0.355CS..EExtended strand (participates in β ladder)trans-130153.4-177.3-60.1-83.1000111V12 Q13 K14 F27 F35 F54 T71 F72 I74 R85V12-F87 HydrophobicContact CG1-CB 3.69Å; V12-F87 HydrophobicContact CG1-CD1 3.82Å; V12-F87 HydrophobicContact CG1-CG 4.15Å; Q13-F87 CarbonylContact O-C 3.39Å; Q13-F87 VanDerWaalsContact O-CA 3.3Å; Q13-F87 WeakPolarHBondContact O-CA 3.48Å; K14-F87 HydrophobicContact CB-CD1 4.15Å; K14-F87 HydrophobicContact CB-CE1 4.12Å; K14-F87 HydrophobicContact CG-CD1 4.24Å; K14-F87 HydrophobicContact CG-CE1 3.86Å; F27-F87 HydrophobicContact CE1-CE1 4.23Å; F27-F87 HydrophobicContact CE2-CD1 4.28Å; F27-F87 AromaticContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CZ-CD1 4.42Å; F27-F87 AromaticContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CZ 4.49Å; F35-F87 HydrophobicContact CD1-CZ 4.41Å; F35-F87 HydrophobicContact CE1-CE1 4.01Å; F35-F87 HydrophobicContact CE1-CE2 4.28Å; F35-F87 AromaticContact CE1-CZ 3.81Å; F35-F87 HydrophobicContact CE1-CZ 3.81Å; F54-F87 HydrophobicContact CD2-CZ 4.47Å; F54-F87 HydrophobicContact CE2-CE1 4.46Å; F54-F87 HydrophobicContact CE2-CZ 4.06Å; T71-F87 CarbonylContact C-O 3.46Å; T71-F87 WeakPolarHBondContact CA-O 3.15Å; T71-F87 VanDerWaalsContact CG2-O 3.28Å; T71-F87 WeakPolarHBondContact CG2-O 3.46Å; F72-F87 HydrophobicContact CD1-CB 3.97Å; F72-F87 HydrophobicContact CD2-CB 3.99Å; F72-F87 HydrophobicContact CD2-CD2 4.11Å; F72-F87 HydrophobicContact CD2-CG 4.42Å; F72-F87 HydrophobicContact CE1-CB 3.56Å; F72-F87 HydrophobicContact CE2-CB 3.57Å; F72-F87 AromaticContact CE2-CD2 3.7Å; F72-F87 HydrophobicContact CE2-CD2 3.7Å; F72-F87 AromaticContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CG-CB 4.18Å; F72-F87 HydrophobicContact CZ-CB 3.36Å; F72-F87 HydrophobicContact CZ-CD2 4.28Å; F72-F87 AromaticContact CZ-CG 3.89Å; F72-F87 HydrophobicContact CZ-CG 3.89Å; F72-F87 PolarHBondContact N-O 2.73Å; F72-F87 PolarHBondContact O-N 2.87Å; F72-F87 VanDerWaalsContact O-O 3.13Å; I74-F87 HydrophobicContact CB-CE2 4.12Å; I74-F87 HydrophobicContact CD1-CD2 3.98Å; I74-F87 HydrophobicContact CD1-CE2 3.47Å; I74-F87 VanDerWaalsContact CD1-CE2 3.47Å; I74-F87 HydrophobicContact CD1-CZ 4.2Å; I74-F87 HydrophobicContact CG1-CD2 3.89Å; I74-F87 HydrophobicContact CG1-CE2 3.64Å; R85-F87 HydrophobicContact CB-CD2 4.39Å; R85-F87 HydrophobicContact CB-CE2 3.4Å; R85-F87 HydrophobicContact CB-CZ 3.69Å; R85-F87 VanDerWaalsContact O-CD2 3.29Å; R85-F87 WeakPolarHBondContact O-CD2 2.88Å; R85-F87 WeakPolarHBondContact O-CE2 3.32Å
88H92.5Very high81Confident16 Ų1666.1 Ų66.17%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-137.9144.3176.8161.3-71.2000109.8Q13 W22 K68 P69 D90Q13-H88 HydrophobicContact CB-CB 4.04Å; Q13-H88 WeakPolarHBondContact CB-O 3.3Å; Q13-H88 PolarHBondContact N-O 2.86Å; Q13-H88 PolarHBondContact O-N 3.18Å; W22-H88 HydrophobicContact CE3-CB 3.97Å; W22-H88 HydrophobicContact CH2-CB 3.5Å; W22-H88 HydrophobicContact CZ2-CB 4.21Å; W22-H88 HydrophobicContact CZ3-CB 3.39Å; K68-H88 WeakPolarHBondContact CB-CD2 3.42Å; P69-H88 PolarHBondContact O-CD2 2.87Å; P69-H88 PolarHBondContact O-NE2 2.83Å; H88-D90 IonicContact CE1-OD1 3.47Å
89V95.4Very high83.1Confident3 Ų361.7 Ų61.72%0.01831%0.308CS..  trans-131.1164.2174.2-720000109.9V12 N70 F72 E94 R95V12-V89 HydrophobicContact CB-CG1 4.41Å; V12-V89 HydrophobicContact CG1-CG1 4Å; V12-V89 HydrophobicContact CG2-CG1 4.18Å; N70-V89 HydrophobicContact CB-CG2 4.19Å; N70-V89 VanDerWaalsContact CB-O 3.3Å; N70-V89 WeakPolarHBondContact CB-O 3.05Å; N70-V89 PolarHBondContact ND2-O 2.88Å; F72-V89 HydrophobicContact CE1-CG1 4.08Å; F72-V89 HydrophobicContact CE1-CG2 4.46Å; V89-E94 HydrophobicContact CB-CB 3.86Å; V89-E94 HydrophobicContact CG1-CB 4.41Å; V89-E94 HydrophobicContact CG2-CB 3.85Å; V89-R95 HydrophobicContact CG2-CB 3.64Å; V89-R95 VanDerWaalsContact CG2-N 3.35Å
90D93.3Very high85.4Confident121 Ų12156.2 Ų56.265%0.64729%0.293SS*.SBendtrans-80.1-25.8-166.4-67.1-30000111.8N70 H88 E94N70-D90 PolarHBondContact ND2-O 2.63Å; H88-D90 IonicContact CE1-OD1 3.47Å; D90-E94 PolarHBondContact N-OE2 3.36Å; D90-E94 VanDerWaalsContact N-OE2 3.11Å
91T93.6Very high87.7Confident48 Ų4852.2 Ų52.229%0.29427%0.27SS..SBendtrans-124.4152.1-179.976.40000113.1E93 E94 R95T91-E93 VanDerWaalsContact CB-OE2 3.3Å; T91-E93 WeakPolarHBondContact CB-OE2 3.45Å; T91-E93 PolarHBondContact O-N 3.11Å; T91-E93 PolarHBondContact OG1-OE2 2.94Å; T91-E94 PolarHBondContact O-N 2.87Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 VanDerWaalsContact OG1-CG 3.31Å; T91-E94 WeakPolarHBondContact OG1-CG 3.29Å; T91-E94 PolarHBondContact OG1-N 2.82Å; T91-E94 VanDerWaalsContact OG1-N 3.08Å; T91-R95 PolarHBondContact O-N 2.78Å
92P93.8Very high90Very high56 Ų5648.5 Ų48.536%0.36425%0.247SC..Hα-helixtrans-65-29174.224.9-32000112.3N70 R95 E96N70-P92 WeakPolarHBondContact OD1-CA 3.34Å; P92-R95 WeakPolarHBondContact O-CB 3.5Å; P92-R95 PolarHBondContact O-N 2.84Å; P92-E96 PolarHBondContact O-N 2.82Å
93E94.6Very high91.5Very high119 Ų11948 Ų4856%0.55624%0.239SC*.Hα-helixtrans-64.4-46.3175-62.372.3-154.500110.9T91 R95 E96 E97T91-E93 VanDerWaalsContact CB-OE2 3.3Å; T91-E93 WeakPolarHBondContact CB-OE2 3.45Å; T91-E93 PolarHBondContact O-N 3.11Å; T91-E93 PolarHBondContact OG1-OE2 2.94Å; E93-R95 PolarHBondContact O-N 3.42Å; E93-E96 WeakPolarHBondContact O-CB 3.38Å; E93-E96 PolarHBondContact O-N 2.9Å; E93-E96 VanDerWaalsContact O-N 3.1Å; E93-E97 WeakPolarHBondContact O-CG 3.29Å; E93-E97 PolarHBondContact O-N 2.91Å
94E94.2Very high92.8Very high68 Ų6849.2 Ų49.232%0.31825%0.254SS..Hα-helixtrans-59.7-37.7174.9-77.8178.9160.300111.6V89 D90 T91 E96 E97 W98V89-E94 HydrophobicContact CB-CB 3.86Å; V89-E94 HydrophobicContact CG1-CB 4.41Å; V89-E94 HydrophobicContact CG2-CB 3.85Å; D90-E94 PolarHBondContact N-OE2 3.36Å; D90-E94 VanDerWaalsContact N-OE2 3.11Å; T91-E94 PolarHBondContact O-N 2.87Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 VanDerWaalsContact OG1-CG 3.31Å; T91-E94 WeakPolarHBondContact OG1-CG 3.29Å; T91-E94 PolarHBondContact OG1-N 2.82Å; T91-E94 VanDerWaalsContact OG1-N 3.08Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E94-E97 PolarHBondContact O-N 3.41Å; E94-W98 WeakPolarHBondContact O-CB 3.4Å; E94-W98 PolarHBondContact O-N 3.06Å
95R95.7Very high93.3Very high30 Ų3045.3 Ų45.311%0.11324%0.236CC..Hα-helixtrans-63.7-43.8177.3179.8-175.564.8-172.1-7.4109.9E65 N70 F72 V89 T91 P92 E93 W98 T99E65-R95 IonicContact OE1-CZ 2.63Å; E65-R95 IonicContact OE1-NH1 3.62Å; E65-R95 PolarHBondContact OE1-NH1 2.73Å; E65-R95 IonicContact OE1-NH2 3.26Å; E65-R95 PolarHBondContact OE1-NH2 3.12Å; N70-R95 HydrophobicContact CB-CB 4.44Å; F72-R95 HydrophobicContact CB-CG 4.18Å; F72-R95 HydrophobicContact CD1-CG 4.1Å; V89-R95 HydrophobicContact CG2-CB 3.64Å; V89-R95 VanDerWaalsContact CG2-N 3.35Å; T91-R95 PolarHBondContact O-N 2.78Å; P92-R95 WeakPolarHBondContact O-CB 3.5Å; P92-R95 PolarHBondContact O-N 2.84Å; E93-R95 PolarHBondContact O-N 3.42Å; R95-W98 PolarHBondContact O-N 3.38Å; R95-T99 HydrophobicContact CG-CG2 4.3Å; R95-T99 WeakPolarHBondContact O-CB 3.18Å; R95-T99 VanDerWaalsContact O-CG2 3.3Å; R95-T99 WeakPolarHBondContact O-CG2 3.27Å; R95-T99 PolarHBondContact O-N 3.18Å; R95-T99 PolarHBondContact O-OG1 3.22Å
96E95.4Very high93.7Very high69 Ų6944.2 Ų44.232%0.32223%0.233SC..Hα-helixtrans-61.8-50.7178.5-155.261.3-154.200110.2K63 P92 E93 E94 W98 T99 E100K63-E96 IonicContact NZ-OE1 3.34Å; K63-E96 PolarHBondContact NZ-OE1 2.86Å; K63-E96 IonicContact NZ-OE2 3.36Å; K63-E96 PolarHBondContact NZ-OE2 2.93Å; P92-E96 PolarHBondContact O-N 2.82Å; E93-E96 WeakPolarHBondContact O-CB 3.38Å; E93-E96 PolarHBondContact O-N 2.9Å; E93-E96 VanDerWaalsContact O-N 3.1Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E96-W98 VanDerWaalsContact C-N 3.33Å; E96-W98 PolarHBondContact O-N 2.92Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.48Å; E96-T99 VanDerWaalsContact O-OG1 3.09Å; E96-E100 HydrophobicContact CG-CG 4.34Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 WeakPolarHBondContact O-CG 3.34Å; E96-E100 PolarHBondContact O-N 3.36Å
97E95.5Very high93.9Very high97 Ų9746.2 Ų46.245%0.45324%0.243SC..Hα-helixtrans-57.1-42.6178.3-68.2176.7-172.200113K8 E93 E94 A101K8-E97 HydrophobicContact CD-CB 4.43Å; K8-E97 IonicContact NZ-OE2 3.09Å; K8-E97 PolarHBondContact NZ-OE2 3.09Å; E93-E97 WeakPolarHBondContact O-CG 3.29Å; E93-E97 PolarHBondContact O-N 2.91Å; E94-E97 PolarHBondContact O-N 3.41Å; E97-A101 WeakPolarHBondContact O-CB 3.45Å; E97-A101 PolarHBondContact O-N 3.01Å; E97-A101 VanDerWaalsContact O-N 3.1Å
98W95.8Very high93.7Very high5 Ų550.2 Ų50.22%0.01926%0.258CS..Hα-helixtrans-67.4-47.6177.3-85.4113.4000112.1K8 V12 F27 L29 F35 F72 E94 R95 E96 A101 I102K8-W98 HydrophobicContact CB-CE3 4.38Å; K8-W98 HydrophobicContact CB-CH2 4.36Å; K8-W98 HydrophobicContact CB-CZ3 3.92Å; K8-W98 HydrophobicContact CD-CD2 3.74Å; K8-W98 HydrophobicContact CD-CE3 3.65Å; K8-W98 HydrophobicContact CD-CG 4.23Å; K8-W98 HydrophobicContact CD-CH2 4.39Å; K8-W98 HydrophobicContact CD-CZ2 4.48Å; K8-W98 HydrophobicContact CD-CZ3 3.95Å; K8-W98 HydrophobicContact CG-CD2 4.35Å; K8-W98 HydrophobicContact CG-CE3 4.03Å; K8-W98 HydrophobicContact CG-CH2 3.94Å; K8-W98 HydrophobicContact CG-CZ2 4.27Å; K8-W98 HydrophobicContact CG-CZ3 3.77Å; V12-W98 HydrophobicContact CG2-CD2 4.28Å; V12-W98 HydrophobicContact CG2-CZ2 3.69Å; F27-W98 HydrophobicContact CB-CH2 3.96Å; F27-W98 HydrophobicContact CB-CZ2 4.38Å; L29-W98 HydrophobicContact CB-CZ3 4.08Å; F35-W98 HydrophobicContact CD2-CZ3 4.48Å; F35-W98 AromaticContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CH2 4.13Å; F35-W98 AromaticContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CZ-CE3 4.38Å; F35-W98 HydrophobicContact CZ-CZ3 4.27Å; F72-W98 HydrophobicContact CE1-CB 4.26Å; F72-W98 HydrophobicContact CZ-CB 4.04Å; F72-W98 HydrophobicContact CZ-CG 4.3Å; E94-W98 WeakPolarHBondContact O-CB 3.4Å; E94-W98 PolarHBondContact O-N 3.06Å; R95-W98 PolarHBondContact O-N 3.38Å; E96-W98 VanDerWaalsContact C-N 3.33Å; E96-W98 PolarHBondContact O-N 2.92Å; W98-A101 PolarHBondContact O-N 3.03Å; W98-I102 WeakPolarHBondContact O-CB 3.29Å; W98-I102 WeakPolarHBondContact O-CD1 3.5Å; W98-I102 WeakPolarHBondContact O-CG1 3.38Å; W98-I102 PolarHBondContact O-N 3.14Å
99T94.7Very high93.5Very high4 Ų450.9 Ų50.93%0.02526%0.262CS..Hα-helixtrans-67.4-39.9-177.754.90000112.3L61 K63 F72 R95 E96 I102 Q103L61-T99 WeakPolarHBondContact CD1-O 3.47Å; L61-T99 HydrophobicContact CD2-CG2 4.49Å; K63-T99 WeakPolarHBondContact CE-OG1 3.27Å; K63-T99 HydrophobicContact CG-CG2 4.33Å; K63-T99 PolarHBondContact NZ-OG1 2.95Å; F72-T99 HydrophobicContact CB-CG2 3.73Å; F72-T99 HydrophobicContact CD2-CG2 4.17Å; F72-T99 HydrophobicContact CG-CG2 3.97Å; R95-T99 HydrophobicContact CG-CG2 4.3Å; R95-T99 WeakPolarHBondContact O-CB 3.18Å; R95-T99 VanDerWaalsContact O-CG2 3.3Å; R95-T99 WeakPolarHBondContact O-CG2 3.27Å; R95-T99 PolarHBondContact O-N 3.18Å; R95-T99 PolarHBondContact O-OG1 3.22Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.48Å; E96-T99 VanDerWaalsContact O-OG1 3.09Å; T99-I102 PolarHBondContact O-N 3.46Å; T99-Q103 VanDerWaalsContact O-CB 3.3Å; T99-Q103 WeakPolarHBondContact O-CB 3.35Å; T99-Q103 PolarHBondContact O-N 3.31Å
100E95.2Very high93Very high119 Ų11955.5 Ų55.556%0.55628%0.283SS*.Hα-helixtrans-64-45.2174.2-72.9-176170.400111.8E96 I102 Q103 A104E96-E100 HydrophobicContact CG-CG 4.34Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 WeakPolarHBondContact O-CG 3.34Å; E96-E100 PolarHBondContact O-N 3.36Å; E100-I102 PolarHBondContact O-N 3.44Å; E100-Q103 PolarHBondContact O-N 2.94Å; E100-A104 VanDerWaalsContact O-CB 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.38Å; E100-A104 PolarHBondContact O-N 3.38Å
101A94.4Very high92.6Very high17 Ų1756.7 Ų56.714%0.1428%0.279CS..Hα-helixtrans-62.5-43.6178.500000111.9V7 K8 L29 E97 W98 V105V7-A101 HydrophobicContact CG1-CB 4.37Å; K8-A101 HydrophobicContact CB-CB 4.17Å; K8-A101 HydrophobicContact CD-CB 4Å; L29-A101 HydrophobicContact CD2-CB 3.83Å; E97-A101 WeakPolarHBondContact O-CB 3.45Å; E97-A101 PolarHBondContact O-N 3.01Å; E97-A101 VanDerWaalsContact O-N 3.1Å; W98-A101 PolarHBondContact O-N 3.03Å; A101-V105 WeakPolarHBondContact O-CG2 2.94Å; A101-V105 PolarHBondContact O-N 2.9Å; A101-V105 VanDerWaalsContact O-N 3.17Å
102I93.7Very high92.1Very high0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-64.9-46.1177.8-67162.7000110.4L29 F35 V56 L61 F72 I74 W98 T99 E100 A104 V105 A106L29-I102 HydrophobicContact CD1-CG1 4.4Å; L29-I102 HydrophobicContact CD2-CG1 3.94Å; F35-I102 HydrophobicContact CZ-CD1 4.42Å; V56-I102 HydrophobicContact CB-CG2 3.84Å; V56-I102 HydrophobicContact CG1-CG2 3.86Å; V56-I102 HydrophobicContact CG2-CG2 4.16Å; L61-I102 HydrophobicContact CD1-CB 3.96Å; L61-I102 HydrophobicContact CD1-CG2 3.85Å; L61-I102 HydrophobicContact CD2-CB 4.47Å; L61-I102 HydrophobicContact CD2-CD1 4.43Å; L61-I102 HydrophobicContact CD2-CG2 4.04Å; L61-I102 HydrophobicContact CG-CG2 4.22Å; F72-I102 HydrophobicContact CE2-CD1 4.09Å; I74-I102 HydrophobicContact CD1-CD1 3.74Å; I74-I102 HydrophobicContact CG1-CD1 4.45Å; W98-I102 WeakPolarHBondContact O-CB 3.29Å; W98-I102 WeakPolarHBondContact O-CD1 3.5Å; W98-I102 WeakPolarHBondContact O-CG1 3.38Å; W98-I102 PolarHBondContact O-N 3.14Å; T99-I102 PolarHBondContact O-N 3.46Å; E100-I102 PolarHBondContact O-N 3.44Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.28Å; I102-V105 PolarHBondContact O-N 3.27Å; I102-A106 PolarHBondContact O-N 3.04Å
103Q93Very high91.3Very high71 Ų7160.1 Ų60.133%0.33229%0.286SS..Hα-helixtrans-61-44.2178.7-168.263.657.300111.3L61 T99 E100 V105 A106 D107L61-Q103 HydrophobicContact CD1-CB 3.96Å; T99-Q103 VanDerWaalsContact O-CB 3.3Å; T99-Q103 WeakPolarHBondContact O-CB 3.35Å; T99-Q103 PolarHBondContact O-N 3.31Å; E100-Q103 PolarHBondContact O-N 2.94Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-V105 PolarHBondContact O-N 2.88Å; Q103-A106 PolarHBondContact O-N 3.02Å; Q103-D107 PolarHBondContact NE2-OD1 3.01Å; Q103-D107 WeakPolarHBondContact O-CB 3.44Å; Q103-D107 PolarHBondContact O-N 3.49Å
104A92.8Very high90.3Very high57 Ų5759.2 Ų59.247%0.47128%0.282SS..Hα-helixtrans-61.3-37.5178.600000112.8E100 I102 R108E100-A104 VanDerWaalsContact O-CB 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.38Å; E100-A104 PolarHBondContact O-N 3.38Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.28Å; A104-R108 WeakPolarHBondContact O-CB 3.44Å; A104-R108 PolarHBondContact O-N 2.75Å; A104-R108 VanDerWaalsContact O-N 3.15Å
105V92.1Very high89.4Confident3 Ų362.2 Ų62.22%0.01830%0.296CS..Hα-helixtrans-69.8-45.1175.2173.70000111.1V7 L29 V56 A101 I102 Q103 R108 L109V7-V105 HydrophobicContact CB-CG2 4.29Å; V7-V105 HydrophobicContact CG1-CG2 4.07Å; V7-V105 HydrophobicContact CG2-CG2 3.83Å; L29-V105 HydrophobicContact CD1-CG2 4.49Å; L29-V105 HydrophobicContact CD2-CG2 3.98Å; L29-V105 HydrophobicContact CG-CG2 4.24Å; V56-V105 HydrophobicContact CG2-CG1 4.15Å; A101-V105 WeakPolarHBondContact O-CG2 2.94Å; A101-V105 PolarHBondContact O-N 2.9Å; A101-V105 VanDerWaalsContact O-N 3.17Å; I102-V105 PolarHBondContact O-N 3.27Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-V105 PolarHBondContact O-N 2.88Å; V105-R108 PolarHBondContact O-N 3Å; V105-L109 HydrophobicContact CG1-CD1 3.9Å; V105-L109 WeakPolarHBondContact O-CG 3.46Å; V105-L109 PolarHBondContact O-N 3.42Å
106A90.3Very high88.1Confident4 Ų470.2 Ų70.23%0.03333%0.326CS..Hα-helixtrans-58.8-50.1177.100000111.6V56 I102 Q103 R108 L109 Q110V56-A106 WeakPolarHBondContact O-CB 3.48Å; I102-A106 PolarHBondContact O-N 3.04Å; Q103-A106 PolarHBondContact O-N 3.02Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 3.08Å; A106-L109 PolarHBondContact O-N 3.37Å; A106-L109 VanDerWaalsContact O-N 3.16Å; A106-Q110 PolarHBondContact O-N 3.03Å
107D91.5Very high86.2Confident64 Ų6474 Ų7434%0.34235%0.345SS..Hα-helixtrans-63.1-33.4179.7-66.2-12.2000112.4Q103 R111Q103-D107 PolarHBondContact NE2-OD1 3.01Å; Q103-D107 WeakPolarHBondContact O-CB 3.44Å; Q103-D107 PolarHBondContact O-N 3.49Å; D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 2.78Å; D107-R111 PolarHBondContact O-NE 3.37Å
108R90.2Very high84.2Confident84 Ų8476.6 Ų76.632%0.31736%0.363SS..Hα-helixtrans-69.1-44.2175.4-174.9178.265.6-163.1-10.2111.3T31 A104 V105 A106 R111 Q112T31-R108 VanDerWaalsContact C-NH2 3.29Å; T31-R108 VanDerWaalsContact CG2-NH2 3.33Å; T31-R108 PolarHBondContact O-NH2 3.39Å; A104-R108 WeakPolarHBondContact O-CB 3.44Å; A104-R108 PolarHBondContact O-N 2.75Å; A104-R108 VanDerWaalsContact O-N 3.15Å; V105-R108 PolarHBondContact O-N 3Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 3.08Å; R108-R111 PolarHBondContact O-N 2.95Å; R108-Q112 WeakPolarHBondContact O-CG 3.45Å; R108-Q112 PolarHBondContact O-N 3.37Å; R108-Q112 VanDerWaalsContact O-N 3.09Å
109L88.1Confident81.3Confident30 Ų3081.4 Ų81.416%0.15740%0.396CS..Hα-helixtrans-67.7-39.5-179.6-69.8168.2000111.4D32 A57 V105 A106 Q112 E113D32-L109 WeakPolarHBondContact O-CD1 3.4Å; A57-L109 HydrophobicContact CB-CB 4.35Å; A57-L109 HydrophobicContact CB-CD1 3.72Å; V105-L109 HydrophobicContact CG1-CD1 3.9Å; V105-L109 WeakPolarHBondContact O-CG 3.46Å; V105-L109 PolarHBondContact O-N 3.42Å; A106-L109 PolarHBondContact O-N 3.37Å; A106-L109 VanDerWaalsContact O-N 3.16Å; L109-Q112 PolarHBondContact O-N 2.82Å; L109-E113 PolarHBondContact O-N 3.15Å
110Q85.4Confident78.4Confident100 Ų10085.5 Ų85.547%0.46743%0.425SS..Hα-helixtrans-59.9-46.5174.3-175.9176.8-11.800111.6A106 Q112 E113 E114A106-Q110 PolarHBondContact O-N 3.03Å; Q110-Q112 VanDerWaalsContact C-N 3.34Å; Q110-Q112 PolarHBondContact O-N 3.03Å; Q110-E113 PolarHBondContact O-N 3.02Å; Q110-E113 VanDerWaalsContact O-N 3.15Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.43Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 3.4Å
111R85.8Confident75.7Confident146 Ų14685 Ų8555%0.55143%0.432SS*.Hα-helixtrans-60.4-40.5175.8-77.6-177.3-72.9163.3-7.1112.9D107 R108 E113 E114 E115D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 2.78Å; D107-R111 PolarHBondContact O-NE 3.37Å; R108-R111 PolarHBondContact O-N 2.95Å; R111-E113 VanDerWaalsContact C-N 3.3Å; R111-E113 PolarHBondContact O-N 3.45Å; R111-E114 PolarHBondContact O-N 3.27Å; R111-E115 WeakPolarHBondContact O-CB 3.39Å; R111-E115 VanDerWaalsContact O-CG 3.3Å; R111-E115 WeakPolarHBondContact O-CG 3.47Å; R111-E115 PolarHBondContact O-N 3.39Å
112Q82.7Confident72.7Confident84 Ų8491.2 Ų91.239%0.39347%0.468SS..Hα-helixtrans-65.5-33.6176.5-73.4178.5-600112.6R108 L109 Q110 R116R108-Q112 WeakPolarHBondContact O-CG 3.45Å; R108-Q112 PolarHBondContact O-N 3.37Å; R108-Q112 VanDerWaalsContact O-N 3.09Å; L109-Q112 PolarHBondContact O-N 2.82Å; Q110-Q112 VanDerWaalsContact C-N 3.34Å; Q110-Q112 PolarHBondContact O-N 3.03Å; Q112-R116 WeakPolarHBondContact O-CB 3.15Å; Q112-R116 WeakPolarHBondContact O-CG 3.4Å; Q112-R116 PolarHBondContact O-N 3.14Å; Q112-R116 VanDerWaalsContact O-N 3.12Å
113E76.5Confident69.7Low92 Ų9296 Ų9643%0.4350%0.502SS..Hα-helixtrans-70.6-44.2175.3-161.3174.3-175.300110.7K58 L109 Q110 R111 R116 M117K58-E113 WeakPolarHBondContact CE-OE2 3.23Å; K58-E113 VanDerWaalsContact NZ-CD 3.32Å; K58-E113 IonicContact NZ-OE1 2.73Å; K58-E113 PolarHBondContact NZ-OE1 3.43Å; K58-E113 IonicContact NZ-OE2 3.15Å; K58-E113 PolarHBondContact NZ-OE2 3.2Å; L109-E113 PolarHBondContact O-N 3.15Å; Q110-E113 PolarHBondContact O-N 3.02Å; Q110-E113 VanDerWaalsContact O-N 3.15Å; R111-E113 VanDerWaalsContact C-N 3.3Å; R111-E113 PolarHBondContact O-N 3.45Å; E113-R116 PolarHBondContact O-N 3.09Å; E113-M117 VanDerWaalsContact O-CG 3.25Å; E113-M117 WeakPolarHBondContact O-CG 3.26Å; E113-M117 PolarHBondContact O-N 3.36Å
114E74.1Confident66.7Low100 Ų100101.2 Ų101.247%0.46753%0.526SS..Hα-helixtrans-63-41.2175.3-71172.5-172.100112.4Q110 R111 M117 N118Q110-E114 WeakPolarHBondContact CG-OE1 3.43Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 3.4Å; R111-E114 PolarHBondContact O-N 3.27Å; E114-M117 PolarHBondContact O-N 2.86Å; E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 PolarHBondContact O-N 2.86Å
115E74.1Confident63.7Low130 Ų130106.2 Ų106.261%0.60754%0.543SS*.Hα-helixtrans-64.7-40.4175.1-76.7174.1-17700112R111 M117 N118 C119R111-E115 WeakPolarHBondContact O-CB 3.39Å; R111-E115 VanDerWaalsContact O-CG 3.3Å; R111-E115 WeakPolarHBondContact O-CG 3.47Å; R111-E115 PolarHBondContact O-N 3.39Å; E115-M117 VanDerWaalsContact C-N 3.33Å; E115-N118 PolarHBondContact O-N 3.47Å; E115-C119 WeakPolarHBondContact O-CB 3.07Å; E115-C119 PolarHBondContact O-N 3.04Å
116R68.8Low60.6Low198 Ų198112.4 Ų112.475%0.74758%0.576SS**Hα-helixtrans-65.5-37.2174.6-79.2-177.8-172.1-153.55112.4Q112 E113 S120Q112-R116 WeakPolarHBondContact O-CB 3.15Å; Q112-R116 WeakPolarHBondContact O-CG 3.4Å; Q112-R116 PolarHBondContact O-N 3.14Å; Q112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 PolarHBondContact O-N 3.09Å; R116-S120 PolarHBondContact O-OG 3.4Å
117M55.8Low57.6Low148 Ų148120.3 Ų120.373%0.72962%0.618SS**Hα-helixtrans-68.5-36.9176.1-70-69.9-74.700111.6E113 E114 E115E113-M117 VanDerWaalsContact O-CG 3.25Å; E113-M117 WeakPolarHBondContact O-CG 3.26Å; E113-M117 PolarHBondContact O-N 3.36Å; E114-M117 PolarHBondContact O-N 2.86Å; E115-M117 VanDerWaalsContact C-N 3.33Å
118N53.1Low54.6Low152 Ų152125 Ų12581%0.81364%0.642SS**Hα-helixtrans-77.4-20.4177.3-87.6-8.3000114.5E114 E115E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 PolarHBondContact O-N 2.86Å; E115-N118 PolarHBondContact O-N 3.47Å
119C35.5Very low51.6Low107 Ų107124 Ų12472%0.72366%0.657SS**THydrogen-bonded Turntrans-99.823.5-179-117.10000114.6E115 P121E115-C119 WeakPolarHBondContact O-CB 3.07Å; E115-C119 PolarHBondContact O-N 3.04Å; C119-P121 VanDerWaalsContact C-CD 3.49Å; C119-P121 WeakPolarHBondContact O-CD 3.39Å
120S33.3Very low48.7Very low90 Ų90131.8 Ų131.863%0.62969%0.692SS**  trans-98.690.1172.7-63.60000110.6R116 T122R116-S120 PolarHBondContact O-OG 3.4Å; S120-T122 PolarHBondContact O-N 2.88Å
121P38.1Very low45.8Very low108 Ų108136 Ų13670%0.70171%0.712SS**  trans-66.8121.9163.727.8-29.1000107.6C119 S123C119-P121 VanDerWaalsContact C-CD 3.49Å; C119-P121 WeakPolarHBondContact O-CD 3.39Å; P121-S123 VanDerWaalsContact C-N 3.33Å; P121-S123 PolarHBondContact O-N 2.78Å
122T32Very low43Very low148 Ų148138.2 Ų138.291%0.90873%0.729SS**  trans-4490.1171.222.50000111S120S120-T122 PolarHBondContact O-N 2.88Å
123S31.4Very low40.4Very low101 Ų101143 Ų14371%0.70675%0.754SS**  trans-91.9111.9167.331.40000107.2P121 I125P121-S123 VanDerWaalsContact C-N 3.33Å; P121-S123 PolarHBondContact O-N 2.78Å; S123-I125 PolarHBondContact O-N 2.9Å
124Q28.3Very low37.9Very low179 Ų179145 Ų14584%0.83677%0.767SS**  trans-46.5119.1171.2-65.8163.4-19.900109.4
125I30.3Very low35.7Very low162 Ų162144.8 Ų144.883%0.83178%0.782SS**  trans-113.1108.8161.5-63.9177.9000105.2S123S123-I125 PolarHBondContact O-N 2.9Å
126D28.2Very low33.5Very low134 Ų134143.2 Ų143.272%0.71779%0.785SS**  trans-56.5143.6-178.9-72.6-50.9000112.4I128D126-I128 PolarHBondContact O-N 2.84Å
127N27.2Very low31.6Very low170 Ų170139.7 Ų139.791%0.90979%0.786SS**  trans-45.1104.9165.2-90.1-29.5000111
128I28Very low30.4Very low163 Ų163138 Ų13884%0.83678%0.784SS**  trans-97.1118.1158.6-64.7177.2000106.5D126D126-I128 PolarHBondContact O-N 2.84Å
129G27.4Very low29.3Very low62 Ų62140.1 Ų140.164%0.63979%0.789SS**  trans-52.1141.2-17000000113.9E131G129-E131 PolarHBondContact O-N 2.75Å
130E26.4Very low29.9Very low193 Ų193141.3 Ų141.390%0.90278%0.784SS**  trans-60.998.5163.7-62.5176.3161.900107.6E132E130-E132 PolarHBondContact O-N 3.01Å; E130-E132 VanDerWaalsContact O-N 3.09Å
131E25.1Very low31Very low189 Ų189146.4 Ų146.488%0.88380%0.795SS**  trans-64.8106.8163.6-76-175.5161.100107.4G129 M133G129-E131 PolarHBondContact O-N 2.75Å; E131-M133 VanDerWaalsContact C-N 3.3Å; E131-M133 PolarHBondContact O-N 3.33Å
132E26.1Very low32.8Very low193 Ų193150.5 Ų150.590%0.90280%0.796SS**  trans-54.596165.3-74.9-176.5143.600108.4E130 D134E130-E132 PolarHBondContact O-N 3.01Å; E130-E132 VanDerWaalsContact O-N 3.09Å; E132-D134 PolarHBondContact O-N 3.14Å
133M27.8Very low35.3Very low185 Ų185145.6 Ų145.691%0.91176%0.762SS**  trans-70.8103.5176.3-162.9173.769.200108.5E131 A135E131-M133 VanDerWaalsContact C-N 3.3Å; E131-M133 PolarHBondContact O-N 3.33Å; M133-A135 PolarHBondContact O-N 3.27Å
134D25.4Very low37.9Very low134 Ų134143.4 Ų143.472%0.71774%0.744SS**  trans-36.8121.3-179.5-156.4-10.7000113.3E132 S136E132-D134 PolarHBondContact O-N 3.14Å; D134-S136 PolarHBondContact O-N 3.47Å
135A27.4Very low40.4Very low94 Ų94136 Ų13678%0.77771%0.71SS**  trans-73.163.9-179.100000111.1M133 T137M133-A135 PolarHBondContact O-N 3.27Å; A135-T137 PolarHBondContact O-N 2.97Å
136S27Very low43.1Very low97 Ų97134.3 Ų134.368%0.67870%0.703SS**  trans-94.159174.6-66.90000111.2D134D134-S136 PolarHBondContact O-N 3.47Å
137T30.3Very low46.1Very low125 Ų125130.5 Ų130.577%0.76768%0.682SS**  trans-122.299.2165.231.70000109.8A135 H139A135-T137 PolarHBondContact O-N 2.97Å; T137-H139 PolarHBondContact O-N 2.91Å
138T28.8Very low49.1Very low112 Ų112122.5 Ų122.569%0.68764%0.64SS**  trans-13.5120162.945.20000113.7H140T138-H140 PolarHBondContact O-N 2.87Å
139H30.7Very low51.9Low197 Ų197116.9 Ų116.991%0.91261%0.611SS**  trans-52.765.2-179.7-72.5-75.2000115.2T137 K141T137-H139 PolarHBondContact O-N 2.91Å; H139-K141 PolarHBondContact O-N 2.91Å; H139-K141 VanDerWaalsContact O-N 3.15Å
140H48Very low54.9Low131 Ų131116.9 Ų116.961%0.60659%0.592SS**  trans-70.2107.9157.9-69.3-52.8000106.5T138 R142T138-H140 PolarHBondContact O-N 2.87Å; H140-R142 PolarHBondContact O-N 2.83Å
141K56.7Low57.8Low198 Ų198110.9 Ų110.986%0.86157%0.566SS**  trans-45117.7173-88-176.5175.2179.10108.7H139 K143H139-K141 PolarHBondContact O-N 2.91Å; H139-K141 VanDerWaalsContact O-N 3.15Å; K141-K143 PolarHBondContact O-N 3.04Å
142R76.6Confident60.8Low193 Ų193105.6 Ų105.673%0.72854%0.54SS*.  trans-55.7120.6179.7-170.6173.374.4172.43.1109H140H140-R142 PolarHBondContact O-N 2.83Å
143K83.1Confident63.7Low45 Ų4596.6 Ų96.620%0.19650%0.498CS..  trans-66.2146.5178.4-68.1-62.8-167.2170.70111.2K141 D147 E167 Y213 F215K141-K143 PolarHBondContact O-N 3.04Å; K143-D147 HydrophobicContact CD-CB 4.36Å; K143-E167 VanDerWaalsContact CE-OE1 3.32Å; K143-E167 WeakPolarHBondContact CE-OE1 3.18Å; K143-E167 IonicContact NZ-OE1 2.65Å; K143-E167 PolarHBondContact NZ-OE1 2.9Å; K143-Y213 HydrophobicContact CG-CD1 3.88Å; K143-Y213 HydrophobicContact CG-CD2 4.46Å; K143-Y213 HydrophobicContact CG-CE1 4.13Å; K143-Y213 HydrophobicContact CG-CG 4.08Å; K143-F215 HydrophobicContact CB-CD1 4.03Å; K143-F215 HydrophobicContact CB-CE1 4.38Å; K143-F215 WeakPolarHBondContact O-CG 3.37Å
144T86.9Confident66.4Low55 Ų5588.3 Ų88.334%0.33746%0.458SS..  trans-137.9168.1-178.968.50000110.7N146 D147 F148T144-N146 PolarHBondContact O-N 3.31Å; T144-N146 VanDerWaalsContact O-N 3.12Å; T144-N146 PolarHBondContact OG1-N 2.85Å; T144-D147 PolarHBondContact N-OD2 3.29Å; T144-D147 WeakPolarHBondContact O-CB 3.29Å; T144-D147 PolarHBondContact O-N 3.5Å; T144-D147 VanDerWaalsContact O-N 3.13Å; T144-D147 PolarHBondContact OG1-OD2 3.13Å; T144-F148 VanDerWaalsContact O-CD2 3.28Å; T144-F148 WeakPolarHBondContact O-CD2 3.43Å; T144-F148 WeakPolarHBondContact O-CE2 3.45Å
145M81.5Confident69.1Low23 Ų2382.7 Ų82.711%0.11343%0.431CS..G310 helixtrans-54.7-27.7172.6-68.3-60.1-84.200113.3D147 Y150 M176 I178 F215 T217 C222 I446M145-D147 VanDerWaalsContact C-N 3.29Å; M145-D147 PolarHBondContact O-N 3.1Å; M145-Y150 VanDerWaalsContact CA-OH 3.29Å; M145-Y150 WeakPolarHBondContact CA-OH 3.49Å; M145-Y150 VanDerWaalsContact CB-OH 3.24Å; M145-Y150 WeakPolarHBondContact CB-OH 3.33Å; M145-Y150 HydrophobicContact CE-CE1 3.76Å; M145-Y150 WeakPolarHBondContact CE-OH 3.42Å; M145-Y150 PolarHBondContact O-OH 3.28Å; M145-Y150 PolarHBondContact SD-OH 2.99Å; M145-Y150 VanDerWaalsContact SD-OH 3.36Å; M145-M176 HydrophobicContact CE-SD 3.91Å; M145-M176 HydrophobicContact SD-CE 4.28Å; M145-M176 HydrophobicContact SD-SD 3.59Å; M145-I178 HydrophobicContact CE-CD1 3.57Å; M145-I178 HydrophobicContact CE-CG1 4.16Å; M145-F215 HydrophobicContact CG-CE2 3.84Å; M145-F215 HydrophobicContact CG-CZ 4.46Å; M145-F215 HydrophobicContact SD-CE2 3.63Å; M145-F215 HydrophobicContact SD-CZ 3.86Å; M145-T217 HydrophobicContact CG-CG2 3.76Å; M145-C222 HydrophobicContact SD-CB 4.33Å; M145-C222 PolarHBondContact SD-SG 2.69Å; M145-I446 HydrophobicContact CE-CD1 3.96Å
146N87Confident71.6Confident128 Ų12885 Ų8568%0.68442%0.424SS*.G310 helixtrans-77.7-13.7-176.8-68.4-21.1000113.4T144 F148 K168T144-N146 PolarHBondContact O-N 3.31Å; T144-N146 VanDerWaalsContact O-N 3.12Å; T144-N146 PolarHBondContact OG1-N 2.85Å; N146-F148 PolarHBondContact O-N 3.43Å; N146-K168 WeakPolarHBondContact O-CD 3.31Å; N146-K168 WeakPolarHBondContact O-CE 3.49Å; N146-K168 PolarHBondContact O-NZ 3.38Å
147D89.9Confident73.7Confident53 Ų5382.7 Ų82.728%0.28342%0.415SS..G310 helixtrans-78.9-1178.9-61.9-60.7000112.9K143 T144 M145 K168K143-D147 HydrophobicContact CD-CB 4.36Å; T144-D147 PolarHBondContact N-OD2 3.29Å; T144-D147 WeakPolarHBondContact O-CB 3.29Å; T144-D147 PolarHBondContact O-N 3.5Å; T144-D147 VanDerWaalsContact O-N 3.13Å; T144-D147 PolarHBondContact OG1-OD2 3.13Å; M145-D147 VanDerWaalsContact C-N 3.29Å; M145-D147 PolarHBondContact O-N 3.1Å; D147-K168 WeakPolarHBondContact O-CB 3.42Å; D147-K168 WeakPolarHBondContact O-CG 3.45Å; D147-K168 PolarHBondContact O-N 3.23Å
148F90.2Very high75.6Confident3 Ų381.5 Ų81.51%0.01341%0.408CS..EExtended strand (participates in β ladder)trans-127.3142-172.9-59.6-87000111.8T144 N146 V165 R166 E167 Y174 M176 Y213 F215 V224T144-F148 VanDerWaalsContact O-CD2 3.28Å; T144-F148 WeakPolarHBondContact O-CD2 3.43Å; T144-F148 WeakPolarHBondContact O-CE2 3.45Å; N146-F148 PolarHBondContact O-N 3.43Å; F148-V165 HydrophobicContact CB-CB 4.11Å; F148-V165 HydrophobicContact CB-CG1 4.5Å; F148-V165 HydrophobicContact CB-CG2 4.48Å; F148-V165 HydrophobicContact CD1-CB 4.32Å; F148-V165 HydrophobicContact CD1-CG2 3.83Å; F148-V165 HydrophobicContact CG-CG2 4.39Å; F148-R166 CarbonylContact C-O 3.6Å; F148-R166 VanDerWaalsContact CA-O 3.31Å; F148-R166 WeakPolarHBondContact CA-O 3.49Å; F148-E167 HydrophobicContact CD1-CB 4.04Å; F148-E167 HydrophobicContact CE1-CB 3.86Å; F148-E167 HydrophobicContact CE1-CG 4.19Å; F148-Y174 HydrophobicContact CE1-CD2 4.42Å; F148-M176 HydrophobicContact CB-CE 3.95Å; F148-M176 HydrophobicContact CD1-CE 4.14Å; F148-M176 HydrophobicContact CD2-CE 3.46Å; F148-M176 VanDerWaalsContact CD2-CE 3.46Å; F148-M176 HydrophobicContact CE2-CE 3.98Å; F148-M176 HydrophobicContact CG-CE 3.57Å; F148-Y213 HydrophobicContact CE1-CD2 4.36Å; F148-Y213 HydrophobicContact CE1-CE2 4.4Å; F148-Y213 AromaticContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CE2 4.08Å; F148-F215 HydrophobicContact CD2-CZ 4.5Å; F148-F215 AromaticContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CZ 4.15Å; F148-V224 HydrophobicContact CE1-CG1 3.94Å; F148-V224 HydrophobicContact CE1-CG2 4.35Å; F148-V224 HydrophobicContact CE2-CG2 4.29Å; F148-V224 HydrophobicContact CZ-CG1 4.2Å; F148-V224 HydrophobicContact CZ-CG2 3.93Å
149D88.3Confident77.7Confident44 Ų4478.7 Ų78.724%0.23539%0.386CS..EExtended strand (participates in β ladder)trans-91.7131.7165.2-61.4-40.8000109L151 V165 R166 K168D149-L151 HydrophobicContact CB-CD2 4.4Å; D149-V165 CarbonylContact O-C 3.5Å; D149-V165 WeakPolarHBondContact O-CA 3.35Å; D149-V165 WeakPolarHBondContact O-CB 3.5Å; D149-R166 HydrophobicContact CB-CB 4.36Å; D149-R166 PolarHBondContact N-O 3.5Å; D149-R166 PolarHBondContact O-N 3.45Å; D149-R166 IonicContact OD2-CZ 3.38Å; D149-R166 IonicContact OD2-NE 3.18Å; D149-R166 PolarHBondContact OD2-NE 2.83Å; D149-R166 IonicContact OD2-NH2 2.73Å; D149-R166 PolarHBondContact OD2-NH2 3.43Å; D149-K168 WeakPolarHBondContact OD1-CE 3.34Å; D149-K168 IonicContact OD1-NZ 3.38Å
150Y89.6Confident80.2Confident63 Ų6370 Ų7025%0.24735%0.35CS..EExtended strand (participates in β ladder)trans-94.2119.4-179-58.2-92.8000109.7M145 I163 V165 M176 I178 I446M145-Y150 VanDerWaalsContact CA-OH 3.29Å; M145-Y150 WeakPolarHBondContact CA-OH 3.49Å; M145-Y150 VanDerWaalsContact CB-OH 3.24Å; M145-Y150 WeakPolarHBondContact CB-OH 3.33Å; M145-Y150 HydrophobicContact CE-CE1 3.76Å; M145-Y150 WeakPolarHBondContact CE-OH 3.42Å; M145-Y150 PolarHBondContact O-OH 3.28Å; M145-Y150 PolarHBondContact SD-OH 2.99Å; M145-Y150 VanDerWaalsContact SD-OH 3.36Å; Y150-I163 HydrophobicContact CD1-CD1 4.21Å; Y150-I163 HydrophobicContact CD1-CG2 4.08Å; Y150-V165 HydrophobicContact CD1-CG1 3.74Å; Y150-V165 HydrophobicContact CE1-CG1 4.05Å; Y150-V165 HydrophobicContact CG-CG1 4.43Å; Y150-M176 HydrophobicContact CE1-CE 4.45Å; Y150-M176 HydrophobicContact CE1-SD 3.88Å; Y150-I178 HydrophobicContact CE1-CD1 4.32Å; Y150-I446 HydrophobicContact CD1-CD1 3.8Å; Y150-I446 HydrophobicContact CD2-CD1 4.38Å; Y150-I446 HydrophobicContact CE1-CD1 3.56Å; Y150-I446 HydrophobicContact CE2-CD1 4.2Å; Y150-I446 HydrophobicContact CG-CD1 4.22Å
151L87.9Confident82Confident67 Ų6766.2 Ų66.235%0.35133%0.332SS..EExtended strand (participates in β ladder)trans-107-61.5-168-57.4178.2000112.9D149 L164 R166 Y173 T430 I444D149-L151 HydrophobicContact CB-CD2 4.4Å; L151-L164 HydrophobicContact CB-CD2 4.43Å; L151-L164 HydrophobicContact CB-CG 4.26Å; L151-L164 WeakPolarHBondContact CB-O 3.33Å; L151-L164 HydrophobicContact CD1-CG 4.29Å; L151-L164 PolarHBondContact N-O 3.19Å; L151-R166 HydrophobicContact CD1-CB 3.99Å; L151-Y173 HydrophobicContact CD1-CD1 3.68Å; L151-Y173 HydrophobicContact CD1-CE1 3.41Å; L151-Y173 VanDerWaalsContact CD1-CE1 3.41Å; L151-T430 HydrophobicContact CD1-CG2 4.41Å; L151-I444 WeakPolarHBondContact O-CD1 3.43Å
152K87.4Confident83.6Confident78 Ų7858.8 Ų58.834%0.33930%0.303SS..EExtended strand (participates in β ladder)trans-138.1143.2-179.4-70.5-174173.8-166.10112.4L154 I163 L164 T432K152-L154 PolarHBondContact O-N 3.06Å; K152-I163 CarbonylContact O-C 3.59Å; K152-I163 WeakPolarHBondContact O-CA 3.41Å; K152-I163 VanDerWaalsContact O-CG2 3.32Å; K152-I163 WeakPolarHBondContact O-CG2 3.37Å; K152-L164 HydrophobicContact CB-CB 4.32Å; K152-L164 PolarHBondContact N-O 2.91Å; K152-L164 PolarHBondContact O-N 2.76Å; K152-T432 HydrophobicContact CB-CG2 4.44Å; K152-T432 HydrophobicContact CD-CG2 3.53Å; K152-T432 PolarHBondContact NZ-OG1 3.13Å
153L86.6Confident84.3Confident3 Ų349.7 Ų49.72%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-74.9122.4167.9-178.568.9000108.3G155 K161 I163 F439 T440 Q442 I444L153-G155 WeakPolarHBondContact CD1-O 3.19Å; L153-K161 HydrophobicContact CD1-CB 3.82Å; L153-K161 HydrophobicContact CD1-CD 4Å; L153-K161 HydrophobicContact CD1-CG 4.1Å; L153-I163 HydrophobicContact CD1-CG1 4.1Å; L153-F439 HydrophobicContact CD2-CB 4.38Å; L153-F439 HydrophobicContact CD2-CD1 4.5Å; L153-F439 HydrophobicContact CG-CB 4.29Å; L153-F439 CarbonylContact O-C 3.58Å; L153-T440 WeakPolarHBondContact O-CA 3.3Å; L153-T440 PolarHBondContact O-N 2.97Å; L153-Q442 HydrophobicContact CD2-CB 4.2Å; L153-I444 HydrophobicContact CB-CG1 4.43Å
154L85.1Confident84.7Confident12 Ų1247.6 Ų47.66%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-94.6-31.2-179.9-62.5177.7000111.8K152 V162 L164 A175 Y227 T432 F435K152-L154 PolarHBondContact O-N 3.06Å; L154-V162 HydrophobicContact CB-CG1 4.33Å; L154-V162 HydrophobicContact CD1-CG1 4.37Å; L154-V162 PolarHBondContact N-O 2.88Å; L154-L164 HydrophobicContact CD1-CB 3.97Å; L154-L164 HydrophobicContact CD2-CB 4.03Å; L154-L164 HydrophobicContact CG-CB 3.96Å; L154-A175 HydrophobicContact CD1-CB 4.27Å; L154-Y227 HydrophobicContact CD1-CD2 3.81Å; L154-Y227 HydrophobicContact CD1-CE2 3.53Å; L154-Y227 HydrophobicContact CD2-CE2 4.02Å; L154-Y227 HydrophobicContact CG-CE2 4.44Å; L154-T432 HydrophobicContact CD2-CG2 4Å; L154-F435 HydrophobicContact CB-CD1 3.91Å; L154-F435 HydrophobicContact CB-CE1 3.91Å; L154-F435 HydrophobicContact CD1-CE1 4.21Å; L154-F435 HydrophobicContact CD1-CZ 4.34Å; L154-F435 HydrophobicContact CD2-CD1 3.83Å; L154-F435 HydrophobicContact CD2-CD2 4.12Å; L154-F435 HydrophobicContact CD2-CE1 3.89Å; L154-F435 HydrophobicContact CD2-CE2 4.17Å; L154-F435 HydrophobicContact CD2-CG 3.95Å; L154-F435 HydrophobicContact CD2-CZ 4.05Å; L154-F435 HydrophobicContact CG-CD1 4.39Å; L154-F435 HydrophobicContact CG-CE1 4.22Å
155G83.1Confident85.1Confident16 Ų1645 Ų4517%0.16524%0.244CC..EExtended strand (participates in β ladder)trans-171.9163.617900000112.9L153 V162L153-G155 WeakPolarHBondContact CD1-O 3.19Å; G155-V162 PolarHBondContact N-O 3.15Å; G155-V162 PolarHBondContact O-N 3.16Å
156K78Confident85.7Confident143 Ų14348.5 Ų48.562%0.62226%0.256SS*.EExtended strand (participates in β ladder)trans-132.4114.6178.2-176.2-176.4175.5-1700109.3K161 F439K156-K161 HydrophobicContact CG-CG 4.43Å; K156-F439 HydrophobicContact CB-CD1 4.47Å; K156-F439 HydrophobicContact CB-CE1 4.23Å
157G71.8Confident86Confident48 Ų4842.7 Ų42.750%0.49523%0.225SC..  trans-101.1-178.5177.100000112.5F159 G160G157-F159 VanDerWaalsContact C-N 3.27Å; G157-F159 PolarHBondContact O-N 3.23Å; G157-G160 PolarHBondContact N-O 3.04Å; G157-G160 PolarHBondContact O-N 3.34Å
158T71.1Confident86.2Confident99 Ų9945.7 Ų45.761%0.60724%0.235SC*.SBendtrans-60.8-34.1178.752.50000113.3
159F73.2Confident86.3Confident53 Ų5349.9 Ų49.923%0.23227%0.27CS..SBendtrans-99.3-12.5-175.4-58.9-73.4000113.8G157 L179 K180 V183 I184 K187 E189G157-F159 VanDerWaalsContact C-N 3.27Å; G157-F159 PolarHBondContact O-N 3.23Å; F159-L179 HydrophobicContact CB-CD2 3.77Å; F159-K180 PolarHBondContact O-N 2.98Å; F159-V183 HydrophobicContact CD1-CG1 4.11Å; F159-I184 HydrophobicContact CD1-CG1 4.22Å; F159-K187 HydrophobicContact CD1-CD 4.43Å; F159-K187 HydrophobicContact CE1-CB 4.19Å; F159-K187 HydrophobicContact CE1-CD 3.71Å; F159-K187 HydrophobicContact CZ-CD 4.32Å; F159-E189 HydrophobicContact CE1-CB 3.93Å; F159-E189 HydrophobicContact CE1-CG 3.72Å; F159-E189 HydrophobicContact CZ-CB 4.16Å; F159-E189 HydrophobicContact CZ-CG 3.67Å
160G82.1Confident86.5Confident16 Ų1650.6 Ų50.617%0.16528%0.279CS..EExtended strand (participates in β ladder)trans170.2-158.6-168.400000116.8G157 I178G157-G160 PolarHBondContact N-O 3.04Å; G157-G160 PolarHBondContact O-N 3.34Å; G160-I178 WeakPolarHBondContact CA-O 3.44Å
161K85.7Confident86.6Confident51 Ų5149.2 Ų49.222%0.22228%0.284CS..EExtended strand (participates in β ladder)trans-126.6146-174.5-64.8-177.5-178.5-174.20110.1L153 K156 I163 I178 T445L153-K161 HydrophobicContact CD1-CB 3.82Å; L153-K161 HydrophobicContact CD1-CD 4Å; L153-K161 HydrophobicContact CD1-CG 4.1Å; K156-K161 HydrophobicContact CG-CG 4.43Å; K161-I163 HydrophobicContact CB-CG1 4.29Å; K161-I178 PolarHBondContact N-O 3.35Å; K161-I178 PolarHBondContact O-N 2.96Å; K161-T445 PolarHBondContact NZ-O 3.09Å
162V90.5Very high86.9Confident42 Ų4250 Ų5026%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-109.2123.3169.7-174.40000108L154 G155 A175 M176 K177L154-V162 HydrophobicContact CB-CG1 4.33Å; L154-V162 HydrophobicContact CD1-CG1 4.37Å; L154-V162 PolarHBondContact N-O 2.88Å; G155-V162 PolarHBondContact N-O 3.15Å; G155-V162 PolarHBondContact O-N 3.16Å; V162-A175 HydrophobicContact CG1-CB 4.19Å; V162-M176 WeakPolarHBondContact CA-O 3.34Å; V162-K177 HydrophobicContact CG2-CB 4.24Å; V162-K177 HydrophobicContact CG2-CG 4.17Å
163I90.5Very high87.3Confident1 Ų149.2 Ų49.21%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-125.1133.1-172.2-51.8-178000109.5Y150 K152 L153 K161 V165 M176 I178 I444 I446Y150-I163 HydrophobicContact CD1-CD1 4.21Å; Y150-I163 HydrophobicContact CD1-CG2 4.08Å; K152-I163 CarbonylContact O-C 3.59Å; K152-I163 WeakPolarHBondContact O-CA 3.41Å; K152-I163 VanDerWaalsContact O-CG2 3.32Å; K152-I163 WeakPolarHBondContact O-CG2 3.37Å; L153-I163 HydrophobicContact CD1-CG1 4.1Å; K161-I163 HydrophobicContact CB-CG1 4.29Å; I163-V165 HydrophobicContact CB-CG1 4.38Å; I163-V165 HydrophobicContact CG2-CG1 4.18Å; I163-V165 PolarHBondContact O-N 2.69Å; I163-M176 PolarHBondContact N-O 3.08Å; I163-M176 PolarHBondContact O-N 3.06Å; I163-I178 HydrophobicContact CD1-CD1 3.62Å; I163-I178 HydrophobicContact CG1-CD1 4.29Å; I163-I444 HydrophobicContact CD1-CG2 3.85Å; I163-I444 HydrophobicContact CG2-CD1 3.69Å; I163-I444 HydrophobicContact CG2-CG1 4.36Å; I163-I446 HydrophobicContact CD1-CG1 4.49Å
164L93.2Very high87.7Confident1 Ų149.9 Ų49.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-68.6119.916617759.7000108.7L151 K152 L154 Y173 Y227 T432L151-L164 HydrophobicContact CB-CD2 4.43Å; L151-L164 HydrophobicContact CB-CG 4.26Å; L151-L164 WeakPolarHBondContact CB-O 3.33Å; L151-L164 HydrophobicContact CD1-CG 4.29Å; L151-L164 PolarHBondContact N-O 3.19Å; K152-L164 HydrophobicContact CB-CB 4.32Å; K152-L164 PolarHBondContact N-O 2.91Å; K152-L164 PolarHBondContact O-N 2.76Å; L154-L164 HydrophobicContact CD1-CB 3.97Å; L154-L164 HydrophobicContact CD2-CB 4.03Å; L154-L164 HydrophobicContact CG-CB 3.96Å; L164-Y173 HydrophobicContact CD1-CD1 4.37Å; L164-Y227 HydrophobicContact CD1-CD1 3.58Å; L164-Y227 HydrophobicContact CD1-CD2 3.95Å; L164-Y227 HydrophobicContact CD1-CE1 3.73Å; L164-Y227 HydrophobicContact CD1-CE2 4.12Å; L164-Y227 HydrophobicContact CD1-CG 3.69Å; L164-Y227 HydrophobicContact CD2-CE1 4.25Å; L164-T432 HydrophobicContact CD2-CG2 4.2Å
165V93.7Very high88.1Confident0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-123.4152.6179.8-61.30000111.2F148 D149 Y150 I163 Y173 Y174 M176F148-V165 HydrophobicContact CB-CB 4.11Å; F148-V165 HydrophobicContact CB-CG1 4.5Å; F148-V165 HydrophobicContact CB-CG2 4.48Å; F148-V165 HydrophobicContact CD1-CB 4.32Å; F148-V165 HydrophobicContact CD1-CG2 3.83Å; F148-V165 HydrophobicContact CG-CG2 4.39Å; D149-V165 CarbonylContact O-C 3.5Å; D149-V165 WeakPolarHBondContact O-CA 3.35Å; D149-V165 WeakPolarHBondContact O-CB 3.5Å; Y150-V165 HydrophobicContact CD1-CG1 3.74Å; Y150-V165 HydrophobicContact CE1-CG1 4.05Å; Y150-V165 HydrophobicContact CG-CG1 4.43Å; I163-V165 HydrophobicContact CB-CG1 4.38Å; I163-V165 HydrophobicContact CG2-CG1 4.18Å; I163-V165 PolarHBondContact O-N 2.69Å; V165-Y173 CarbonylContact O-C 3.57Å; V165-Y173 VanDerWaalsContact O-CA 3.32Å; V165-Y173 WeakPolarHBondContact O-CA 3.37Å; V165-Y174 WeakPolarHBondContact CG2-O 3.45Å; V165-Y174 PolarHBondContact N-O 3.33Å; V165-Y174 PolarHBondContact O-N 2.89Å; V165-M176 HydrophobicContact CG1-CB 3.78Å; V165-M176 HydrophobicContact CG1-CE 4.15Å; V165-M176 HydrophobicContact CG1-SD 4.35Å; V165-M176 HydrophobicContact CG2-CB 3.9Å; V165-M176 HydrophobicContact CG2-CE 4.2Å
166R93.9Very high88.6Confident97 Ų9749 Ų4937%0.36628%0.275SS..EExtended strand (participates in β ladder)trans-111126168.2-179.2-178.467.9-178.31.5109.3F148 D149 L151 K168 G171 K172 Y173F148-R166 CarbonylContact C-O 3.6Å; F148-R166 VanDerWaalsContact CA-O 3.31Å; F148-R166 WeakPolarHBondContact CA-O 3.49Å; D149-R166 HydrophobicContact CB-CB 4.36Å; D149-R166 PolarHBondContact N-O 3.5Å; D149-R166 PolarHBondContact O-N 3.45Å; D149-R166 IonicContact OD2-CZ 3.38Å; D149-R166 IonicContact OD2-NE 3.18Å; D149-R166 PolarHBondContact OD2-NE 2.83Å; D149-R166 IonicContact OD2-NH2 2.73Å; D149-R166 PolarHBondContact OD2-NH2 3.43Å; L151-R166 HydrophobicContact CD1-CB 3.99Å; R166-K168 PolarHBondContact O-N 3Å; R166-G171 WeakPolarHBondContact CG-O 3.36Å; R166-K172 WeakPolarHBondContact CA-O 3.39Å; R166-Y173 HydrophobicContact CB-CD1 3.97Å; R166-Y173 HydrophobicContact CB-CE1 3.9Å; R166-Y173 HydrophobicContact CG-CD1 4.38Å; R166-Y173 HydrophobicContact CG-CE1 4.11Å
167E95.2Very high89.3Confident7 Ų743.5 Ų43.53%0.03325%0.251CS..EExtended strand (participates in β ladder)trans-69.8121.4172.5178.1176.2-149.100109.7K143 F148 A169 S170 G171 K172 Y174 Y213K143-E167 VanDerWaalsContact CE-OE1 3.32Å; K143-E167 WeakPolarHBondContact CE-OE1 3.18Å; K143-E167 IonicContact NZ-OE1 2.65Å; K143-E167 PolarHBondContact NZ-OE1 2.9Å; F148-E167 HydrophobicContact CD1-CB 4.04Å; F148-E167 HydrophobicContact CE1-CB 3.86Å; F148-E167 HydrophobicContact CE1-CG 4.19Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 HydrophobicContact CG-CB 4.47Å; E167-A169 PolarHBondContact O-N 2.93Å; E167-S170 WeakPolarHBondContact CB-OG 3.43Å; E167-S170 VanDerWaalsContact CD-OG 3.3Å; E167-S170 WeakPolarHBondContact CG-OG 3.34Å; E167-S170 PolarHBondContact O-N 3.1Å; E167-S170 WeakPolarHBondContact OE2-CB 3.42Å; E167-S170 PolarHBondContact OE2-OG 3.41Å; E167-G171 VanDerWaalsContact O-CA 3.3Å; E167-G171 WeakPolarHBondContact O-CA 3.48Å; E167-G171 PolarHBondContact O-N 3.02Å; E167-K172 PolarHBondContact N-O 3.45Å; E167-Y174 HydrophobicContact CB-CD2 4.19Å; E167-Y174 HydrophobicContact CB-CE2 3.84Å; E167-Y213 PolarHBondContact OE1-OH 3.46Å; E167-Y213 PolarHBondContact OE2-OH 3.02Å
168K93.4Very high90.2Very high115 Ų11541.4 Ų41.450%0.523%0.228SC..THydrogen-bonded Turntrans-61.4-36.6-175-69.4174.7177.81720113.1N146 D147 D149 R166N146-K168 WeakPolarHBondContact O-CD 3.31Å; N146-K168 WeakPolarHBondContact O-CE 3.49Å; N146-K168 PolarHBondContact O-NZ 3.38Å; D147-K168 WeakPolarHBondContact O-CB 3.42Å; D147-K168 WeakPolarHBondContact O-CG 3.45Å; D147-K168 PolarHBondContact O-N 3.23Å; D149-K168 WeakPolarHBondContact OD1-CE 3.34Å; D149-K168 IonicContact OD1-NZ 3.38Å; R166-K168 PolarHBondContact O-N 3Å
169A92.2Very high91.1Very high91 Ų9137 Ų3775%0.75220%0.201SC*.THydrogen-bonded Turntrans-74.5-36.8-175.300000113.3E167E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 HydrophobicContact CG-CB 4.47Å; E167-A169 PolarHBondContact O-N 2.93Å
170S92.3Very high91.7Very high59 Ų5937.5 Ų37.541%0.41320%0.203SC..THydrogen-bonded Turntrans-107.2-18.3-174.167.80000113.5E167 K172E167-S170 WeakPolarHBondContact CB-OG 3.43Å; E167-S170 VanDerWaalsContact CD-OG 3.3Å; E167-S170 WeakPolarHBondContact CG-OG 3.34Å; E167-S170 PolarHBondContact O-N 3.1Å; E167-S170 WeakPolarHBondContact OE2-CB 3.42Å; E167-S170 PolarHBondContact OE2-OG 3.41Å; S170-K172 PolarHBondContact O-N 3.23Å; S170-K172 WeakPolarHBondContact OG-CB 3.44Å; S170-K172 PolarHBondContact OG-N 2.83Å
171G92Very high91.9Very high34 Ų3438.2 Ų38.235%0.35120%0.202SC..  trans72.8-2.5-17000000114.4R166 E167R166-G171 WeakPolarHBondContact CG-O 3.36Å; E167-G171 VanDerWaalsContact O-CA 3.3Å; E167-G171 WeakPolarHBondContact O-CA 3.48Å; E167-G171 PolarHBondContact O-N 3.02Å
172K94.5Very high91.8Very high84 Ų8441 Ų4137%0.36522%0.216SC..  trans-73.4146.2-177.9-65.6-166.6-178.9-166.40111.8R166 E167 S170 Y174 E479R166-K172 WeakPolarHBondContact CA-O 3.39Å; E167-K172 PolarHBondContact N-O 3.45Å; S170-K172 PolarHBondContact O-N 3.23Å; S170-K172 WeakPolarHBondContact OG-CB 3.44Å; S170-K172 PolarHBondContact OG-N 2.83Å; K172-Y174 HydrophobicContact CB-CE2 3.78Å; K172-E479 IonicContact NZ-OE1 2.63Å; K172-E479 PolarHBondContact NZ-OE1 3.47Å; K172-E479 IonicContact NZ-OE2 2.95Å; K172-E479 PolarHBondContact NZ-OE2 2.93Å
173Y94.6Very high91.2Very high61 Ų6140.7 Ų40.724%0.23921%0.213CC..EExtended strand (participates in β ladder)trans-93.9143179.3-61.2-85.8000112.1L151 L164 V165 R166 E429 T430L151-Y173 HydrophobicContact CD1-CD1 3.68Å; L151-Y173 HydrophobicContact CD1-CE1 3.41Å; L151-Y173 VanDerWaalsContact CD1-CE1 3.41Å; L164-Y173 HydrophobicContact CD1-CD1 4.37Å; V165-Y173 CarbonylContact O-C 3.57Å; V165-Y173 VanDerWaalsContact O-CA 3.32Å; V165-Y173 WeakPolarHBondContact O-CA 3.37Å; R166-Y173 HydrophobicContact CB-CD1 3.97Å; R166-Y173 HydrophobicContact CB-CE1 3.9Å; R166-Y173 HydrophobicContact CG-CD1 4.38Å; R166-Y173 HydrophobicContact CG-CE1 4.11Å; Y173-E429 HydrophobicContact CD2-CB 3.81Å; Y173-E429 VanDerWaalsContact CD2-OE2 3.28Å; Y173-E429 WeakPolarHBondContact CD2-OE2 3.15Å; Y173-E429 HydrophobicContact CE2-CB 4Å; Y173-E429 WeakPolarHBondContact CE2-OE2 3.3Å; Y173-T430 HydrophobicContact CD1-CG2 3.66Å; Y173-T430 HydrophobicContact CD2-CG2 4.48Å; Y173-T430 HydrophobicContact CE1-CG2 3.11Å; Y173-T430 HydrophobicContact CE2-CG2 4.06Å; Y173-T430 HydrophobicContact CG-CG2 4.31Å
174Y95.6Very high90.5Very high18 Ų1840.6 Ų40.67%0.07121%0.213CC..EExtended strand (participates in β ladder)trans-144158.5-178.9-61.5-79000111.1F148 V165 E167 K172 K212 V224 M225F148-Y174 HydrophobicContact CE1-CD2 4.42Å; V165-Y174 WeakPolarHBondContact CG2-O 3.45Å; V165-Y174 PolarHBondContact N-O 3.33Å; V165-Y174 PolarHBondContact O-N 2.89Å; E167-Y174 HydrophobicContact CB-CD2 4.19Å; E167-Y174 HydrophobicContact CB-CE2 3.84Å; K172-Y174 HydrophobicContact CB-CE2 3.78Å; Y174-K212 HydrophobicContact CD1-CB 4.22Å; Y174-K212 HydrophobicContact CE1-CB 3.85Å; Y174-K212 HydrophobicContact CE1-CD 4.3Å; Y174-K212 HydrophobicContact CE1-CG 3.77Å; Y174-V224 VanDerWaalsContact CB-CG1 3.46Å; Y174-V224 HydrophobicContact CD1-CG1 4.12Å; Y174-V224 HydrophobicContact CD2-CG1 4.07Å; Y174-V224 HydrophobicContact CG-CG1 3.63Å; Y174-M225 CarbonylContact C-O 3.47Å; Y174-M225 WeakPolarHBondContact CA-O 3.26Å; Y174-M225 VanDerWaalsContact CB-O 3.3Å; Y174-M225 WeakPolarHBondContact CB-O 3.26Å
175A94.4Very high89.7Confident9 Ų944.1 Ų44.17%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-94117.5165.900000109.2L154 V162 M225 Y227L154-A175 HydrophobicContact CD1-CB 4.27Å; V162-A175 HydrophobicContact CG1-CB 4.19Å; A175-M225 PolarHBondContact N-O 3.44Å; A175-M225 PolarHBondContact O-N 3.09Å; A175-Y227 HydrophobicContact CB-CD2 4.39Å
176M93.6Very high88.7Confident0 Ų048.4 Ų48.40%027%0.266CS..EExtended strand (participates in β ladder)trans-99.8108.4176.7-172.1-174.7-73.200110.4M145 F148 Y150 V162 I163 V165 I178 F215 F223 V224M145-M176 HydrophobicContact CE-SD 3.91Å; M145-M176 HydrophobicContact SD-CE 4.28Å; M145-M176 HydrophobicContact SD-SD 3.59Å; F148-M176 HydrophobicContact CB-CE 3.95Å; F148-M176 HydrophobicContact CD1-CE 4.14Å; F148-M176 HydrophobicContact CD2-CE 3.46Å; F148-M176 VanDerWaalsContact CD2-CE 3.46Å; F148-M176 HydrophobicContact CE2-CE 3.98Å; F148-M176 HydrophobicContact CG-CE 3.57Å; Y150-M176 HydrophobicContact CE1-CE 4.45Å; Y150-M176 HydrophobicContact CE1-SD 3.88Å; V162-M176 WeakPolarHBondContact CA-O 3.34Å; I163-M176 PolarHBondContact N-O 3.08Å; I163-M176 PolarHBondContact O-N 3.06Å; V165-M176 HydrophobicContact CG1-CB 3.78Å; V165-M176 HydrophobicContact CG1-CE 4.15Å; V165-M176 HydrophobicContact CG1-SD 4.35Å; V165-M176 HydrophobicContact CG2-CB 3.9Å; V165-M176 HydrophobicContact CG2-CE 4.2Å; M176-I178 HydrophobicContact CG-CD1 4.36Å; M176-I178 HydrophobicContact CG-CG1 3.79Å; M176-I178 HydrophobicContact SD-CD1 3.93Å; M176-I178 HydrophobicContact SD-CG1 3.83Å; M176-F215 HydrophobicContact CE-CZ 3.99Å; M176-F223 CarbonylContact C-O 3.57Å; M176-F223 VanDerWaalsContact CA-O 3.28Å; M176-F223 WeakPolarHBondContact CA-O 2.92Å; M176-V224 HydrophobicContact CE-CG2 3.85Å; M176-V224 HydrophobicContact CG-CG2 4.23Å
177K92.3Very high87.8Confident28 Ų2849 Ų4912%0.12227%0.272CS..EExtended strand (participates in β ladder)trans-85.1112.3171-176.3175.3-177.3-177.10108.5V162 L179 E196 C222 F223 M225 D289V162-K177 HydrophobicContact CG2-CB 4.24Å; V162-K177 HydrophobicContact CG2-CG 4.17Å; K177-L179 HydrophobicContact CD-CD2 4.43Å; K177-L179 HydrophobicContact CG-CD2 3.9Å; K177-L179 HydrophobicContact CG-CG 4.33Å; K177-E196 IonicContact NZ-OE1 2.84Å; K177-E196 PolarHBondContact NZ-OE1 3.19Å; K177-E196 IonicContact NZ-OE2 3.4Å; K177-C222 WeakPolarHBondContact O-CA 3.26Å; K177-F223 HydrophobicContact CB-CB 4.3Å; K177-F223 PolarHBondContact N-O 2.87Å; K177-F223 PolarHBondContact O-N 3.21Å; K177-M225 HydrophobicContact CB-CE 3.89Å; K177-M225 HydrophobicContact CD-CE 4.41Å; K177-D289 IonicContact NZ-OD1 2.76Å; K177-D289 PolarHBondContact NZ-OD1 3.42Å
178I90.5Very high86.9Confident4 Ų453.3 Ų53.32%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-109.3113.3-177.7-54167.4000108.4M145 Y150 G160 K161 I163 M176 R220 L221 I446M145-I178 HydrophobicContact CE-CD1 3.57Å; M145-I178 HydrophobicContact CE-CG1 4.16Å; Y150-I178 HydrophobicContact CE1-CD1 4.32Å; G160-I178 WeakPolarHBondContact CA-O 3.44Å; K161-I178 PolarHBondContact N-O 3.35Å; K161-I178 PolarHBondContact O-N 2.96Å; I163-I178 HydrophobicContact CD1-CD1 3.62Å; I163-I178 HydrophobicContact CG1-CD1 4.29Å; M176-I178 HydrophobicContact CG-CD1 4.36Å; M176-I178 HydrophobicContact CG-CG1 3.79Å; M176-I178 HydrophobicContact SD-CD1 3.93Å; M176-I178 HydrophobicContact SD-CG1 3.83Å; I178-R220 HydrophobicContact CG2-CB 4.09Å; I178-R220 HydrophobicContact CG2-CG 4.06Å; I178-L221 WeakPolarHBondContact CA-O 3.22Å; I178-I446 HydrophobicContact CD1-CD1 4.47Å
179L89.7Confident86.2Confident6 Ų650.5 Ų50.53%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-108.2140.1-179.2-49.3177.2000110.6F159 K177 I184 T193 R220 L221 F223F159-L179 HydrophobicContact CB-CD2 3.77Å; K177-L179 HydrophobicContact CD-CD2 4.43Å; K177-L179 HydrophobicContact CG-CD2 3.9Å; K177-L179 HydrophobicContact CG-CG 4.33Å; L179-I184 HydrophobicContact CB-CD1 3.71Å; L179-I184 HydrophobicContact CD1-CD1 4.24Å; L179-T193 HydrophobicContact CD1-CG2 4.12Å; L179-R220 CarbonylContact O-C 3.42Å; L179-R220 WeakPolarHBondContact O-CA 3.41Å; L179-R220 WeakPolarHBondContact O-CB 3.5Å; L179-L221 HydrophobicContact CB-CB 4.4Å; L179-L221 PolarHBondContact N-O 3.34Å; L179-L221 PolarHBondContact O-N 3.42Å; L179-F223 HydrophobicContact CD1-CD2 4.29Å; L179-F223 HydrophobicContact CD1-CE2 3.78Å
180K86Confident85.5Confident64 Ų6447.2 Ų47.228%0.27825%0.254SS..EExtended strand (participates in β ladder)trans-85.7123.9176.7-71175.7146.9-140.10110.6F159 E182 V183 I184F159-K180 PolarHBondContact O-N 2.98Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 HydrophobicContact CB-CG 4.19Å; K180-E182 WeakPolarHBondContact CD-OE1 3.32Å; K180-E182 IonicContact NZ-OE1 2.69Å; K180-E182 PolarHBondContact NZ-OE1 3.02Å; K180-E182 PolarHBondContact O-N 3.39Å; K180-V183 HydrophobicContact CB-CB 4.22Å; K180-V183 HydrophobicContact CB-CG2 3.81Å; K180-V183 HydrophobicContact CD-CG2 3.99Å; K180-V183 PolarHBondContact O-N 3.33Å; K180-I184 WeakPolarHBondContact O-CG1 3.47Å; K180-I184 PolarHBondContact O-N 3.31Å; K180-I184 VanDerWaalsContact O-N 3.15Å
181K85.8Confident84.8Confident30 Ų3047.6 Ų47.613%0.1326%0.261CS..Hα-helixtrans-59.7-41.6179.5-72.2176.8173.31780112V183 I184 I185 T217 K218 D219 L221 F468K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 3.28Å; K181-I184 PolarHBondContact O-N 2.97Å; K181-I185 VanDerWaalsContact O-CG1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.45Å; K181-I185 PolarHBondContact O-N 3.11Å; K181-T217 PolarHBondContact NZ-O 3.4Å; K181-K218 PolarHBondContact NZ-O 3.33Å; K181-D219 WeakPolarHBondContact CB-O 3.2Å; K181-D219 WeakPolarHBondContact CG-O 3.39Å; K181-D219 PolarHBondContact N-O 3.44Å; K181-L221 HydrophobicContact CG-CD2 4.33Å; K181-L221 HydrophobicContact CG-CG 4.06Å; K181-F468 HydrophobicContact CB-CE2 4.43Å; K181-F468 HydrophobicContact CD-CD2 4.29Å; K181-F468 HydrophobicContact CD-CE2 4.39Å; K181-F468 HydrophobicContact CG-CD2 4.33Å; K181-F468 HydrophobicContact CG-CE2 4.03Å
182E83.3Confident84.1Confident111 Ų11148 Ų4852%0.51925%0.253SS..Hα-helixtrans-54.4-43.2177.574.2-167.9167.100111.9K180 A186K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 HydrophobicContact CB-CG 4.19Å; K180-E182 WeakPolarHBondContact CD-OE1 3.32Å; K180-E182 IonicContact NZ-OE1 2.69Å; K180-E182 PolarHBondContact NZ-OE1 3.02Å; K180-E182 PolarHBondContact O-N 3.39Å; E182-A186 WeakPolarHBondContact O-CB 3.45Å; E182-A186 PolarHBondContact O-N 3.09Å
183V77.9Confident83.3Confident34 Ų3444.3 Ų44.321%0.20624%0.238CC..Hα-helixtrans-75.2-38.6-176.2-177.50000110.5F159 K180 K181 K187F159-V183 HydrophobicContact CD1-CG1 4.11Å; K180-V183 HydrophobicContact CB-CB 4.22Å; K180-V183 HydrophobicContact CB-CG2 3.81Å; K180-V183 HydrophobicContact CD-CG2 3.99Å; K180-V183 PolarHBondContact O-N 3.33Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 3.28Å; V183-K187 HydrophobicContact CG1-CD 4.29Å; V183-K187 WeakPolarHBondContact O-CB 3.4Å; V183-K187 WeakPolarHBondContact O-CG 3.25Å; V183-K187 PolarHBondContact O-N 3.03Å; V183-K187 VanDerWaalsContact O-N 3.08Å
184I75.7Confident82.7Confident0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-62-46.9175.6-65.6162.3000110.2F159 L179 K180 K181 K187 D188 E189 V190 T193 L221 F468F159-I184 HydrophobicContact CD1-CG1 4.22Å; L179-I184 HydrophobicContact CB-CD1 3.71Å; L179-I184 HydrophobicContact CD1-CD1 4.24Å; K180-I184 WeakPolarHBondContact O-CG1 3.47Å; K180-I184 PolarHBondContact O-N 3.31Å; K180-I184 VanDerWaalsContact O-N 3.15Å; K181-I184 PolarHBondContact O-N 2.97Å; I184-K187 PolarHBondContact O-N 2.93Å; I184-D188 PolarHBondContact O-N 3.05Å; I184-E189 HydrophobicContact CG2-CB 4.11Å; I184-E189 PolarHBondContact O-N 2.92Å; I184-V190 HydrophobicContact CG2-CG2 4.03Å; I184-T193 HydrophobicContact CD1-CG2 4.15Å; I184-L221 HydrophobicContact CD1-CD1 3.79Å; I184-L221 HydrophobicContact CD1-CG 4.45Å; I184-F468 HydrophobicContact CG2-CZ 4.06Å
185I77.9Confident81.9Confident75 Ų7543.2 Ų43.239%0.38524%0.238SC..Hα-helixtrans-66.6-46.7180-65.5165.1000110.3K181 K187 D188 V190K181-I185 VanDerWaalsContact O-CG1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.45Å; K181-I185 PolarHBondContact O-N 3.11Å; I185-K187 PolarHBondContact O-N 3.16Å; I185-D188 PolarHBondContact O-N 3.3Å; I185-V190 HydrophobicContact CG1-CG2 4.04Å
186A73.1Confident81.4Confident89 Ų8943.2 Ų43.274%0.73624%0.237SC*.Hα-helixtrans-62.3-24.9-18000000113.5E182E182-A186 WeakPolarHBondContact O-CB 3.45Å; E182-A186 PolarHBondContact O-N 3.09Å
187K73Confident81Confident110 Ų11043.4 Ų43.448%0.47824%0.238SC..THydrogen-bonded Turntrans-97.42.4176.7-69.3-168170.7-165.70114.4F159 V183 I184 I185 E189F159-K187 HydrophobicContact CD1-CD 4.43Å; F159-K187 HydrophobicContact CE1-CB 4.19Å; F159-K187 HydrophobicContact CE1-CD 3.71Å; F159-K187 HydrophobicContact CZ-CD 4.32Å; V183-K187 HydrophobicContact CG1-CD 4.29Å; V183-K187 WeakPolarHBondContact O-CB 3.4Å; V183-K187 WeakPolarHBondContact O-CG 3.25Å; V183-K187 PolarHBondContact O-N 3.03Å; V183-K187 VanDerWaalsContact O-N 3.08Å; I184-K187 PolarHBondContact O-N 2.93Å; I185-K187 PolarHBondContact O-N 3.16Å; K187-E189 VanDerWaalsContact C-N 3.3Å; K187-E189 HydrophobicContact CB-CG 3.87Å; K187-E189 PolarHBondContact O-N 3.03Å
188D77.5Confident80.7Confident97 Ų9746.9 Ų46.952%0.51925%0.25SS..THydrogen-bonded Turntrans59.734.3-176.3-155.719.8000114.3T80 I184 I185T80-D188 PolarHBondContact OG1-OD2 3.13Å; T80-D188 VanDerWaalsContact OG1-OD2 3.11Å; I184-D188 PolarHBondContact O-N 3.05Å; I185-D188 PolarHBondContact O-N 3.3Å
189E78.2Confident80.5Confident56 Ų5646.7 Ų46.726%0.26225%0.249SC..  trans-102.515.5-172.1-70.8-72.7166.100113.2F159 I184 K187 A191 H192 T193F159-E189 HydrophobicContact CE1-CB 3.93Å; F159-E189 HydrophobicContact CE1-CG 3.72Å; F159-E189 HydrophobicContact CZ-CB 4.16Å; F159-E189 HydrophobicContact CZ-CG 3.67Å; I184-E189 HydrophobicContact CG2-CB 4.11Å; I184-E189 PolarHBondContact O-N 2.92Å; K187-E189 VanDerWaalsContact C-N 3.3Å; K187-E189 HydrophobicContact CB-CG 3.87Å; K187-E189 PolarHBondContact O-N 3.03Å; E189-A191 PolarHBondContact O-N 3.15Å; E189-H192 PolarHBondContact O-N 3.24Å; E189-H192 IonicContact OE1-ND1 3.6Å; E189-H192 WeakPolarHBondContact OE2-CB 3.24Å; E189-H192 IonicContact OE2-CE1 2.81Å; E189-H192 IonicContact OE2-CG 2.78Å; E189-H192 IonicContact OE2-ND1 2.68Å; E189-H192 PolarHBondContact OE2-ND1 3.3Å; E189-T193 PolarHBondContact O-N 3.1Å; E189-T193 PolarHBondContact O-OG1 3.21Å
190V78.3Confident80.4Confident23 Ų2346.5 Ų46.514%0.13925%0.248CC..Hα-helixtrans-61.4-45.5-177.3176.40000110.8I184 I185 T193 L194 H467 F468I184-V190 HydrophobicContact CG2-CG2 4.03Å; I185-V190 HydrophobicContact CG1-CG2 4.04Å; V190-T193 PolarHBondContact O-N 2.7Å; V190-L194 HydrophobicContact CG1-CD1 4.14Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.22Å; V190-H467 HydrophobicContact CG1-CB 4.45Å; V190-F468 HydrophobicContact CB-CE1 4.44Å; V190-F468 HydrophobicContact CB-CZ 4.42Å; V190-F468 HydrophobicContact CG1-CD1 4.49Å; V190-F468 HydrophobicContact CG1-CE1 3.78Å; V190-F468 HydrophobicContact CG1-CZ 4.01Å; V190-F468 HydrophobicContact CG2-CZ 4.02Å
191A77.7Confident80.5Confident67 Ų6745 Ų4555%0.55424%0.241SC*.Hα-helixtrans-65.5-41.1-178.500000112.5E189 L194 T195E189-A191 PolarHBondContact O-N 3.15Å; A191-L194 PolarHBondContact O-N 2.84Å; A191-T195 WeakPolarHBondContact O-CB 3.48Å; A191-T195 PolarHBondContact O-N 3.49Å; A191-T195 PolarHBondContact O-OG1 3.19Å
192H75.8Confident80.6Confident41 Ų4148.7 Ų48.719%0.1926%0.263CS..Hα-helixtrans-65.6-43.8175.8-66.4150.1000111.2E189 L194 T195 E196E189-H192 PolarHBondContact O-N 3.24Å; E189-H192 IonicContact OE1-ND1 3.6Å; E189-H192 WeakPolarHBondContact OE2-CB 3.24Å; E189-H192 IonicContact OE2-CE1 2.81Å; E189-H192 IonicContact OE2-CG 2.78Å; E189-H192 IonicContact OE2-ND1 2.68Å; E189-H192 PolarHBondContact OE2-ND1 3.3Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 3.04Å; H192-T195 WeakPolarHBondContact O-CA 3.33Å; H192-T195 WeakPolarHBondContact O-CB 3.42Å; H192-T195 PolarHBondContact O-N 2.77Å; H192-T195 VanDerWaalsContact O-N 3.08Å; H192-E196 PolarHBondContact O-N 3.47Å
193T79.1Confident80.9Confident8 Ų843.9 Ų43.95%0.04924%0.241CC..Hα-helixtrans-62.5-39177.7-54.40000112.8L179 I184 E189 V190 T195 S197 L221 F223 F471L179-T193 HydrophobicContact CD1-CG2 4.12Å; I184-T193 HydrophobicContact CD1-CG2 4.15Å; E189-T193 PolarHBondContact O-N 3.1Å; E189-T193 PolarHBondContact O-OG1 3.21Å; V190-T193 PolarHBondContact O-N 2.7Å; T193-T195 VanDerWaalsContact C-N 3.34Å; T193-S197 WeakPolarHBondContact O-CB 3.41Å; T193-S197 PolarHBondContact O-N 2.89Å; T193-L221 HydrophobicContact CG2-CD1 3.55Å; T193-F223 HydrophobicContact CG2-CZ 4.46Å; T193-F471 HydrophobicContact CG2-CE2 4.46Å
194L80.8Confident81.5Confident41 Ų4150 Ų5022%0.21526%0.26CS..Hα-helixtrans-68.3-34.6174.5-72.1175.1000112.1V190 A191 H192 S197 R198 F468V190-L194 HydrophobicContact CG1-CD1 4.14Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.22Å; A191-L194 PolarHBondContact O-N 2.84Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 3.04Å; L194-S197 PolarHBondContact O-N 2.98Å; L194-R198 WeakPolarHBondContact O-CG 3.48Å; L194-R198 PolarHBondContact O-N 2.87Å; L194-F468 HydrophobicContact CD2-CD1 3.88Å; L194-F468 HydrophobicContact CG-CD1 4.24Å
195T79.5Confident82.5Confident15 Ų1550.7 Ų50.79%0.09226%0.264CS..Hα-helixtrans-67.9-48.7175.6-56.40000110.8A191 H192 T193 S197 R198 V199 E295A191-T195 WeakPolarHBondContact O-CB 3.48Å; A191-T195 PolarHBondContact O-N 3.49Å; A191-T195 PolarHBondContact O-OG1 3.19Å; H192-T195 WeakPolarHBondContact O-CA 3.33Å; H192-T195 WeakPolarHBondContact O-CB 3.42Å; H192-T195 PolarHBondContact O-N 2.77Å; H192-T195 VanDerWaalsContact O-N 3.08Å; T193-T195 VanDerWaalsContact C-N 3.34Å; T195-S197 PolarHBondContact O-N 3.03Å; T195-R198 PolarHBondContact O-N 3.26Å; T195-R198 PolarHBondContact OG1-NH2 2.84Å; T195-V199 HydrophobicContact CG2-CG2 4.32Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 2.68Å; T195-E295 HydrophobicContact CG2-CG 3.99Å
196E83.6Confident83.4Confident9 Ų948.4 Ų48.44%0.04225%0.254CS..Hα-helixtrans-51.8-46.9171.5-179.1179.4-168.600110.3K177 H192 R198 V199 L200 F223 F290K177-E196 IonicContact NZ-OE1 2.84Å; K177-E196 PolarHBondContact NZ-OE1 3.19Å; K177-E196 IonicContact NZ-OE2 3.4Å; H192-E196 PolarHBondContact O-N 3.47Å; E196-R198 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 2.95Å; E196-V199 PolarHBondContact O-N 3.08Å; E196-L200 HydrophobicContact CG-CD1 3.79Å; E196-L200 HydrophobicContact CG-CG 4.41Å; E196-L200 VanDerWaalsContact O-CB 3.27Å; E196-L200 WeakPolarHBondContact O-CB 3.49Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 2.87Å; E196-F223 HydrophobicContact CG-CZ 4.47Å; E196-F290 HydrophobicContact CG-CB 4.21Å
197S84.7Confident84.6Confident4 Ų444.2 Ų44.23%0.02822%0.219CC..Hα-helixtrans-62.1-34177.2178.90000114.4T193 L194 T195 K201T193-S197 WeakPolarHBondContact O-CB 3.41Å; T193-S197 PolarHBondContact O-N 2.89Å; L194-S197 PolarHBondContact O-N 2.98Å; T195-S197 PolarHBondContact O-N 3.03Å; S197-K201 VanDerWaalsContact O-CD 3.3Å; S197-K201 WeakPolarHBondContact O-CD 3.45Å; S197-K201 WeakPolarHBondContact O-CE 3.49Å; S197-K201 WeakPolarHBondContact O-CG 3.11Å; S197-K201 VanDerWaalsContact OG-CE 3.27Å; S197-K201 WeakPolarHBondContact OG-CE 3.37Å
198R86.2Confident85.8Confident100 Ų10039.1 Ų39.138%0.37720%0.197SC..Hα-helixtrans-78.3-46178.6-75.2-171.1-54.2-88.7-8111L194 T195 E196 L200 K201 N202 E295L194-R198 WeakPolarHBondContact O-CG 3.48Å; L194-R198 PolarHBondContact O-N 2.87Å; T195-R198 PolarHBondContact O-N 3.26Å; T195-R198 PolarHBondContact OG1-NH2 2.84Å; E196-R198 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 2.95Å; R198-L200 PolarHBondContact O-N 2.87Å; R198-K201 PolarHBondContact O-N 2.8Å; R198-N202 PolarHBondContact O-N 3.4Å; R198-N202 VanDerWaalsContact O-N 3.14Å; R198-N202 PolarHBondContact O-ND2 2.84Å; R198-E295 IonicContact CZ-OE2 3.58Å; R198-E295 VanDerWaalsContact CZ-OE2 3.3Å; R198-E295 IonicContact NE-OE2 3.92Å; R198-E295 PolarHBondContact NE-OE2 3.45Å; R198-E295 IonicContact NH2-OE2 2.67Å; R198-E295 PolarHBondContact NH2-OE2 3.01Å
199V86.3Confident86.5Confident0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-54.6-54.7176.8170.50000109.8T195 E196 K201 N202 T203 I267 F290 C293 E295T195-V199 HydrophobicContact CG2-CG2 4.32Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 2.68Å; E196-V199 PolarHBondContact O-N 3.08Å; V199-K201 VanDerWaalsContact C-N 3.25Å; V199-K201 PolarHBondContact O-N 2.74Å; V199-N202 PolarHBondContact O-N 3.03Å; V199-T203 HydrophobicContact CG1-CG2 3.83Å; V199-T203 VanDerWaalsContact O-CG2 3.27Å; V199-T203 WeakPolarHBondContact O-CG2 3.49Å; V199-T203 PolarHBondContact O-N 3.02Å; V199-T203 PolarHBondContact O-OG1 3.3Å; V199-T203 VanDerWaalsContact O-OG1 3.06Å; V199-I267 HydrophobicContact CG1-CD1 4.21Å; V199-I267 HydrophobicContact CG1-CG2 4.28Å; V199-I267 HydrophobicContact CG2-CD1 4.2Å; V199-I267 HydrophobicContact CG2-CG1 4.3Å; V199-I267 HydrophobicContact CG2-CG2 4.25Å; V199-F290 HydrophobicContact CG1-CB 4.46Å; V199-F290 HydrophobicContact CG1-CD1 3.74Å; V199-F290 HydrophobicContact CG1-CE1 4.44Å; V199-F290 HydrophobicContact CG1-CG 4.39Å; V199-C293 HydrophobicContact CG1-CB 4.45Å; V199-C293 HydrophobicContact CG2-CB 4.23Å; V199-E295 HydrophobicContact CG2-CG 3.55Å
200L87.6Confident87.2Confident3 Ų334.9 Ų34.92%0.01618%0.181CC..Hα-helixtrans-59.7-30.2-179.5-80.1175.2000114.4E196 R198 L211 F223 M225 F290E196-L200 HydrophobicContact CG-CD1 3.79Å; E196-L200 HydrophobicContact CG-CG 4.41Å; E196-L200 VanDerWaalsContact O-CB 3.27Å; E196-L200 WeakPolarHBondContact O-CB 3.49Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 2.87Å; R198-L200 PolarHBondContact O-N 2.87Å; L200-L211 HydrophobicContact CB-CB 3.97Å; L200-L211 HydrophobicContact CB-CD2 3.91Å; L200-L211 HydrophobicContact CB-CG 4.41Å; L200-L211 WeakPolarHBondContact O-CB 3.4Å; L200-F223 HydrophobicContact CD1-CD1 4.14Å; L200-F223 HydrophobicContact CD1-CE1 4.37Å; L200-M225 HydrophobicContact CD1-SD 4.12Å; L200-F290 HydrophobicContact CD2-CB 4.42Å; L200-F290 HydrophobicContact CD2-CD2 3.44Å; L200-F290 VanDerWaalsContact CD2-CD2 3.44Å; L200-F290 HydrophobicContact CD2-CE2 3.82Å; L200-F290 HydrophobicContact CD2-CG 3.99Å; L200-F290 HydrophobicContact CG-CB 4.31Å; L200-F290 HydrophobicContact CG-CD2 4.22Å; L200-F290 HydrophobicContact CG-CG 4.36Å
201K88.3Confident87.9Confident31 Ų3134.3 Ų34.314%0.13518%0.177CC..Hα-helixtrans-73.9-32.8176.6-74.1175.2-167.1-169.30112.3S197 R198 V199 L211 S214 Q470 F471 S472 Y473S197-K201 VanDerWaalsContact O-CD 3.3Å; S197-K201 WeakPolarHBondContact O-CD 3.45Å; S197-K201 WeakPolarHBondContact O-CE 3.49Å; S197-K201 WeakPolarHBondContact O-CG 3.11Å; S197-K201 VanDerWaalsContact OG-CE 3.27Å; S197-K201 WeakPolarHBondContact OG-CE 3.37Å; R198-K201 PolarHBondContact O-N 2.8Å; V199-K201 VanDerWaalsContact C-N 3.25Å; V199-K201 PolarHBondContact O-N 2.74Å; K201-L211 HydrophobicContact CG-CD2 3.68Å; K201-S214 VanDerWaalsContact CE-OG 3.25Å; K201-S214 WeakPolarHBondContact CE-OG 3.28Å; K201-Q470 PolarHBondContact NZ-O 3.44Å; K201-F471 PolarHBondContact NZ-O 3.41Å; K201-S472 PolarHBondContact NZ-O 3.46Å; K201-S472 VanDerWaalsContact NZ-O 3.15Å; K201-Y473 HydrophobicContact CB-CD2 4.34Å; K201-Y473 HydrophobicContact CB-CE2 4.28Å; K201-Y473 HydrophobicContact CD-CD1 4.5Å; K201-Y473 HydrophobicContact CD-CD2 3.89Å; K201-Y473 HydrophobicContact CD-CG 3.82Å; K201-Y473 HydrophobicContact CG-CD1 3.82Å; K201-Y473 HydrophobicContact CG-CD2 3.82Å; K201-Y473 HydrophobicContact CG-CE1 4.19Å; K201-Y473 HydrophobicContact CG-CE2 4.2Å; K201-Y473 HydrophobicContact CG-CG 3.62Å
202N87.3Confident88.7Confident109 Ų10933 Ų3358%0.58316%0.159SC*.Hα-helixtrans-99-15.5-170.7-65.6-27.9000113.1R198 V199 Y261R198-N202 PolarHBondContact O-N 3.4Å; R198-N202 VanDerWaalsContact O-N 3.14Å; R198-N202 PolarHBondContact O-ND2 2.84Å; V199-N202 PolarHBondContact O-N 3.03Å; N202-Y261 PolarHBondContact O-OH 3.45Å
203T89.7Confident89.5Confident10 Ų1031.9 Ų31.96%0.06115%0.153CC..  trans-84.8129.3179.553.20000112.1V199 L208 Y261 L262 I267V199-T203 HydrophobicContact CG1-CG2 3.83Å; V199-T203 VanDerWaalsContact O-CG2 3.27Å; V199-T203 WeakPolarHBondContact O-CG2 3.49Å; V199-T203 PolarHBondContact O-N 3.02Å; V199-T203 PolarHBondContact O-OG1 3.3Å; V199-T203 VanDerWaalsContact O-OG1 3.06Å; T203-L208 HydrophobicContact CG2-CD1 4.34Å; T203-Y261 HydrophobicContact CG2-CE1 4.06Å; T203-L262 HydrophobicContact CG2-CD2 3.7Å; T203-I267 HydrophobicContact CG2-CD1 4.25Å
204R92.3Very high90.1Very high161 Ų16131.6 Ų31.661%0.60815%0.151SC*.  trans-139.395.4174.4-63.2-175.1-175.8-142.9-0.1108.9Y261R204-Y261 PolarHBondContact N-OH 2.78Å
205H96.7Very high90.5Very high16 Ų1629.9 Ų29.97%0.07414%0.142CC..  trans-145.1140.2-179.5-169.5-89.1000110.1F207 L208 S257 Y261 Y414H205-F207 AromaticContact CE1-CD2 3.56Å; H205-F207 PolarHBondContact ND1-N 2.91Å; H205-F207 PolarHBondContact O-N 3.45Å; H205-F207 VanDerWaalsContact O-N 3.13Å; H205-L208 HydrophobicContact CB-CB 4.06Å; H205-L208 HydrophobicContact CB-CD1 3.74Å; H205-L208 HydrophobicContact CB-CG 3.76Å; H205-L208 PolarHBondContact O-N 3.02Å; H205-L208 VanDerWaalsContact O-N 3.1Å; H205-S257 PolarHBondContact CE1-OG 2.96Å; H205-S257 PolarHBondContact NE2-O 3.06Å; H205-S257 PolarHBondContact NE2-OG 2.84Å; H205-S257 VanDerWaalsContact NE2-OG 3.13Å; H205-Y261 HydrophobicContact CB-CD1 3.79Å; H205-Y261 HydrophobicContact CB-CE1 4.07Å; H205-Y261 HydrophobicContact CB-CG 4.08Å; H205-Y261 VanDerWaalsContact CD2-CB 3.45Å; H205-Y261 WeakPolarHBondContact CD2-CB 3.47Å; H205-Y261 AromaticContact CD2-CG 3.61Å; H205-Y414 AromaticContact CD2-CD2 3.98Å; H205-Y414 AromaticContact CD2-CE2 3.55Å; H205-Y414 AromaticContact NE2-CD2 3.52Å; H205-Y414 AromaticContact NE2-CE2 3.62Å
206P96.9Very high91Very high27 Ų2732 Ų3218%0.17515%0.151CC..THydrogen-bonded Turntrans-53.3-34.6-177.320.3-36.5000114.1K286 Y414 K416P206-K286 VanDerWaalsContact O-CE 3.26Å; P206-K286 WeakPolarHBondContact O-CE 3.38Å; P206-K286 PolarHBondContact O-NZ 3.03Å; P206-Y414 HydrophobicContact CG-CD2 4.14Å; P206-Y414 HydrophobicContact CG-CE2 4.25Å; P206-Y414 HydrophobicContact CG-CG 4.44Å; P206-Y414 VanDerWaalsContact CG-O 3.29Å; P206-Y414 WeakPolarHBondContact CG-O 3.14Å; P206-K416 HydrophobicContact CB-CD 4.29Å; P206-K416 HydrophobicContact CB-CG 4.09Å; P206-K416 WeakPolarHBondContact O-CE 3.19Å; P206-K416 PolarHBondContact O-NZ 3.31Å
207F98Very high91.1Very high0 Ų033.5 Ų33.50%016%0.161CC..THydrogen-bonded Turntrans-102.29.3-176.7-49.6-51.8000114.7H205 E254 A258 H284 I285 K286 I287 V413 K416H205-F207 AromaticContact CE1-CD2 3.56Å; H205-F207 PolarHBondContact ND1-N 2.91Å; H205-F207 PolarHBondContact O-N 3.45Å; H205-F207 VanDerWaalsContact O-N 3.13Å; F207-E254 HydrophobicContact CD1-CB 4.11Å; F207-E254 HydrophobicContact CD1-CG 4.21Å; F207-E254 HydrophobicContact CD2-CB 3.7Å; F207-E254 HydrophobicContact CD2-CG 4.14Å; F207-E254 WeakPolarHBondContact CD2-O 3.49Å; F207-E254 HydrophobicContact CE1-CB 4.15Å; F207-E254 HydrophobicContact CE1-CG 3.76Å; F207-E254 WeakPolarHBondContact CE1-OE1 3.42Å; F207-E254 HydrophobicContact CE2-CB 3.81Å; F207-E254 HydrophobicContact CE2-CG 3.74Å; F207-E254 HydrophobicContact CG-CB 3.89Å; F207-E254 HydrophobicContact CG-CG 4.4Å; F207-E254 HydrophobicContact CZ-CB 4.02Å; F207-E254 HydrophobicContact CZ-CG 3.51Å; F207-E254 WeakPolarHBondContact CZ-OE1 3.41Å; F207-A258 HydrophobicContact CB-CB 4.15Å; F207-H284 HydrophobicContact CD1-CB 4.31Å; F207-H284 HydrophobicContact CE1-CB 4.03Å; F207-H284 AromaticContact CE1-ND1 3.95Å; F207-I285 VanDerWaalsContact CA-O 3.24Å; F207-I285 WeakPolarHBondContact CA-O 3.41Å; F207-I285 WeakPolarHBondContact CB-O 3.27Å; F207-I285 WeakPolarHBondContact CD1-O 3.36Å; F207-K286 WeakPolarHBondContact O-CA 3.41Å; F207-I287 PolarHBondContact O-N 2.77Å; F207-V413 HydrophobicContact CE2-CG1 3.73Å; F207-V413 WeakPolarHBondContact CE2-O 3.34Å; F207-V413 HydrophobicContact CZ-CG1 4.22Å; F207-V413 WeakPolarHBondContact CZ-O 3.17Å; F207-K416 HydrophobicContact CE1-CD 4.26Å; F207-K416 HydrophobicContact CE1-CG 3.77Å; F207-K416 HydrophobicContact CZ-CG 4.01Å
208L96.6Very high91Very high3 Ų341.1 Ų41.12%0.01619%0.194CC..BIsolated β-bridgetrans-107.8144.1170.5-63.2-177.6000108.9T203 H205 S210 A258 Y261 L262 I287 F290T203-L208 HydrophobicContact CG2-CD1 4.34Å; H205-L208 HydrophobicContact CB-CB 4.06Å; H205-L208 HydrophobicContact CB-CD1 3.74Å; H205-L208 HydrophobicContact CB-CG 3.76Å; H205-L208 PolarHBondContact O-N 3.02Å; H205-L208 VanDerWaalsContact O-N 3.1Å; L208-S210 PolarHBondContact O-N 2.79Å; L208-A258 HydrophobicContact CD2-CB 3.79Å; L208-A258 HydrophobicContact CG-CB 4.29Å; L208-Y261 HydrophobicContact CD1-CD1 3.73Å; L208-Y261 HydrophobicContact CD1-CE1 4.06Å; L208-L262 HydrophobicContact CD1-CD1 4.44Å; L208-L262 HydrophobicContact CD1-CD2 3.71Å; L208-L262 HydrophobicContact CD1-CG 3.97Å; L208-L262 HydrophobicContact CD2-CD1 4.26Å; L208-I287 HydrophobicContact CD2-CB 3.78Å; L208-I287 HydrophobicContact CD2-CD1 4.01Å; L208-I287 HydrophobicContact CD2-CG1 4.07Å; L208-I287 HydrophobicContact CD2-CG2 4.49Å; L208-F290 HydrophobicContact CB-CZ 4Å; L208-F290 HydrophobicContact CD1-CE1 4.35Å; L208-F290 HydrophobicContact CD1-CZ 4.42Å; L208-F290 HydrophobicContact CD2-CE1 4.14Å; L208-F290 HydrophobicContact CD2-CZ 3.88Å; L208-F290 HydrophobicContact CG-CZ 4.3Å
209T94Very high90.9Very high7 Ų738.4 Ų38.44%0.04319%0.187CC..PPolyproline II helixtrans-66.7130.7174.5-53.50000110.1M225 E226 I287 T288T209-M225 HydrophobicContact CG2-CB 4.05Å; T209-E226 HydrophobicContact CG2-CB 4.08Å; T209-I287 WeakPolarHBondContact CB-O 3.47Å; T209-I287 PolarHBondContact N-O 2.61Å; T209-I287 PolarHBondContact OG1-O 3.09Å; T209-T288 WeakPolarHBondContact OG1-CG2 3.19Å
210S92.6Very high91.1Very high58 Ų5839.7 Ų39.741%0.40619%0.191SC..PPolyproline II helixtrans-90.6138.7-177.658.90000112.7L208 M225 E226L208-S210 PolarHBondContact O-N 2.79Å; S210-M225 CarbonylContact O-C 3.57Å; S210-M225 VanDerWaalsContact O-CA 3.29Å; S210-M225 WeakPolarHBondContact O-CA 3.47Å; S210-E226 PolarHBondContact O-N 2.73Å; S210-E226 PolarHBondContact OG-OE2 3.45Å; S210-E226 VanDerWaalsContact OG-OE2 3.11Å
211L93.2Very high91.2Very high10 Ų1039.5 Ų39.55%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-87.9120.4171.4-177.871.6000110.4L200 K201 Y213 F223 M225 Y473L200-L211 HydrophobicContact CB-CB 3.97Å; L200-L211 HydrophobicContact CB-CD2 3.91Å; L200-L211 HydrophobicContact CB-CG 4.41Å; L200-L211 WeakPolarHBondContact O-CB 3.4Å; K201-L211 HydrophobicContact CG-CD2 3.68Å; L211-Y213 VanDerWaalsContact CD1-O 3.29Å; L211-Y213 WeakPolarHBondContact CD1-O 3.42Å; L211-F223 HydrophobicContact CD1-CB 3.92Å; L211-F223 HydrophobicContact CD1-CD1 3.9Å; L211-F223 HydrophobicContact CD1-CG 4.43Å; L211-M225 HydrophobicContact CD1-CG 3.87Å; L211-Y473 HydrophobicContact CD2-CD1 3.83Å; L211-Y473 HydrophobicContact CD2-CE1 4.23Å; L211-Y473 HydrophobicContact CG-CD1 4.26Å; L211-Y473 HydrophobicContact CG-CE1 4.45Å
212K92.8Very high91.4Very high40 Ų4038 Ų3817%0.17418%0.184CC..EExtended strand (participates in β ladder)trans-86.6-51.5175.3-172.768.6178.7177.60111.7Y174 V224 A475Y174-K212 HydrophobicContact CD1-CB 4.22Å; Y174-K212 HydrophobicContact CE1-CB 3.85Å; Y174-K212 HydrophobicContact CE1-CD 4.3Å; Y174-K212 HydrophobicContact CE1-CG 3.77Å; K212-V224 WeakPolarHBondContact CA-O 3.34Å; K212-V224 WeakPolarHBondContact CB-O 3.19Å; K212-V224 PolarHBondContact N-O 2.75Å; K212-A475 HydrophobicContact CD-CB 4.42Å; K212-A475 PolarHBondContact O-N 2.96Å
213Y92.6Very high91.7Very high17 Ų1732.9 Ų32.97%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-138.5145.8-179.4-46.9-67.7000110K143 F148 E167 L211 V224 Y473K143-Y213 HydrophobicContact CG-CD1 3.88Å; K143-Y213 HydrophobicContact CG-CD2 4.46Å; K143-Y213 HydrophobicContact CG-CE1 4.13Å; K143-Y213 HydrophobicContact CG-CG 4.08Å; F148-Y213 HydrophobicContact CE1-CD2 4.36Å; F148-Y213 HydrophobicContact CE1-CE2 4.4Å; F148-Y213 AromaticContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CE2 4.08Å; E167-Y213 PolarHBondContact OE1-OH 3.46Å; E167-Y213 PolarHBondContact OE2-OH 3.02Å; L211-Y213 VanDerWaalsContact CD1-O 3.29Å; L211-Y213 WeakPolarHBondContact CD1-O 3.42Å; Y213-V224 HydrophobicContact CD2-CB 3.98Å; Y213-V224 HydrophobicContact CD2-CG1 3.93Å; Y213-V224 HydrophobicContact CD2-CG2 4.37Å; Y213-V224 HydrophobicContact CG-CB 4.48Å; Y213-V224 PolarHBondContact N-O 3.33Å; Y213-V224 VanDerWaalsContact N-O 3.13Å; Y213-V224 PolarHBondContact O-N 3.4Å; Y213-Y473 WeakPolarHBondContact CA-O 3.42Å
214S91.7Very high91.9Very high2 Ų232.4 Ų32.41%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-129.6137.9159.5680000109.5K201 C222 F471 S472 Y473K201-S214 VanDerWaalsContact CE-OG 3.25Å; K201-S214 WeakPolarHBondContact CE-OG 3.28Å; S214-C222 VanDerWaalsContact CA-O 3.28Å; S214-C222 WeakPolarHBondContact CA-O 3.33Å; S214-F471 CarbonylContact C-O 3.47Å; S214-F471 WeakPolarHBondContact CB-O 3.3Å; S214-F471 PolarHBondContact OG-O 2.77Å; S214-S472 CarbonylContact O-C 3.54Å; S214-S472 VanDerWaalsContact O-CA 3.31Å; S214-S472 WeakPolarHBondContact O-CA 3.4Å; S214-Y473 PolarHBondContact N-O 2.68Å; S214-Y473 PolarHBondContact O-N 3.23Å; S214-Y473 WeakPolarHBondContact OG-CB 3.29Å
215F89.8Confident92Very high6 Ų625.8 Ų25.83%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-153.9166178.959.6-95.1000110K143 M145 F148 M176 C222 V224 F471K143-F215 HydrophobicContact CB-CD1 4.03Å; K143-F215 HydrophobicContact CB-CE1 4.38Å; K143-F215 WeakPolarHBondContact O-CG 3.37Å; M145-F215 HydrophobicContact CG-CE2 3.84Å; M145-F215 HydrophobicContact CG-CZ 4.46Å; M145-F215 HydrophobicContact SD-CE2 3.63Å; M145-F215 HydrophobicContact SD-CZ 3.86Å; F148-F215 HydrophobicContact CD2-CZ 4.5Å; F148-F215 AromaticContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CZ 4.15Å; M176-F215 HydrophobicContact CE-CZ 3.99Å; F215-C222 HydrophobicContact CD2-CB 3.9Å; F215-C222 HydrophobicContact CE1-CB 4.21Å; F215-C222 HydrophobicContact CE2-CB 3.51Å; F215-C222 HydrophobicContact CG-CB 4.38Å; F215-C222 HydrophobicContact CZ-CB 3.69Å; F215-C222 PolarHBondContact N-O 3.38Å; F215-C222 WeakPolarHBondContact O-CB 3.2Å; F215-C222 PolarHBondContact O-N 3.14Å; F215-V224 HydrophobicContact CE1-CG2 3.66Å; F215-V224 HydrophobicContact CZ-CG2 4.37Å; F215-F471 WeakPolarHBondContact O-CD1 3.4Å; F215-F471 VanDerWaalsContact O-CE1 3.22Å; F215-F471 WeakPolarHBondContact O-CE1 3.43Å
216Q90.8Very high91.9Very high59 Ų5927.6 Ų27.628%0.27614%0.138SC..EExtended strand (participates in β ladder)trans-128.7148.3-178.664.3-178.3-55.400111.2R220 L221 F468 F471Q216-R220 CarbonylContact C-O 3.58Å; Q216-R220 VanDerWaalsContact CA-O 3.28Å; Q216-R220 WeakPolarHBondContact CA-O 3.24Å; Q216-R220 WeakPolarHBondContact CB-O 3.29Å; Q216-L221 HydrophobicContact CB-CD2 3.65Å; Q216-F468 PolarHBondContact NE2-O 3.03Å; Q216-F471 HydrophobicContact CB-CD1 4.13Å
217T85Confident91.7Very high40 Ų4027.5 Ų27.525%0.24514%0.135CC..  trans-100.7-174165.766.90000109.2M145 K181 D219 R220M145-T217 HydrophobicContact CG-CG2 3.76Å; K181-T217 PolarHBondContact NZ-O 3.4Å; T217-D219 PolarHBondContact O-N 3.13Å; T217-D219 PolarHBondContact OG1-N 2.94Å; T217-D219 PolarHBondContact OG1-OD1 3.42Å; T217-R220 PolarHBondContact N-O 3.21Å; T217-R220 WeakPolarHBondContact OG1-CB 3.44Å; T217-R220 PolarHBondContact OG1-N 2.9Å
218K82.1Confident91.6Very high165 Ų16527.9 Ų27.972%0.71714%0.137SC*.SBendtrans-54.9-41.5172.9-173177.3177.3-178.80111.2K181K181-K218 PolarHBondContact NZ-O 3.33Å
219D85.6Confident91.4Very high43 Ų4328.3 Ų28.323%0.2314%0.139CC..SBendtrans-113.5-13-168.163.1-37.7000114.8K181 T217K181-D219 WeakPolarHBondContact CB-O 3.2Å; K181-D219 WeakPolarHBondContact CG-O 3.39Å; K181-D219 PolarHBondContact N-O 3.44Å; T217-D219 PolarHBondContact O-N 3.13Å; T217-D219 PolarHBondContact OG1-N 2.94Å; T217-D219 PolarHBondContact OG1-OD1 3.42Å
220R89.3Confident91.4Very high26 Ų2628 Ų2810%0.09814%0.137CC..EExtended strand (participates in β ladder)trans-134155-170.3-62.5155-171.8-89.11.4113.8I178 L179 Q216 T217 T447I178-R220 HydrophobicContact CG2-CB 4.09Å; I178-R220 HydrophobicContact CG2-CG 4.06Å; L179-R220 CarbonylContact O-C 3.42Å; L179-R220 WeakPolarHBondContact O-CA 3.41Å; L179-R220 WeakPolarHBondContact O-CB 3.5Å; Q216-R220 CarbonylContact C-O 3.58Å; Q216-R220 VanDerWaalsContact CA-O 3.28Å; Q216-R220 WeakPolarHBondContact CA-O 3.24Å; Q216-R220 WeakPolarHBondContact CB-O 3.29Å; T217-R220 PolarHBondContact N-O 3.21Å; T217-R220 WeakPolarHBondContact OG1-CB 3.44Å; T217-R220 PolarHBondContact OG1-N 2.9Å; R220-T447 PolarHBondContact NH2-O 2.91Å
221L91.1Very high91.4Very high0 Ų025.2 Ų25.20%012%0.118CC..EExtended strand (participates in β ladder)trans-110.7134166.5-60.4-178.4000108.4I178 L179 K181 I184 T193 Q216 F468 F471I178-L221 WeakPolarHBondContact CA-O 3.22Å; L179-L221 HydrophobicContact CB-CB 4.4Å; L179-L221 PolarHBondContact N-O 3.34Å; L179-L221 PolarHBondContact O-N 3.42Å; K181-L221 HydrophobicContact CG-CD2 4.33Å; K181-L221 HydrophobicContact CG-CG 4.06Å; I184-L221 HydrophobicContact CD1-CD1 3.79Å; I184-L221 HydrophobicContact CD1-CG 4.45Å; T193-L221 HydrophobicContact CG2-CD1 3.55Å; Q216-L221 HydrophobicContact CB-CD2 3.65Å; L221-F468 HydrophobicContact CD1-CD1 3.67Å; L221-F468 HydrophobicContact CD1-CD2 4.45Å; L221-F468 HydrophobicContact CD1-CE1 3.57Å; L221-F468 HydrophobicContact CD1-CE2 4.37Å; L221-F468 HydrophobicContact CD1-CG 4.13Å; L221-F468 HydrophobicContact CD1-CZ 3.94Å; L221-F468 HydrophobicContact CD2-CB 4.19Å; L221-F468 HydrophobicContact CD2-CD1 4.34Å; L221-F468 HydrophobicContact CD2-CD2 4.32Å; L221-F468 HydrophobicContact CD2-CG 4.03Å; L221-F471 HydrophobicContact CB-CD1 4.46Å; L221-F471 HydrophobicContact CB-CE1 3.82Å; L221-F471 HydrophobicContact CB-CE2 4.05Å; L221-F471 HydrophobicContact CB-CZ 3.59Å; L221-F471 HydrophobicContact CD1-CD2 4.17Å; L221-F471 HydrophobicContact CD1-CE2 3.87Å; L221-F471 HydrophobicContact CD1-CZ 4.29Å; L221-F471 HydrophobicContact CD2-CB 4.43Å; L221-F471 HydrophobicContact CD2-CD1 3.86Å; L221-F471 HydrophobicContact CD2-CD2 3.98Å; L221-F471 HydrophobicContact CD2-CE1 4.09Å; L221-F471 HydrophobicContact CD2-CE2 4.19Å; L221-F471 HydrophobicContact CD2-CG 3.81Å; L221-F471 HydrophobicContact CD2-CZ 4.25Å; L221-F471 HydrophobicContact CG-CE1 4.46Å; L221-F471 HydrophobicContact CG-CE2 4.26Å; L221-F471 HydrophobicContact CG-CZ 4.25Å
222C91Very high91.5Very high0 Ų027.9 Ų27.90%013%0.13CC..EExtended strand (participates in β ladder)trans-127122.3-174.7-56.80000110.2M145 K177 S214 F215M145-C222 HydrophobicContact SD-CB 4.33Å; M145-C222 PolarHBondContact SD-SG 2.69Å; K177-C222 WeakPolarHBondContact O-CA 3.26Å; S214-C222 VanDerWaalsContact CA-O 3.28Å; S214-C222 WeakPolarHBondContact CA-O 3.33Å; F215-C222 HydrophobicContact CD2-CB 3.9Å; F215-C222 HydrophobicContact CE1-CB 4.21Å; F215-C222 HydrophobicContact CE2-CB 3.51Å; F215-C222 HydrophobicContact CG-CB 4.38Å; F215-C222 HydrophobicContact CZ-CB 3.69Å; F215-C222 PolarHBondContact N-O 3.38Å; F215-C222 WeakPolarHBondContact O-CB 3.2Å; F215-C222 PolarHBondContact O-N 3.14Å
223F93.4Very high91.6Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-107.1120.2169.7-59.9-80.8000108.8M176 K177 L179 T193 E196 L200 L211 M225 F471M176-F223 CarbonylContact C-O 3.57Å; M176-F223 VanDerWaalsContact CA-O 3.28Å; M176-F223 WeakPolarHBondContact CA-O 2.92Å; K177-F223 HydrophobicContact CB-CB 4.3Å; K177-F223 PolarHBondContact N-O 2.87Å; K177-F223 PolarHBondContact O-N 3.21Å; L179-F223 HydrophobicContact CD1-CD2 4.29Å; L179-F223 HydrophobicContact CD1-CE2 3.78Å; T193-F223 HydrophobicContact CG2-CZ 4.46Å; E196-F223 HydrophobicContact CG-CZ 4.47Å; L200-F223 HydrophobicContact CD1-CD1 4.14Å; L200-F223 HydrophobicContact CD1-CE1 4.37Å; L211-F223 HydrophobicContact CD1-CB 3.92Å; L211-F223 HydrophobicContact CD1-CD1 3.9Å; L211-F223 HydrophobicContact CD1-CG 4.43Å; F223-M225 HydrophobicContact CB-CG 4.14Å; F223-M225 HydrophobicContact CB-SD 4.22Å; F223-F471 AromaticContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD2-CZ 4.1Å; F223-F471 HydrophobicContact CE1-CE1 4.34Å; F223-F471 AromaticContact CE1-CE2 3.61Å; F223-F471 HydrophobicContact CE1-CE2 3.61Å; F223-F471 AromaticContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE2-CE2 4.02Å; F223-F471 AromaticContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CG-CZ 4.25Å; F223-F471 AromaticContact CZ-CE2 3.32Å; F223-F471 HydrophobicContact CZ-CE2 3.32Å; F223-F471 AromaticContact CZ-CZ 3.23Å; F223-F471 HydrophobicContact CZ-CZ 3.23Å
224V94.1Very high91.7Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-101.3108.7173.9-174.20000107.7F148 Y174 M176 K212 Y213 F215F148-V224 HydrophobicContact CE1-CG1 3.94Å; F148-V224 HydrophobicContact CE1-CG2 4.35Å; F148-V224 HydrophobicContact CE2-CG2 4.29Å; F148-V224 HydrophobicContact CZ-CG1 4.2Å; F148-V224 HydrophobicContact CZ-CG2 3.93Å; Y174-V224 VanDerWaalsContact CB-CG1 3.46Å; Y174-V224 HydrophobicContact CD1-CG1 4.12Å; Y174-V224 HydrophobicContact CD2-CG1 4.07Å; Y174-V224 HydrophobicContact CG-CG1 3.63Å; M176-V224 HydrophobicContact CE-CG2 3.85Å; M176-V224 HydrophobicContact CG-CG2 4.23Å; K212-V224 WeakPolarHBondContact CA-O 3.34Å; K212-V224 WeakPolarHBondContact CB-O 3.19Å; K212-V224 PolarHBondContact N-O 2.75Å; Y213-V224 HydrophobicContact CD2-CB 3.98Å; Y213-V224 HydrophobicContact CD2-CG1 3.93Å; Y213-V224 HydrophobicContact CD2-CG2 4.37Å; Y213-V224 HydrophobicContact CG-CB 4.48Å; Y213-V224 PolarHBondContact N-O 3.33Å; Y213-V224 VanDerWaalsContact N-O 3.13Å; Y213-V224 PolarHBondContact O-N 3.4Å; F215-V224 HydrophobicContact CE1-CG2 3.66Å; F215-V224 HydrophobicContact CZ-CG2 4.37Å
225M94.7Very high91.7Very high23 Ų2332.1 Ų32.111%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-119162.3-171.3-56.2175.9-56.800110.3Y174 A175 K177 L200 T209 S210 L211 F223 Y227Y174-M225 CarbonylContact C-O 3.47Å; Y174-M225 WeakPolarHBondContact CA-O 3.26Å; Y174-M225 VanDerWaalsContact CB-O 3.3Å; Y174-M225 WeakPolarHBondContact CB-O 3.26Å; A175-M225 PolarHBondContact N-O 3.44Å; A175-M225 PolarHBondContact O-N 3.09Å; K177-M225 HydrophobicContact CB-CE 3.89Å; K177-M225 HydrophobicContact CD-CE 4.41Å; L200-M225 HydrophobicContact CD1-SD 4.12Å; T209-M225 HydrophobicContact CG2-CB 4.05Å; S210-M225 CarbonylContact O-C 3.57Å; S210-M225 VanDerWaalsContact O-CA 3.29Å; S210-M225 WeakPolarHBondContact O-CA 3.47Å; L211-M225 HydrophobicContact CD1-CG 3.87Å; F223-M225 HydrophobicContact CB-CG 4.14Å; F223-M225 HydrophobicContact CB-SD 4.22Å; M225-Y227 PolarHBondContact O-N 2.93Å
226E94.1Very high92Very high54 Ų5432 Ų3225%0.25215%0.148SC..EExtended strand (participates in β ladder)trans-48.1133.7169.1180178.7179.600111.4T209 S210 V228 K286T209-E226 HydrophobicContact CG2-CB 4.08Å; S210-E226 PolarHBondContact O-N 2.73Å; S210-E226 PolarHBondContact OG-OE2 3.45Å; S210-E226 VanDerWaalsContact OG-OE2 3.11Å; E226-V228 HydrophobicContact CG-CG2 4.41Å; E226-K286 VanDerWaalsContact CD-NZ 3.27Å; E226-K286 WeakPolarHBondContact OE1-CE 3.27Å; E226-K286 IonicContact OE1-NZ 3.03Å; E226-K286 PolarHBondContact OE1-NZ 3.26Å; E226-K286 IonicContact OE2-NZ 2.82Å; E226-K286 PolarHBondContact OE2-NZ 3.47Å
227Y94Very high92.2Very high25 Ų2529.6 Ų29.610%0.09814%0.137CC..  trans-87.2119.5174176.9-129.9000110.2L154 L164 A175 M225 N229 E429 D431 F435L154-Y227 HydrophobicContact CD1-CD2 3.81Å; L154-Y227 HydrophobicContact CD1-CE2 3.53Å; L154-Y227 HydrophobicContact CD2-CE2 4.02Å; L154-Y227 HydrophobicContact CG-CE2 4.44Å; L164-Y227 HydrophobicContact CD1-CD1 3.58Å; L164-Y227 HydrophobicContact CD1-CD2 3.95Å; L164-Y227 HydrophobicContact CD1-CE1 3.73Å; L164-Y227 HydrophobicContact CD1-CE2 4.12Å; L164-Y227 HydrophobicContact CD1-CG 3.69Å; L164-Y227 HydrophobicContact CD2-CE1 4.25Å; A175-Y227 HydrophobicContact CB-CD2 4.39Å; M225-Y227 PolarHBondContact O-N 2.93Å; Y227-N229 HydrophobicContact CD1-CB 4.19Å; Y227-N229 HydrophobicContact CE1-CB 3.55Å; Y227-N229 HydrophobicContact CE2-CB 4.42Å; Y227-E429 VanDerWaalsContact CE1-O 3.23Å; Y227-E429 WeakPolarHBondContact CE1-O 3.49Å; Y227-D431 PolarHBondContact OH-O 3.44Å; Y227-F435 AromaticContact CE2-CE2 3.74Å; Y227-F435 HydrophobicContact CE2-CE2 3.74Å; Y227-F435 AromaticContact CE2-CZ 3.58Å; Y227-F435 HydrophobicContact CE2-CZ 3.58Å; Y227-F435 AromaticContact CZ-CE2 3.88Å; Y227-F435 VanDerWaalsContact OH-CE2 3.22Å; Y227-F435 WeakPolarHBondContact OH-CE2 2.96Å
228V94.1Very high92.6Very high7 Ų730.4 Ų30.44%0.04214%0.144CC..  trans-107.5113.8-179.1-175.20000108.7E226 M278 L279 K286 F435E226-V228 HydrophobicContact CG-CG2 4.41Å; V228-M278 HydrophobicContact CB-CB 4.29Å; V228-M278 HydrophobicContact CB-CE 4.32Å; V228-M278 HydrophobicContact CB-SD 4.22Å; V228-M278 HydrophobicContact CG1-CB 3.56Å; V228-M278 HydrophobicContact CG1-CE 4.43Å; V228-M278 HydrophobicContact CG1-SD 4.45Å; V228-M278 VanDerWaalsContact O-CE 3.25Å; V228-M278 WeakPolarHBondContact O-CE 3.48Å; V228-L279 VanDerWaalsContact CG1-C 3.48Å; V228-L279 WeakPolarHBondContact CG1-O 3.19Å; V228-K286 HydrophobicContact CB-CB 4.49Å; V228-K286 HydrophobicContact CG1-CB 3.94Å; V228-K286 HydrophobicContact CG1-CG 4.06Å; V228-K286 HydrophobicContact CG2-CB 3.79Å; V228-K286 HydrophobicContact CG2-CG 3.84Å; V228-F435 WeakPolarHBondContact O-CZ 3.25Å
229N92.4Very high93Very high12 Ų1230.6 Ų30.66%0.06414%0.141CC..  trans-1155.2-166.665.3-9.3000115.1Y227 G231 V426 Y434Y227-N229 HydrophobicContact CD1-CB 4.19Å; Y227-N229 HydrophobicContact CE1-CB 3.55Å; Y227-N229 HydrophobicContact CE2-CB 4.42Å; N229-G231 VanDerWaalsContact C-N 3.3Å; N229-V426 VanDerWaalsContact ND2-CG1 3.26Å; N229-V426 WeakPolarHBondContact ND2-CG1 3.4Å; N229-V426 WeakPolarHBondContact O-CG2 3.41Å; N229-Y434 WeakPolarHBondContact O-CD2 3.09Å
230G94.5Very high93.4Very high0 Ų032.7 Ų32.70%015%0.149CC..SBendtrans-83.6-1.1176.700000114.2H236 L279G230-H236 PolarHBondContact O-CE1 2.75Å; G230-H236 PolarHBondContact O-NE2 2.74Å; G230-L279 CarbonylContact C-O 3.51Å; G230-L279 WeakPolarHBondContact CA-O 3.39Å; G230-L279 PolarHBondContact N-O 2.86Å
231G93.4Very high93.6Very high0 Ų040.7 Ų40.70%018%0.179CC..  trans85.3165.5176.900000114.4N229 M278 L279 Y434N229-G231 VanDerWaalsContact C-N 3.3Å; G231-M278 CarbonylContact O-C 3.5Å; G231-M278 WeakPolarHBondContact O-CA 3.42Å; G231-L279 PolarHBondContact O-N 3.25Å; G231-Y434 VanDerWaalsContact CA-CB 3.48Å
232E94.2Very high93.8Very high67 Ų6744 Ų4431%0.31320%0.2SC..BIsolated β-bridgetrans-70.7147.5176.9-59.2172.5-17000111.2F234 F235 H236 E275 M278E232-F234 HydrophobicContact CB-CB 4.38Å; E232-F234 PolarHBondContact O-N 3.01Å; E232-F235 HydrophobicContact CB-CB 4.49Å; E232-F235 WeakPolarHBondContact O-CB 3.35Å; E232-F235 PolarHBondContact O-N 3.33Å; E232-H236 PolarHBondContact O-CD2 3.29Å; E232-H236 PolarHBondContact O-N 3.49Å; E232-E275 WeakPolarHBondContact CG-O 3.2Å; E232-M278 HydrophobicContact CG-CG 4.31Å
233L95.9Very high94.1Very high0 Ų044.3 Ų44.30%020%0.201CC..Hα-helixtrans-59.5-34.3170.8-78.7-170000111.3F235 H236 L237 F243 Y251 L274 L277 L279 I285 M339L233-F235 VanDerWaalsContact C-N 3.32Å; L233-F235 PolarHBondContact O-N 2.85Å; L233-H236 PolarHBondContact O-N 3.34Å; L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L237 PolarHBondContact O-N 2.66Å; L233-F243 HydrophobicContact CD2-CE2 4.31Å; L233-Y251 HydrophobicContact CD1-CD2 4.39Å; L233-Y251 HydrophobicContact CD2-CD2 3.86Å; L233-Y251 HydrophobicContact CD2-CE2 3.65Å; L233-Y251 HydrophobicContact CD2-CG 4.46Å; L233-L274 HydrophobicContact CB-CB 4.47Å; L233-L274 HydrophobicContact CB-CD2 3.95Å; L233-L274 HydrophobicContact CD1-CD2 4.19Å; L233-L274 PolarHBondContact N-O 3.16Å; L233-L277 HydrophobicContact CB-CB 4.29Å; L233-L277 HydrophobicContact CD1-CB 3.77Å; L233-L277 HydrophobicContact CD1-CD1 3.99Å; L233-L277 HydrophobicContact CG-CB 3.98Å; L233-L277 WeakPolarHBondContact CG-O 3.41Å; L233-L277 PolarHBondContact N-O 3.21Å; L233-L279 HydrophobicContact CD2-CD1 4.17Å; L233-L279 HydrophobicContact CD2-CD2 3.82Å; L233-L279 HydrophobicContact CD2-CG 3.97Å; L233-I285 HydrophobicContact CD1-CD1 3.62Å; L233-I285 HydrophobicContact CD2-CD1 4.08Å; L233-I285 HydrophobicContact CG-CD1 3.92Å; L233-M339 HydrophobicContact CD1-SD 4.16Å
234F93.7Very high94.3Very high87 Ų8747.5 Ų47.538%0.38222%0.223SC..Hα-helixtrans-55.6-47.8175.3-179.1-102.8000111.4E232 H236 L237 S238 L274 E275E232-F234 HydrophobicContact CB-CB 4.38Å; E232-F234 PolarHBondContact O-N 3.01Å; F234-H236 PolarHBondContact O-N 3.13Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-S238 WeakPolarHBondContact O-CB 3.38Å; F234-S238 PolarHBondContact O-N 3.03Å; F234-L274 HydrophobicContact CB-CB 3.73Å; F234-L274 HydrophobicContact CD2-CB 4.36Å; F234-L274 HydrophobicContact CD2-CD1 4.44Å; F234-L274 PolarHBondContact N-O 2.92Å; F234-E275 HydrophobicContact CB-CG 4.07Å; F234-E275 HydrophobicContact CG-CG 4.18Å
235F93Very high94.4Very high60 Ų6049.5 Ų49.526%0.26323%0.233SC..Hα-helixtrans-57.3-48.4176.7175.7-88.3000111.7E232 L233 S238 R239 Y434E232-F235 HydrophobicContact CB-CB 4.49Å; E232-F235 WeakPolarHBondContact O-CB 3.35Å; E232-F235 PolarHBondContact O-N 3.33Å; L233-F235 VanDerWaalsContact C-N 3.32Å; L233-F235 PolarHBondContact O-N 2.85Å; F235-S238 PolarHBondContact O-N 3.18Å; F235-S238 PolarHBondContact O-OG 2.79Å; F235-R239 HydrophobicContact CE1-CG 4.49Å; F235-R239 PolarHBondContact O-N 2.9Å; F235-Y434 AromaticContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CE1 4.47Å; F235-Y434 AromaticContact CE1-CD1 3.36Å; F235-Y434 HydrophobicContact CE1-CD1 3.36Å; F235-Y434 AromaticContact CE1-CE1 3.75Å; F235-Y434 HydrophobicContact CE1-CE1 3.75Å; F235-Y434 AromaticContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CE1 4.41Å
236H95.2Very high94.6Very high4 Ų453.3 Ų53.32%0.01925%0.253CS..Hα-helixtrans-67.3-41.3-178.6-65.5-62.9000112.4G230 E232 L233 F234 S238 R239 E240 F243 F422 Y434G230-H236 PolarHBondContact O-CE1 2.75Å; G230-H236 PolarHBondContact O-NE2 2.74Å; E232-H236 PolarHBondContact O-CD2 3.29Å; E232-H236 PolarHBondContact O-N 3.49Å; L233-H236 PolarHBondContact O-N 3.34Å; F234-H236 PolarHBondContact O-N 3.13Å; H236-S238 VanDerWaalsContact C-N 3.34Å; H236-S238 PolarHBondContact O-N 3.47Å; H236-R239 PolarHBondContact O-N 3.48Å; H236-E240 PolarHBondContact O-N 3.16Å; H236-E240 VanDerWaalsContact O-N 3.15Å; H236-F243 HydrophobicContact CB-CE1 4.32Å; H236-F243 HydrophobicContact CB-CZ 3.85Å; H236-F422 AromaticContact CE1-CE1 3.48Å; H236-F422 VanDerWaalsContact CE1-CE1 3.48Å; H236-F422 WeakPolarHBondContact CE1-CE1 3.41Å; H236-F422 AromaticContact CE1-CZ 3.7Å; H236-F422 AromaticContact ND1-CE1 3.54Å; H236-F422 AromaticContact ND1-CZ 3.58Å; H236-F422 AromaticContact NE2-CE1 3.92Å; H236-Y434 AromaticContact CE1-CE1 3.96Å
237L95.3Very high94.7Very high8 Ų851.3 Ų51.34%0.04224%0.243CC..Hα-helixtrans-64.9-39.9177.2-174.665.1000111.2L233 F234 R239 E240 R241 F243 L274 E338L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L237 PolarHBondContact O-N 2.66Å; F234-L237 PolarHBondContact O-N 3.47Å; L237-R239 PolarHBondContact O-N 3.49Å; L237-E240 PolarHBondContact O-N 2.74Å; L237-R241 VanDerWaalsContact O-CA 3.26Å; L237-R241 WeakPolarHBondContact O-CA 3.18Å; L237-R241 PolarHBondContact O-N 3.06Å; L237-F243 HydrophobicContact CB-CE1 4.15Å; L237-F243 HydrophobicContact CB-CE2 4.21Å; L237-F243 HydrophobicContact CB-CZ 3.78Å; L237-F243 HydrophobicContact CD1-CD1 3.9Å; L237-F243 HydrophobicContact CD1-CD2 4.2Å; L237-F243 HydrophobicContact CD1-CE1 4Å; L237-F243 HydrophobicContact CD1-CE2 4.28Å; L237-F243 HydrophobicContact CD1-CG 3.99Å; L237-F243 HydrophobicContact CD1-CZ 4.19Å; L237-L274 HydrophobicContact CD2-CD1 3.46Å; L237-L274 VanDerWaalsContact CD2-CD1 3.46Å; L237-E338 HydrophobicContact CD2-CG 3.83Å
238S92.8Very high94.9Very high57 Ų5750.1 Ų50.140%0.39924%0.239SC..Hα-helixtrans-58.4-33.6178.378.80000112.8F234 F235 H236F234-S238 WeakPolarHBondContact O-CB 3.38Å; F234-S238 PolarHBondContact O-N 3.03Å; F235-S238 PolarHBondContact O-N 3.18Å; F235-S238 PolarHBondContact O-OG 2.79Å; H236-S238 VanDerWaalsContact C-N 3.34Å; H236-S238 PolarHBondContact O-N 3.47Å
239R91.5Very high95.1Very high170 Ų17052.7 Ų52.764%0.64225%0.248SC*.Hα-helixtrans-79.5-41.7179.2-69.7-17564.7-177.2-0.8113F235 H236 L237F235-R239 HydrophobicContact CE1-CG 4.49Å; F235-R239 PolarHBondContact O-N 2.9Å; H236-R239 PolarHBondContact O-N 3.48Å; L237-R239 PolarHBondContact O-N 3.49Å
240E93.1Very high95.4Very high87 Ų8753 Ų5341%0.40725%0.249SC..Hα-helixtrans-89.1-12.1-176.3-67.4179-118.100113.3H236 L237 V242 F243 R247H236-E240 PolarHBondContact O-N 3.16Å; H236-E240 VanDerWaalsContact O-N 3.15Å; L237-E240 PolarHBondContact O-N 2.74Å; E240-V242 PolarHBondContact O-N 2.82Å; E240-F243 HydrophobicContact CB-CD1 4.39Å; E240-F243 HydrophobicContact CB-CE1 4.24Å; E240-R247 IonicContact OE1-CZ 3.17Å; E240-R247 IonicContact OE1-NH1 3.48Å; E240-R247 PolarHBondContact OE1-NH1 2.89Å; E240-R247 IonicContact OE1-NH2 3.49Å; E240-R247 PolarHBondContact OE1-NH2 3.28Å; E240-R247 IonicContact OE2-CZ 2.7Å; E240-R247 IonicContact OE2-NH1 3.4Å; E240-R247 PolarHBondContact OE2-NH1 3.39Å
241R93.3Very high95.6Very high193 Ų19353 Ų5373%0.72825%0.249SC*.SBendtrans66.5-37.6-174-55.4-62.6-171171.7-2.1114.7L237 G342L237-R241 VanDerWaalsContact O-CA 3.26Å; L237-R241 WeakPolarHBondContact O-CA 3.18Å; L237-R241 PolarHBondContact O-N 3.06Å; R241-G342 WeakPolarHBondContact O-CA 3.38Å
242V95.7Very high95.9Very high71 Ų7153 Ų5343%0.4325%0.249SC..SBendtrans-151.7142.3-178.967.50000109.8E240 M340E240-V242 PolarHBondContact O-N 2.82Å; V242-M340 VanDerWaalsContact CG2-C 3.44Å; V242-M340 WeakPolarHBondContact CG2-O 3.33Å
243F97.6Very high96.1Very high5 Ų549.9 Ų49.92%0.02223%0.234CC..  trans-95.1151.1169.7-65-18.6000111L233 H236 L237 E240 R247 Y251 M339L233-F243 HydrophobicContact CD2-CE2 4.31Å; H236-F243 HydrophobicContact CB-CE1 4.32Å; H236-F243 HydrophobicContact CB-CZ 3.85Å; L237-F243 HydrophobicContact CB-CE1 4.15Å; L237-F243 HydrophobicContact CB-CE2 4.21Å; L237-F243 HydrophobicContact CB-CZ 3.78Å; L237-F243 HydrophobicContact CD1-CD1 3.9Å; L237-F243 HydrophobicContact CD1-CD2 4.2Å; L237-F243 HydrophobicContact CD1-CE1 4Å; L237-F243 HydrophobicContact CD1-CE2 4.28Å; L237-F243 HydrophobicContact CD1-CG 3.99Å; L237-F243 HydrophobicContact CD1-CZ 4.19Å; E240-F243 HydrophobicContact CB-CD1 4.39Å; E240-F243 HydrophobicContact CB-CE1 4.24Å; F243-R247 HydrophobicContact CB-CB 4.37Å; F243-R247 HydrophobicContact CB-CG 4.21Å; F243-R247 HydrophobicContact CD2-CG 4.35Å; F243-R247 HydrophobicContact CG-CG 4.26Å; F243-Y251 HydrophobicContact CD2-CD2 4.49Å; F243-Y251 HydrophobicContact CD2-CE2 4.45Å; F243-Y251 HydrophobicContact CE2-CD2 4.46Å; F243-Y251 HydrophobicContact CE2-CE2 4.21Å; F243-M339 HydrophobicContact CB-CB 4.39Å; F243-M339 HydrophobicContact CD2-CB 3.96Å; F243-M339 HydrophobicContact CD2-CG 3.69Å; F243-M339 HydrophobicContact CD2-SD 3.85Å; F243-M339 HydrophobicContact CE2-CG 4.1Å; F243-M339 HydrophobicContact CE2-SD 4.2Å; F243-M339 PolarHBondContact N-O 2.82Å
244S97.1Very high96.2Very high68 Ų6850.1 Ų50.148%0.47624%0.235SC..  trans-65157.1171.164.70000111.1D246 R247 T248S244-D246 PolarHBondContact O-N 3.27Å; S244-R247 PolarHBondContact O-N 2.82Å; S244-R247 WeakPolarHBondContact OG-CB 3.18Å; S244-R247 PolarHBondContact OG-N 3.41Å; S244-R247 VanDerWaalsContact OG-N 3.17Å; S244-T248 WeakPolarHBondContact O-CB 3.39Å; S244-T248 PolarHBondContact O-N 3.43Å; S244-T248 PolarHBondContact O-OG1 3.19Å
245E97.8Very high96.4Very high42 Ų4246 Ų4620%0.19622%0.217CC..Hα-helixtrans-60.2-35.2173.5-62.1-169-167.400111.5T248 R249 M340 L369 S370 F404E245-T248 PolarHBondContact O-N 2.91Å; E245-R249 WeakPolarHBondContact O-CB 3.43Å; E245-R249 PolarHBondContact O-N 2.84Å; E245-M340 HydrophobicContact CB-SD 4.32Å; E245-M340 HydrophobicContact CG-CG 4.4Å; E245-M340 HydrophobicContact CG-SD 3.89Å; E245-L369 WeakPolarHBondContact OE1-CA 3.47Å; E245-S370 PolarHBondContact OE1-N 2.75Å; E245-S370 PolarHBondContact OE1-OG 3.45Å; E245-S370 WeakPolarHBondContact OE2-CB 3.38Å; E245-S370 PolarHBondContact OE2-OG 3.46Å; E245-F404 HydrophobicContact CB-CE2 4.22Å; E245-F404 HydrophobicContact CB-CZ 4.44Å
246D97.2Very high96.7Very high102 Ų10243.1 Ų43.155%0.54521%0.205SC..Hα-helixtrans-65.4-42.1176.7-64.9-26.8000112.4S244 T248 R249 F250S244-D246 PolarHBondContact O-N 3.27Å; D246-T248 VanDerWaalsContact C-N 3.34Å; D246-R249 PolarHBondContact O-N 2.8Å; D246-R249 IonicContact OD1-CZ 3.24Å; D246-R249 IonicContact OD1-NH1 3.8Å; D246-R249 PolarHBondContact OD1-NH1 3.4Å; D246-R249 IonicContact OD1-NH2 3.01Å; D246-R249 PolarHBondContact OD1-NH2 2.87Å; D246-R249 VanDerWaalsContact OD1-NH2 3.13Å; D246-F250 PolarHBondContact O-N 3.09Å
247R97.6Very high96.9Very high12 Ų1243.5 Ų43.55%0.04521%0.208CC..Hα-helixtrans-66.5-40.1175177.1168.9-177.3-176.3-4111.5E240 F243 S244 R249 F250 Y251 P421E240-R247 IonicContact OE1-CZ 3.17Å; E240-R247 IonicContact OE1-NH1 3.48Å; E240-R247 PolarHBondContact OE1-NH1 2.89Å; E240-R247 IonicContact OE1-NH2 3.49Å; E240-R247 PolarHBondContact OE1-NH2 3.28Å; E240-R247 IonicContact OE2-CZ 2.7Å; E240-R247 IonicContact OE2-NH1 3.4Å; E240-R247 PolarHBondContact OE2-NH1 3.39Å; F243-R247 HydrophobicContact CB-CB 4.37Å; F243-R247 HydrophobicContact CB-CG 4.21Å; F243-R247 HydrophobicContact CD2-CG 4.35Å; F243-R247 HydrophobicContact CG-CG 4.26Å; S244-R247 PolarHBondContact O-N 2.82Å; S244-R247 WeakPolarHBondContact OG-CB 3.18Å; S244-R247 PolarHBondContact OG-N 3.41Å; S244-R247 VanDerWaalsContact OG-N 3.17Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R247-F250 PolarHBondContact O-N 2.97Å; R247-Y251 HydrophobicContact CG-CD2 4.01Å; R247-Y251 HydrophobicContact CG-CE2 3.64Å; R247-Y251 VanDerWaalsContact NE-CE2 3.34Å; R247-Y251 PolarHBondContact O-N 3.26Å; R247-Y251 VanDerWaalsContact O-N 3.09Å; R247-P421 HydrophobicContact CB-CB 4.27Å; R247-P421 HydrophobicContact CB-CG 4.01Å; R247-P421 HydrophobicContact CG-CB 4.37Å; R247-P421 HydrophobicContact CG-CG 3.74Å
248T98.1Very high97Very high0 Ų043.1 Ų43.10%021%0.206CC..Hα-helixtrans-68.1-35.2177.2-54.10000111.5S244 E245 D246 G252 M336 M339 M340S244-T248 WeakPolarHBondContact O-CB 3.39Å; S244-T248 PolarHBondContact O-N 3.43Å; S244-T248 PolarHBondContact O-OG1 3.19Å; E245-T248 PolarHBondContact O-N 2.91Å; D246-T248 VanDerWaalsContact C-N 3.34Å; T248-G252 WeakPolarHBondContact O-CA 3.31Å; T248-G252 PolarHBondContact O-N 2.89Å; T248-M336 HydrophobicContact CG2-CB 4.01Å; T248-M336 HydrophobicContact CG2-CE 3.86Å; T248-M336 HydrophobicContact CG2-CG 4.03Å; T248-M339 HydrophobicContact CG2-CB 3.91Å; T248-M339 HydrophobicContact CG2-CE 4.05Å; T248-M339 HydrophobicContact CG2-SD 4.25Å; T248-M340 HydrophobicContact CG2-CE 3.92Å; T248-M340 HydrophobicContact CG2-CG 3.7Å; T248-M340 HydrophobicContact CG2-SD 3.99Å; T248-M340 VanDerWaalsContact OG1-CG 3.28Å; T248-M340 WeakPolarHBondContact OG1-CG 3.29Å
249R98.4Very high97.2Very high61 Ų6140.4 Ų40.423%0.2319%0.187CC..Hα-helixtrans-62.5-43.8172.2-170.2-171.2-55107.99.2111.5E245 D246 R247 A253 F404 F405 V408E245-R249 WeakPolarHBondContact O-CB 3.43Å; E245-R249 PolarHBondContact O-N 2.84Å; D246-R249 PolarHBondContact O-N 2.8Å; D246-R249 IonicContact OD1-CZ 3.24Å; D246-R249 IonicContact OD1-NH1 3.8Å; D246-R249 PolarHBondContact OD1-NH1 3.4Å; D246-R249 IonicContact OD1-NH2 3.01Å; D246-R249 PolarHBondContact OD1-NH2 2.87Å; D246-R249 VanDerWaalsContact OD1-NH2 3.13Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R249-A253 VanDerWaalsContact O-CB 3.31Å; R249-A253 WeakPolarHBondContact O-CB 3.36Å; R249-A253 PolarHBondContact O-N 2.93Å; R249-F404 HydrophobicContact CB-CD1 4.42Å; R249-F404 HydrophobicContact CB-CE1 3.68Å; R249-F404 HydrophobicContact CB-CZ 4.03Å; R249-F404 WeakPolarHBondContact CD-O 3.29Å; R249-F404 HydrophobicContact CG-CD1 4.22Å; R249-F404 HydrophobicContact CG-CE1 3.97Å; R249-F404 PolarHBondContact NE-O 3.11Å; R249-F405 HydrophobicContact CG-CD1 3.71Å; R249-F405 HydrophobicContact CG-CE1 4.07Å; R249-V408 HydrophobicContact CG-CG2 4.19Å
250F98.4Very high97.5Very high20 Ų2034 Ų349%0.08817%0.166CC..Hα-helixtrans-59.5-57.9176.7-179.9-85.2000111.3D246 R247 G252 A253 E254 H284 L418 P420 P421D246-F250 PolarHBondContact O-N 3.09Å; R247-F250 PolarHBondContact O-N 2.97Å; F250-G252 PolarHBondContact O-N 3.22Å; F250-A253 PolarHBondContact O-N 3.32Å; F250-E254 HydrophobicContact CE1-CG 4.37Å; F250-E254 VanDerWaalsContact CE1-OE1 3.32Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.26Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.44Å; F250-E254 PolarHBondContact O-N 3.34Å; F250-H284 AromaticContact CZ-CE1 3.93Å; F250-H284 AromaticContact CZ-ND1 3.72Å; F250-L418 HydrophobicContact CD2-CB 4.21Å; F250-L418 HydrophobicContact CE2-CB 3.63Å; F250-P420 HydrophobicContact CE1-CB 4.13Å; F250-P420 HydrophobicContact CE1-CG 4.38Å; F250-P420 HydrophobicContact CZ-CB 3.91Å; F250-P420 HydrophobicContact CZ-CG 3.8Å; F250-P421 HydrophobicContact CB-CG 4.14Å; F250-P421 VanDerWaalsContact CD1-CD 3.45Å; F250-P421 HydrophobicContact CD1-CG 4.15Å; F250-P421 VanDerWaalsContact CG-CD 3.46Å; F250-P421 HydrophobicContact CG-CG 4.12Å
251Y98.6Very high97.7Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-66-38.5-179.6-62.9-36.2000112.5L233 F243 R247 A253 E254 I255 L279 G283 I285 M339L233-Y251 HydrophobicContact CD1-CD2 4.39Å; L233-Y251 HydrophobicContact CD2-CD2 3.86Å; L233-Y251 HydrophobicContact CD2-CE2 3.65Å; L233-Y251 HydrophobicContact CD2-CG 4.46Å; F243-Y251 HydrophobicContact CD2-CD2 4.49Å; F243-Y251 HydrophobicContact CD2-CE2 4.45Å; F243-Y251 HydrophobicContact CE2-CD2 4.46Å; F243-Y251 HydrophobicContact CE2-CE2 4.21Å; R247-Y251 HydrophobicContact CG-CD2 4.01Å; R247-Y251 HydrophobicContact CG-CE2 3.64Å; R247-Y251 VanDerWaalsContact NE-CE2 3.34Å; R247-Y251 PolarHBondContact O-N 3.26Å; R247-Y251 VanDerWaalsContact O-N 3.09Å; Y251-A253 VanDerWaalsContact C-N 3.3Å; Y251-A253 PolarHBondContact O-N 3.46Å; Y251-E254 PolarHBondContact O-N 3.17Å; Y251-I255 WeakPolarHBondContact O-CD1 3.15Å; Y251-I255 WeakPolarHBondContact O-CG1 3.32Å; Y251-I255 PolarHBondContact O-N 2.77Å; Y251-L279 HydrophobicContact CD1-CD2 4.3Å; Y251-L279 HydrophobicContact CE1-CD2 3.67Å; Y251-L279 WeakPolarHBondContact OH-CD1 3.29Å; Y251-G283 WeakPolarHBondContact CE1-O 3.32Å; Y251-I285 HydrophobicContact CD1-CD1 3.78Å; Y251-I285 HydrophobicContact CD1-CG1 3.71Å; Y251-I285 HydrophobicContact CE1-CD1 4.47Å; Y251-I285 HydrophobicContact CG-CD1 3.96Å; Y251-I285 HydrophobicContact CG-CG1 4.19Å; Y251-M339 HydrophobicContact CD2-SD 4.12Å
252G98.5Very high97.8Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-58.2-41.1175.100000112.2T248 F250 I255 V256T248-G252 WeakPolarHBondContact O-CA 3.31Å; T248-G252 PolarHBondContact O-N 2.89Å; F250-G252 PolarHBondContact O-N 3.22Å; G252-I255 PolarHBondContact O-N 3.11Å; G252-V256 WeakPolarHBondContact O-CB 3.05Å; G252-V256 WeakPolarHBondContact O-CG2 3.4Å; G252-V256 PolarHBondContact O-N 3.06Å
253A98.7Very high97.8Very high1 Ų120.8 Ų20.81%0.00811%0.105CC..Hα-helixtrans-65.8-41.117700000112.2R249 F250 Y251 V256 S257 F405 V408 W410 V413R249-A253 VanDerWaalsContact O-CB 3.31Å; R249-A253 WeakPolarHBondContact O-CB 3.36Å; R249-A253 PolarHBondContact O-N 2.93Å; F250-A253 PolarHBondContact O-N 3.32Å; Y251-A253 VanDerWaalsContact C-N 3.3Å; Y251-A253 PolarHBondContact O-N 3.46Å; A253-V256 PolarHBondContact O-N 2.79Å; A253-S257 WeakPolarHBondContact O-CB 3.49Å; A253-S257 PolarHBondContact O-N 3.12Å; A253-F405 HydrophobicContact CB-CD1 4.2Å; A253-F405 HydrophobicContact CB-CE1 4.09Å; A253-V408 HydrophobicContact CB-CG1 4.13Å; A253-W410 HydrophobicContact CB-CH2 4.01Å; A253-W410 HydrophobicContact CB-CZ3 3.93Å; A253-W410 WeakPolarHBondContact O-CZ3 3.11Å; A253-V413 HydrophobicContact CB-CG1 4.41Å; A253-V413 HydrophobicContact CB-CG2 4.09Å
254E98.7Very high97.6Very high4 Ų424.4 Ų24.42%0.01913%0.131CC..Hα-helixtrans-65.2-41176.6-63.4-169.215300112.1F207 F250 Y251 S257 A258 H284 I285 V413F207-E254 HydrophobicContact CD1-CB 4.11Å; F207-E254 HydrophobicContact CD1-CG 4.21Å; F207-E254 HydrophobicContact CD2-CB 3.7Å; F207-E254 HydrophobicContact CD2-CG 4.14Å; F207-E254 WeakPolarHBondContact CD2-O 3.49Å; F207-E254 HydrophobicContact CE1-CB 4.15Å; F207-E254 HydrophobicContact CE1-CG 3.76Å; F207-E254 WeakPolarHBondContact CE1-OE1 3.42Å; F207-E254 HydrophobicContact CE2-CB 3.81Å; F207-E254 HydrophobicContact CE2-CG 3.74Å; F207-E254 HydrophobicContact CG-CB 3.89Å; F207-E254 HydrophobicContact CG-CG 4.4Å; F207-E254 HydrophobicContact CZ-CB 4.02Å; F207-E254 HydrophobicContact CZ-CG 3.51Å; F207-E254 WeakPolarHBondContact CZ-OE1 3.41Å; F250-E254 HydrophobicContact CE1-CG 4.37Å; F250-E254 VanDerWaalsContact CE1-OE1 3.32Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.26Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.44Å; F250-E254 PolarHBondContact O-N 3.34Å; Y251-E254 PolarHBondContact O-N 3.17Å; E254-S257 PolarHBondContact O-N 2.64Å; E254-A258 WeakPolarHBondContact O-CB 3.47Å; E254-A258 PolarHBondContact O-N 2.97Å; E254-H284 IonicContact OE1-CE1 2.75Å; E254-H284 IonicContact OE1-CG 2.91Å; E254-H284 IonicContact OE1-ND1 2.87Å; E254-H284 PolarHBondContact OE1-ND1 2.7Å; E254-I285 HydrophobicContact CB-CB 4.07Å; E254-I285 HydrophobicContact CB-CG1 4.12Å; E254-I285 WeakPolarHBondContact OE2-CB 3.35Å; E254-I285 VanDerWaalsContact OE2-CG1 3.27Å; E254-I285 WeakPolarHBondContact OE2-CG1 3.39Å; E254-I285 PolarHBondContact OE2-N 2.89Å; E254-V413 HydrophobicContact CG-CG1 4.24Å
255I98.6Very high97.3Very high0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-64.9-45.6175.9-63.2161000110.4Y251 G252 S257 A258 L259 L272 L277 I285 I287 L332 V335 M339Y251-I255 WeakPolarHBondContact O-CD1 3.15Å; Y251-I255 WeakPolarHBondContact O-CG1 3.32Å; Y251-I255 PolarHBondContact O-N 2.77Å; G252-I255 PolarHBondContact O-N 3.11Å; I255-S257 VanDerWaalsContact C-N 3.32Å; I255-S257 PolarHBondContact O-N 2.82Å; I255-A258 WeakPolarHBondContact O-CB 3.27Å; I255-A258 PolarHBondContact O-N 2.9Å; I255-A258 VanDerWaalsContact O-N 3.14Å; I255-L259 HydrophobicContact CG2-CD1 3.93Å; I255-L259 HydrophobicContact CG2-CG 4.28Å; I255-L259 WeakPolarHBondContact O-CG 2.95Å; I255-L259 PolarHBondContact O-N 2.98Å; I255-L272 HydrophobicContact CG2-CD1 4.05Å; I255-L272 HydrophobicContact CG2-CD2 4.03Å; I255-L277 HydrophobicContact CD1-CD1 3.69Å; I255-L277 HydrophobicContact CD1-CD2 4.22Å; I255-L277 HydrophobicContact CG1-CD1 4.43Å; I255-L277 HydrophobicContact CG1-CD2 4.05Å; I255-I285 HydrophobicContact CG1-CG1 4.48Å; I255-I285 HydrophobicContact CG1-CG2 4.15Å; I255-I287 HydrophobicContact CG2-CD1 4.44Å; I255-L332 HydrophobicContact CB-CD1 4.09Å; I255-L332 HydrophobicContact CD1-CD1 4.48Å; I255-L332 HydrophobicContact CG2-CD1 3.74Å; I255-V335 HydrophobicContact CD1-CG1 4.29Å; I255-M339 HydrophobicContact CD1-CE 4.45Å
256V98.7Very high97Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-58.1-45.4175.8168.50000110.9G252 A253 A258 L259 D260 W329 L332 A396 I399 M400 F405 W410G252-V256 WeakPolarHBondContact O-CB 3.05Å; G252-V256 WeakPolarHBondContact O-CG2 3.4Å; G252-V256 PolarHBondContact O-N 3.06Å; A253-V256 PolarHBondContact O-N 2.79Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 2.96Å; V256-L259 PolarHBondContact O-N 3.19Å; V256-D260 WeakPolarHBondContact O-CB 3.32Å; V256-D260 PolarHBondContact O-N 3.43Å; V256-W329 HydrophobicContact CG1-CH2 4.44Å; V256-W329 HydrophobicContact CG1-CZ3 4.44Å; V256-W329 HydrophobicContact CG2-CZ3 4.16Å; V256-L332 HydrophobicContact CG2-CD2 3.43Å; V256-L332 VanDerWaalsContact CG2-CD2 3.43Å; V256-A396 HydrophobicContact CG1-CB 4.37Å; V256-I399 HydrophobicContact CG1-CG2 4.46Å; V256-I399 HydrophobicContact CG2-CG2 3.79Å; V256-M400 HydrophobicContact CG1-CG 3.82Å; V256-F405 HydrophobicContact CG2-CZ 4.48Å; V256-W410 HydrophobicContact CB-CH2 4.03Å; V256-W410 HydrophobicContact CB-CZ3 3.89Å; V256-W410 HydrophobicContact CG1-CH2 3.77Å; V256-W410 HydrophobicContact CG1-CZ3 3.68Å
257S98.5Very high96.7Very high12 Ų1221 Ų218%0.08412%0.116CC..Hα-helixtrans-58.9-41.5176.5-176.50000111.9H205 A253 E254 I255 Y261H205-S257 PolarHBondContact CE1-OG 2.96Å; H205-S257 PolarHBondContact NE2-O 3.06Å; H205-S257 PolarHBondContact NE2-OG 2.84Å; H205-S257 VanDerWaalsContact NE2-OG 3.13Å; A253-S257 WeakPolarHBondContact O-CB 3.49Å; A253-S257 PolarHBondContact O-N 3.12Å; E254-S257 PolarHBondContact O-N 2.64Å; I255-S257 VanDerWaalsContact C-N 3.32Å; I255-S257 PolarHBondContact O-N 2.82Å; S257-Y261 PolarHBondContact O-N 2.89Å
258A98.1Very high96.5Very high0 Ų020.5 Ų20.50%011%0.114CC..Hα-helixtrans-68.4-41.9179.400000112.6F207 L208 E254 I255 V256 Y261 L262 I287F207-A258 HydrophobicContact CB-CB 4.15Å; L208-A258 HydrophobicContact CD2-CB 3.79Å; L208-A258 HydrophobicContact CG-CB 4.29Å; E254-A258 WeakPolarHBondContact O-CB 3.47Å; E254-A258 PolarHBondContact O-N 2.97Å; I255-A258 WeakPolarHBondContact O-CB 3.27Å; I255-A258 PolarHBondContact O-N 2.9Å; I255-A258 VanDerWaalsContact O-N 3.14Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 2.96Å; A258-Y261 WeakPolarHBondContact O-CB 3.15Å; A258-Y261 PolarHBondContact O-N 2.9Å; A258-L262 WeakPolarHBondContact O-CG 3.36Å; A258-L262 PolarHBondContact O-N 3.04Å; A258-L262 VanDerWaalsContact O-N 3.13Å; A258-I287 HydrophobicContact CB-CD1 3.61Å; A258-I287 HydrophobicContact CB-CG1 4.33Å
259L97.7Very high96.2Very high0 Ų020.5 Ų20.50%011%0.114CC..Hα-helixtrans-69.5-41177.6-68.4176.7000111.9I255 V256 Y261 L262 H263 L272 D328 W329I255-L259 HydrophobicContact CG2-CD1 3.93Å; I255-L259 HydrophobicContact CG2-CG 4.28Å; I255-L259 WeakPolarHBondContact O-CG 2.95Å; I255-L259 PolarHBondContact O-N 2.98Å; V256-L259 PolarHBondContact O-N 3.19Å; L259-Y261 VanDerWaalsContact C-N 3.26Å; L259-Y261 PolarHBondContact O-N 3.29Å; L259-L262 HydrophobicContact CD2-CD1 4.44Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L259-H263 WeakPolarHBondContact O-CB 3.18Å; L259-H263 PolarHBondContact O-CD2 3.35Å; L259-H263 VanDerWaalsContact O-CG 3.3Å; L259-H263 PolarHBondContact O-N 2.77Å; L259-L272 HydrophobicContact CD1-CD2 4.3Å; L259-D328 HydrophobicContact CD1-CB 4.11Å; L259-D328 HydrophobicContact CD2-CB 4.06Å; L259-W329 HydrophobicContact CB-CH2 3.68Å; L259-W329 HydrophobicContact CB-CZ2 4.48Å; L259-W329 HydrophobicContact CB-CZ3 3.8Å; L259-W329 HydrophobicContact CD1-CE3 3.97Å; L259-W329 HydrophobicContact CD1-CH2 4.4Å; L259-W329 HydrophobicContact CD1-CZ3 3.69Å; L259-W329 HydrophobicContact CG-CZ3 4.41Å
260D97.5Very high95.8Very high37 Ų3718.5 Ų18.520%0.19811%0.107CC..Hα-helixtrans-53.8-46.1172.7-173.632.6000110.7V256 L262 H263 S264 A396 K397V256-D260 WeakPolarHBondContact O-CB 3.32Å; V256-D260 PolarHBondContact O-N 3.43Å; D260-L262 PolarHBondContact O-N 3.15Å; D260-H263 PolarHBondContact O-N 3Å; D260-S264 WeakPolarHBondContact O-CB 3.38Å; D260-S264 PolarHBondContact O-N 3.07Å; D260-A396 HydrophobicContact CB-CB 3.49Å; D260-A396 VanDerWaalsContact CB-CB 3.49Å; D260-A396 WeakPolarHBondContact OD1-CB 3.38Å; D260-K397 IonicContact OD1-NZ 3.68Å; D260-K397 IonicContact OD2-NZ 2.89Å; D260-K397 PolarHBondContact OD2-NZ 3.38Å
261Y97.1Very high95.5Very high66 Ų6617.9 Ų17.926%0.25910%0.104SC..Hα-helixtrans-60.3-47.4175.9175.3-97.1000112.4N202 T203 R204 H205 L208 S257 A258 L259 S264 G265N202-Y261 PolarHBondContact O-OH 3.45Å; T203-Y261 HydrophobicContact CG2-CE1 4.06Å; R204-Y261 PolarHBondContact N-OH 2.78Å; H205-Y261 HydrophobicContact CB-CD1 3.79Å; H205-Y261 HydrophobicContact CB-CE1 4.07Å; H205-Y261 HydrophobicContact CB-CG 4.08Å; H205-Y261 VanDerWaalsContact CD2-CB 3.45Å; H205-Y261 WeakPolarHBondContact CD2-CB 3.47Å; H205-Y261 AromaticContact CD2-CG 3.61Å; L208-Y261 HydrophobicContact CD1-CD1 3.73Å; L208-Y261 HydrophobicContact CD1-CE1 4.06Å; S257-Y261 PolarHBondContact O-N 2.89Å; A258-Y261 WeakPolarHBondContact O-CB 3.15Å; A258-Y261 PolarHBondContact O-N 2.9Å; L259-Y261 VanDerWaalsContact C-N 3.26Å; L259-Y261 PolarHBondContact O-N 3.29Å; Y261-S264 PolarHBondContact O-N 3Å; Y261-S264 PolarHBondContact O-OG 3.23Å; Y261-G265 PolarHBondContact O-N 3.44Å
262L95.3Very high95.2Very high0 Ų018.1 Ų18.10%011%0.105CC..Hα-helixtrans-62.8-47178.3-69.6176.9000111.9T203 L208 A258 L259 D260 S264 G265 K266 I267 Y269 F290T203-L262 HydrophobicContact CG2-CD2 3.7Å; L208-L262 HydrophobicContact CD1-CD1 4.44Å; L208-L262 HydrophobicContact CD1-CD2 3.71Å; L208-L262 HydrophobicContact CD1-CG 3.97Å; L208-L262 HydrophobicContact CD2-CD1 4.26Å; A258-L262 WeakPolarHBondContact O-CG 3.36Å; A258-L262 PolarHBondContact O-N 3.04Å; A258-L262 VanDerWaalsContact O-N 3.13Å; L259-L262 HydrophobicContact CD2-CD1 4.44Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-L262 VanDerWaalsContact O-N 3.1Å; D260-L262 PolarHBondContact O-N 3.15Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.08Å; L262-G265 CarbonylContact O-C 3.54Å; L262-G265 WeakPolarHBondContact O-CA 3.39Å; L262-G265 PolarHBondContact O-N 2.81Å; L262-K266 PolarHBondContact O-N 2.72Å; L262-I267 CarbonylContact C-O 3.6Å; L262-I267 VanDerWaalsContact C-O 3.23Å; L262-I267 HydrophobicContact CB-CB 4.2Å; L262-I267 HydrophobicContact CB-CG2 4.39Å; L262-I267 HydrophobicContact CD2-CB 4.3Å; L262-I267 HydrophobicContact CD2-CD1 4.27Å; L262-I267 HydrophobicContact CD2-CG2 4.07Å; L262-I267 WeakPolarHBondContact O-CB 3.38Å; L262-I267 PolarHBondContact O-N 3.43Å; L262-Y269 HydrophobicContact CD1-CD2 4.39Å; L262-F290 HydrophobicContact CD1-CE1 4.41Å; L262-F290 HydrophobicContact CD2-CE1 4.36Å
263H95.1Very high95Very high6 Ų619.4 Ų19.43%0.02811%0.111CC..Hα-helixtrans-63.5-36.6179.9-69.9-173.5000111.8L259 D260 G265 K266 I267 R325 D328 W329 D395L259-H263 WeakPolarHBondContact O-CB 3.18Å; L259-H263 PolarHBondContact O-CD2 3.35Å; L259-H263 VanDerWaalsContact O-CG 3.3Å; L259-H263 PolarHBondContact O-N 2.77Å; D260-H263 PolarHBondContact O-N 3Å; H263-G265 PolarHBondContact O-N 3.24Å; H263-K266 PolarHBondContact O-N 3.39Å; H263-I267 PolarHBondContact CD2-O 3.01Å; H263-I267 PolarHBondContact N-O 2.82Å; H263-R325 PolarHBondContact CE1-O 2.79Å; H263-D328 IonicContact CD2-OD2 3.62Å; H263-D328 IonicContact NE2-OD2 2.8Å; H263-D328 PolarHBondContact NE2-OD2 3.08Å; H263-D328 VanDerWaalsContact NE2-OD2 3.09Å; H263-W329 AromaticContact CE1-CE2 3.58Å; H263-W329 AromaticContact CE1-CZ2 3.62Å; H263-W329 AromaticContact CE1-NE1 3.63Å; H263-W329 AromaticContact ND1-CE2 3.82Å; H263-W329 AromaticContact ND1-CZ2 3.53Å; H263-W329 AromaticContact ND1-NE1 3.84Å; H263-D395 VanDerWaalsContact CB-OD2 3.29Å; H263-D395 WeakPolarHBondContact CB-OD2 3.48Å; H263-D395 IonicContact CE1-OD1 3.95Å; H263-D395 IonicContact CG-OD2 2.7Å; H263-D395 IonicContact ND1-OD1 3.44Å; H263-D395 PolarHBondContact ND1-OD1 2.92Å; H263-D395 IonicContact ND1-OD2 2.63Å; H263-D395 PolarHBondContact ND1-OD2 3.42Å
264S93.7Very high94.8Very high81 Ų8119.4 Ų19.457%0.56611%0.111SC*.Hα-helixtrans-60.8-34.7173.181.60000112D260 Y261 L262 K266D260-S264 WeakPolarHBondContact O-CB 3.38Å; D260-S264 PolarHBondContact O-N 3.07Å; Y261-S264 PolarHBondContact O-N 3Å; Y261-S264 PolarHBondContact O-OG 3.23Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.08Å; S264-K266 VanDerWaalsContact C-N 3.26Å; S264-K266 PolarHBondContact O-N 3.39Å
265G92Very high94.4Very high47 Ų4722 Ų2249%0.48512%0.123SC..THydrogen-bonded Turntrans-82.28.3172.900000114.9Y261 L262 H263 I267Y261-G265 PolarHBondContact O-N 3.44Å; L262-G265 CarbonylContact O-C 3.54Å; L262-G265 WeakPolarHBondContact O-CA 3.39Å; L262-G265 PolarHBondContact O-N 2.81Å; H263-G265 PolarHBondContact O-N 3.24Å; G265-I267 PolarHBondContact O-N 2.95Å
266K91Very high94.2Very high79 Ų7922.6 Ų22.634%0.34313%0.126SC..THydrogen-bonded Turntrans59.235.3-176.9-50.2-56.8178.2-173.30112.9L262 H263 S264 E295 G296 I297 T298L262-K266 PolarHBondContact O-N 2.72Å; H263-K266 PolarHBondContact O-N 3.39Å; S264-K266 VanDerWaalsContact C-N 3.26Å; S264-K266 PolarHBondContact O-N 3.39Å; K266-E295 CarbonylContact O-C 3.49Å; K266-E295 WeakPolarHBondContact O-CA 3.45Å; K266-G296 PolarHBondContact O-N 2.84Å; K266-I297 WeakPolarHBondContact CB-O 3.48Å; K266-I297 WeakPolarHBondContact CD-O 3.39Å; K266-I297 PolarHBondContact O-N 3.44Å; K266-T298 HydrophobicContact CD-CG2 4.43Å
267I91.4Very high94.1Very high15 Ų1522.6 Ų22.68%0.07713%0.126CC..EExtended strand (participates in β ladder)trans-112.3131176.7-61.1158000108.7V199 T203 L262 H263 G265 C293 K294 E295V199-I267 HydrophobicContact CG1-CD1 4.21Å; V199-I267 HydrophobicContact CG1-CG2 4.28Å; V199-I267 HydrophobicContact CG2-CD1 4.2Å; V199-I267 HydrophobicContact CG2-CG1 4.3Å; V199-I267 HydrophobicContact CG2-CG2 4.25Å; T203-I267 HydrophobicContact CG2-CD1 4.25Å; L262-I267 CarbonylContact C-O 3.6Å; L262-I267 VanDerWaalsContact C-O 3.23Å; L262-I267 HydrophobicContact CB-CB 4.2Å; L262-I267 HydrophobicContact CB-CG2 4.39Å; L262-I267 HydrophobicContact CD2-CB 4.3Å; L262-I267 HydrophobicContact CD2-CD1 4.27Å; L262-I267 HydrophobicContact CD2-CG2 4.07Å; L262-I267 WeakPolarHBondContact O-CB 3.38Å; L262-I267 PolarHBondContact O-N 3.43Å; H263-I267 PolarHBondContact CD2-O 3.01Å; H263-I267 PolarHBondContact N-O 2.82Å; G265-I267 PolarHBondContact O-N 2.95Å; I267-C293 HydrophobicContact CG2-CB 4.13Å; I267-K294 VanDerWaalsContact CA-O 3.31Å; I267-K294 WeakPolarHBondContact CA-O 3.31Å; I267-E295 HydrophobicContact CG1-CG 4.12Å
268V91.9Very high94Very high2 Ų223 Ų231%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-110.4132.8169.8-172.10000108.7R270 C293 K294 I297 M303 R325 V327 D328V268-R270 HydrophobicContact CB-CG 4.23Å; V268-R270 HydrophobicContact CG1-CG 3.66Å; V268-C293 CarbonylContact O-C 3.57Å; V268-C293 VanDerWaalsContact O-CA 3.28Å; V268-C293 WeakPolarHBondContact O-CA 3.41Å; V268-K294 PolarHBondContact N-O 3.24Å; V268-K294 PolarHBondContact O-N 3.25Å; V268-I297 HydrophobicContact CG2-CB 3.85Å; V268-I297 HydrophobicContact CG2-CG1 3.94Å; V268-I297 HydrophobicContact CG2-CG2 3.79Å; V268-M303 HydrophobicContact CB-CE 3.89Å; V268-M303 HydrophobicContact CG1-CE 3.93Å; V268-M303 HydrophobicContact CG2-CE 3.96Å; V268-R325 HydrophobicContact CG2-CB 3.86Å; V268-V327 HydrophobicContact CG1-CG2 3.7Å; V268-D328 WeakPolarHBondContact CG1-OD2 3.1Å
269Y92.8Very high93.9Very high0 Ų023 Ų230%013%0.127CC..  trans-79.2-47.1-172.1-178.9-111.3000113.3L262 D271 L272 N276 I287 T288 D289 F290 L292 D328L262-Y269 HydrophobicContact CD1-CD2 4.39Å; Y269-D271 VanDerWaalsContact C-N 3.26Å; Y269-D271 HydrophobicContact CE1-CB 4.37Å; Y269-D271 VanDerWaalsContact CE1-O 3.24Å; Y269-D271 WeakPolarHBondContact CE1-O 3.2Å; Y269-D271 PolarHBondContact O-N 3.43Å; Y269-D271 VanDerWaalsContact O-N 3.16Å; Y269-L272 HydrophobicContact CD1-CB 4.14Å; Y269-L272 HydrophobicContact CD1-CD1 3.97Å; Y269-L272 HydrophobicContact CE1-CB 4.28Å; Y269-L272 HydrophobicContact CE1-CD1 3.97Å; Y269-N276 WeakPolarHBondContact OH-CB 3.3Å; Y269-N276 PolarHBondContact OH-ND2 2.77Å; Y269-I287 HydrophobicContact CD2-CG2 4.29Å; Y269-I287 HydrophobicContact CE1-CG2 3.91Å; Y269-I287 HydrophobicContact CE2-CG2 3.63Å; Y269-I287 VanDerWaalsContact CZ-CG2 3.43Å; Y269-T288 PolarHBondContact OH-O 2.53Å; Y269-D289 PolarHBondContact OH-O 2.81Å; Y269-F290 HydrophobicContact CD2-CD1 4.37Å; Y269-F290 HydrophobicContact CE2-CD1 4.41Å; Y269-L292 CarbonylContact O-C 3.58Å; Y269-D328 WeakPolarHBondContact CB-OD2 3.29Å; Y269-D328 PolarHBondContact N-OD2 3.5Å
270R90.4Very high93.8Very high19 Ų1923.7 Ų23.77%0.07213%0.13CC..  trans67.3-6.2172.7-53.9-170.8-68.1171.21.9118.6V268 L292 M303 C307 Y323 V327 D328V268-R270 HydrophobicContact CB-CG 4.23Å; V268-R270 HydrophobicContact CG1-CG 3.66Å; R270-L292 PolarHBondContact NE-O 3.25Å; R270-L292 PolarHBondContact NH2-O 3.17Å; R270-M303 HydrophobicContact CG-CE 4.34Å; R270-C307 VanDerWaalsContact CZ-SG 3.51Å; R270-C307 PolarHBondContact NH1-SG 3.13Å; R270-Y323 PolarHBondContact NH1-OH 3.04Å; R270-Y323 VanDerWaalsContact NH1-OH 3.13Å; R270-V327 HydrophobicContact CG-CG2 4.15Å; R270-D328 WeakPolarHBondContact CA-OD1 3.17Å; R270-D328 PolarHBondContact N-OD1 3.11Å
271D90.3Very high93.6Very high7 Ų727.1 Ų27.14%0.03714%0.144CC..  trans-128.842.6-177.8-162.630.9000112.4Y269 K273 N276 L292Y269-D271 VanDerWaalsContact C-N 3.26Å; Y269-D271 HydrophobicContact CE1-CB 4.37Å; Y269-D271 VanDerWaalsContact CE1-O 3.24Å; Y269-D271 WeakPolarHBondContact CE1-O 3.2Å; Y269-D271 PolarHBondContact O-N 3.43Å; Y269-D271 VanDerWaalsContact O-N 3.16Å; D271-K273 PolarHBondContact O-N 3.15Å; D271-K273 IonicContact OD1-NZ 3.13Å; D271-K273 PolarHBondContact OD1-NZ 3.42Å; D271-K273 IonicContact OD2-NZ 3.35Å; D271-K273 PolarHBondContact OD2-NZ 2.89Å; D271-N276 VanDerWaalsContact CG-ND2 3.34Å; D271-N276 PolarHBondContact O-ND2 2.87Å; D271-N276 PolarHBondContact OD2-ND2 3.2Å; D271-L292 HydrophobicContact CB-CB 4.1Å; D271-L292 HydrophobicContact CB-CD1 3.74Å; D271-L292 HydrophobicContact CB-CG 4.38Å
272L93.8Very high93.5Very high5 Ų526.6 Ų26.63%0.02615%0.145CC..  trans-73.9110179.7-157.279.6000110.6I255 L259 Y269 L277 I287 Y312 G331 L332 V335I255-L272 HydrophobicContact CG2-CD1 4.05Å; I255-L272 HydrophobicContact CG2-CD2 4.03Å; L259-L272 HydrophobicContact CD1-CD2 4.3Å; Y269-L272 HydrophobicContact CD1-CB 4.14Å; Y269-L272 HydrophobicContact CD1-CD1 3.97Å; Y269-L272 HydrophobicContact CE1-CB 4.28Å; Y269-L272 HydrophobicContact CE1-CD1 3.97Å; L272-L277 HydrophobicContact CD1-CD2 4.1Å; L272-I287 HydrophobicContact CD1-CD1 4.37Å; L272-Y312 WeakPolarHBondContact O-CD1 3.44Å; L272-G331 VanDerWaalsContact CD2-C 3.48Å; L272-L332 VanDerWaalsContact CD2-CA 3.48Å; L272-L332 HydrophobicContact CD2-CB 3.98Å; L272-L332 VanDerWaalsContact CD2-N 3.25Å; L272-V335 HydrophobicContact CD2-CG2 4.35Å; L272-V335 HydrophobicContact CG-CG2 4.29Å
273K93.7Very high93.5Very high27 Ų2726.6 Ų26.612%0.11715%0.145CC..  trans-150.3161.3177.462.9-173.1174.2-132.70111D271 E275 N276 L277 T309 Y312D271-K273 PolarHBondContact O-N 3.15Å; D271-K273 IonicContact OD1-NZ 3.13Å; D271-K273 PolarHBondContact OD1-NZ 3.42Å; D271-K273 IonicContact OD2-NZ 3.35Å; D271-K273 PolarHBondContact OD2-NZ 2.89Å; K273-E275 WeakPolarHBondContact CB-OE2 3.32Å; K273-E275 HydrophobicContact CG-CB 4.41Å; K273-E275 WeakPolarHBondContact CG-OE2 3.4Å; K273-E275 PolarHBondContact O-N 3.42Å; K273-N276 WeakPolarHBondContact CE-ND2 3.43Å; K273-N276 WeakPolarHBondContact CE-OD1 3.2Å; K273-N276 HydrophobicContact CG-CB 4.09Å; K273-N276 PolarHBondContact O-N 3.28Å; K273-N276 VanDerWaalsContact O-N 3.13Å; K273-L277 WeakPolarHBondContact O-CG 3.24Å; K273-L277 PolarHBondContact O-N 2.95Å; K273-T309 HydrophobicContact CD-CG2 4.47Å; K273-T309 WeakPolarHBondContact CD-OG1 3.38Å; K273-T309 PolarHBondContact NZ-OG1 2.85Å; K273-Y312 HydrophobicContact CB-CD1 4.07Å; K273-Y312 HydrophobicContact CB-CD2 3.88Å; K273-Y312 HydrophobicContact CB-CE1 3.86Å; K273-Y312 HydrophobicContact CB-CE2 3.65Å; K273-Y312 HydrophobicContact CB-CG 4.06Å
274L94.1Very high93.7Very high0 Ų027 Ų270%015%0.147CC..THydrogen-bonded Turntrans-62.8-26.1-174.1-69.6179.6000114.1L233 F234 L237 Y312 V335 E338 M339L233-L274 HydrophobicContact CB-CB 4.47Å; L233-L274 HydrophobicContact CB-CD2 3.95Å; L233-L274 HydrophobicContact CD1-CD2 4.19Å; L233-L274 PolarHBondContact N-O 3.16Å; F234-L274 HydrophobicContact CB-CB 3.73Å; F234-L274 HydrophobicContact CD2-CB 4.36Å; F234-L274 HydrophobicContact CD2-CD1 4.44Å; F234-L274 PolarHBondContact N-O 2.92Å; L237-L274 HydrophobicContact CD2-CD1 3.46Å; L237-L274 VanDerWaalsContact CD2-CD1 3.46Å; L274-Y312 PolarHBondContact N-OH 2.86Å; L274-V335 HydrophobicContact CD2-CG1 3.88Å; L274-E338 HydrophobicContact CD1-CB 4.3Å; L274-E338 HydrophobicContact CD1-CG 3.88Å; L274-E338 WeakPolarHBondContact CD1-OE2 3.4Å; L274-M339 HydrophobicContact CD2-CG 4.1Å
275E91.6Very high93.9Very high60 Ų6023.1 Ų23.128%0.2812%0.12SC..THydrogen-bonded Turntrans-73.5-32.5177.8-57.492.714600112E232 F234 K273 L277E232-E275 WeakPolarHBondContact CG-O 3.2Å; F234-E275 HydrophobicContact CB-CG 4.07Å; F234-E275 HydrophobicContact CG-CG 4.18Å; K273-E275 WeakPolarHBondContact CB-OE2 3.32Å; K273-E275 HydrophobicContact CG-CB 4.41Å; K273-E275 WeakPolarHBondContact CG-OE2 3.4Å; K273-E275 PolarHBondContact O-N 3.42Å; E275-L277 VanDerWaalsContact C-N 3.29Å
276N93.3Very high94.1Very high12 Ų1221.5 Ų21.56%0.06410%0.1CC..THydrogen-bonded Turntrans-83.4-8.8178.2-73.7-4.5000112.9Y269 D271 K273 T288Y269-N276 WeakPolarHBondContact OH-CB 3.3Å; Y269-N276 PolarHBondContact OH-ND2 2.77Å; D271-N276 VanDerWaalsContact CG-ND2 3.34Å; D271-N276 PolarHBondContact O-ND2 2.87Å; D271-N276 PolarHBondContact OD2-ND2 3.2Å; K273-N276 WeakPolarHBondContact CE-ND2 3.43Å; K273-N276 WeakPolarHBondContact CE-OD1 3.2Å; K273-N276 HydrophobicContact CG-CB 4.09Å; K273-N276 PolarHBondContact O-N 3.28Å; K273-N276 VanDerWaalsContact O-N 3.13Å; N276-T288 PolarHBondContact O-N 3.05Å; N276-T288 PolarHBondContact O-OG1 3.37Å
277L96.9Very high94.4Very high0 Ų017.7 Ų17.70%08%0.083CC..EExtended strand (participates in β ladder)trans-99.999.5178.9-64.7173.1000109.5L233 I255 L272 K273 E275 I285 I287 V335L233-L277 HydrophobicContact CB-CB 4.29Å; L233-L277 HydrophobicContact CD1-CB 3.77Å; L233-L277 HydrophobicContact CD1-CD1 3.99Å; L233-L277 HydrophobicContact CG-CB 3.98Å; L233-L277 WeakPolarHBondContact CG-O 3.41Å; L233-L277 PolarHBondContact N-O 3.21Å; I255-L277 HydrophobicContact CD1-CD1 3.69Å; I255-L277 HydrophobicContact CD1-CD2 4.22Å; I255-L277 HydrophobicContact CG1-CD1 4.43Å; I255-L277 HydrophobicContact CG1-CD2 4.05Å; L272-L277 HydrophobicContact CD1-CD2 4.1Å; K273-L277 WeakPolarHBondContact O-CG 3.24Å; K273-L277 PolarHBondContact O-N 2.95Å; E275-L277 VanDerWaalsContact C-N 3.29Å; L277-I285 HydrophobicContact CD2-CG2 4.13Å; L277-I287 HydrophobicContact CD2-CB 4.44Å; L277-I287 HydrophobicContact CD2-CD1 4.2Å; L277-I287 HydrophobicContact CD2-CG1 3.73Å; L277-I287 HydrophobicContact CD2-CG2 4.49Å; L277-V335 HydrophobicContact CD1-CG1 3.7Å; L277-V335 HydrophobicContact CD1-CG2 4.23Å
278M96.6Very high94.4Very high20 Ų2018.1 Ų18.110%0.0999%0.086CC..EExtended strand (participates in β ladder)trans-98.7158.5179.5-62.2-173.978.100111.5V228 G231 E232 I285 K286 T288 F435V228-M278 HydrophobicContact CB-CB 4.29Å; V228-M278 HydrophobicContact CB-CE 4.32Å; V228-M278 HydrophobicContact CB-SD 4.22Å; V228-M278 HydrophobicContact CG1-CB 3.56Å; V228-M278 HydrophobicContact CG1-CE 4.43Å; V228-M278 HydrophobicContact CG1-SD 4.45Å; V228-M278 VanDerWaalsContact O-CE 3.25Å; V228-M278 WeakPolarHBondContact O-CE 3.48Å; G231-M278 CarbonylContact O-C 3.5Å; G231-M278 WeakPolarHBondContact O-CA 3.42Å; E232-M278 HydrophobicContact CG-CG 4.31Å; M278-I285 CarbonylContact O-C 3.5Å; M278-I285 WeakPolarHBondContact O-CA 3.42Å; M278-K286 PolarHBondContact N-O 3.4Å; M278-K286 PolarHBondContact O-N 3.12Å; M278-T288 HydrophobicContact CB-CG2 4.13Å; M278-T288 HydrophobicContact CG-CG2 3.74Å; M278-T288 HydrophobicContact SD-CG2 3.56Å; M278-T288 VanDerWaalsContact SD-CG2 3.56Å; M278-F435 HydrophobicContact CE-CE1 4.01Å; M278-F435 HydrophobicContact CE-CZ 3.76Å
279L96.8Very high94Very high0 Ų021.2 Ų21.20%010%0.103CC..EExtended strand (participates in β ladder)trans-100137.8168.9-61.9-177.9000110.5V228 G230 G231 L233 Y251 H284 I285 F422 P424V228-L279 VanDerWaalsContact CG1-C 3.48Å; V228-L279 WeakPolarHBondContact CG1-O 3.19Å; G230-L279 CarbonylContact C-O 3.51Å; G230-L279 WeakPolarHBondContact CA-O 3.39Å; G230-L279 PolarHBondContact N-O 2.86Å; G231-L279 PolarHBondContact O-N 3.25Å; L233-L279 HydrophobicContact CD2-CD1 4.17Å; L233-L279 HydrophobicContact CD2-CD2 3.82Å; L233-L279 HydrophobicContact CD2-CG 3.97Å; Y251-L279 HydrophobicContact CD1-CD2 4.3Å; Y251-L279 HydrophobicContact CE1-CD2 3.67Å; Y251-L279 WeakPolarHBondContact OH-CD1 3.29Å; L279-H284 CarbonylContact C-O 3.55Å; L279-H284 WeakPolarHBondContact CA-O 3.17Å; L279-I285 HydrophobicContact CD2-CD1 3.82Å; L279-I285 HydrophobicContact CD2-CG1 4.46Å; L279-F422 HydrophobicContact CD1-CD1 3.78Å; L279-F422 HydrophobicContact CD1-CE1 4.03Å; L279-P424 HydrophobicContact CB-CG 4Å; L279-P424 HydrophobicContact CD1-CG 4.16Å
280D95Very high93.4Very high14 Ų1421.4 Ų21.48%0.07510%0.104CC..  trans-74.2174.7164.570.523.7000111.4D282 G283 H284 K286 K416D280-D282 PolarHBondContact O-N 2.74Å; D280-D282 VanDerWaalsContact O-N 3.08Å; D280-D282 WeakPolarHBondContact OD1-CA 3.4Å; D280-D282 PolarHBondContact OD1-N 3.09Å; D280-G283 PolarHBondContact O-N 3.15Å; D280-G283 VanDerWaalsContact O-N 3.08Å; D280-G283 PolarHBondContact OD1-N 3.28Å; D280-H284 PolarHBondContact N-O 3.09Å; D280-H284 PolarHBondContact OD1-N 2.87Å; D280-K286 HydrophobicContact CB-CG 4.26Å; D280-K416 IonicContact OD2-NZ 3.12Å; D280-K416 PolarHBondContact OD2-NZ 3.33Å
281K93.4Very high92.5Very high110 Ų11021.3 Ų21.348%0.47811%0.109SC..THydrogen-bonded Turntrans-58.3-20.4179.965.7178.8177.962.60114.3K423 V426K281-K423 WeakPolarHBondContact O-CE 3.26Å; K281-V426 HydrophobicContact CB-CB 4.49Å; K281-V426 HydrophobicContact CB-CG1 4.44Å
282D94.4Very high91.8Very high55 Ų5523 Ų2329%0.29412%0.118SC..THydrogen-bonded Turntrans-97-14-178.6-65.2-54.7000112.1D280 P420 K423D280-D282 PolarHBondContact O-N 2.74Å; D280-D282 VanDerWaalsContact O-N 3.08Å; D280-D282 WeakPolarHBondContact OD1-CA 3.4Å; D280-D282 PolarHBondContact OD1-N 3.09Å; D282-P420 WeakPolarHBondContact O-CG 3.29Å; D282-K423 IonicContact OD1-NZ 3.54Å; D282-K423 PolarHBondContact OD1-NZ 2.89Å
283G96.3Very high91.2Very high0 Ų022.9 Ų22.90%012%0.117CC..SBendtrans104.214.5175.100000114.4Y251 D280 F422Y251-G283 WeakPolarHBondContact CE1-O 3.32Å; D280-G283 PolarHBondContact O-N 3.15Å; D280-G283 VanDerWaalsContact O-N 3.08Å; D280-G283 PolarHBondContact OD1-N 3.28Å; G283-F422 WeakPolarHBondContact CA-O 3.31Å
284H98Very high90.5Very high14 Ų1425.2 Ų25.27%0.06513%0.127CC..  trans-91.6151.7175.5-64.8-81.8000111.8F207 F250 E254 L279 D280 L418 P420F207-H284 HydrophobicContact CD1-CB 4.31Å; F207-H284 HydrophobicContact CE1-CB 4.03Å; F207-H284 AromaticContact CE1-ND1 3.95Å; F250-H284 AromaticContact CZ-CE1 3.93Å; F250-H284 AromaticContact CZ-ND1 3.72Å; E254-H284 IonicContact OE1-CE1 2.75Å; E254-H284 IonicContact OE1-CG 2.91Å; E254-H284 IonicContact OE1-ND1 2.87Å; E254-H284 PolarHBondContact OE1-ND1 2.7Å; L279-H284 CarbonylContact C-O 3.55Å; L279-H284 WeakPolarHBondContact CA-O 3.17Å; D280-H284 PolarHBondContact N-O 3.09Å; D280-H284 PolarHBondContact OD1-N 2.87Å; H284-L418 PolarHBondContact CE1-O 3.08Å; H284-P420 WeakPolarHBondContact NE2-CG 3.39Å
285I98Very high89.9Confident0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-64.4140.8177.4-65.1-70.9000111.2F207 L233 Y251 E254 I255 L277 M278 L279 I287F207-I285 VanDerWaalsContact CA-O 3.24Å; F207-I285 WeakPolarHBondContact CA-O 3.41Å; F207-I285 WeakPolarHBondContact CB-O 3.27Å; F207-I285 WeakPolarHBondContact CD1-O 3.36Å; L233-I285 HydrophobicContact CD1-CD1 3.62Å; L233-I285 HydrophobicContact CD2-CD1 4.08Å; L233-I285 HydrophobicContact CG-CD1 3.92Å; Y251-I285 HydrophobicContact CD1-CD1 3.78Å; Y251-I285 HydrophobicContact CD1-CG1 3.71Å; Y251-I285 HydrophobicContact CE1-CD1 4.47Å; Y251-I285 HydrophobicContact CG-CD1 3.96Å; Y251-I285 HydrophobicContact CG-CG1 4.19Å; E254-I285 HydrophobicContact CB-CB 4.07Å; E254-I285 HydrophobicContact CB-CG1 4.12Å; E254-I285 WeakPolarHBondContact OE2-CB 3.35Å; E254-I285 VanDerWaalsContact OE2-CG1 3.27Å; E254-I285 WeakPolarHBondContact OE2-CG1 3.39Å; E254-I285 PolarHBondContact OE2-N 2.89Å; I255-I285 HydrophobicContact CG1-CG1 4.48Å; I255-I285 HydrophobicContact CG1-CG2 4.15Å; L277-I285 HydrophobicContact CD2-CG2 4.13Å; M278-I285 CarbonylContact O-C 3.5Å; M278-I285 WeakPolarHBondContact O-CA 3.42Å; L279-I285 HydrophobicContact CD2-CD1 3.82Å; L279-I285 HydrophobicContact CD2-CG1 4.46Å; I285-I287 HydrophobicContact CG2-CG1 4.04Å
286K97.2Very high89.1Confident12 Ų1227.3 Ų27.35%0.05215%0.151CC..EExtended strand (participates in β ladder)trans-132106.2164.5-70.2-69.4-172163.90107.7P206 F207 E226 V228 M278 D280 T288P206-K286 VanDerWaalsContact O-CE 3.26Å; P206-K286 WeakPolarHBondContact O-CE 3.38Å; P206-K286 PolarHBondContact O-NZ 3.03Å; F207-K286 WeakPolarHBondContact O-CA 3.41Å; E226-K286 VanDerWaalsContact CD-NZ 3.27Å; E226-K286 WeakPolarHBondContact OE1-CE 3.27Å; E226-K286 IonicContact OE1-NZ 3.03Å; E226-K286 PolarHBondContact OE1-NZ 3.26Å; E226-K286 IonicContact OE2-NZ 2.82Å; E226-K286 PolarHBondContact OE2-NZ 3.47Å; V228-K286 HydrophobicContact CB-CB 4.49Å; V228-K286 HydrophobicContact CG1-CB 3.94Å; V228-K286 HydrophobicContact CG1-CG 4.06Å; V228-K286 HydrophobicContact CG2-CB 3.79Å; V228-K286 HydrophobicContact CG2-CG 3.84Å; M278-K286 PolarHBondContact N-O 3.4Å; M278-K286 PolarHBondContact O-N 3.12Å; D280-K286 HydrophobicContact CB-CG 4.26Å; K286-T288 WeakPolarHBondContact O-CG2 3.43Å; K286-T288 PolarHBondContact O-N 3.41Å
287I96.9Very high88.1Confident0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-69.6128.5170.5-49.1-169.3000107.7F207 L208 T209 I255 A258 Y269 L272 L277 I285F207-I287 PolarHBondContact O-N 2.77Å; L208-I287 HydrophobicContact CD2-CB 3.78Å; L208-I287 HydrophobicContact CD2-CD1 4.01Å; L208-I287 HydrophobicContact CD2-CG1 4.07Å; L208-I287 HydrophobicContact CD2-CG2 4.49Å; T209-I287 WeakPolarHBondContact CB-O 3.47Å; T209-I287 PolarHBondContact N-O 2.61Å; T209-I287 PolarHBondContact OG1-O 3.09Å; I255-I287 HydrophobicContact CG2-CD1 4.44Å; A258-I287 HydrophobicContact CB-CD1 3.61Å; A258-I287 HydrophobicContact CB-CG1 4.33Å; Y269-I287 HydrophobicContact CD2-CG2 4.29Å; Y269-I287 HydrophobicContact CE1-CG2 3.91Å; Y269-I287 HydrophobicContact CE2-CG2 3.63Å; Y269-I287 VanDerWaalsContact CZ-CG2 3.43Å; L272-I287 HydrophobicContact CD1-CD1 4.37Å; L277-I287 HydrophobicContact CD2-CB 4.44Å; L277-I287 HydrophobicContact CD2-CD1 4.2Å; L277-I287 HydrophobicContact CD2-CG1 3.73Å; L277-I287 HydrophobicContact CD2-CG2 4.49Å; I285-I287 HydrophobicContact CG2-CG1 4.04Å
288T91.8Very high86.8Confident23 Ų2330.6 Ų30.614%0.14117%0.17CC..  trans-114.6-177.6-17872.10000110.7T209 Y269 N276 M278 K286T209-T288 WeakPolarHBondContact OG1-CG2 3.19Å; Y269-T288 PolarHBondContact OH-O 2.53Å; N276-T288 PolarHBondContact O-N 3.05Å; N276-T288 PolarHBondContact O-OG1 3.37Å; M278-T288 HydrophobicContact CB-CG2 4.13Å; M278-T288 HydrophobicContact CG-CG2 3.74Å; M278-T288 HydrophobicContact SD-CG2 3.56Å; M278-T288 VanDerWaalsContact SD-CG2 3.56Å; K286-T288 WeakPolarHBondContact O-CG2 3.43Å; K286-T288 PolarHBondContact O-N 3.41Å
289D83.5Confident85.3Confident68 Ų6835.5 Ų35.536%0.36420%0.197SC..  trans46.283.1174.7-154.112.3000117.1K177 Y269 G291K177-D289 IonicContact NZ-OD1 2.76Å; K177-D289 PolarHBondContact NZ-OD1 3.42Å; Y269-D289 PolarHBondContact OH-O 2.81Å; D289-G291 PolarHBondContact O-N 3.17Å
290F80.7Confident83.4Confident3 Ų339.9 Ų39.91%0.01323%0.233CC..G310 helixtrans-87.113.8179.4-65.2-102.4000112.8E196 V199 L200 L208 L262 Y269 L292 C293E196-F290 HydrophobicContact CG-CB 4.21Å; V199-F290 HydrophobicContact CG1-CB 4.46Å; V199-F290 HydrophobicContact CG1-CD1 3.74Å; V199-F290 HydrophobicContact CG1-CE1 4.44Å; V199-F290 HydrophobicContact CG1-CG 4.39Å; L200-F290 HydrophobicContact CD2-CB 4.42Å; L200-F290 HydrophobicContact CD2-CD2 3.44Å; L200-F290 VanDerWaalsContact CD2-CD2 3.44Å; L200-F290 HydrophobicContact CD2-CE2 3.82Å; L200-F290 HydrophobicContact CD2-CG 3.99Å; L200-F290 HydrophobicContact CG-CB 4.31Å; L200-F290 HydrophobicContact CG-CD2 4.22Å; L200-F290 HydrophobicContact CG-CG 4.36Å; L208-F290 HydrophobicContact CB-CZ 4Å; L208-F290 HydrophobicContact CD1-CE1 4.35Å; L208-F290 HydrophobicContact CD1-CZ 4.42Å; L208-F290 HydrophobicContact CD2-CE1 4.14Å; L208-F290 HydrophobicContact CD2-CZ 3.88Å; L208-F290 HydrophobicContact CG-CZ 4.3Å; L262-F290 HydrophobicContact CD1-CE1 4.41Å; L262-F290 HydrophobicContact CD2-CE1 4.36Å; Y269-F290 HydrophobicContact CD2-CD1 4.37Å; Y269-F290 HydrophobicContact CE2-CD1 4.41Å; F290-L292 PolarHBondContact O-N 2.89Å; F290-L292 VanDerWaalsContact O-N 3.16Å; F290-C293 HydrophobicContact CB-CB 4.5Å; F290-C293 VanDerWaalsContact CD1-SG 3.54Å; F290-C293 WeakPolarHBondContact O-CB 3.34Å; F290-C293 PolarHBondContact O-N 3.33Å
291G70.8Confident81.6Confident17 Ų1740.8 Ų40.818%0.17524%0.243CC..G310 helixtrans-60.9-25.6-174.300000114.2D289D289-G291 PolarHBondContact O-N 3.17Å
292L74.9Confident80.3Confident44 Ų4438.8 Ų38.823%0.2324%0.24CC..G310 helixtrans-101.17.2177.8-64.3-177.2000113.7Y269 R270 D271 F290 C307Y269-L292 CarbonylContact O-C 3.58Å; R270-L292 PolarHBondContact NE-O 3.25Å; R270-L292 PolarHBondContact NH2-O 3.17Å; D271-L292 HydrophobicContact CB-CB 4.1Å; D271-L292 HydrophobicContact CB-CD1 3.74Å; D271-L292 HydrophobicContact CB-CG 4.38Å; F290-L292 PolarHBondContact O-N 2.89Å; F290-L292 VanDerWaalsContact O-N 3.16Å; L292-C307 HydrophobicContact CD1-CB 4.26Å; L292-C307 HydrophobicContact CD2-CB 3.95Å
293C81.4Confident79Confident1 Ų136.5 Ų36.51%0.00723%0.228CC..  trans-64.9149.4177.4-72.10000112.7V199 I267 V268 F290V199-C293 HydrophobicContact CG1-CB 4.45Å; V199-C293 HydrophobicContact CG2-CB 4.23Å; I267-C293 HydrophobicContact CG2-CB 4.13Å; V268-C293 CarbonylContact O-C 3.57Å; V268-C293 VanDerWaalsContact O-CA 3.28Å; V268-C293 WeakPolarHBondContact O-CA 3.41Å; F290-C293 HydrophobicContact CB-CB 4.5Å; F290-C293 VanDerWaalsContact CD1-SG 3.54Å; F290-C293 WeakPolarHBondContact O-CB 3.34Å; F290-C293 PolarHBondContact O-N 3.33Å
294K80.2Confident77.4Confident77 Ų7740.3 Ų40.334%0.33524%0.244SC..EExtended strand (participates in β ladder)trans-128.3125.8172.5-17272.9171.6-175.20111.2I267 V268 I297 M303I267-K294 VanDerWaalsContact CA-O 3.31Å; I267-K294 WeakPolarHBondContact CA-O 3.31Å; V268-K294 PolarHBondContact N-O 3.24Å; V268-K294 PolarHBondContact O-N 3.25Å; K294-I297 HydrophobicContact CB-CG1 4.43Å; K294-I297 HydrophobicContact CG-CD1 3.94Å; K294-I297 HydrophobicContact CG-CG1 4.03Å; K294-M303 HydrophobicContact CB-SD 3.39Å; K294-M303 WeakPolarHBondContact CB-SD 3.44Å; K294-M303 HydrophobicContact CG-CG 4.09Å; K294-M303 HydrophobicContact CG-SD 3.43Å; K294-M303 WeakPolarHBondContact CG-SD 3.23Å
295E81Confident76Confident52 Ų5242.2 Ų42.224%0.24326%0.257CS..EExtended strand (participates in β ladder)trans-88.8160.2173.1-63.5175.9109.300111.8T195 R198 V199 K266 I267T195-E295 HydrophobicContact CG2-CG 3.99Å; R198-E295 IonicContact CZ-OE2 3.58Å; R198-E295 VanDerWaalsContact CZ-OE2 3.3Å; R198-E295 IonicContact NE-OE2 3.92Å; R198-E295 PolarHBondContact NE-OE2 3.45Å; R198-E295 IonicContact NH2-OE2 2.67Å; R198-E295 PolarHBondContact NH2-OE2 3.01Å; V199-E295 HydrophobicContact CG2-CG 3.55Å; K266-E295 CarbonylContact O-C 3.49Å; K266-E295 WeakPolarHBondContact O-CA 3.45Å; I267-E295 HydrophobicContact CG1-CG 4.12Å
296G75.4Confident74.8Confident51 Ų5144.9 Ų44.953%0.52627%0.268SS..  trans8414.8170.800000114.4K266 T298K266-G296 PolarHBondContact O-N 2.84Å; G296-T298 PolarHBondContact O-N 2.63Å
297I72.2Confident73.5Confident16 Ų1645.2 Ų45.28%0.08227%0.272CS..  trans-85.5106.3178.7-55.7-51.2000109.1K266 V268 K294 A301 M303K266-I297 WeakPolarHBondContact CB-O 3.48Å; K266-I297 WeakPolarHBondContact CD-O 3.39Å; K266-I297 PolarHBondContact O-N 3.44Å; V268-I297 HydrophobicContact CG2-CB 3.85Å; V268-I297 HydrophobicContact CG2-CG1 3.94Å; V268-I297 HydrophobicContact CG2-CG2 3.79Å; K294-I297 HydrophobicContact CB-CG1 4.43Å; K294-I297 HydrophobicContact CG-CD1 3.94Å; K294-I297 HydrophobicContact CG-CG1 4.03Å; I297-A301 WeakPolarHBondContact CG2-O 3.25Å; I297-M303 HydrophobicContact CD1-CE 4.46Å; I297-M303 HydrophobicContact CD1-CG 3.3Å; I297-M303 HydrophobicContact CD1-SD 3.85Å; I297-M303 HydrophobicContact CG1-CE 4.21Å; I297-M303 HydrophobicContact CG1-CG 4.03Å; I297-M303 HydrophobicContact CG1-SD 3.92Å
298T68Low72.4Confident65 Ų6546.4 Ų46.440%0.39928%0.284SS..  trans-101.6174.9171.163.20000109.6K266 G296 A300 A301K266-T298 HydrophobicContact CD-CG2 4.43Å; G296-T298 PolarHBondContact O-N 2.63Å; T298-A300 PolarHBondContact O-N 2.94Å; T298-A301 PolarHBondContact O-N 2.87Å; T298-A301 WeakPolarHBondContact OG1-CB 3.46Å; T298-A301 PolarHBondContact OG1-N 2.78Å
299D65.5Low71.9Confident123 Ų12346.7 Ų46.766%0.65829%0.286SS*.THydrogen-bonded Turntrans-60.7-18.9-179.5-51-37.9000112.8R325D299-R325 IonicContact OD1-CZ 3.61Å; D299-R325 IonicContact OD1-NH1 2.73Å; D299-R325 PolarHBondContact OD1-NH1 3.21Å; D299-R325 IonicContact OD1-NH2 2.79Å; D299-R325 PolarHBondContact OD1-NH2 3.33Å
300A57.6Low72Confident92 Ų9244.9 Ų44.976%0.7628%0.278SS*.THydrogen-bonded Turntrans-102.5-16.7175.800000114T298T298-A300 PolarHBondContact O-N 2.94Å
301A57Low72.4Confident34 Ų3446.7 Ų46.728%0.28129%0.287SS..  trans-96.4123.3-176.200000110.2I297 T298I297-A301 WeakPolarHBondContact CG2-O 3.25Å; T298-A301 PolarHBondContact O-N 2.87Å; T298-A301 WeakPolarHBondContact OG1-CB 3.46Å; T298-A301 PolarHBondContact OG1-N 2.78Å
302T65.8Low73.5Confident68 Ų6846.8 Ų46.842%0.41728%0.282SS..  trans-116.8163.8-177.253.80000111.7D322 Y323T302-D322 VanDerWaalsContact CB-CB 3.47Å; T302-D322 HydrophobicContact CG2-CB 3.98Å; T302-D322 WeakPolarHBondContact OG1-CB 3.35Å; T302-D322 PolarHBondContact OG1-OD1 2.78Å; T302-Y323 WeakPolarHBondContact CA-O 3.33Å
303M67.3Low74.3Confident7 Ų745 Ų453%0.03427%0.272CS..BIsolated β-bridgetrans-116.4154.2-179.4-54.9-179.1-85.400110.9V268 R270 K294 I297 D322 Y323V268-M303 HydrophobicContact CB-CE 3.89Å; V268-M303 HydrophobicContact CG1-CE 3.93Å; V268-M303 HydrophobicContact CG2-CE 3.96Å; R270-M303 HydrophobicContact CG-CE 4.34Å; K294-M303 HydrophobicContact CB-SD 3.39Å; K294-M303 WeakPolarHBondContact CB-SD 3.44Å; K294-M303 HydrophobicContact CG-CG 4.09Å; K294-M303 HydrophobicContact CG-SD 3.43Å; K294-M303 WeakPolarHBondContact CG-SD 3.23Å; I297-M303 HydrophobicContact CD1-CE 4.46Å; I297-M303 HydrophobicContact CD1-CG 3.3Å; I297-M303 HydrophobicContact CD1-SD 3.85Å; I297-M303 HydrophobicContact CG1-CE 4.21Å; I297-M303 HydrophobicContact CG1-CG 4.03Å; I297-M303 HydrophobicContact CG1-SD 3.92Å; M303-D322 CarbonylContact O-C 3.54Å; M303-D322 WeakPolarHBondContact O-CA 3.18Å; M303-Y323 HydrophobicContact CB-CD2 4.31Å; M303-Y323 HydrophobicContact CB-CE1 4.23Å; M303-Y323 HydrophobicContact CB-CE2 3.97Å; M303-Y323 HydrophobicContact CE-CD2 3.67Å; M303-Y323 HydrophobicContact CE-CE2 3.38Å; M303-Y323 PolarHBondContact N-O 3.32Å; M303-Y323 VanDerWaalsContact O-CD1 3.27Å; M303-Y323 WeakPolarHBondContact O-CD1 3.44Å; M303-Y323 PolarHBondContact O-N 2.84Å; M303-Y323 HydrophobicContact SD-CE2 4.15Å
304K63.1Low74.8Confident79 Ų7945 Ų4534%0.34327%0.273SS..  trans-122.2-6.5176.8-62.1-177179.6172.80114.4N53 F306 D322N53-K304 PolarHBondContact O-NZ 2.83Å; K304-F306 PolarHBondContact O-N 2.77Å; K304-D322 WeakPolarHBondContact CE-OD1 3.29Å; K304-D322 WeakPolarHBondContact CE-OD2 3.19Å; K304-D322 WeakPolarHBondContact CG-OD1 3.4Å; K304-D322 IonicContact NZ-OD2 2.69Å; K304-D322 PolarHBondContact NZ-OD2 2.76Å
305T68.1Low75.4Confident54 Ų5441.5 Ų41.533%0.33126%0.258SS..  trans-69.1124.7-172.7-50.20000110.6C307 Y323T305-C307 HydrophobicContact CG2-CB 4.46Å; T305-C307 PolarHBondContact O-N 2.87Å; T305-Y323 WeakPolarHBondContact O-CE1 3.3Å; T305-Y323 PolarHBondContact O-OH 2.94Å
306F72.5Confident75.8Confident56 Ų5639.3 Ų39.325%0.24625%0.247CC..  trans-80.2110.3170.6-173.3-90.2000110Y18 K304 L313 V317 L318 F355Y18-F306 HydrophobicContact CD1-CD1 4.1Å; Y18-F306 HydrophobicContact CD1-CD2 4.4Å; Y18-F306 HydrophobicContact CD1-CE1 4.04Å; Y18-F306 HydrophobicContact CD1-CE2 4.31Å; Y18-F306 HydrophobicContact CD1-CG 4.29Å; Y18-F306 HydrophobicContact CD1-CZ 4.14Å; Y18-F306 HydrophobicContact CD2-CB 4.41Å; Y18-F306 HydrophobicContact CD2-CD1 4.46Å; Y18-F306 AromaticContact CD2-CD2 3.4Å; Y18-F306 HydrophobicContact CD2-CD2 3.4Å; Y18-F306 AromaticContact CD2-CE2 3.61Å; Y18-F306 HydrophobicContact CD2-CE2 3.61Å; Y18-F306 AromaticContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CZ 4.26Å; Y18-F306 HydrophobicContact CE1-CB 4.23Å; Y18-F306 AromaticContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD2 4.34Å; Y18-F306 HydrophobicContact CE1-CE1 4.11Å; Y18-F306 AromaticContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE2-CB 3.48Å; Y18-F306 VanDerWaalsContact CE2-CB 3.48Å; Y18-F306 HydrophobicContact CE2-CD1 4.13Å; Y18-F306 AromaticContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CE2 4.03Å; Y18-F306 AromaticContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CG-CD1 4.46Å; Y18-F306 AromaticContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CE1 4.32Å; Y18-F306 AromaticContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CG 4.29Å; Y18-F306 AromaticContact CG-CZ 3.98Å; Y18-F306 HydrophobicContact CG-CZ 3.98Å; Y18-F306 AromaticContact CZ-CD1 3.74Å; Y18-F306 AromaticContact CZ-CD2 3.85Å; Y18-F306 AromaticContact CZ-CG 3.38Å; Y18-F306 WeakPolarHBondContact OH-CB 3.19Å; K304-F306 PolarHBondContact O-N 2.77Å; F306-L313 HydrophobicContact CE1-CD1 4.13Å; F306-L313 HydrophobicContact CE2-CD1 3.91Å; F306-L313 HydrophobicContact CZ-CD1 3.49Å; F306-L313 VanDerWaalsContact CZ-CD1 3.49Å; F306-V317 HydrophobicContact CD2-CG1 3.93Å; F306-V317 HydrophobicContact CE2-CG1 4.42Å; F306-L318 HydrophobicContact CE2-CD2 3.77Å; F306-L318 HydrophobicContact CZ-CD2 4.18Å; F306-F355 HydrophobicContact CZ-CE2 4.42Å; F306-F355 HydrophobicContact CZ-CZ 4.12Å
307C71Confident76.3Confident20 Ų2037.3 Ų37.314%0.13523%0.225CC..  trans-155.3157.1178.261.60000111.1R270 L292 T305 L313R270-C307 VanDerWaalsContact CZ-SG 3.51Å; R270-C307 PolarHBondContact NH1-SG 3.13Å; L292-C307 HydrophobicContact CD1-CB 4.26Å; L292-C307 HydrophobicContact CD2-CB 3.95Å; T305-C307 HydrophobicContact CG2-CB 4.46Å; T305-C307 PolarHBondContact O-N 2.87Å; C307-L313 WeakPolarHBondContact O-CD2 3.48Å
308G72.8Confident76.9Confident24 Ų2436.8 Ų36.825%0.24722%0.222CC..SBendtrans122.4170-178.800000111.9
309T80.6Confident77.4Confident29 Ų2936.3 Ų36.318%0.17822%0.216CC..  trans-74.2126.8173.7-68.30000110.4K273 E311 Y312 L313K273-T309 HydrophobicContact CD-CG2 4.47Å; K273-T309 WeakPolarHBondContact CD-OG1 3.38Å; K273-T309 PolarHBondContact NZ-OG1 2.85Å; T309-E311 VanDerWaalsContact C-N 3.26Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.49Å; T309-E311 PolarHBondContact O-N 3.48Å; T309-Y312 HydrophobicContact CG2-CD2 3.77Å; T309-Y312 HydrophobicContact CG2-CE2 4.22Å; T309-Y312 PolarHBondContact O-N 2.82Å; T309-L313 PolarHBondContact O-N 3.4Å
310P85.7Confident77.5Confident31 Ų3131.3 Ų31.320%0.20119%0.189CC..G310 helixtrans-46.1-41.8-172.3-33.237.5000115.9Y312 L313 L354 F355P310-Y312 VanDerWaalsContact C-N 3.25Å; P310-Y312 PolarHBondContact O-N 2.93Å; P310-L313 PolarHBondContact O-N 2.76Å; P310-L354 HydrophobicContact CB-CD2 4Å; P310-F355 HydrophobicContact CB-CE1 3.87Å; P310-F355 HydrophobicContact CB-CZ 4.23Å
311E90.4Very high78Confident40 Ų4027.5 Ų27.519%0.18716%0.156CC..G310 helixtrans-69.7-20.5-177.1-62.683.317400113.7T309 L344 Y347 L354T309-E311 VanDerWaalsContact C-N 3.26Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.49Å; T309-E311 PolarHBondContact O-N 3.48Å; E311-L344 HydrophobicContact CB-CD1 3.7Å; E311-L344 HydrophobicContact CB-CD2 4.18Å; E311-L344 HydrophobicContact CG-CD1 3.68Å; E311-Y347 HydrophobicContact CG-CD2 4.39Å; E311-L354 HydrophobicContact CG-CD2 4Å
312Y93.6Very high78.7Confident20 Ų2027.9 Ų27.98%0.07815%0.153CC..G310 helixtrans-107-3.1-178.3-64.6-98.3000112.5L272 K273 L274 T309 P310 A314 W330 V334 V335 E338 L344L272-Y312 WeakPolarHBondContact O-CD1 3.44Å; K273-Y312 HydrophobicContact CB-CD1 4.07Å; K273-Y312 HydrophobicContact CB-CD2 3.88Å; K273-Y312 HydrophobicContact CB-CE1 3.86Å; K273-Y312 HydrophobicContact CB-CE2 3.65Å; K273-Y312 HydrophobicContact CB-CG 4.06Å; L274-Y312 PolarHBondContact N-OH 2.86Å; T309-Y312 HydrophobicContact CG2-CD2 3.77Å; T309-Y312 HydrophobicContact CG2-CE2 4.22Å; T309-Y312 PolarHBondContact O-N 2.82Å; P310-Y312 VanDerWaalsContact C-N 3.25Å; P310-Y312 PolarHBondContact O-N 2.93Å; Y312-A314 PolarHBondContact O-N 3.37Å; Y312-W330 VanDerWaalsContact O-CD1 3.24Å; Y312-W330 PolarHBondContact O-NE1 3.5Å; Y312-V334 HydrophobicContact CD1-CB 3.88Å; Y312-V334 HydrophobicContact CD1-CG1 3.38Å; Y312-V334 HydrophobicContact CE1-CB 4.39Å; Y312-V334 HydrophobicContact CE1-CG1 3.65Å; Y312-V334 HydrophobicContact CG-CG1 4.06Å; Y312-V335 HydrophobicContact CD1-CG2 4.1Å; Y312-V335 HydrophobicContact CE1-CG2 3.65Å; Y312-E338 PolarHBondContact OH-OE2 3.2Å; Y312-L344 HydrophobicContact CE1-CD2 4.46Å; Y312-L344 HydrophobicContact CE2-CD2 4.24Å
313L91.9Very high79.4Confident6 Ų625 Ų253%0.03114%0.135CC..  trans-64.1133.3-178.7-69.6179.8000111.5F306 C307 T309 P310 V317 L318 W330 F355F306-L313 HydrophobicContact CE1-CD1 4.13Å; F306-L313 HydrophobicContact CE2-CD1 3.91Å; F306-L313 HydrophobicContact CZ-CD1 3.49Å; F306-L313 VanDerWaalsContact CZ-CD1 3.49Å; C307-L313 WeakPolarHBondContact O-CD2 3.48Å; T309-L313 PolarHBondContact O-N 3.4Å; P310-L313 PolarHBondContact O-N 2.76Å; L313-V317 HydrophobicContact CD2-CG1 4.22Å; L313-L318 HydrophobicContact CB-CD2 3.97Å; L313-L318 HydrophobicContact CB-CG 4.42Å; L313-L318 HydrophobicContact CD1-CD2 3.68Å; L313-L318 HydrophobicContact CG-CD2 4.48Å; L313-W330 PolarHBondContact O-NE1 3.24Å; L313-F355 HydrophobicContact CD1-CE1 4.09Å; L313-F355 HydrophobicContact CD1-CZ 4.42Å
314A92.3Very high80.3Confident2 Ų225.8 Ų25.82%0.01714%0.144CC..  trans-73.7147.8174.300000111.1Y312 E316 V317 L318 V327 W330Y312-A314 PolarHBondContact O-N 3.37Å; A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 HydrophobicContact CB-CG 4.45Å; A314-E316 WeakPolarHBondContact CB-OE2 3.28Å; A314-E316 PolarHBondContact O-N 3.47Å; A314-V317 HydrophobicContact CB-CG2 4.27Å; A314-V317 WeakPolarHBondContact O-CB 3.33Å; A314-V317 PolarHBondContact O-N 3.1Å; A314-L318 PolarHBondContact O-N 3.32Å; A314-V327 HydrophobicContact CB-CB 4.19Å; A314-V327 HydrophobicContact CB-CG1 3.99Å; A314-W330 VanDerWaalsContact CA-CD1 3.47Å; A314-W330 HydrophobicContact CB-CB 3.77Å; A314-W330 HydrophobicContact CB-CD2 4.23Å; A314-W330 HydrophobicContact CB-CG 3.63Å
315P92Very high81.6Confident3 Ų323.9 Ų23.92%0.01914%0.135CC..Hα-helixtrans-49.2-44.9179.3-32.538.7000113.7V317 L318 E319 W330 I358 L359 K383P315-V317 VanDerWaalsContact C-N 3.26Å; P315-V317 PolarHBondContact O-N 3.26Å; P315-L318 WeakPolarHBondContact O-CA 3.41Å; P315-L318 WeakPolarHBondContact O-CB 3.37Å; P315-L318 PolarHBondContact O-N 3.16Å; P315-E319 VanDerWaalsContact O-CG 3.3Å; P315-E319 WeakPolarHBondContact O-CG 3.19Å; P315-E319 PolarHBondContact O-N 3.18Å; P315-W330 HydrophobicContact CG-CE3 4.16Å; P315-W330 HydrophobicContact CG-CH2 3.64Å; P315-W330 HydrophobicContact CG-CZ2 4.11Å; P315-W330 HydrophobicContact CG-CZ3 3.67Å; P315-I358 HydrophobicContact CB-CG2 4.47Å; P315-I358 HydrophobicContact CG-CG2 3.82Å; P315-L359 HydrophobicContact CB-CD2 3.85Å; P315-K383 HydrophobicContact CB-CB 4.34Å; P315-K383 HydrophobicContact CG-CB 4.1Å; P315-K383 HydrophobicContact CG-CG 4.3Å
316E89.3Confident82.9Confident5 Ų521.8 Ų21.82%0.02312%0.123CC..Hα-helixtrans-64.2-27.3-17864.1-87.7-152.900113.8A314 E319 N321 V327 P385 R388A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 HydrophobicContact CB-CG 4.45Å; A314-E316 WeakPolarHBondContact CB-OE2 3.28Å; A314-E316 PolarHBondContact O-N 3.47Å; E316-E319 PolarHBondContact O-N 2.83Å; E316-N321 PolarHBondContact O-N 3.25Å; E316-V327 HydrophobicContact CG-CG1 4.05Å; E316-V327 WeakPolarHBondContact OE1-CG1 3.42Å; E316-P385 HydrophobicContact CB-CG 4.27Å; E316-P385 HydrophobicContact CG-CG 4.33Å; E316-R388 IonicContact OE1-CZ 2.74Å; E316-R388 IonicContact OE1-NH1 2.79Å; E316-R388 PolarHBondContact OE1-NH1 2.67Å; E316-R388 IonicContact OE1-NH2 3.21Å; E316-R388 PolarHBondContact OE1-NH2 3.35Å; E316-R388 IonicContact OE2-CZ 3.42Å; E316-R388 IonicContact OE2-NH1 3.11Å; E316-R388 IonicContact OE2-NH2 3.45Å; E316-R388 PolarHBondContact OE2-NH2 3.33Å
317V86.7Confident83.9Confident9 Ų919.7 Ų19.76%0.05511%0.114CC..Hα-helixtrans-70.4-37.7173.2-176.50000110.1F306 L313 A314 P315 E319 Y323 V327F306-V317 HydrophobicContact CD2-CG1 3.93Å; F306-V317 HydrophobicContact CE2-CG1 4.42Å; L313-V317 HydrophobicContact CD2-CG1 4.22Å; A314-V317 HydrophobicContact CB-CG2 4.27Å; A314-V317 WeakPolarHBondContact O-CB 3.33Å; A314-V317 PolarHBondContact O-N 3.1Å; P315-V317 VanDerWaalsContact C-N 3.26Å; P315-V317 PolarHBondContact O-N 3.26Å; V317-E319 VanDerWaalsContact C-N 3.34Å; V317-Y323 HydrophobicContact CB-CE1 4.48Å; V317-Y323 HydrophobicContact CG1-CE1 4.24Å; V317-Y323 HydrophobicContact CG2-CD1 4Å; V317-Y323 HydrophobicContact CG2-CD2 4.2Å; V317-Y323 HydrophobicContact CG2-CE1 4.01Å; V317-Y323 HydrophobicContact CG2-CE2 4.19Å; V317-Y323 HydrophobicContact CG2-CG 4.11Å; V317-V327 HydrophobicContact CG2-CG1 3.78Å
318L84.7Confident85.1Confident5 Ų518.8 Ų18.83%0.02611%0.108CC..Hα-helixtrans-73.8-25.4177.7-54.1179000113I19 F306 L313 A314 P315 D320 F355 I358 L359I19-L318 HydrophobicContact CD1-CB 4.43Å; F306-L318 HydrophobicContact CE2-CD2 3.77Å; F306-L318 HydrophobicContact CZ-CD2 4.18Å; L313-L318 HydrophobicContact CB-CD2 3.97Å; L313-L318 HydrophobicContact CB-CG 4.42Å; L313-L318 HydrophobicContact CD1-CD2 3.68Å; L313-L318 HydrophobicContact CG-CD2 4.48Å; A314-L318 PolarHBondContact O-N 3.32Å; P315-L318 WeakPolarHBondContact O-CA 3.41Å; P315-L318 WeakPolarHBondContact O-CB 3.37Å; P315-L318 PolarHBondContact O-N 3.16Å; L318-D320 VanDerWaalsContact C-N 3.26Å; L318-D320 PolarHBondContact O-N 3.43Å; L318-F355 HydrophobicContact CD1-CB 3.94Å; L318-F355 HydrophobicContact CD1-CD1 3.98Å; L318-F355 HydrophobicContact CD1-CG 4.2Å; L318-F355 HydrophobicContact CD2-CB 4.47Å; L318-F355 HydrophobicContact CD2-CD1 3.6Å; L318-F355 HydrophobicContact CD2-CD2 4.42Å; L318-F355 HydrophobicContact CD2-CE1 3.84Å; L318-F355 HydrophobicContact CD2-CG 3.93Å; L318-F355 HydrophobicContact CD2-CZ 4.36Å; L318-F355 HydrophobicContact CG-CD1 4.46Å; L318-I358 HydrophobicContact CD1-CB 3.86Å; L318-I358 HydrophobicContact CD1-CD1 4.16Å; L318-I358 HydrophobicContact CD1-CG2 3.6Å; L318-L359 HydrophobicContact CB-CD2 4.17Å; L318-L359 HydrophobicContact CB-CG 4.44Å; L318-L359 HydrophobicContact CD1-CD2 4.38Å; L318-L359 HydrophobicContact CD1-CG 4.24Å
319E78.7Confident86.3Confident56 Ų5617.6 Ų17.626%0.26210%0.097SC..THydrogen-bonded Turntrans-79.5-4.2178.8-62.1-146.1102.100114.1R23 R25 P315 E316 V317 N321 L359R23-E319 VanDerWaalsContact NH1-CG 3.26Å; R23-E319 IonicContact NH1-OE1 3.59Å; R23-E319 PolarHBondContact NH1-OE1 3.31Å; R25-E319 IonicContact NH2-OE1 3.92Å; P315-E319 VanDerWaalsContact O-CG 3.3Å; P315-E319 WeakPolarHBondContact O-CG 3.19Å; P315-E319 PolarHBondContact O-N 3.18Å; E316-E319 PolarHBondContact O-N 2.83Å; V317-E319 VanDerWaalsContact C-N 3.34Å; E319-N321 VanDerWaalsContact CB-ND2 3.28Å; E319-N321 WeakPolarHBondContact CB-ND2 3.39Å; E319-N321 PolarHBondContact O-N 2.78Å; E319-N321 PolarHBondContact OE2-ND2 3.05Å; E319-L359 HydrophobicContact CG-CD2 3.66Å
320D67.1Low87.1Confident17 Ų1716.3 Ų16.39%0.0919%0.088CC..THydrogen-bonded Turntrans54.438.4-172.2-17745.1000110.9K14 N52 R85 L318K14-D320 IonicContact NZ-OD2 2.84Å; K14-D320 PolarHBondContact NZ-OD2 3.38Å; N52-D320 PolarHBondContact ND2-O 3.27Å; R85-D320 IonicContact CZ-OD2 3.46Å; R85-D320 IonicContact NE-OD2 3.85Å; R85-D320 IonicContact NH2-OD1 2.67Å; R85-D320 PolarHBondContact NH2-OD1 2.87Å; R85-D320 VanDerWaalsContact NH2-OD1 3.17Å; R85-D320 IonicContact NH2-OD2 3.18Å; R85-D320 PolarHBondContact NH2-OD2 3.31Å; L318-D320 VanDerWaalsContact C-N 3.26Å; L318-D320 PolarHBondContact O-N 3.43Å
321N66.6Low87.7Confident13 Ų1315 Ų157%0.078%0.081CC..  trans-91.8152.7171.8-62.2-27.6000109.1L51 E316 E319 Y323L51-N321 WeakPolarHBondContact CB-OD1 3.04Å; L51-N321 WeakPolarHBondContact O-CA 3.35Å; L51-N321 PolarHBondContact O-OD1 3.38Å; E316-N321 PolarHBondContact O-N 3.25Å; E319-N321 VanDerWaalsContact CB-ND2 3.28Å; E319-N321 WeakPolarHBondContact CB-ND2 3.39Å; E319-N321 PolarHBondContact O-N 2.78Å; E319-N321 PolarHBondContact OE2-ND2 3.05Å; N321-Y323 PolarHBondContact O-N 3.09Å
322D72.2Confident88Confident42 Ų4213.1 Ų13.123%0.2257%0.072CC..  trans-56.7118.7162.6-93-48.5000109.7T302 M303 K304T302-D322 VanDerWaalsContact CB-CB 3.47Å; T302-D322 HydrophobicContact CG2-CB 3.98Å; T302-D322 WeakPolarHBondContact OG1-CB 3.35Å; T302-D322 PolarHBondContact OG1-OD1 2.78Å; M303-D322 CarbonylContact O-C 3.54Å; M303-D322 WeakPolarHBondContact O-CA 3.18Å; K304-D322 WeakPolarHBondContact CE-OD1 3.29Å; K304-D322 WeakPolarHBondContact CE-OD2 3.19Å; K304-D322 WeakPolarHBondContact CG-OD1 3.4Å; K304-D322 IonicContact NZ-OD2 2.69Å; K304-D322 PolarHBondContact NZ-OD2 2.76Å
323Y80.4Confident88.3Confident8 Ų812.2 Ų12.23%0.0317%0.068CC..BIsolated β-bridgetrans-124.1152.8-176.469-96.4000113R270 T302 M303 T305 V317 N321 V327R270-Y323 PolarHBondContact NH1-OH 3.04Å; R270-Y323 VanDerWaalsContact NH1-OH 3.13Å; T302-Y323 WeakPolarHBondContact CA-O 3.33Å; M303-Y323 HydrophobicContact CB-CD2 4.31Å; M303-Y323 HydrophobicContact CB-CE1 4.23Å; M303-Y323 HydrophobicContact CB-CE2 3.97Å; M303-Y323 HydrophobicContact CE-CD2 3.67Å; M303-Y323 HydrophobicContact CE-CE2 3.38Å; M303-Y323 PolarHBondContact N-O 3.32Å; M303-Y323 VanDerWaalsContact O-CD1 3.27Å; M303-Y323 WeakPolarHBondContact O-CD1 3.44Å; M303-Y323 PolarHBondContact O-N 2.84Å; M303-Y323 HydrophobicContact SD-CE2 4.15Å; T305-Y323 WeakPolarHBondContact O-CE1 3.3Å; T305-Y323 PolarHBondContact O-OH 2.94Å; V317-Y323 HydrophobicContact CB-CE1 4.48Å; V317-Y323 HydrophobicContact CG1-CE1 4.24Å; V317-Y323 HydrophobicContact CG2-CD1 4Å; V317-Y323 HydrophobicContact CG2-CD2 4.2Å; V317-Y323 HydrophobicContact CG2-CE1 4.01Å; V317-Y323 HydrophobicContact CG2-CE2 4.19Å; V317-Y323 HydrophobicContact CG2-CG 4.11Å; N321-Y323 PolarHBondContact O-N 3.09Å; Y323-V327 HydrophobicContact CD2-CB 4.44Å; Y323-V327 HydrophobicContact CD2-CG1 3.4Å; Y323-V327 VanDerWaalsContact CD2-CG1 3.4Å; Y323-V327 HydrophobicContact CD2-CG2 4.2Å; Y323-V327 HydrophobicContact CE2-CG1 4.06Å; Y323-V327 HydrophobicContact CE2-CG2 4.29Å; Y323-V327 HydrophobicContact CG-CG1 4.01Å
324G86.5Confident88.6Confident22 Ų2212 Ų1223%0.2277%0.067CC..  trans-120.1-154.4-176.200000113A326 V327G324-A326 PolarHBondContact O-N 3.2Å; G324-V327 WeakPolarHBondContact O-CG2 3.15Å
325R91.6Very high88.9Confident40 Ų4011.9 Ų11.915%0.1517%0.066CC..THydrogen-bonded Turntrans-62.8-18.9-177.671-174.5-178.9-138.7-3.1115.3H263 V268 D299 V327 D328 G392 P393 D395H263-R325 PolarHBondContact CE1-O 2.79Å; V268-R325 HydrophobicContact CG2-CB 3.86Å; D299-R325 IonicContact OD1-CZ 3.61Å; D299-R325 IonicContact OD1-NH1 2.73Å; D299-R325 PolarHBondContact OD1-NH1 3.21Å; D299-R325 IonicContact OD1-NH2 2.79Å; D299-R325 PolarHBondContact OD1-NH2 3.33Å; R325-V327 PolarHBondContact O-N 2.77Å; R325-D328 PolarHBondContact O-N 3.37Å; R325-D328 VanDerWaalsContact O-N 3.09Å; R325-G392 PolarHBondContact NH2-O 2.91Å; R325-P393 PolarHBondContact NH2-O 2.89Å; R325-D395 WeakPolarHBondContact CD-OD1 3.29Å; R325-D395 IonicContact CZ-OD1 2.75Å; R325-D395 IonicContact NE-OD1 2.7Å; R325-D395 PolarHBondContact NE-OD1 2.64Å; R325-D395 IonicContact NE-OD2 2.63Å
326A94Very high89.2Confident10 Ų1011.7 Ų11.78%0.0837%0.065CC..Hα-helixtrans-59.3-20.9-179.400000114.1G324 D328 W329 W330 P385 R388G324-A326 PolarHBondContact O-N 3.2Å; A326-D328 VanDerWaalsContact C-N 3.27Å; A326-D328 PolarHBondContact O-N 2.86Å; A326-W329 PolarHBondContact O-N 3Å; A326-W330 PolarHBondContact O-N 2.98Å; A326-P385 HydrophobicContact CB-CB 3.81Å; A326-R388 VanDerWaalsContact C-NH1 3.29Å; A326-R388 PolarHBondContact O-NH1 2.92Å
327V93.7Very high89.6Confident11 Ų1111.6 Ų11.67%0.0677%0.065CC..Hα-helixtrans-62.6-32.7176.2-61.40000112.6V268 R270 A314 E316 V317 Y323 G324 R325 W329 W330 G331V268-V327 HydrophobicContact CG1-CG2 3.7Å; R270-V327 HydrophobicContact CG-CG2 4.15Å; A314-V327 HydrophobicContact CB-CB 4.19Å; A314-V327 HydrophobicContact CB-CG1 3.99Å; E316-V327 HydrophobicContact CG-CG1 4.05Å; E316-V327 WeakPolarHBondContact OE1-CG1 3.42Å; V317-V327 HydrophobicContact CG2-CG1 3.78Å; Y323-V327 HydrophobicContact CD2-CB 4.44Å; Y323-V327 HydrophobicContact CD2-CG1 3.4Å; Y323-V327 VanDerWaalsContact CD2-CG1 3.4Å; Y323-V327 HydrophobicContact CD2-CG2 4.2Å; Y323-V327 HydrophobicContact CE2-CG1 4.06Å; Y323-V327 HydrophobicContact CE2-CG2 4.29Å; Y323-V327 HydrophobicContact CG-CG1 4.01Å; G324-V327 WeakPolarHBondContact O-CG2 3.15Å; R325-V327 PolarHBondContact O-N 2.77Å; V327-W329 VanDerWaalsContact C-N 3.3Å; V327-W329 PolarHBondContact O-N 3.47Å; V327-W330 WeakPolarHBondContact O-CB 3.49Å; V327-W330 PolarHBondContact O-N 3.44Å; V327-G331 PolarHBondContact O-N 3.01Å
328D96.2Very high90.1Very high1 Ų112.1 Ų12.11%0.0057%0.067CC..Hα-helixtrans-69.9-32.5179.2-73.1-11.5000111L259 H263 V268 Y269 R270 R325 A326 G331 L332L259-D328 HydrophobicContact CD1-CB 4.11Å; L259-D328 HydrophobicContact CD2-CB 4.06Å; H263-D328 IonicContact CD2-OD2 3.62Å; H263-D328 IonicContact NE2-OD2 2.8Å; H263-D328 PolarHBondContact NE2-OD2 3.08Å; H263-D328 VanDerWaalsContact NE2-OD2 3.09Å; V268-D328 WeakPolarHBondContact CG1-OD2 3.1Å; Y269-D328 WeakPolarHBondContact CB-OD2 3.29Å; Y269-D328 PolarHBondContact N-OD2 3.5Å; R270-D328 WeakPolarHBondContact CA-OD1 3.17Å; R270-D328 PolarHBondContact N-OD1 3.11Å; R325-D328 PolarHBondContact O-N 3.37Å; R325-D328 VanDerWaalsContact O-N 3.09Å; A326-D328 VanDerWaalsContact C-N 3.27Å; A326-D328 PolarHBondContact O-N 2.86Å; D328-G331 PolarHBondContact O-N 3.47Å; D328-L332 PolarHBondContact O-N 3.42Å
329W98Very high90.8Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-73-32.3175-55.3133000113.1V256 L259 H263 A326 V327 L332 G333 L380 G390 D395 A396 I399V256-W329 HydrophobicContact CG1-CH2 4.44Å; V256-W329 HydrophobicContact CG1-CZ3 4.44Å; V256-W329 HydrophobicContact CG2-CZ3 4.16Å; L259-W329 HydrophobicContact CB-CH2 3.68Å; L259-W329 HydrophobicContact CB-CZ2 4.48Å; L259-W329 HydrophobicContact CB-CZ3 3.8Å; L259-W329 HydrophobicContact CD1-CE3 3.97Å; L259-W329 HydrophobicContact CD1-CH2 4.4Å; L259-W329 HydrophobicContact CD1-CZ3 3.69Å; L259-W329 HydrophobicContact CG-CZ3 4.41Å; H263-W329 AromaticContact CE1-CE2 3.58Å; H263-W329 AromaticContact CE1-CZ2 3.62Å; H263-W329 AromaticContact CE1-NE1 3.63Å; H263-W329 AromaticContact ND1-CE2 3.82Å; H263-W329 AromaticContact ND1-CZ2 3.53Å; H263-W329 AromaticContact ND1-NE1 3.84Å; A326-W329 PolarHBondContact O-N 3Å; V327-W329 VanDerWaalsContact C-N 3.3Å; V327-W329 PolarHBondContact O-N 3.47Å; W329-L332 HydrophobicContact CE3-CB 4.48Å; W329-L332 HydrophobicContact CE3-CD2 3.82Å; W329-L332 HydrophobicContact CZ3-CD2 4.05Å; W329-L332 PolarHBondContact O-N 3.29Å; W329-G333 PolarHBondContact O-N 3.07Å; W329-L380 HydrophobicContact CB-CD2 4.18Å; W329-G390 VanDerWaalsContact CD1-C 3.4Å; W329-G390 PolarHBondContact NE1-O 3.35Å; W329-D395 PolarHBondContact NE1-OD1 3.19Å; W329-A396 HydrophobicContact CH2-CB 3.6Å; W329-A396 HydrophobicContact CZ2-CB 3.64Å; W329-I399 HydrophobicContact CB-CD1 4.28Å; W329-I399 HydrophobicContact CD2-CD1 3.23Å; W329-I399 HydrophobicContact CE3-CD1 3.14Å; W329-I399 HydrophobicContact CG-CD1 3.76Å; W329-I399 HydrophobicContact CH2-CD1 4.03Å; W329-I399 HydrophobicContact CZ2-CD1 4.11Å; W329-I399 HydrophobicContact CZ3-CD1 3.56Å
330W97.7Very high91.7Very high2 Ų29.8 Ų9.81%0.0086%0.056CC..Hα-helixtrans-62.1-49.6167173.7-86.5000110.6Y312 L313 A314 P315 A326 V327 L332 G333 V334 F346 I358 L381Y312-W330 VanDerWaalsContact O-CD1 3.24Å; Y312-W330 PolarHBondContact O-NE1 3.5Å; L313-W330 PolarHBondContact O-NE1 3.24Å; A314-W330 VanDerWaalsContact CA-CD1 3.47Å; A314-W330 HydrophobicContact CB-CB 3.77Å; A314-W330 HydrophobicContact CB-CD2 4.23Å; A314-W330 HydrophobicContact CB-CG 3.63Å; P315-W330 HydrophobicContact CG-CE3 4.16Å; P315-W330 HydrophobicContact CG-CH2 3.64Å; P315-W330 HydrophobicContact CG-CZ2 4.11Å; P315-W330 HydrophobicContact CG-CZ3 3.67Å; A326-W330 PolarHBondContact O-N 2.98Å; V327-W330 WeakPolarHBondContact O-CB 3.49Å; V327-W330 PolarHBondContact O-N 3.44Å; W330-L332 VanDerWaalsContact C-N 3.25Å; W330-L332 PolarHBondContact O-N 3.4Å; W330-G333 CarbonylContact O-C 3.49Å; W330-G333 WeakPolarHBondContact O-CA 3.5Å; W330-G333 PolarHBondContact O-N 3.24Å; W330-V334 WeakPolarHBondContact O-CG2 3.38Å; W330-V334 PolarHBondContact O-N 3.3Å; W330-F346 AromaticContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CZ2-CD2 4.39Å; W330-F346 HydrophobicContact CZ2-CE2 4.01Å; W330-I358 HydrophobicContact CH2-CG2 4.32Å; W330-I358 HydrophobicContact CZ2-CG2 3.89Å; W330-L381 HydrophobicContact CD2-CD2 4.06Å; W330-L381 HydrophobicContact CE3-CD2 4.07Å; W330-L381 HydrophobicContact CH2-CD2 4.41Å; W330-L381 HydrophobicContact CZ2-CD2 4.38Å; W330-L381 HydrophobicContact CZ3-CB 4.21Å; W330-L381 HydrophobicContact CZ3-CD2 4.26Å; W330-L381 WeakPolarHBondContact CZ3-O 3.39Å
331G97.4Very high93.1Very high4 Ų410.1 Ų10.14%0.0416%0.059CC..Hα-helixtrans-54.1-43175.800000112L272 V327 D328 G333 V334 V335L272-G331 VanDerWaalsContact CD2-C 3.48Å; V327-G331 PolarHBondContact O-N 3.01Å; D328-G331 PolarHBondContact O-N 3.47Å; G331-G333 VanDerWaalsContact C-N 3.34Å; G331-G333 PolarHBondContact O-N 2.89Å; G331-V334 PolarHBondContact O-N 2.92Å; G331-V335 WeakPolarHBondContact O-CB 3.46Å; G331-V335 WeakPolarHBondContact O-CG2 3.41Å; G331-V335 PolarHBondContact O-N 2.93Å
332L98.6Very high94.5Very high0 Ų011.2 Ų11.20%07%0.073CC..Hα-helixtrans-60.4-44.5175177.167.4000111.2I255 V256 L272 D328 W329 W330 V334 V335 M336 L380 I399I255-L332 HydrophobicContact CB-CD1 4.09Å; I255-L332 HydrophobicContact CD1-CD1 4.48Å; I255-L332 HydrophobicContact CG2-CD1 3.74Å; V256-L332 HydrophobicContact CG2-CD2 3.43Å; V256-L332 VanDerWaalsContact CG2-CD2 3.43Å; L272-L332 VanDerWaalsContact CD2-CA 3.48Å; L272-L332 HydrophobicContact CD2-CB 3.98Å; L272-L332 VanDerWaalsContact CD2-N 3.25Å; D328-L332 PolarHBondContact O-N 3.42Å; W329-L332 HydrophobicContact CE3-CB 4.48Å; W329-L332 HydrophobicContact CE3-CD2 3.82Å; W329-L332 HydrophobicContact CZ3-CD2 4.05Å; W329-L332 PolarHBondContact O-N 3.29Å; W330-L332 VanDerWaalsContact C-N 3.25Å; W330-L332 PolarHBondContact O-N 3.4Å; L332-V334 VanDerWaalsContact C-N 3.35Å; L332-V334 PolarHBondContact O-N 3.44Å; L332-V335 PolarHBondContact O-N 3.45Å; L332-M336 HydrophobicContact CD1-CG 3.88Å; L332-M336 HydrophobicContact CD1-SD 3.71Å; L332-M336 HydrophobicContact CD2-SD 4.33Å; L332-M336 HydrophobicContact CG-CG 4.29Å; L332-M336 HydrophobicContact CG-SD 3.82Å; L332-M336 WeakPolarHBondContact O-CB 3.14Å; L332-M336 VanDerWaalsContact O-CG 3.29Å; L332-M336 WeakPolarHBondContact O-CG 3.42Å; L332-M336 PolarHBondContact O-N 2.92Å; L332-L380 HydrophobicContact CD2-CD1 4.18Å; L332-L380 HydrophobicContact CD2-CD2 4.31Å; L332-L380 HydrophobicContact CG-CD1 4.2Å; L332-I399 HydrophobicContact CD2-CD1 4.49Å; L332-I399 HydrophobicContact CD2-CG2 4.48Å
333G98.5Very high95.5Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-57.7-44.8174.900000112.6W329 W330 G331 Y337 L377W329-G333 PolarHBondContact O-N 3.07Å; W330-G333 CarbonylContact O-C 3.49Å; W330-G333 WeakPolarHBondContact O-CA 3.5Å; W330-G333 PolarHBondContact O-N 3.24Å; G331-G333 VanDerWaalsContact C-N 3.34Å; G331-G333 PolarHBondContact O-N 2.89Å; G333-Y337 WeakPolarHBondContact O-CB 3.17Å; G333-Y337 PolarHBondContact O-N 3.22Å; G333-L377 WeakPolarHBondContact O-CD2 3.47Å
334V98.4Very high96.3Very high1 Ų117.2 Ų17.21%0.00610%0.095CC..Hα-helixtrans-64.7-49.6178.4177.50000110.5Y312 W330 G331 L332 M336 Y337 E338 L344 P345 L381Y312-V334 HydrophobicContact CD1-CB 3.88Å; Y312-V334 HydrophobicContact CD1-CG1 3.38Å; Y312-V334 HydrophobicContact CE1-CB 4.39Å; Y312-V334 HydrophobicContact CE1-CG1 3.65Å; Y312-V334 HydrophobicContact CG-CG1 4.06Å; W330-V334 WeakPolarHBondContact O-CG2 3.38Å; W330-V334 PolarHBondContact O-N 3.3Å; G331-V334 PolarHBondContact O-N 2.92Å; L332-V334 VanDerWaalsContact C-N 3.35Å; L332-V334 PolarHBondContact O-N 3.44Å; V334-M336 PolarHBondContact O-N 2.9Å; V334-Y337 WeakPolarHBondContact O-CB 3.2Å; V334-Y337 PolarHBondContact O-N 3.32Å; V334-E338 WeakPolarHBondContact O-CB 3.41Å; V334-E338 PolarHBondContact O-N 3.44Å; V334-L344 HydrophobicContact CG1-CD2 3.82Å; V334-P345 HydrophobicContact CB-CG 4.48Å; V334-P345 HydrophobicContact CG1-CG 4.15Å; V334-P345 HydrophobicContact CG2-CG 4.15Å; V334-L381 HydrophobicContact CG2-CD2 3.86Å
335V98.2Very high96.8Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-59.1-47.5178.9159.50000111.5I255 L272 L274 L277 Y312 G331 L332 E338 M339I255-V335 HydrophobicContact CD1-CG1 4.29Å; L272-V335 HydrophobicContact CD2-CG2 4.35Å; L272-V335 HydrophobicContact CG-CG2 4.29Å; L274-V335 HydrophobicContact CD2-CG1 3.88Å; L277-V335 HydrophobicContact CD1-CG1 3.7Å; L277-V335 HydrophobicContact CD1-CG2 4.23Å; Y312-V335 HydrophobicContact CD1-CG2 4.1Å; Y312-V335 HydrophobicContact CE1-CG2 3.65Å; G331-V335 WeakPolarHBondContact O-CB 3.46Å; G331-V335 WeakPolarHBondContact O-CG2 3.41Å; G331-V335 PolarHBondContact O-N 2.93Å; L332-V335 PolarHBondContact O-N 3.45Å; V335-E338 PolarHBondContact O-N 3.03Å; V335-M339 HydrophobicContact CG1-CE 3.32Å; V335-M339 WeakPolarHBondContact O-CG 3.33Å; V335-M339 PolarHBondContact O-N 3.4Å
336M98.6Very high97Very high0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-69-36.6178.8-70.6-175.875.800112.3T248 L332 V334 E338 M339 M340 L376 L377 L380 F404 F405T248-M336 HydrophobicContact CG2-CB 4.01Å; T248-M336 HydrophobicContact CG2-CE 3.86Å; T248-M336 HydrophobicContact CG2-CG 4.03Å; L332-M336 HydrophobicContact CD1-CG 3.88Å; L332-M336 HydrophobicContact CD1-SD 3.71Å; L332-M336 HydrophobicContact CD2-SD 4.33Å; L332-M336 HydrophobicContact CG-CG 4.29Å; L332-M336 HydrophobicContact CG-SD 3.82Å; L332-M336 WeakPolarHBondContact O-CB 3.14Å; L332-M336 VanDerWaalsContact O-CG 3.29Å; L332-M336 WeakPolarHBondContact O-CG 3.42Å; L332-M336 PolarHBondContact O-N 2.92Å; V334-M336 PolarHBondContact O-N 2.9Å; M336-E338 VanDerWaalsContact C-N 3.34Å; M336-M339 HydrophobicContact CG-CE 4.04Å; M336-M339 PolarHBondContact O-N 3.12Å; M336-M340 HydrophobicContact CB-CE 4.1Å; M336-M340 VanDerWaalsContact O-CE 3.23Å; M336-M340 WeakPolarHBondContact O-CE 3Å; M336-M340 PolarHBondContact O-N 3.05Å; M336-M340 VanDerWaalsContact O-N 3.1Å; M336-L376 HydrophobicContact CE-CD2 3.51Å; M336-L376 HydrophobicContact SD-CD2 4.06Å; M336-L377 HydrophobicContact CB-CD2 4.04Å; M336-L380 HydrophobicContact SD-CD1 4.34Å; M336-F404 HydrophobicContact CE-CD1 4.08Å; M336-F404 HydrophobicContact CE-CE1 3.48Å; M336-F404 VanDerWaalsContact CE-CE1 3.48Å; M336-F404 HydrophobicContact CE-CZ 4.23Å; M336-F405 HydrophobicContact CE-CE1 4.5Å; M336-F405 HydrophobicContact CE-CZ 3.88Å; M336-F405 HydrophobicContact SD-CZ 4.33Å
337Y98.5Very high97Very high3 Ų321.5 Ų21.51%0.01211%0.106CC..Hα-helixtrans-59.7-48.3172.4-177.2-76.4000110G333 V334 M339 M340 C341 R343 P345 I363 K364 F365 L377 L381G333-Y337 WeakPolarHBondContact O-CB 3.17Å; G333-Y337 PolarHBondContact O-N 3.22Å; V334-Y337 WeakPolarHBondContact O-CB 3.2Å; V334-Y337 PolarHBondContact O-N 3.32Å; Y337-M339 PolarHBondContact O-N 3.42Å; Y337-M340 PolarHBondContact O-N 3.17Å; Y337-C341 HydrophobicContact CD1-CB 3.88Å; Y337-C341 HydrophobicContact CE1-CB 3.55Å; Y337-C341 WeakPolarHBondContact O-CB 3.16Å; Y337-C341 PolarHBondContact O-N 3.38Å; Y337-C341 PolarHBondContact O-SG 3.36Å; Y337-R343 WeakPolarHBondContact CD1-O 3.23Å; Y337-R343 HydrophobicContact CE1-CG 4.37Å; Y337-R343 VanDerWaalsContact CE1-O 3.23Å; Y337-R343 WeakPolarHBondContact CE1-O 3.46Å; Y337-P345 HydrophobicContact CD1-CB 3.87Å; Y337-P345 HydrophobicContact CD1-CG 4.28Å; Y337-P345 HydrophobicContact CD2-CB 4.1Å; Y337-P345 HydrophobicContact CE1-CB 4.01Å; Y337-P345 HydrophobicContact CE2-CB 4.22Å; Y337-P345 HydrophobicContact CG-CB 3.95Å; Y337-P345 HydrophobicContact CG-CG 4.37Å; Y337-I363 HydrophobicContact CD2-CG2 4.22Å; Y337-I363 HydrophobicContact CE2-CG2 3.8Å; Y337-K364 PolarHBondContact OH-O 2.8Å; Y337-F365 HydrophobicContact CD2-CD1 4.4Å; Y337-F365 HydrophobicContact CD2-CE1 4.16Å; Y337-F365 HydrophobicContact CE2-CD1 4Å; Y337-F365 HydrophobicContact CE2-CE1 4.1Å; Y337-L377 HydrophobicContact CD2-CD1 3.99Å; Y337-L381 HydrophobicContact CD2-CD1 4.29Å
338E97.7Very high96.9Very high20 Ų2023.5 Ų23.59%0.09312%0.116CC..Hα-helixtrans-63.3-42.3-179.1-166.7176.2-179.600111.7L237 L274 Y312 V334 V335 M336 M340 G342 R343 L344L237-E338 HydrophobicContact CD2-CG 3.83Å; L274-E338 HydrophobicContact CD1-CB 4.3Å; L274-E338 HydrophobicContact CD1-CG 3.88Å; L274-E338 WeakPolarHBondContact CD1-OE2 3.4Å; Y312-E338 PolarHBondContact OH-OE2 3.2Å; V334-E338 WeakPolarHBondContact O-CB 3.41Å; V334-E338 PolarHBondContact O-N 3.44Å; V335-E338 PolarHBondContact O-N 3.03Å; M336-E338 VanDerWaalsContact C-N 3.34Å; E338-M340 PolarHBondContact O-N 2.76Å; E338-G342 VanDerWaalsContact O-CA 3.29Å; E338-G342 WeakPolarHBondContact O-CA 3.28Å; E338-G342 PolarHBondContact O-N 3.1Å; E338-R343 WeakPolarHBondContact CA-O 3.47Å; E338-L344 WeakPolarHBondContact OE2-CD2 3.49Å
339M98.2Very high96.6Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-57.2-46.8174.2-75.5-170.3-89.100112.6L233 F243 T248 Y251 I255 L274 V335 M336 Y337L233-M339 HydrophobicContact CD1-SD 4.16Å; F243-M339 HydrophobicContact CB-CB 4.39Å; F243-M339 HydrophobicContact CD2-CB 3.96Å; F243-M339 HydrophobicContact CD2-CG 3.69Å; F243-M339 HydrophobicContact CD2-SD 3.85Å; F243-M339 HydrophobicContact CE2-CG 4.1Å; F243-M339 HydrophobicContact CE2-SD 4.2Å; F243-M339 PolarHBondContact N-O 2.82Å; T248-M339 HydrophobicContact CG2-CB 3.91Å; T248-M339 HydrophobicContact CG2-CE 4.05Å; T248-M339 HydrophobicContact CG2-SD 4.25Å; Y251-M339 HydrophobicContact CD2-SD 4.12Å; I255-M339 HydrophobicContact CD1-CE 4.45Å; L274-M339 HydrophobicContact CD2-CG 4.1Å; V335-M339 HydrophobicContact CG1-CE 3.32Å; V335-M339 WeakPolarHBondContact O-CG 3.33Å; V335-M339 PolarHBondContact O-N 3.4Å; M336-M339 HydrophobicContact CG-CE 4.04Å; M336-M339 PolarHBondContact O-N 3.12Å; Y337-M339 PolarHBondContact O-N 3.42Å
340M97.6Very high96.2Very high12 Ų1234.7 Ų34.76%0.05917%0.17CC..Hα-helixtrans-87.2-18.5-176-64.9178.6-77.500114.7V242 E245 T248 M336 Y337 E338 L369 A373 L377 F404V242-M340 VanDerWaalsContact CG2-C 3.44Å; V242-M340 WeakPolarHBondContact CG2-O 3.33Å; E245-M340 HydrophobicContact CB-SD 4.32Å; E245-M340 HydrophobicContact CG-CG 4.4Å; E245-M340 HydrophobicContact CG-SD 3.89Å; T248-M340 HydrophobicContact CG2-CE 3.92Å; T248-M340 HydrophobicContact CG2-CG 3.7Å; T248-M340 HydrophobicContact CG2-SD 3.99Å; T248-M340 VanDerWaalsContact OG1-CG 3.28Å; T248-M340 WeakPolarHBondContact OG1-CG 3.29Å; M336-M340 HydrophobicContact CB-CE 4.1Å; M336-M340 VanDerWaalsContact O-CE 3.23Å; M336-M340 WeakPolarHBondContact O-CE 3Å; M336-M340 PolarHBondContact O-N 3.05Å; M336-M340 VanDerWaalsContact O-N 3.1Å; Y337-M340 PolarHBondContact O-N 3.17Å; E338-M340 PolarHBondContact O-N 2.76Å; M340-L369 HydrophobicContact CB-CD2 3.77Å; M340-L369 HydrophobicContact CG-CD2 4.47Å; M340-L369 HydrophobicContact SD-CD2 4.07Å; M340-A373 HydrophobicContact CE-CB 4.48Å; M340-A373 HydrophobicContact SD-CB 3.99Å; M340-L377 HydrophobicContact CE-CD1 3.82Å; M340-L377 HydrophobicContact CE-CD2 4.04Å; M340-L377 HydrophobicContact CE-CG 4.07Å; M340-F404 HydrophobicContact CE-CZ 4.46Å; M340-F404 HydrophobicContact SD-CE2 4.12Å; M340-F404 HydrophobicContact SD-CZ 3.93Å
341C96.8Very high95.7Very high24 Ų2439 Ų3916%0.16219%0.19CC..Hα-helixtrans-109-15.3-177.5-58.30000113.6Y337 R343Y337-C341 HydrophobicContact CD1-CB 3.88Å; Y337-C341 HydrophobicContact CE1-CB 3.55Å; Y337-C341 WeakPolarHBondContact O-CB 3.16Å; Y337-C341 PolarHBondContact O-N 3.38Å; Y337-C341 PolarHBondContact O-SG 3.36Å; C341-R343 HydrophobicContact CB-CG 4.37Å; C341-R343 PolarHBondContact O-N 2.67Å
342G95Very high95.1Very high36 Ų3643.5 Ų43.537%0.37121%0.21SC..SBendtrans69.615.9-177.100000114.9R241 E338R241-G342 WeakPolarHBondContact O-CA 3.38Å; E338-G342 VanDerWaalsContact O-CA 3.29Å; E338-G342 WeakPolarHBondContact O-CA 3.28Å; E338-G342 PolarHBondContact O-N 3.1Å
343R94.8Very high94.7Very high146 Ų14648.6 Ų48.655%0.55123%0.232SC*.SBendtrans-159.215717965.1-178.4-175.3177.71.3110.2Y337 E338 C341Y337-R343 WeakPolarHBondContact CD1-O 3.23Å; Y337-R343 HydrophobicContact CE1-CG 4.37Å; Y337-R343 VanDerWaalsContact CE1-O 3.23Å; Y337-R343 WeakPolarHBondContact CE1-O 3.46Å; E338-R343 WeakPolarHBondContact CA-O 3.47Å; C341-R343 HydrophobicContact CB-CG 4.37Å; C341-R343 PolarHBondContact O-N 2.67Å
344L96.2Very high94.4Very high30 Ų3048.6 Ų48.616%0.15723%0.232CC..  trans-63.6149.9173.3-68.8161000112.1E311 Y312 V334 E338 F346 Y347E311-L344 HydrophobicContact CB-CD1 3.7Å; E311-L344 HydrophobicContact CB-CD2 4.18Å; E311-L344 HydrophobicContact CG-CD1 3.68Å; Y312-L344 HydrophobicContact CE1-CD2 4.46Å; Y312-L344 HydrophobicContact CE2-CD2 4.24Å; V334-L344 HydrophobicContact CG1-CD2 3.82Å; E338-L344 WeakPolarHBondContact OE2-CD2 3.49Å; L344-F346 VanDerWaalsContact C-N 3.3Å; L344-F346 WeakPolarHBondContact CB-O 3.47Å; L344-F346 PolarHBondContact O-N 3Å; L344-Y347 HydrophobicContact CD1-CD2 3.77Å
345P96.6Very high94Very high18 Ų1849.2 Ų49.212%0.11724%0.235CC..SBendtrans-66.1-33.7176.126.2-32.8000112.4V334 Y337 L381V334-P345 HydrophobicContact CB-CG 4.48Å; V334-P345 HydrophobicContact CG1-CG 4.15Å; V334-P345 HydrophobicContact CG2-CG 4.15Å; Y337-P345 HydrophobicContact CD1-CB 3.87Å; Y337-P345 HydrophobicContact CD1-CG 4.28Å; Y337-P345 HydrophobicContact CD2-CB 4.1Å; Y337-P345 HydrophobicContact CE1-CB 4.01Å; Y337-P345 HydrophobicContact CE2-CB 4.22Å; Y337-P345 HydrophobicContact CG-CB 3.95Å; Y337-P345 HydrophobicContact CG-CG 4.37Å; P345-L381 HydrophobicContact CB-CD1 4.44Å
346F96.5Very high93.7Very high5 Ų554.8 Ų54.82%0.02226%0.261CS..SBendtrans-131.5135.4174.3-51.8-75.1000108.7W330 L344 L354 L357 I358 E361 I363W330-F346 AromaticContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CZ2-CD2 4.39Å; W330-F346 HydrophobicContact CZ2-CE2 4.01Å; L344-F346 VanDerWaalsContact C-N 3.3Å; L344-F346 WeakPolarHBondContact CB-O 3.47Å; L344-F346 PolarHBondContact O-N 3Å; F346-L354 HydrophobicContact CB-CD1 4.08Å; F346-L357 HydrophobicContact CB-CB 4.29Å; F346-L357 HydrophobicContact CD1-CB 4.02Å; F346-L357 HydrophobicContact CG-CB 4.48Å; F346-I358 HydrophobicContact CB-CG1 3.96Å; F346-I358 HydrophobicContact CD2-CG1 3.88Å; F346-I358 HydrophobicContact CG-CG1 4.05Å; F346-E361 HydrophobicContact CE1-CB 4.12Å; F346-E361 WeakPolarHBondContact CE1-O 3.26Å; F346-I363 HydrophobicContact CE2-CG1 4.22Å; F346-I363 HydrophobicContact CZ-CG1 3.72Å
347Y93.6Very high93.4Very high139 Ų13956.9 Ų56.955%0.54527%0.272SS..  trans-152.7133.5177.7-177-102.9000110.9E311 L344E311-Y347 HydrophobicContact CG-CD2 4.39Å; L344-Y347 HydrophobicContact CD1-CD2 3.77Å
348N93.1Very high93.1Very high52 Ų5256.7 Ų56.728%0.27827%0.271SS..  trans-152.8145.3167.5-156.6-68.6000108.9D350 K353 L354 L357N348-D350 PolarHBondContact O-N 3.27Å; N348-D350 WeakPolarHBondContact OD1-CB 3.31Å; N348-D350 PolarHBondContact OD1-N 3.49Å; N348-K353 HydrophobicContact CB-CB 4.15Å; N348-L354 HydrophobicContact CB-CB 4.11Å; N348-L357 HydrophobicContact CB-CD1 4.2Å
349Q89.9Confident92.8Very high173 Ų17356.5 Ų56.581%0.80827%0.27SS*.SBendtrans-67.3-26.8173.9-68.8-179.2-19.500112.2
350D88.9Confident92.5Very high64 Ų6462.5 Ų62.534%0.34230%0.3SS..SBendtrans-89.2112.2173.9-177.4-16.3000109.3N348 E352 K353 L354N348-D350 PolarHBondContact O-N 3.27Å; N348-D350 WeakPolarHBondContact OD1-CB 3.31Å; N348-D350 PolarHBondContact OD1-N 3.49Å; D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.41Å; D350-E352 WeakPolarHBondContact OD1-CB 3.39Å; D350-E352 PolarHBondContact OD1-N 3.15Å; D350-K353 HydrophobicContact CB-CB 4.15Å; D350-K353 HydrophobicContact CB-CD 4Å; D350-K353 HydrophobicContact CB-CG 4.08Å; D350-K353 PolarHBondContact O-N 3.15Å; D350-K353 VanDerWaalsContact O-N 3.13Å; D350-K353 WeakPolarHBondContact OD2-CE 3.49Å; D350-K353 IonicContact OD2-NZ 2.62Å; D350-L354 PolarHBondContact O-N 3.08Å
351H87.1Confident92.3Very high93 Ų9364.9 Ų64.943%0.43131%0.311SS..Hα-helixtrans-59.4-33.9-179.8-68.6170.7000112.9K353 L354 F355H351-K353 VanDerWaalsContact C-N 3.3Å; H351-K353 PolarHBondContact O-N 3.18Å; H351-L354 PolarHBondContact O-N 3.37Å; H351-F355 HydrophobicContact CB-CE2 4.11Å; H351-F355 HydrophobicContact CB-CZ 4.11Å; H351-F355 WeakPolarHBondContact O-CB 3.13Å; H351-F355 WeakPolarHBondContact O-CD1 3.42Å; H351-F355 WeakPolarHBondContact O-CD2 3.32Å; H351-F355 WeakPolarHBondContact O-CG 3.3Å; H351-F355 PolarHBondContact O-N 3.39Å
352E85.5Confident92.1Very high98 Ų9870 Ų7046%0.45834%0.337SS..Hα-helixtrans-64.6-40.7178.2-66.4-169.6172.100110.3D350 E356D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.41Å; D350-E352 WeakPolarHBondContact OD1-CB 3.39Å; D350-E352 PolarHBondContact OD1-N 3.15Å; E352-E356 PolarHBondContact O-N 2.8Å; E352-E356 VanDerWaalsContact O-N 3.09Å
353K89.6Confident92.1Very high106 Ų10670 Ų7046%0.46133%0.328SS..Hα-helixtrans-69.2-43.8174.1-65.6-179.5-171.7166.60111.7N348 D350 H351 F355 E356 L357N348-K353 HydrophobicContact CB-CB 4.15Å; D350-K353 HydrophobicContact CB-CB 4.15Å; D350-K353 HydrophobicContact CB-CD 4Å; D350-K353 HydrophobicContact CB-CG 4.08Å; D350-K353 PolarHBondContact O-N 3.15Å; D350-K353 VanDerWaalsContact O-N 3.13Å; D350-K353 WeakPolarHBondContact OD2-CE 3.49Å; D350-K353 IonicContact OD2-NZ 2.62Å; H351-K353 VanDerWaalsContact C-N 3.3Å; H351-K353 PolarHBondContact O-N 3.18Å; K353-F355 VanDerWaalsContact C-N 3.26Å; K353-F355 PolarHBondContact O-N 2.69Å; K353-E356 WeakPolarHBondContact O-CB 3.19Å; K353-E356 PolarHBondContact O-N 3.23Å; K353-E356 VanDerWaalsContact O-N 3.09Å; K353-L357 VanDerWaalsContact O-CG 3.3Å; K353-L357 WeakPolarHBondContact O-CG 3.38Å; K353-L357 PolarHBondContact O-N 3.02Å
354L91.4Very high92.1Very high0 Ų069.1 Ų69.10%033%0.328CS..Hα-helixtrans-53.6-47.6176172.360.8000110.9P310 E311 F346 N348 D350 H351 E356 L357 I358P310-L354 HydrophobicContact CB-CD2 4Å; E311-L354 HydrophobicContact CG-CD2 4Å; F346-L354 HydrophobicContact CB-CD1 4.08Å; N348-L354 HydrophobicContact CB-CB 4.11Å; D350-L354 PolarHBondContact O-N 3.08Å; H351-L354 PolarHBondContact O-N 3.37Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 2.73Å; L354-L357 PolarHBondContact O-N 2.98Å; L354-I358 HydrophobicContact CD1-CD1 4.04Å; L354-I358 HydrophobicContact CD1-CG1 4.33Å; L354-I358 HydrophobicContact CG-CD1 4.01Å; L354-I358 WeakPolarHBondContact O-CG1 3.37Å; L354-I358 PolarHBondContact O-N 2.91Å
355F90.7Very high92Very high15 Ų1570.4 Ų70.47%0.06633%0.332CS..Hα-helixtrans-64.6-37178.4-60.7-23.1000112.3I19 F306 P310 L313 L318 H351 K353 I358 L359I19-F355 HydrophobicContact CD1-CB 3.44Å; I19-F355 VanDerWaalsContact CD1-CB 3.44Å; I19-F355 HydrophobicContact CD1-CG 4.43Å; I19-F355 HydrophobicContact CG1-CB 3.66Å; I19-F355 HydrophobicContact CG1-CD2 3.98Å; I19-F355 HydrophobicContact CG1-CG 4.27Å; F306-F355 HydrophobicContact CZ-CE2 4.42Å; F306-F355 HydrophobicContact CZ-CZ 4.12Å; P310-F355 HydrophobicContact CB-CE1 3.87Å; P310-F355 HydrophobicContact CB-CZ 4.23Å; L313-F355 HydrophobicContact CD1-CE1 4.09Å; L313-F355 HydrophobicContact CD1-CZ 4.42Å; L318-F355 HydrophobicContact CD1-CB 3.94Å; L318-F355 HydrophobicContact CD1-CD1 3.98Å; L318-F355 HydrophobicContact CD1-CG 4.2Å; L318-F355 HydrophobicContact CD2-CB 4.47Å; L318-F355 HydrophobicContact CD2-CD1 3.6Å; L318-F355 HydrophobicContact CD2-CD2 4.42Å; L318-F355 HydrophobicContact CD2-CE1 3.84Å; L318-F355 HydrophobicContact CD2-CG 3.93Å; L318-F355 HydrophobicContact CD2-CZ 4.36Å; L318-F355 HydrophobicContact CG-CD1 4.46Å; H351-F355 HydrophobicContact CB-CE2 4.11Å; H351-F355 HydrophobicContact CB-CZ 4.11Å; H351-F355 WeakPolarHBondContact O-CB 3.13Å; H351-F355 WeakPolarHBondContact O-CD1 3.42Å; H351-F355 WeakPolarHBondContact O-CD2 3.32Å; H351-F355 WeakPolarHBondContact O-CG 3.3Å; H351-F355 PolarHBondContact O-N 3.39Å; K353-F355 VanDerWaalsContact C-N 3.26Å; K353-F355 PolarHBondContact O-N 2.69Å; F355-I358 HydrophobicContact CD1-CD1 4.5Å; F355-L359 WeakPolarHBondContact O-CB 3.38Å; F355-L359 VanDerWaalsContact O-CG 3.3Å; F355-L359 WeakPolarHBondContact O-CG 3.36Å; F355-L359 PolarHBondContact O-N 2.79Å
356E90.8Very high91.9Very high117 Ų11771.3 Ų71.355%0.54734%0.338SS..Hα-helixtrans-61.8-43.6171.5-173.6179.4-173.200112.1E352 K353 L354 L359 M360E352-E356 PolarHBondContact O-N 2.8Å; E352-E356 VanDerWaalsContact O-N 3.09Å; K353-E356 WeakPolarHBondContact O-CB 3.19Å; K353-E356 PolarHBondContact O-N 3.23Å; K353-E356 VanDerWaalsContact O-N 3.09Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 2.73Å; E356-L359 PolarHBondContact O-N 2.86Å; E356-M360 HydrophobicContact CG-CG 4.4Å; E356-M360 WeakPolarHBondContact O-CB 3.41Å; E356-M360 PolarHBondContact O-N 3.3Å
357L93.1Very high91.6Very high43 Ų4382.5 Ų82.523%0.22538%0.381CS..Hα-helixtrans-61.7-47.7177.4-59.2171.3000110.9F346 N348 K353 L354 L359 M360 E361F346-L357 HydrophobicContact CB-CB 4.29Å; F346-L357 HydrophobicContact CD1-CB 4.02Å; F346-L357 HydrophobicContact CG-CB 4.48Å; N348-L357 HydrophobicContact CB-CD1 4.2Å; K353-L357 VanDerWaalsContact O-CG 3.3Å; K353-L357 WeakPolarHBondContact O-CG 3.38Å; K353-L357 PolarHBondContact O-N 3.02Å; L354-L357 PolarHBondContact O-N 2.98Å; L357-L359 VanDerWaalsContact C-N 3.28Å; L357-L359 PolarHBondContact O-N 3.07Å; L357-M360 PolarHBondContact O-N 2.85Å; L357-E361 HydrophobicContact CB-CB 4.43Å; L357-E361 HydrophobicContact CD2-CB 4.4Å; L357-E361 WeakPolarHBondContact CD2-OE2 3.49Å; L357-E361 WeakPolarHBondContact O-CB 3.38Å; L357-E361 PolarHBondContact O-N 2.83Å
358I93.1Very high91.6Very high0 Ų082 Ų820%039%0.392CS..Hα-helixtrans-55.9-44.4176.7-69.1167.5000110.5P315 L318 W330 F346 L354 F355 K383P315-I358 HydrophobicContact CB-CG2 4.47Å; P315-I358 HydrophobicContact CG-CG2 3.82Å; L318-I358 HydrophobicContact CD1-CB 3.86Å; L318-I358 HydrophobicContact CD1-CD1 4.16Å; L318-I358 HydrophobicContact CD1-CG2 3.6Å; W330-I358 HydrophobicContact CH2-CG2 4.32Å; W330-I358 HydrophobicContact CZ2-CG2 3.89Å; F346-I358 HydrophobicContact CB-CG1 3.96Å; F346-I358 HydrophobicContact CD2-CG1 3.88Å; F346-I358 HydrophobicContact CG-CG1 4.05Å; L354-I358 HydrophobicContact CD1-CD1 4.04Å; L354-I358 HydrophobicContact CD1-CG1 4.33Å; L354-I358 HydrophobicContact CG-CD1 4.01Å; L354-I358 WeakPolarHBondContact O-CG1 3.37Å; L354-I358 PolarHBondContact O-N 2.91Å; F355-I358 HydrophobicContact CD1-CD1 4.5Å; I358-K383 PolarHBondContact O-NZ 3.33Å
359L90.9Very high91.7Very high15 Ų1579.9 Ų79.98%0.07938%0.381CS..Hα-helixtrans-74.7-37.4-178.9-70-177.4000114.1I19 P315 L318 E319 F355 E356 L357 K383I19-L359 HydrophobicContact CD1-CD1 3.28Å; I19-L359 HydrophobicContact CD1-CG 4.25Å; P315-L359 HydrophobicContact CB-CD2 3.85Å; L318-L359 HydrophobicContact CB-CD2 4.17Å; L318-L359 HydrophobicContact CB-CG 4.44Å; L318-L359 HydrophobicContact CD1-CD2 4.38Å; L318-L359 HydrophobicContact CD1-CG 4.24Å; E319-L359 HydrophobicContact CG-CD2 3.66Å; F355-L359 WeakPolarHBondContact O-CB 3.38Å; F355-L359 VanDerWaalsContact O-CG 3.3Å; F355-L359 WeakPolarHBondContact O-CG 3.36Å; F355-L359 PolarHBondContact O-N 2.79Å; E356-L359 PolarHBondContact O-N 2.86Å; L357-L359 VanDerWaalsContact C-N 3.28Å; L357-L359 PolarHBondContact O-N 3.07Å; L359-K383 WeakPolarHBondContact O-CD 3.02Å; L359-K383 PolarHBondContact O-NZ 3.4Å
360M90.8Very high92.1Very high126 Ų12673.5 Ų73.562%0.62136%0.355SS*.Hα-helixtrans-117.1-30-165.2-58.4-59.9171.900115.2E356 L357E356-M360 HydrophobicContact CG-CG 4.4Å; E356-M360 WeakPolarHBondContact O-CB 3.41Å; E356-M360 PolarHBondContact O-N 3.3Å; L357-M360 PolarHBondContact O-N 2.85Å
361E93.3Very high92.5Very high63 Ų6374.8 Ų74.829%0.29437%0.369SS..PPolyproline II helixtrans-84.3141.6-175.2-168.4173.4-163.200112.4F346 L357 K364 K383F346-E361 HydrophobicContact CE1-CB 4.12Å; F346-E361 WeakPolarHBondContact CE1-O 3.26Å; L357-E361 HydrophobicContact CB-CB 4.43Å; L357-E361 HydrophobicContact CD2-CB 4.4Å; L357-E361 WeakPolarHBondContact CD2-OE2 3.49Å; L357-E361 WeakPolarHBondContact O-CB 3.38Å; L357-E361 PolarHBondContact O-N 2.83Å; E361-K364 VanDerWaalsContact OE1-CE 3.29Å; E361-K364 WeakPolarHBondContact OE1-CE 3.38Å; E361-K364 IonicContact OE1-NZ 2.76Å; E361-K364 PolarHBondContact OE1-NZ 2.82Å; E361-K383 VanDerWaalsContact N-NZ 3.17Å; E361-K383 VanDerWaalsContact O-CE 3.3Å; E361-K383 WeakPolarHBondContact O-CE 3.28Å; E361-K383 PolarHBondContact O-NZ 3.05Å
362D93.4Very high93Very high131 Ų13173.6 Ų73.670%0.70137%0.366SS*.PPolyproline II helixtrans-78.2145.5172.6-68.5-36.7000111.7
363I94.2Very high93.6Very high35 Ų3568.9 Ų68.918%0.17934%0.344CS..PPolyproline II helixtrans-69.3135.4-178.7-56.4137.7000110.1Y337 F346 F365 L381Y337-I363 HydrophobicContact CD2-CG2 4.22Å; Y337-I363 HydrophobicContact CE2-CG2 3.8Å; F346-I363 HydrophobicContact CE2-CG1 4.22Å; F346-I363 HydrophobicContact CZ-CG1 3.72Å; I363-F365 HydrophobicContact CB-CE2 4.34Å; I363-F365 HydrophobicContact CB-CZ 4.06Å; I363-F365 HydrophobicContact CG2-CD1 4.22Å; I363-F365 HydrophobicContact CG2-CE1 3.59Å; I363-F365 HydrophobicContact CG2-CE2 4.1Å; I363-F365 HydrophobicContact CG2-CZ 3.53Å; I363-L381 HydrophobicContact CD1-CB 3.26Å; I363-L381 HydrophobicContact CD1-CD1 4.03Å; I363-L381 HydrophobicContact CD1-CG 4.29Å; I363-L381 WeakPolarHBondContact CD1-O 3.18Å; I363-L381 HydrophobicContact CG1-CB 4.23Å; I363-L381 HydrophobicContact CG1-CD1 4.3Å; I363-L381 HydrophobicContact CG2-CD1 4.32Å
364K94.9Very high94Very high128 Ų12866.9 Ų66.956%0.55734%0.335SS*.  trans-104.5122.8177.4-64.7173.5-169.7158.30110.3Y337 E361Y337-K364 PolarHBondContact OH-O 2.8Å; E361-K364 VanDerWaalsContact OE1-CE 3.29Å; E361-K364 WeakPolarHBondContact OE1-CE 3.38Å; E361-K364 IonicContact OE1-NZ 2.76Å; E361-K364 PolarHBondContact OE1-NZ 2.82Å
365F95.5Very high94.3Very high57 Ų5769.7 Ų69.725%0.2536%0.355CS..  trans-100.8135177.4-59.4-69.1000111.6Y337 I363 L369 K374 L377 S378Y337-F365 HydrophobicContact CD2-CD1 4.4Å; Y337-F365 HydrophobicContact CD2-CE1 4.16Å; Y337-F365 HydrophobicContact CE2-CD1 4Å; Y337-F365 HydrophobicContact CE2-CE1 4.1Å; I363-F365 HydrophobicContact CB-CE2 4.34Å; I363-F365 HydrophobicContact CB-CZ 4.06Å; I363-F365 HydrophobicContact CG2-CD1 4.22Å; I363-F365 HydrophobicContact CG2-CE1 3.59Å; I363-F365 HydrophobicContact CG2-CE2 4.1Å; I363-F365 HydrophobicContact CG2-CZ 3.53Å; F365-L369 HydrophobicContact CB-CD1 4.2Å; F365-L369 HydrophobicContact CD1-CD1 3.95Å; F365-K374 HydrophobicContact CB-CD 4.46Å; F365-K374 HydrophobicContact CB-CG 4.14Å; F365-K374 HydrophobicContact CG-CG 4.17Å; F365-L377 HydrophobicContact CD1-CD1 4.29Å; F365-L377 HydrophobicContact CE1-CB 3.6Å; F365-L377 HydrophobicContact CE1-CD1 3.95Å; F365-L377 HydrophobicContact CE1-CG 4.46Å; F365-L377 HydrophobicContact CZ-CB 4.06Å; F365-S378 VanDerWaalsContact CE2-OG 3.31Å; F365-S378 WeakPolarHBondContact CE2-OG 3.34Å
366P92.7Very high94.7Very high37 Ų3769 Ų6924%0.2435%0.352CS..  trans-62.7151.1167.626.7-35000111T368 L369 K374P366-T368 PolarHBondContact O-N 3.09Å; P366-L369 HydrophobicContact CG-CD1 3.77Å; P366-L369 HydrophobicContact CG-CG 3.93Å; P366-L369 PolarHBondContact O-N 3.48Å; P366-K374 VanDerWaalsContact O-CE 3.31Å; P366-K374 WeakPolarHBondContact O-CE 3.45Å
367R92Very high95.1Very high241 Ų24163.4 Ų63.491%0.90933%0.326SS*.THydrogen-bonded Turntrans-63.4-26.6-179.6-67.2-177.3-177.3171.80.9112.6L369 K374R367-L369 VanDerWaalsContact C-N 3.34Å; R367-L369 PolarHBondContact O-N 2.95Å; R367-K374 PolarHBondContact O-NZ 2.84Å
368T92.3Very high95.3Very high128 Ų12864 Ų6479%0.78533%0.333SS*.THydrogen-bonded Turntrans-69.9-22.6-176.449.50000114.7P366P366-T368 PolarHBondContact O-N 3.09Å
369L96Very high95.6Very high8 Ų864.6 Ų64.64%0.04234%0.34CS..SBendtrans-66.6138.9177.4-80.4168.5000111.3E245 M340 F365 P366 R367 A373 K374 L377E245-L369 WeakPolarHBondContact OE1-CA 3.47Å; M340-L369 HydrophobicContact CB-CD2 3.77Å; M340-L369 HydrophobicContact CG-CD2 4.47Å; M340-L369 HydrophobicContact SD-CD2 4.07Å; F365-L369 HydrophobicContact CB-CD1 4.2Å; F365-L369 HydrophobicContact CD1-CD1 3.95Å; P366-L369 HydrophobicContact CG-CD1 3.77Å; P366-L369 HydrophobicContact CG-CG 3.93Å; P366-L369 PolarHBondContact O-N 3.48Å; R367-L369 VanDerWaalsContact C-N 3.34Å; R367-L369 PolarHBondContact O-N 2.95Å; L369-A373 HydrophobicContact CD2-CB 3.88Å; L369-K374 HydrophobicContact CB-CD 4.37Å; L369-K374 HydrophobicContact CB-CG 3.85Å; L369-K374 HydrophobicContact CD1-CG 4.43Å; L369-K374 WeakPolarHBondContact O-CE 3.23Å; L369-K374 PolarHBondContact O-NZ 3.2Å; L369-L377 HydrophobicContact CD1-CD1 4.25Å
370S97.6Very high95.9Very high38 Ų3863.9 Ų63.927%0.26634%0.336SS..  trans-61.8162.9173.474.50000112.3E245 D372 A373 K374E245-S370 PolarHBondContact OE1-N 2.75Å; E245-S370 PolarHBondContact OE1-OG 3.45Å; E245-S370 WeakPolarHBondContact OE2-CB 3.38Å; E245-S370 PolarHBondContact OE2-OG 3.46Å; S370-D372 VanDerWaalsContact C-N 3.28Å; S370-D372 PolarHBondContact O-N 2.98Å; S370-A373 PolarHBondContact O-N 2.81Å; S370-A373 WeakPolarHBondContact OG-CB 3.33Å; S370-A373 PolarHBondContact OG-N 3.29Å; S370-K374 WeakPolarHBondContact O-CB 3.47Å; S370-K374 WeakPolarHBondContact O-CG 3.45Å; S370-K374 PolarHBondContact O-N 3.43Å
371S97.4Very high96.3Very high92 Ų9258 Ų5864%0.64331%0.307SS*.Hα-helixtrans-61.5-38.4174.449.40000111.9S375S371-S375 VanDerWaalsContact O-CB 3.29Å; S371-S375 WeakPolarHBondContact O-CB 3.48Å; S371-S375 PolarHBondContact O-N 2.84Å
372D98Very high96.4Very high67 Ų6757.8 Ų57.836%0.35831%0.307SS..Hα-helixtrans-70-41.8-179.8-70.6-31.3000111.8S370 S375 L376 H402 S403 F404S370-D372 VanDerWaalsContact C-N 3.28Å; S370-D372 PolarHBondContact O-N 2.98Å; D372-S375 PolarHBondContact O-N 2.98Å; D372-L376 WeakPolarHBondContact O-CB 3.49Å; D372-L376 PolarHBondContact O-N 2.97Å; D372-H402 PolarHBondContact O-CE1 3.42Å; D372-S403 VanDerWaalsContact CG-OG 3.3Å; D372-S403 WeakPolarHBondContact OD1-CB 3.46Å; D372-S403 PolarHBondContact OD1-OG 2.84Å; D372-F404 HydrophobicContact CB-CB 4.26Å; D372-F404 HydrophobicContact CB-CD2 4.26Å
373A98.3Very high96.4Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-64.1-44.8175.800000111.4M340 L369 S370 L376 L377 F404M340-A373 HydrophobicContact CE-CB 4.48Å; M340-A373 HydrophobicContact SD-CB 3.99Å; L369-A373 HydrophobicContact CD2-CB 3.88Å; S370-A373 PolarHBondContact O-N 2.81Å; S370-A373 WeakPolarHBondContact OG-CB 3.33Å; S370-A373 PolarHBondContact OG-N 3.29Å; A373-L376 PolarHBondContact O-N 3.45Å; A373-L377 VanDerWaalsContact O-CG 3.31Å; A373-L377 WeakPolarHBondContact O-CG 3.5Å; A373-L377 PolarHBondContact O-N 2.7Å; A373-F404 HydrophobicContact CB-CD2 3.96Å; A373-F404 HydrophobicContact CB-CE2 3.71Å
374K98.1Very high96.3Very high63 Ų6355.3 Ų55.327%0.27429%0.292SS..Hα-helixtrans-59.5-47.1174.6-74.1171.9-177.61460111.2F365 P366 R367 L369 S370 L376 L377 S378F365-K374 HydrophobicContact CB-CD 4.46Å; F365-K374 HydrophobicContact CB-CG 4.14Å; F365-K374 HydrophobicContact CG-CG 4.17Å; P366-K374 VanDerWaalsContact O-CE 3.31Å; P366-K374 WeakPolarHBondContact O-CE 3.45Å; R367-K374 PolarHBondContact O-NZ 2.84Å; L369-K374 HydrophobicContact CB-CD 4.37Å; L369-K374 HydrophobicContact CB-CG 3.85Å; L369-K374 HydrophobicContact CD1-CG 4.43Å; L369-K374 WeakPolarHBondContact O-CE 3.23Å; L369-K374 PolarHBondContact O-NZ 3.2Å; S370-K374 WeakPolarHBondContact O-CB 3.47Å; S370-K374 WeakPolarHBondContact O-CG 3.45Å; S370-K374 PolarHBondContact O-N 3.43Å; K374-L376 PolarHBondContact O-N 2.92Å; K374-L377 PolarHBondContact O-N 3.15Å; K374-S378 WeakPolarHBondContact O-CB 3.47Å; K374-S378 PolarHBondContact O-N 3.4Å; K374-S378 PolarHBondContact O-OG 2.63Å; K374-S378 VanDerWaalsContact O-OG 3.04Å
375S98.1Very high96.2Very high59 Ų5950.7 Ų50.741%0.41328%0.275SS..Hα-helixtrans-58.1-46.8178.1-178.80000111.9S371 D372 S378 G379 H402S371-S375 VanDerWaalsContact O-CB 3.29Å; S371-S375 WeakPolarHBondContact O-CB 3.48Å; S371-S375 PolarHBondContact O-N 2.84Å; D372-S375 PolarHBondContact O-N 2.98Å; S375-S378 PolarHBondContact O-N 3.28Å; S375-G379 PolarHBondContact O-N 3.49Å; S375-H402 PolarHBondContact OG-NE2 3.02Å
376L98.6Very high95.9Very high0 Ų053 Ų530%029%0.29CS..Hα-helixtrans-61.2-52.3179.5179.167.2000111.1M336 D372 A373 K374 S378 G379 L380 L389 I399 H402 F404 F405M336-L376 HydrophobicContact CE-CD2 3.51Å; M336-L376 HydrophobicContact SD-CD2 4.06Å; D372-L376 WeakPolarHBondContact O-CB 3.49Å; D372-L376 PolarHBondContact O-N 2.97Å; A373-L376 PolarHBondContact O-N 3.45Å; K374-L376 PolarHBondContact O-N 2.92Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 2.63Å; L376-G379 PolarHBondContact O-N 2.7Å; L376-G379 VanDerWaalsContact O-N 3.09Å; L376-L380 HydrophobicContact CD1-CD1 3.93Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CD2-CD1 4.3Å; L376-L380 HydrophobicContact CG-CD1 3.81Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 2.75Å; L376-L389 HydrophobicContact CD1-CD2 3.66Å; L376-I399 HydrophobicContact CD1-CG2 4.4Å; L376-H402 VanDerWaalsContact CA-CE1 3.47Å; L376-H402 WeakPolarHBondContact CA-CE1 3.37Å; L376-H402 HydrophobicContact CD1-CB 4.17Å; L376-H402 PolarHBondContact N-CE1 3.07Å; L376-H402 PolarHBondContact N-NE2 3.48Å; L376-F404 HydrophobicContact CB-CB 4Å; L376-F404 HydrophobicContact CB-CG 4.33Å; L376-F404 HydrophobicContact CD2-CB 3.93Å; L376-F404 HydrophobicContact CD2-CD1 3.36Å; L376-F404 HydrophobicContact CD2-CE1 3.96Å; L376-F404 HydrophobicContact CD2-CG 3.69Å; L376-F404 HydrophobicContact CG-CB 4.44Å; L376-F405 HydrophobicContact CD1-CE2 4.07Å; L376-F405 HydrophobicContact CD2-CE2 3.79Å; L376-F405 HydrophobicContact CD2-CZ 4.14Å
377L98.5Very high96Very high0 Ų058.6 Ų58.60%031%0.311CS..Hα-helixtrans-64.5-38.4-178.7-65.8174.2000111.5G333 M336 Y337 M340 F365 L369 A373 K374 G379 L380 L381G333-L377 WeakPolarHBondContact O-CD2 3.47Å; M336-L377 HydrophobicContact CB-CD2 4.04Å; Y337-L377 HydrophobicContact CD2-CD1 3.99Å; M340-L377 HydrophobicContact CE-CD1 3.82Å; M340-L377 HydrophobicContact CE-CD2 4.04Å; M340-L377 HydrophobicContact CE-CG 4.07Å; F365-L377 HydrophobicContact CD1-CD1 4.29Å; F365-L377 HydrophobicContact CE1-CB 3.6Å; F365-L377 HydrophobicContact CE1-CD1 3.95Å; F365-L377 HydrophobicContact CE1-CG 4.46Å; F365-L377 HydrophobicContact CZ-CB 4.06Å; L369-L377 HydrophobicContact CD1-CD1 4.25Å; A373-L377 VanDerWaalsContact O-CG 3.31Å; A373-L377 WeakPolarHBondContact O-CG 3.5Å; A373-L377 PolarHBondContact O-N 2.7Å; K374-L377 PolarHBondContact O-N 3.15Å; L377-G379 PolarHBondContact O-N 3.42Å; L377-L380 PolarHBondContact O-N 3.22Å; L377-L381 VanDerWaalsContact O-CB 3.28Å; L377-L381 WeakPolarHBondContact O-CB 3.31Å; L377-L381 PolarHBondContact O-N 3.3Å
378S97.8Very high96.2Very high56 Ų5647.2 Ų47.239%0.39227%0.268SS..Hα-helixtrans-61.7-29.3173.5-74.10000113F365 K374 S375 L376 I382F365-S378 VanDerWaalsContact CE2-OG 3.31Å; F365-S378 WeakPolarHBondContact CE2-OG 3.34Å; K374-S378 WeakPolarHBondContact O-CB 3.47Å; K374-S378 PolarHBondContact O-N 3.4Å; K374-S378 PolarHBondContact O-OG 2.63Å; K374-S378 VanDerWaalsContact O-OG 3.04Å; S375-S378 PolarHBondContact O-N 3.28Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 2.63Å; S378-I382 WeakPolarHBondContact O-CG1 3.13Å
379G98Very high96.5Very high13 Ų1342.6 Ų42.613%0.13424%0.238CC..Hα-helixtrans-81.9-43.2174.500000113.7S375 L376 L377 I382 L389S375-G379 PolarHBondContact O-N 3.49Å; L376-G379 PolarHBondContact O-N 2.7Å; L376-G379 VanDerWaalsContact O-N 3.09Å; L377-G379 PolarHBondContact O-N 3.42Å; G379-I382 WeakPolarHBondContact O-CG1 3.28Å; G379-L389 PolarHBondContact O-N 3.47Å
380L98.4Very high96.5Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-70.3-33.4-179.3-70.8173.5000112.8W329 L332 M336 L376 L377 I382 R388 L389 I399W329-L380 HydrophobicContact CB-CD2 4.18Å; L332-L380 HydrophobicContact CD2-CD1 4.18Å; L332-L380 HydrophobicContact CD2-CD2 4.31Å; L332-L380 HydrophobicContact CG-CD1 4.2Å; M336-L380 HydrophobicContact SD-CD1 4.34Å; L376-L380 HydrophobicContact CD1-CD1 3.93Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CD2-CD1 4.3Å; L376-L380 HydrophobicContact CG-CD1 3.81Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 2.75Å; L377-L380 PolarHBondContact O-N 3.22Å; L380-I382 VanDerWaalsContact C-N 3.35Å; L380-R388 WeakPolarHBondContact O-CD 3.14Å; L380-R388 WeakPolarHBondContact O-CG 3.44Å; L380-L389 HydrophobicContact CD2-CB 4.32Å; L380-L389 HydrophobicContact CD2-CD2 4.29Å; L380-L389 HydrophobicContact CG-CD2 4.33Å; L380-I399 HydrophobicContact CD2-CD1 3.77Å; L380-I399 HydrophobicContact CD2-CG1 4.02Å
381L98Very high96.2Very high3 Ų341.3 Ų41.32%0.01623%0.233CC..THydrogen-bonded Turntrans-98.526.9-177.3-61.3172.2000112.6W330 V334 Y337 P345 I363 L377W330-L381 HydrophobicContact CD2-CD2 4.06Å; W330-L381 HydrophobicContact CE3-CD2 4.07Å; W330-L381 HydrophobicContact CH2-CD2 4.41Å; W330-L381 HydrophobicContact CZ2-CD2 4.38Å; W330-L381 HydrophobicContact CZ3-CB 4.21Å; W330-L381 HydrophobicContact CZ3-CD2 4.26Å; W330-L381 WeakPolarHBondContact CZ3-O 3.39Å; V334-L381 HydrophobicContact CG2-CD2 3.86Å; Y337-L381 HydrophobicContact CD2-CD1 4.29Å; P345-L381 HydrophobicContact CB-CD1 4.44Å; I363-L381 HydrophobicContact CD1-CB 3.26Å; I363-L381 HydrophobicContact CD1-CD1 4.03Å; I363-L381 HydrophobicContact CD1-CG 4.29Å; I363-L381 WeakPolarHBondContact CD1-O 3.18Å; I363-L381 HydrophobicContact CG1-CB 4.23Å; I363-L381 HydrophobicContact CG1-CD1 4.3Å; I363-L381 HydrophobicContact CG2-CD1 4.32Å; L377-L381 VanDerWaalsContact O-CB 3.28Å; L377-L381 WeakPolarHBondContact O-CB 3.31Å; L377-L381 PolarHBondContact O-N 3.3Å
382I96.8Very high95.9Very high57 Ų5737.7 Ų37.729%0.29221%0.209SC..  trans-70.2133.8168.4-66.7177.5000109.2S378 G379 L380 D384 K387 R388S378-I382 WeakPolarHBondContact O-CG1 3.13Å; G379-I382 WeakPolarHBondContact O-CG1 3.28Å; L380-I382 VanDerWaalsContact C-N 3.35Å; I382-D384 HydrophobicContact CG2-CB 4.35Å; I382-D384 WeakPolarHBondContact CG2-O 3.34Å; I382-K387 VanDerWaalsContact CD1-O 3.23Å; I382-K387 WeakPolarHBondContact CD1-O 3.37Å; I382-K387 HydrophobicContact CG2-CB 3.91Å; I382-R388 HydrophobicContact CB-CB 4.27Å; I382-R388 PolarHBondContact O-NE 3.13Å; I382-R388 PolarHBondContact O-NH2 2.93Å; I382-R388 VanDerWaalsContact O-NH2 3.1Å
383K93.7Very high95.5Very high53 Ų5340 Ų4023%0.2323%0.228CC..SBendtrans-70.8-37.8-176-52.1-165.7-173.1-144.90113.4P315 I358 L359 E361 P385 R388P315-K383 HydrophobicContact CB-CB 4.34Å; P315-K383 HydrophobicContact CG-CB 4.1Å; P315-K383 HydrophobicContact CG-CG 4.3Å; I358-K383 PolarHBondContact O-NZ 3.33Å; L359-K383 WeakPolarHBondContact O-CD 3.02Å; L359-K383 PolarHBondContact O-NZ 3.4Å; E361-K383 VanDerWaalsContact N-NZ 3.17Å; E361-K383 VanDerWaalsContact O-CE 3.3Å; E361-K383 WeakPolarHBondContact O-CE 3.28Å; E361-K383 PolarHBondContact O-NZ 3.05Å; K383-P385 WeakPolarHBondContact O-CD 3.5Å; K383-R388 PolarHBondContact O-NH2 2.91Å
384D91.4Very high95.3Very high61 Ų6143.6 Ų43.633%0.32625%0.247SC..SBendtrans-76.3111.8174-178.8-7.4000109.7I382 N386 K387 R388I382-D384 HydrophobicContact CG2-CB 4.35Å; I382-D384 WeakPolarHBondContact CG2-O 3.34Å; D384-N386 PolarHBondContact O-N 3.4Å; D384-N386 PolarHBondContact OD1-N 3.24Å; D384-N386 VanDerWaalsContact OD1-N 3.08Å; D384-K387 HydrophobicContact CB-CB 4.27Å; D384-K387 HydrophobicContact CB-CD 4.31Å; D384-K387 HydrophobicContact CB-CG 4.37Å; D384-K387 PolarHBondContact O-N 2.7Å; D384-K387 WeakPolarHBondContact OD2-CD 3.3Å; D384-K387 WeakPolarHBondContact OD2-CE 3.48Å; D384-K387 IonicContact OD2-NZ 2.69Å; D384-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact O-N 3.12Å
385P92.2Very high95.2Very high32 Ų3241.1 Ų41.121%0.20824%0.237CC..THydrogen-bonded Turntrans-60.8-27.7-176.224.8-34.4000113E316 A326 K383 K387 R388 G391E316-P385 HydrophobicContact CB-CG 4.27Å; E316-P385 HydrophobicContact CG-CG 4.33Å; A326-P385 HydrophobicContact CB-CB 3.81Å; K383-P385 WeakPolarHBondContact O-CD 3.5Å; P385-K387 VanDerWaalsContact C-N 3.28Å; P385-K387 PolarHBondContact O-N 3.17Å; P385-R388 WeakPolarHBondContact O-CB 3.38Å; P385-R388 PolarHBondContact O-N 3.37Å; P385-G391 WeakPolarHBondContact O-CA 3.38Å
386N90.6Very high95.1Very high106 Ų10638.3 Ų38.357%0.56722%0.218SC*.THydrogen-bonded Turntrans-75.9-17.5179.9-60.9-54.4000113.2D384D384-N386 PolarHBondContact O-N 3.4Å; D384-N386 PolarHBondContact OD1-N 3.24Å; D384-N386 VanDerWaalsContact OD1-N 3.08Å
387K94.1Very high95.1Very high153 Ų15342.4 Ų42.467%0.66524%0.236SC*.THydrogen-bonded Turntrans-103.9-7.7176.3-64.4180-174.9173.80112.4I382 D384 P385I382-K387 VanDerWaalsContact CD1-O 3.23Å; I382-K387 WeakPolarHBondContact CD1-O 3.37Å; I382-K387 HydrophobicContact CG2-CB 3.91Å; D384-K387 HydrophobicContact CB-CB 4.27Å; D384-K387 HydrophobicContact CB-CD 4.31Å; D384-K387 HydrophobicContact CB-CG 4.37Å; D384-K387 PolarHBondContact O-N 2.7Å; D384-K387 WeakPolarHBondContact OD2-CD 3.3Å; D384-K387 WeakPolarHBondContact OD2-CE 3.48Å; D384-K387 IonicContact OD2-NZ 2.69Å; P385-K387 VanDerWaalsContact C-N 3.28Å; P385-K387 PolarHBondContact O-N 3.17Å
388R96.8Very high95Very high3 Ų344.8 Ų44.81%0.01125%0.247CC..SBendtrans-68.6141.9179.5-170.1-179.7-62.4142.66.5110.2E316 A326 L380 I382 K383 D384 P385 G390 G391E316-R388 IonicContact OE1-CZ 2.74Å; E316-R388 IonicContact OE1-NH1 2.79Å; E316-R388 PolarHBondContact OE1-NH1 2.67Å; E316-R388 IonicContact OE1-NH2 3.21Å; E316-R388 PolarHBondContact OE1-NH2 3.35Å; E316-R388 IonicContact OE2-CZ 3.42Å; E316-R388 IonicContact OE2-NH1 3.11Å; E316-R388 IonicContact OE2-NH2 3.45Å; E316-R388 PolarHBondContact OE2-NH2 3.33Å; A326-R388 VanDerWaalsContact C-NH1 3.29Å; A326-R388 PolarHBondContact O-NH1 2.92Å; L380-R388 WeakPolarHBondContact O-CD 3.14Å; L380-R388 WeakPolarHBondContact O-CG 3.44Å; I382-R388 HydrophobicContact CB-CB 4.27Å; I382-R388 PolarHBondContact O-NE 3.13Å; I382-R388 PolarHBondContact O-NH2 2.93Å; I382-R388 VanDerWaalsContact O-NH2 3.1Å; K383-R388 PolarHBondContact O-NH2 2.91Å; D384-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact O-N 3.12Å; P385-R388 WeakPolarHBondContact O-CB 3.38Å; P385-R388 PolarHBondContact O-N 3.37Å; R388-G390 PolarHBondContact O-N 3.47Å; R388-G391 WeakPolarHBondContact O-CA 3.41Å; R388-G391 PolarHBondContact O-N 2.89Å
389L97.5Very high95Very high31 Ų3142.1 Ų42.116%0.16223%0.228CC..THydrogen-bonded Turntrans-59.6122.7173.8-173.670.9000109.8L376 G379 L380 G391 E398 I399 H402L376-L389 HydrophobicContact CD1-CD2 3.66Å; G379-L389 PolarHBondContact O-N 3.47Å; L380-L389 HydrophobicContact CD2-CB 4.32Å; L380-L389 HydrophobicContact CD2-CD2 4.29Å; L380-L389 HydrophobicContact CG-CD2 4.33Å; L389-G391 VanDerWaalsContact C-N 3.27Å; L389-E398 HydrophobicContact CD1-CB 3.93Å; L389-I399 HydrophobicContact CD2-CG1 4Å; L389-I399 HydrophobicContact CG-CG1 3.78Å; L389-H402 HydrophobicContact CD2-CB 4.47Å
390G96.1Very high95.1Very high0 Ų043 Ų430%023%0.229CC..THydrogen-bonded Turntrans81.2-1.2-172.400000114.8W329 R388 G392 D395 E398W329-G390 VanDerWaalsContact CD1-C 3.4Å; W329-G390 PolarHBondContact NE1-O 3.35Å; R388-G390 PolarHBondContact O-N 3.47Å; G390-G392 VanDerWaalsContact C-N 3.26Å; G390-D395 VanDerWaalsContact CA-O 3.26Å; G390-D395 WeakPolarHBondContact CA-O 3.33Å; G390-D395 WeakPolarHBondContact O-CA 3.34Å; G390-E398 PolarHBondContact N-OE2 2.97Å
391G92.5Very high95Very high19 Ų1950.4 Ų50.420%0.19626%0.257CS..  trans-75.1-16.417100000113.5P385 R388 L389P385-G391 WeakPolarHBondContact O-CA 3.38Å; R388-G391 WeakPolarHBondContact O-CA 3.41Å; R388-G391 PolarHBondContact O-N 2.89Å; L389-G391 VanDerWaalsContact C-N 3.27Å
392G90.6Very high95Very high15 Ų1551.6 Ų51.616%0.15526%0.262CS..SBendtrans-77.5-178.3178.900000115R325 G390 D394 D395R325-G392 PolarHBondContact NH2-O 2.91Å; G390-G392 VanDerWaalsContact C-N 3.26Å; G392-D394 PolarHBondContact O-N 3.28Å; G392-D395 PolarHBondContact O-N 3.47Å; G392-D395 VanDerWaalsContact O-N 3.16Å
393P90.4Very high95.1Very high115 Ų11551.3 Ų51.375%0.74727%0.266SS*.THydrogen-bonded Turntrans-63.5-27.4179.326.3-34.6000113.1R325 D395R325-P393 PolarHBondContact NH2-O 2.89Å; P393-D395 VanDerWaalsContact C-N 3.28Å; P393-D395 PolarHBondContact O-N 2.87Å
394D93.2Very high95.3Very high76 Ų7649 Ų4941%0.40626%0.255SS..THydrogen-bonded Turntrans-78-11.7179.1-88.318.8000113.2G392 A396 K397 E398 R401G392-D394 PolarHBondContact O-N 3.28Å; D394-A396 PolarHBondContact O-N 2.96Å; D394-K397 HydrophobicContact CB-CB 4.4Å; D394-K397 VanDerWaalsContact O-CB 3.24Å; D394-K397 WeakPolarHBondContact O-CB 3.3Å; D394-K397 WeakPolarHBondContact O-CG 3.28Å; D394-K397 PolarHBondContact O-N 2.93Å; D394-E398 HydrophobicContact CB-CG 3.56Å; D394-R401 IonicContact OD2-CZ 3.78Å; D394-R401 IonicContact OD2-NH1 3.81Å; D394-R401 PolarHBondContact OD2-NH1 3.36Å; D394-R401 VanDerWaalsContact OD2-NH1 3.09Å; D394-R401 IonicContact OD2-NH2 3.93Å; D394-R401 PolarHBondContact OD2-NH2 3.43Å
395D95Very high95.7Very high12 Ų1246.2 Ų46.26%0.06424%0.24CC..THydrogen-bonded Turntrans47.8-126.2173.3-165.350.3000113H263 R325 W329 G390 G392 P393 K397 E398H263-D395 VanDerWaalsContact CB-OD2 3.29Å; H263-D395 WeakPolarHBondContact CB-OD2 3.48Å; H263-D395 IonicContact CE1-OD1 3.95Å; H263-D395 IonicContact CG-OD2 2.7Å; H263-D395 IonicContact ND1-OD1 3.44Å; H263-D395 PolarHBondContact ND1-OD1 2.92Å; H263-D395 IonicContact ND1-OD2 2.63Å; H263-D395 PolarHBondContact ND1-OD2 3.42Å; R325-D395 WeakPolarHBondContact CD-OD1 3.29Å; R325-D395 IonicContact CZ-OD1 2.75Å; R325-D395 IonicContact NE-OD1 2.7Å; R325-D395 PolarHBondContact NE-OD1 2.64Å; R325-D395 IonicContact NE-OD2 2.63Å; W329-D395 PolarHBondContact NE1-OD1 3.19Å; G390-D395 VanDerWaalsContact CA-O 3.26Å; G390-D395 WeakPolarHBondContact CA-O 3.33Å; G390-D395 WeakPolarHBondContact O-CA 3.34Å; G392-D395 PolarHBondContact O-N 3.47Å; G392-D395 VanDerWaalsContact O-N 3.16Å; P393-D395 VanDerWaalsContact C-N 3.28Å; P393-D395 PolarHBondContact O-N 2.87Å; D395-K397 PolarHBondContact O-N 3.45Å; D395-E398 PolarHBondContact O-N 3.37Å; D395-E398 VanDerWaalsContact O-N 3.12Å
396A97.2Very high95.8Very high0 Ų049.4 Ų49.40%026%0.263CS..Hα-helixtrans-53.4-28.817900000113.4V256 D260 W329 D394 E398 I399 M400V256-A396 HydrophobicContact CG1-CB 4.37Å; D260-A396 HydrophobicContact CB-CB 3.49Å; D260-A396 VanDerWaalsContact CB-CB 3.49Å; D260-A396 WeakPolarHBondContact OD1-CB 3.38Å; W329-A396 HydrophobicContact CH2-CB 3.6Å; W329-A396 HydrophobicContact CZ2-CB 3.64Å; D394-A396 PolarHBondContact O-N 2.96Å; A396-E398 PolarHBondContact O-N 3.24Å; A396-I399 PolarHBondContact O-N 3.41Å; A396-I399 VanDerWaalsContact O-N 3.09Å; A396-M400 HydrophobicContact CB-SD 4.33Å; A396-M400 WeakPolarHBondContact O-CG 3.2Å; A396-M400 PolarHBondContact O-N 3.42Å
397K97.4Very high96Very high86 Ų8648.3 Ų48.337%0.37428%0.277SS..Hα-helixtrans-65.2-29.4-176.6-53.1-46-176.6-1590112.3D260 D394 D395 M400 R401D260-K397 IonicContact OD1-NZ 3.68Å; D260-K397 IonicContact OD2-NZ 2.89Å; D260-K397 PolarHBondContact OD2-NZ 3.38Å; D394-K397 HydrophobicContact CB-CB 4.4Å; D394-K397 VanDerWaalsContact O-CB 3.24Å; D394-K397 WeakPolarHBondContact O-CB 3.3Å; D394-K397 WeakPolarHBondContact O-CG 3.28Å; D394-K397 PolarHBondContact O-N 2.93Å; D395-K397 PolarHBondContact O-N 3.45Å; K397-M400 HydrophobicContact CD-SD 3.52Å; K397-M400 VanDerWaalsContact CD-SD 3.52Å; K397-R401 VanDerWaalsContact O-CG 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.35Å; K397-R401 VanDerWaalsContact O-CZ 3.29Å; K397-R401 PolarHBondContact O-N 3.02Å; K397-R401 PolarHBondContact O-NE 3.09Å; K397-R401 VanDerWaalsContact O-NE 3.15Å
398E97.4Very high96.2Very high50 Ų5042.3 Ų42.323%0.23425%0.253CS..Hα-helixtrans-63.3-45.9172.9-62.3-177.1-178.100111.4L389 G390 D394 D395 A396 R401 H402L389-E398 HydrophobicContact CD1-CB 3.93Å; G390-E398 PolarHBondContact N-OE2 2.97Å; D394-E398 HydrophobicContact CB-CG 3.56Å; D395-E398 PolarHBondContact O-N 3.37Å; D395-E398 VanDerWaalsContact O-N 3.12Å; A396-E398 PolarHBondContact O-N 3.24Å; E398-R401 PolarHBondContact O-N 3.45Å; E398-H402 PolarHBondContact O-N 3.34Å
399I98.4Very high96.2Very high0 Ų045.9 Ų45.90%027%0.272CS..Hα-helixtrans-66.8-42.3179.2-58.8166.3000110V256 W329 L332 L376 L380 L389 A396 R401 H402 F405V256-I399 HydrophobicContact CG1-CG2 4.46Å; V256-I399 HydrophobicContact CG2-CG2 3.79Å; W329-I399 HydrophobicContact CB-CD1 4.28Å; W329-I399 HydrophobicContact CD2-CD1 3.23Å; W329-I399 HydrophobicContact CE3-CD1 3.14Å; W329-I399 HydrophobicContact CG-CD1 3.76Å; W329-I399 HydrophobicContact CH2-CD1 4.03Å; W329-I399 HydrophobicContact CZ2-CD1 4.11Å; W329-I399 HydrophobicContact CZ3-CD1 3.56Å; L332-I399 HydrophobicContact CD2-CD1 4.49Å; L332-I399 HydrophobicContact CD2-CG2 4.48Å; L376-I399 HydrophobicContact CD1-CG2 4.4Å; L380-I399 HydrophobicContact CD2-CD1 3.77Å; L380-I399 HydrophobicContact CD2-CG1 4.02Å; L389-I399 HydrophobicContact CD2-CG1 4Å; L389-I399 HydrophobicContact CG-CG1 3.78Å; A396-I399 PolarHBondContact O-N 3.41Å; A396-I399 VanDerWaalsContact O-N 3.09Å; I399-R401 PolarHBondContact O-N 2.92Å; I399-H402 VanDerWaalsContact O-CB 3.29Å; I399-H402 WeakPolarHBondContact O-CB 3.3Å; I399-H402 PolarHBondContact O-N 3.06Å; I399-H402 VanDerWaalsContact O-N 3.08Å; I399-F405 HydrophobicContact CG2-CD2 4.33Å; I399-F405 HydrophobicContact CG2-CE2 3.75Å; I399-F405 WeakPolarHBondContact O-CD2 3.47Å
400M98.4Very high96.2Very high31 Ų3146.5 Ų46.515%0.15327%0.273CS..Hα-helixtrans-62.4-26-179.3-68.8169.382.700113.9V256 A396 K397 W410V256-M400 HydrophobicContact CG1-CG 3.82Å; A396-M400 HydrophobicContact CB-SD 4.33Å; A396-M400 WeakPolarHBondContact O-CG 3.2Å; A396-M400 PolarHBondContact O-N 3.42Å; K397-M400 HydrophobicContact CD-SD 3.52Å; K397-M400 VanDerWaalsContact CD-SD 3.52Å; M400-W410 HydrophobicContact CB-CD2 4.17Å; M400-W410 HydrophobicContact CB-CH2 4.28Å; M400-W410 HydrophobicContact CB-CZ2 3.65Å; M400-W410 HydrophobicContact CE-CB 3.48Å; M400-W410 VanDerWaalsContact CE-CB 3.48Å; M400-W410 HydrophobicContact CE-CD2 3.25Å; M400-W410 HydrophobicContact CE-CE3 3.59Å; M400-W410 HydrophobicContact CE-CG 3.17Å; M400-W410 HydrophobicContact CE-CZ3 4.43Å; M400-W410 HydrophobicContact CG-CD2 3.79Å; M400-W410 HydrophobicContact CG-CE3 3.95Å; M400-W410 HydrophobicContact CG-CH2 3.74Å; M400-W410 HydrophobicContact CG-CZ2 3.6Å; M400-W410 HydrophobicContact CG-CZ3 3.9Å; M400-W410 PolarHBondContact O-NE1 2.87Å; M400-W410 VanDerWaalsContact O-NE1 3.15Å; M400-W410 HydrophobicContact SD-CD2 4.35Å; M400-W410 HydrophobicContact SD-CE3 4.45Å
401R97.7Very high96.3Very high156 Ų15651.5 Ų51.559%0.58930%0.296SS*.THydrogen-bonded Turntrans-91.3-5.8178.4-67.8178.8-58.7-122.83.4113.5D394 K397 E398 I399D394-R401 IonicContact OD2-CZ 3.78Å; D394-R401 IonicContact OD2-NH1 3.81Å; D394-R401 PolarHBondContact OD2-NH1 3.36Å; D394-R401 VanDerWaalsContact OD2-NH1 3.09Å; D394-R401 IonicContact OD2-NH2 3.93Å; D394-R401 PolarHBondContact OD2-NH2 3.43Å; K397-R401 VanDerWaalsContact O-CG 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.35Å; K397-R401 VanDerWaalsContact O-CZ 3.29Å; K397-R401 PolarHBondContact O-N 3.02Å; K397-R401 PolarHBondContact O-NE 3.09Å; K397-R401 VanDerWaalsContact O-NE 3.15Å; E398-R401 PolarHBondContact O-N 3.45Å; I399-R401 PolarHBondContact O-N 2.92Å
402H98.4Very high96.6Very high27 Ų2752.7 Ų52.713%0.12530%0.298CS..SBendtrans-67.4144.5-177.6-171.4-85.4000111.6D372 S375 L376 L389 E398 I399 F404 F405D372-H402 PolarHBondContact O-CE1 3.42Å; S375-H402 PolarHBondContact OG-NE2 3.02Å; L376-H402 VanDerWaalsContact CA-CE1 3.47Å; L376-H402 WeakPolarHBondContact CA-CE1 3.37Å; L376-H402 HydrophobicContact CD1-CB 4.17Å; L376-H402 PolarHBondContact N-CE1 3.07Å; L376-H402 PolarHBondContact N-NE2 3.48Å; L389-H402 HydrophobicContact CD2-CB 4.47Å; E398-H402 PolarHBondContact O-N 3.34Å; I399-H402 VanDerWaalsContact O-CB 3.29Å; I399-H402 WeakPolarHBondContact O-CB 3.3Å; I399-H402 PolarHBondContact O-N 3.06Å; I399-H402 VanDerWaalsContact O-N 3.08Å; H402-F404 WeakPolarHBondContact ND1-CB 3.31Å; H402-F404 PolarHBondContact ND1-N 3.13Å; H402-F404 VanDerWaalsContact ND1-N 3.19Å; H402-F404 PolarHBondContact O-N 2.94Å; H402-F404 VanDerWaalsContact O-N 3.11Å; H402-F405 PolarHBondContact O-N 2.97Å
403S97.9Very high96.9Very high52 Ų5252 Ų5236%0.36429%0.291SS..G310 helixtrans-56.6-31.9-174.959.10000113.9D372 F405 S406D372-S403 VanDerWaalsContact CG-OG 3.3Å; D372-S403 WeakPolarHBondContact OD1-CB 3.46Å; D372-S403 PolarHBondContact OD1-OG 2.84Å; S403-F405 PolarHBondContact O-N 2.75Å; S403-S406 WeakPolarHBondContact O-CB 3.39Å; S403-S406 PolarHBondContact O-N 3.14Å
404F98.6Very high97.3Very high3 Ų351.2 Ų51.21%0.01327%0.274CS..G310 helixtrans-56.2-31.6174.2-173.1-97.8000113.7E245 R249 M336 M340 D372 A373 L376 H402E245-F404 HydrophobicContact CB-CE2 4.22Å; E245-F404 HydrophobicContact CB-CZ 4.44Å; R249-F404 HydrophobicContact CB-CD1 4.42Å; R249-F404 HydrophobicContact CB-CE1 3.68Å; R249-F404 HydrophobicContact CB-CZ 4.03Å; R249-F404 WeakPolarHBondContact CD-O 3.29Å; R249-F404 HydrophobicContact CG-CD1 4.22Å; R249-F404 HydrophobicContact CG-CE1 3.97Å; R249-F404 PolarHBondContact NE-O 3.11Å; M336-F404 HydrophobicContact CE-CD1 4.08Å; M336-F404 HydrophobicContact CE-CE1 3.48Å; M336-F404 VanDerWaalsContact CE-CE1 3.48Å; M336-F404 HydrophobicContact CE-CZ 4.23Å; M340-F404 HydrophobicContact CE-CZ 4.46Å; M340-F404 HydrophobicContact SD-CE2 4.12Å; M340-F404 HydrophobicContact SD-CZ 3.93Å; D372-F404 HydrophobicContact CB-CB 4.26Å; D372-F404 HydrophobicContact CB-CD2 4.26Å; A373-F404 HydrophobicContact CB-CD2 3.96Å; A373-F404 HydrophobicContact CB-CE2 3.71Å; L376-F404 HydrophobicContact CB-CB 4Å; L376-F404 HydrophobicContact CB-CG 4.33Å; L376-F404 HydrophobicContact CD2-CB 3.93Å; L376-F404 HydrophobicContact CD2-CD1 3.36Å; L376-F404 HydrophobicContact CD2-CE1 3.96Å; L376-F404 HydrophobicContact CD2-CG 3.69Å; L376-F404 HydrophobicContact CG-CB 4.44Å; H402-F404 WeakPolarHBondContact ND1-CB 3.31Å; H402-F404 PolarHBondContact ND1-N 3.13Å; H402-F404 VanDerWaalsContact ND1-N 3.19Å; H402-F404 PolarHBondContact O-N 2.94Å; H402-F404 VanDerWaalsContact O-N 3.11Å
405F98.4Very high97.5Very high4 Ų450.8 Ų50.82%0.01827%0.271CS..G310 helixtrans-98.415.8175.5-62.8-73.1000112.8R249 A253 V256 M336 L376 I399 H402 S403 G407 V408 W410R249-F405 HydrophobicContact CG-CD1 3.71Å; R249-F405 HydrophobicContact CG-CE1 4.07Å; A253-F405 HydrophobicContact CB-CD1 4.2Å; A253-F405 HydrophobicContact CB-CE1 4.09Å; V256-F405 HydrophobicContact CG2-CZ 4.48Å; M336-F405 HydrophobicContact CE-CE1 4.5Å; M336-F405 HydrophobicContact CE-CZ 3.88Å; M336-F405 HydrophobicContact SD-CZ 4.33Å; L376-F405 HydrophobicContact CD1-CE2 4.07Å; L376-F405 HydrophobicContact CD2-CE2 3.79Å; L376-F405 HydrophobicContact CD2-CZ 4.14Å; I399-F405 HydrophobicContact CG2-CD2 4.33Å; I399-F405 HydrophobicContact CG2-CE2 3.75Å; I399-F405 WeakPolarHBondContact O-CD2 3.47Å; H402-F405 PolarHBondContact O-N 2.97Å; S403-F405 PolarHBondContact O-N 2.75Å; F405-G407 PolarHBondContact O-N 2.91Å; F405-V408 HydrophobicContact CB-CB 4.45Å; F405-V408 HydrophobicContact CB-CG2 4.21Å; F405-V408 HydrophobicContact CD1-CG2 4.31Å; F405-V408 VanDerWaalsContact O-CB 3.3Å; F405-V408 WeakPolarHBondContact O-CB 3.46Å; F405-V408 WeakPolarHBondContact O-CG2 2.98Å; F405-V408 PolarHBondContact O-N 3.44Å; F405-W410 HydrophobicContact CB-CZ2 3.82Å; F405-W410 HydrophobicContact CD1-CH2 4.16Å; F405-W410 HydrophobicContact CD1-CZ2 4.21Å; F405-W410 HydrophobicContact CD2-CZ2 4.39Å; F405-W410 HydrophobicContact CE1-CH2 4.49Å; F405-W410 HydrophobicContact CG-CH2 4.19Å; F405-W410 AromaticContact CG-CZ2 3.9Å; F405-W410 HydrophobicContact CG-CZ2 3.9Å
406S96.2Very high97.6Very high98 Ų9853.1 Ų53.169%0.68528%0.281SS*.THydrogen-bonded Turntrans-56131.4174.3-175.30000110.7S403 V408S403-S406 WeakPolarHBondContact O-CB 3.39Å; S403-S406 PolarHBondContact O-N 3.14Å; S406-V408 VanDerWaalsContact C-N 3.32Å
407G94Very high97.6Very high83 Ų8359 Ų5986%0.85631%0.307SS*.THydrogen-bonded Turntrans84.5-5.8-176.900000115.4F405 N409F405-G407 PolarHBondContact O-N 2.91Å; G407-N409 PolarHBondContact O-N 2.86Å
408V97.2Very high97.4Very high28 Ų2857.5 Ų57.517%0.1730%0.302CS..  trans-75.2118.9173.2177.70000109.8R249 A253 F405 S406 W410 V413R249-V408 HydrophobicContact CG-CG2 4.19Å; A253-V408 HydrophobicContact CB-CG1 4.13Å; F405-V408 HydrophobicContact CB-CB 4.45Å; F405-V408 HydrophobicContact CB-CG2 4.21Å; F405-V408 HydrophobicContact CD1-CG2 4.31Å; F405-V408 VanDerWaalsContact O-CB 3.3Å; F405-V408 WeakPolarHBondContact O-CB 3.46Å; F405-V408 WeakPolarHBondContact O-CG2 2.98Å; F405-V408 PolarHBondContact O-N 3.44Å; S406-V408 VanDerWaalsContact C-N 3.32Å; V408-W410 HydrophobicContact CG1-CD2 4.23Å; V408-W410 HydrophobicContact CG1-CZ2 4.35Å; V408-W410 PolarHBondContact O-N 3.06Å; V408-V413 HydrophobicContact CG1-CG2 3.48Å; V408-V413 VanDerWaalsContact CG1-CG2 3.48Å
409N97.8Very high97.3Very high77 Ų7761.2 Ų61.241%0.41233%0.328SS..  trans-84.7106.6166.6-178.4-13.5000109.5G407 Q411 D412 V413G407-N409 PolarHBondContact O-N 2.86Å; N409-Q411 VanDerWaalsContact C-N 3.26Å; N409-Q411 PolarHBondContact O-N 2.93Å; N409-Q411 WeakPolarHBondContact OD1-CB 3.49Å; N409-Q411 PolarHBondContact OD1-N 2.94Å; N409-D412 HydrophobicContact CB-CB 3.98Å; N409-D412 WeakPolarHBondContact CB-OD2 3.35Å; N409-D412 VanDerWaalsContact CG-OD2 3.27Å; N409-D412 VanDerWaalsContact ND2-CG 3.29Å; N409-D412 PolarHBondContact ND2-OD2 2.85Å; N409-D412 WeakPolarHBondContact O-CB 3.29Å; N409-D412 PolarHBondContact O-N 3.41Å; N409-D412 PolarHBondContact OD1-N 2.84Å; N409-V413 WeakPolarHBondContact O-CG2 3.26Å; N409-V413 PolarHBondContact O-N 2.86Å
410W97.9Very high97.2Very high44 Ų4462.4 Ų62.417%0.16734%0.336CS..Hα-helixtrans-64.8-26-176.8-65.998.5000114.4A253 V256 M400 F405 V408 V413 Y414A253-W410 HydrophobicContact CB-CH2 4.01Å; A253-W410 HydrophobicContact CB-CZ3 3.93Å; A253-W410 WeakPolarHBondContact O-CZ3 3.11Å; V256-W410 HydrophobicContact CB-CH2 4.03Å; V256-W410 HydrophobicContact CB-CZ3 3.89Å; V256-W410 HydrophobicContact CG1-CH2 3.77Å; V256-W410 HydrophobicContact CG1-CZ3 3.68Å; M400-W410 HydrophobicContact CB-CD2 4.17Å; M400-W410 HydrophobicContact CB-CH2 4.28Å; M400-W410 HydrophobicContact CB-CZ2 3.65Å; M400-W410 HydrophobicContact CE-CB 3.48Å; M400-W410 VanDerWaalsContact CE-CB 3.48Å; M400-W410 HydrophobicContact CE-CD2 3.25Å; M400-W410 HydrophobicContact CE-CE3 3.59Å; M400-W410 HydrophobicContact CE-CG 3.17Å; M400-W410 HydrophobicContact CE-CZ3 4.43Å; M400-W410 HydrophobicContact CG-CD2 3.79Å; M400-W410 HydrophobicContact CG-CE3 3.95Å; M400-W410 HydrophobicContact CG-CH2 3.74Å; M400-W410 HydrophobicContact CG-CZ2 3.6Å; M400-W410 HydrophobicContact CG-CZ3 3.9Å; M400-W410 PolarHBondContact O-NE1 2.87Å; M400-W410 VanDerWaalsContact O-NE1 3.15Å; M400-W410 HydrophobicContact SD-CD2 4.35Å; M400-W410 HydrophobicContact SD-CE3 4.45Å; F405-W410 HydrophobicContact CB-CZ2 3.82Å; F405-W410 HydrophobicContact CD1-CH2 4.16Å; F405-W410 HydrophobicContact CD1-CZ2 4.21Å; F405-W410 HydrophobicContact CD2-CZ2 4.39Å; F405-W410 HydrophobicContact CE1-CH2 4.49Å; F405-W410 HydrophobicContact CG-CH2 4.19Å; F405-W410 AromaticContact CG-CZ2 3.9Å; F405-W410 HydrophobicContact CG-CZ2 3.9Å; V408-W410 HydrophobicContact CG1-CD2 4.23Å; V408-W410 HydrophobicContact CG1-CZ2 4.35Å; V408-W410 PolarHBondContact O-N 3.06Å; W410-V413 WeakPolarHBondContact O-CB 3.47Å; W410-Y414 PolarHBondContact O-N 2.85Å
411Q97.8Very high97Very high106 Ų10664.2 Ų64.250%0.49535%0.35SS..Hα-helixtrans-71.7-38.4171.6-170.661.350.900110.9N409 V413 Y414 D415N409-Q411 VanDerWaalsContact C-N 3.26Å; N409-Q411 PolarHBondContact O-N 2.93Å; N409-Q411 WeakPolarHBondContact OD1-CB 3.49Å; N409-Q411 PolarHBondContact OD1-N 2.94Å; Q411-V413 VanDerWaalsContact C-N 3.31Å; Q411-V413 PolarHBondContact O-N 2.88Å; Q411-Y414 PolarHBondContact O-N 2.91Å; Q411-D415 PolarHBondContact NE2-OD1 3.34Å; Q411-D415 WeakPolarHBondContact O-CB 3.23Å; Q411-D415 PolarHBondContact O-N 2.8Å
412D98.2Very high96.8Very high44 Ų4459.1 Ų59.124%0.23533%0.332CS..Hα-helixtrans-70.3-29.3176.1-67.2-23.6000112.2N409 K416 K417 L418N409-D412 HydrophobicContact CB-CB 3.98Å; N409-D412 WeakPolarHBondContact CB-OD2 3.35Å; N409-D412 VanDerWaalsContact CG-OD2 3.27Å; N409-D412 VanDerWaalsContact ND2-CG 3.29Å; N409-D412 PolarHBondContact ND2-OD2 2.85Å; N409-D412 WeakPolarHBondContact O-CB 3.29Å; N409-D412 PolarHBondContact O-N 3.41Å; N409-D412 PolarHBondContact OD1-N 2.84Å; D412-K416 PolarHBondContact O-N 2.69Å; D412-K417 HydrophobicContact CB-CB 3.96Å; D412-K417 HydrophobicContact CB-CD 4.28Å; D412-K417 PolarHBondContact O-N 3.31Å; D412-K417 WeakPolarHBondContact OD1-CD 3.2Å; D412-K417 IonicContact OD1-NZ 2.88Å; D412-L418 HydrophobicContact CB-CD2 4.01Å; D412-L418 HydrophobicContact CB-CG 4.42Å
413V98.2Very high96.5Very high1 Ų163.9 Ų63.91%0.00635%0.352CS..Hα-helixtrans-60-59.2166.7173.10000109.3F207 A253 E254 V408 N409 W410 Q411 D415 K416 L418F207-V413 HydrophobicContact CE2-CG1 3.73Å; F207-V413 WeakPolarHBondContact CE2-O 3.34Å; F207-V413 HydrophobicContact CZ-CG1 4.22Å; F207-V413 WeakPolarHBondContact CZ-O 3.17Å; A253-V413 HydrophobicContact CB-CG1 4.41Å; A253-V413 HydrophobicContact CB-CG2 4.09Å; E254-V413 HydrophobicContact CG-CG1 4.24Å; V408-V413 HydrophobicContact CG1-CG2 3.48Å; V408-V413 VanDerWaalsContact CG1-CG2 3.48Å; N409-V413 WeakPolarHBondContact O-CG2 3.26Å; N409-V413 PolarHBondContact O-N 2.86Å; W410-V413 WeakPolarHBondContact O-CB 3.47Å; Q411-V413 VanDerWaalsContact C-N 3.31Å; Q411-V413 PolarHBondContact O-N 2.88Å; V413-D415 VanDerWaalsContact C-N 3.3Å; V413-D415 PolarHBondContact O-N 2.96Å; V413-K416 PolarHBondContact O-N 3.1Å; V413-L418 HydrophobicContact CG2-CD1 3.5Å; V413-L418 VanDerWaalsContact CG2-CD1 3.5Å; V413-L418 HydrophobicContact CG2-CG 4.34Å
414Y97.7Very high96.2Very high98 Ų9861.7 Ų61.738%0.38434%0.337SS..Hα-helixtrans-56.2-42.8-179.7-175.8-88.3000112.6H205 P206 W410 Q411 K416H205-Y414 AromaticContact CD2-CD2 3.98Å; H205-Y414 AromaticContact CD2-CE2 3.55Å; H205-Y414 AromaticContact NE2-CD2 3.52Å; H205-Y414 AromaticContact NE2-CE2 3.62Å; P206-Y414 HydrophobicContact CG-CD2 4.14Å; P206-Y414 HydrophobicContact CG-CE2 4.25Å; P206-Y414 HydrophobicContact CG-CG 4.44Å; P206-Y414 VanDerWaalsContact CG-O 3.29Å; P206-Y414 WeakPolarHBondContact CG-O 3.14Å; W410-Y414 PolarHBondContact O-N 2.85Å; Q411-Y414 PolarHBondContact O-N 2.91Å; Y414-K416 PolarHBondContact O-N 3.02Å; Y414-K416 VanDerWaalsContact O-N 3.14Å
415D97.6Very high95.9Very high66 Ų6668.4 Ų68.435%0.35337%0.368SS..THydrogen-bonded Turntrans-763.8-179.1-65.1-14.5000113.6Q411 V413 K417Q411-D415 PolarHBondContact NE2-OD1 3.34Å; Q411-D415 WeakPolarHBondContact O-CB 3.23Å; Q411-D415 PolarHBondContact O-N 2.8Å; V413-D415 VanDerWaalsContact C-N 3.3Å; V413-D415 PolarHBondContact O-N 2.96Å; D415-K417 HydrophobicContact CB-CD 3.84Å; D415-K417 HydrophobicContact CB-CG 3.93Å; D415-K417 PolarHBondContact O-N 3.03Å; D415-K417 WeakPolarHBondContact OD2-CE 3.43Å; D415-K417 IonicContact OD2-NZ 3.3Å; D415-K417 PolarHBondContact OD2-NZ 3.23Å
416K97.1Very high95.4Very high62 Ų6269.8 Ų69.827%0.2738%0.377SS..THydrogen-bonded Turntrans51.937.9-173.7-64.6-168.6169.6-165.20113.5P206 F207 D280 D412 V413 Y414P206-K416 HydrophobicContact CB-CD 4.29Å; P206-K416 HydrophobicContact CB-CG 4.09Å; P206-K416 WeakPolarHBondContact O-CE 3.19Å; P206-K416 PolarHBondContact O-NZ 3.31Å; F207-K416 HydrophobicContact CE1-CD 4.26Å; F207-K416 HydrophobicContact CE1-CG 3.77Å; F207-K416 HydrophobicContact CZ-CG 4.01Å; D280-K416 IonicContact OD2-NZ 3.12Å; D280-K416 PolarHBondContact OD2-NZ 3.33Å; D412-K416 PolarHBondContact O-N 2.69Å; V413-K416 PolarHBondContact O-N 3.1Å; Y414-K416 PolarHBondContact O-N 3.02Å; Y414-K416 VanDerWaalsContact O-N 3.14Å
417K96.8Very high94.9Very high124 Ų12469.9 Ų69.954%0.53937%0.374SS..  trans-87.4-19.4178.5-72.8167.8179.3156.70113.3D412 D415D412-K417 HydrophobicContact CB-CB 3.96Å; D412-K417 HydrophobicContact CB-CD 4.28Å; D412-K417 PolarHBondContact O-N 3.31Å; D412-K417 WeakPolarHBondContact OD1-CD 3.2Å; D412-K417 IonicContact OD1-NZ 2.88Å; D415-K417 HydrophobicContact CB-CD 3.84Å; D415-K417 HydrophobicContact CB-CG 3.93Å; D415-K417 PolarHBondContact O-N 3.03Å; D415-K417 WeakPolarHBondContact OD2-CE 3.43Å; D415-K417 IonicContact OD2-NZ 3.3Å; D415-K417 PolarHBondContact OD2-NZ 3.23Å
418L94.3Very high94.6Very high53 Ų5368.5 Ų68.528%0.27735%0.351SS..SBendtrans-71.6137.1174.8-58.4-169.6000110.2F250 H284 D412 V413 P420F250-L418 HydrophobicContact CD2-CB 4.21Å; F250-L418 HydrophobicContact CE2-CB 3.63Å; H284-L418 PolarHBondContact CE1-O 3.08Å; D412-L418 HydrophobicContact CB-CD2 4.01Å; D412-L418 HydrophobicContact CB-CG 4.42Å; V413-L418 HydrophobicContact CG2-CD1 3.5Å; V413-L418 VanDerWaalsContact CG2-CD1 3.5Å; V413-L418 HydrophobicContact CG2-CG 4.34Å; L418-P420 WeakPolarHBondContact O-CD 3.21Å
419V94.7Very high93.9Very high128 Ų12873.4 Ų73.478%0.77637%0.372SS*.PPolyproline II helixtrans-77.4122.5178.1-179.90000109.3
420P95.5Very high93.1Very high26 Ų2672 Ų7217%0.16937%0.366CS..PPolyproline II helixtrans-59.6135.3176.2-27.237.2000112.1F250 D282 H284 L418 F422F250-P420 HydrophobicContact CE1-CB 4.13Å; F250-P420 HydrophobicContact CE1-CG 4.38Å; F250-P420 HydrophobicContact CZ-CB 3.91Å; F250-P420 HydrophobicContact CZ-CG 3.8Å; D282-P420 WeakPolarHBondContact O-CG 3.29Å; H284-P420 WeakPolarHBondContact NE2-CG 3.39Å; L418-P420 WeakPolarHBondContact O-CD 3.21Å; P420-F422 PolarHBondContact O-N 3.37Å
421P94.5Very high92.5Very high69 Ų6970.6 Ų70.645%0.44836%0.362SS..SBendtrans-68.9-16.7178.829.9-37.1000112.5R247 F250R247-P421 HydrophobicContact CB-CB 4.27Å; R247-P421 HydrophobicContact CB-CG 4.01Å; R247-P421 HydrophobicContact CG-CB 4.37Å; R247-P421 HydrophobicContact CG-CG 3.74Å; F250-P421 HydrophobicContact CB-CG 4.14Å; F250-P421 VanDerWaalsContact CD1-CD 3.45Å; F250-P421 HydrophobicContact CD1-CG 4.15Å; F250-P421 VanDerWaalsContact CG-CD 3.46Å; F250-P421 HydrophobicContact CG-CG 4.12Å
422F93.7Very high91.9Very high48 Ų4866.1 Ų66.121%0.21134%0.342CS..  trans-141.4129.5178.8170.7-99.2000109.4H236 L279 G283 P420 P424H236-F422 AromaticContact CE1-CE1 3.48Å; H236-F422 VanDerWaalsContact CE1-CE1 3.48Å; H236-F422 WeakPolarHBondContact CE1-CE1 3.41Å; H236-F422 AromaticContact CE1-CZ 3.7Å; H236-F422 AromaticContact ND1-CE1 3.54Å; H236-F422 AromaticContact ND1-CZ 3.58Å; H236-F422 AromaticContact NE2-CE1 3.92Å; L279-F422 HydrophobicContact CD1-CD1 3.78Å; L279-F422 HydrophobicContact CD1-CE1 4.03Å; G283-F422 WeakPolarHBondContact CA-O 3.31Å; P420-F422 PolarHBondContact O-N 3.37Å; F422-P424 HydrophobicContact CD1-CG 4.3Å; F422-P424 HydrophobicContact CE1-CB 4.25Å; F422-P424 HydrophobicContact CE1-CG 3.82Å
423K93.1Very high91.4Very high127 Ų12769.5 Ų69.555%0.55235%0.351SS*.  trans-109.9118.4172.6-174.2165.8-173.8148.60109.4K281 D282K281-K423 WeakPolarHBondContact O-CE 3.26Å; D282-K423 IonicContact OD1-NZ 3.54Å; D282-K423 PolarHBondContact OD1-NZ 2.89Å
424P91.7Very high90.8Very high6 Ų670.4 Ų70.44%0.03936%0.355CS..  trans-56.5143.6175.3-25.334.4000112.1L279 F422 V426 Y434L279-P424 HydrophobicContact CB-CG 4Å; L279-P424 HydrophobicContact CD1-CG 4.16Å; F422-P424 HydrophobicContact CD1-CG 4.3Å; F422-P424 HydrophobicContact CE1-CB 4.25Å; F422-P424 HydrophobicContact CE1-CG 3.82Å; P424-V426 HydrophobicContact CB-CG2 4.04Å; P424-V426 PolarHBondContact O-N 2.78Å; P424-Y434 HydrophobicContact CB-CE2 3.86Å
425Q90.9Very high90.1Very high144 Ų14467.2 Ų67.267%0.67334%0.343SS*.  trans-83.951.1-180-63.6-178.7-1200111.5R433 Y434Q425-R433 VanDerWaalsContact O-CZ 3.22Å; Q425-R433 PolarHBondContact O-NE 3.49Å; Q425-R433 PolarHBondContact O-NH1 3.21Å; Q425-Y434 PolarHBondContact N-OH 3.3Å
426V88.3Confident89.4Confident33 Ų3368.1 Ų68.120%0.235%0.348CS..  trans-69.5126.9176171.40000109.2N229 K281 P424 S428 D431 Y434N229-V426 VanDerWaalsContact ND2-CG1 3.26Å; N229-V426 WeakPolarHBondContact ND2-CG1 3.4Å; N229-V426 WeakPolarHBondContact O-CG2 3.41Å; K281-V426 HydrophobicContact CB-CB 4.49Å; K281-V426 HydrophobicContact CB-CG1 4.44Å; P424-V426 HydrophobicContact CB-CG2 4.04Å; P424-V426 PolarHBondContact O-N 2.78Å; V426-S428 VanDerWaalsContact CG1-O 3.26Å; V426-S428 WeakPolarHBondContact CG1-O 3.4Å; V426-D431 HydrophobicContact CG1-CB 4.05Å; V426-Y434 HydrophobicContact CG2-CD2 4.46Å; V426-Y434 HydrophobicContact CG2-CE2 4.04Å
427T86Confident88.7Confident101 Ų10172.7 Ų72.762%0.6237%0.37SS*.  trans-100.2-19-176.454.50000114.5D431 R433T427-D431 PolarHBondContact N-OD2 3.1Å; T427-D431 PolarHBondContact OG1-OD2 3.36Å; T427-R433 PolarHBondContact OG1-NH2 3.46Å
428S86.7Confident87.9Confident53 Ų5372.9 Ų72.937%0.37137%0.373SS..SBendtrans-155.8165.5178.466.50000111V426 T430 D431V426-S428 VanDerWaalsContact CG1-O 3.26Å; V426-S428 WeakPolarHBondContact CG1-O 3.4Å; S428-T430 PolarHBondContact O-N 2.77Å; S428-T430 PolarHBondContact OG-OG1 2.81Å; S428-D431 VanDerWaalsContact O-CB 3.26Å; S428-D431 WeakPolarHBondContact O-CB 3.48Å; S428-D431 PolarHBondContact O-N 3.44Å; S428-D431 VanDerWaalsContact O-N 3.1Å; S428-D431 PolarHBondContact OG-N 2.81Å
429E82.5Confident87.2Confident131 Ų13172.6 Ų72.661%0.61237%0.369SS*.THydrogen-bonded Turntrans-62.6-22.3175.2-64.1-172.3175.600113.1Y173 Y227Y173-E429 HydrophobicContact CD2-CB 3.81Å; Y173-E429 VanDerWaalsContact CD2-OE2 3.28Å; Y173-E429 WeakPolarHBondContact CD2-OE2 3.15Å; Y173-E429 HydrophobicContact CE2-CB 4Å; Y173-E429 WeakPolarHBondContact CE2-OE2 3.3Å; Y227-E429 VanDerWaalsContact CE1-O 3.23Å; Y227-E429 WeakPolarHBondContact CE1-O 3.49Å
430T82.3Confident86.5Confident48 Ų4867.6 Ų67.629%0.29434%0.339SS..THydrogen-bonded Turntrans-99.78.1177.453.30000113.7L151 Y173 S428 T432L151-T430 HydrophobicContact CD1-CG2 4.41Å; Y173-T430 HydrophobicContact CD1-CG2 3.66Å; Y173-T430 HydrophobicContact CD2-CG2 4.48Å; Y173-T430 HydrophobicContact CE1-CG2 3.11Å; Y173-T430 HydrophobicContact CE2-CG2 4.06Å; Y173-T430 HydrophobicContact CG-CG2 4.31Å; S428-T430 PolarHBondContact O-N 2.77Å; S428-T430 PolarHBondContact OG-OG1 2.81Å; T430-T432 PolarHBondContact O-N 2.81Å
431D84.6Confident85.7Confident15 Ų1570.4 Ų70.48%0.0837%0.365CS..  trans-64.6120.7-176.8-164.4-21.9000110.5Y227 V426 T427 S428 R433Y227-D431 PolarHBondContact OH-O 3.44Å; V426-D431 HydrophobicContact CG1-CB 4.05Å; T427-D431 PolarHBondContact N-OD2 3.1Å; T427-D431 PolarHBondContact OG1-OD2 3.36Å; S428-D431 VanDerWaalsContact O-CB 3.26Å; S428-D431 WeakPolarHBondContact O-CB 3.48Å; S428-D431 PolarHBondContact O-N 3.44Å; S428-D431 VanDerWaalsContact O-N 3.1Å; S428-D431 PolarHBondContact OG-N 2.81Å; D431-R433 VanDerWaalsContact CG-NE 3.31Å; D431-R433 VanDerWaalsContact OD1-CB 3.29Å; D431-R433 WeakPolarHBondContact OD1-CB 3.37Å; D431-R433 WeakPolarHBondContact OD1-CG 3.37Å; D431-R433 PolarHBondContact OD1-N 3.29Å; D431-R433 IonicContact OD1-NE 2.66Å; D431-R433 PolarHBondContact OD1-NE 2.56Å; D431-R433 VanDerWaalsContact OD1-NE 3.12Å; D431-R433 IonicContact OD2-CZ 3.69Å; D431-R433 IonicContact OD2-NE 3.9Å; D431-R433 PolarHBondContact OD2-NE 3.04Å; D431-R433 IonicContact OD2-NH2 3.09Å; D431-R433 PolarHBondContact OD2-NH2 3.31Å; D431-R433 VanDerWaalsContact OD2-NH2 3.11Å
432T85.7Confident84.8Confident11 Ų1170.9 Ų70.97%0.06736%0.361CS..  trans-11217-179.962.40000112.9K152 L154 L164 T430 Y434 F435 T440K152-T432 HydrophobicContact CB-CG2 4.44Å; K152-T432 HydrophobicContact CD-CG2 3.53Å; K152-T432 PolarHBondContact NZ-OG1 3.13Å; L154-T432 HydrophobicContact CD2-CG2 4Å; L164-T432 HydrophobicContact CD2-CG2 4.2Å; T430-T432 PolarHBondContact O-N 2.81Å; T432-Y434 PolarHBondContact O-N 3.49Å; T432-F435 HydrophobicContact CG2-CD2 4.46Å; T432-F435 PolarHBondContact O-N 3.06Å; T432-T440 HydrophobicContact CG2-CG2 4.39Å
433R86.8Confident83.7Confident116 Ų11674.1 Ų74.144%0.43839%0.385SS..THydrogen-bonded Turntrans-59.6-19-174.870.8-179.558-160.4-13115.7Q425 T427 D431Q425-R433 VanDerWaalsContact O-CZ 3.22Å; Q425-R433 PolarHBondContact O-NE 3.49Å; Q425-R433 PolarHBondContact O-NH1 3.21Å; T427-R433 PolarHBondContact OG1-NH2 3.46Å; D431-R433 VanDerWaalsContact CG-NE 3.31Å; D431-R433 VanDerWaalsContact OD1-CB 3.29Å; D431-R433 WeakPolarHBondContact OD1-CB 3.37Å; D431-R433 WeakPolarHBondContact OD1-CG 3.37Å; D431-R433 PolarHBondContact OD1-N 3.29Å; D431-R433 IonicContact OD1-NE 2.66Å; D431-R433 PolarHBondContact OD1-NE 2.56Å; D431-R433 VanDerWaalsContact OD1-NE 3.12Å; D431-R433 IonicContact OD2-CZ 3.69Å; D431-R433 IonicContact OD2-NE 3.9Å; D431-R433 PolarHBondContact OD2-NE 3.04Å; D431-R433 IonicContact OD2-NH2 3.09Å; D431-R433 PolarHBondContact OD2-NH2 3.31Å; D431-R433 VanDerWaalsContact OD2-NH2 3.11Å
434Y86.3Confident82.3Confident20 Ų2070.2 Ų70.28%0.07837%0.37CS..THydrogen-bonded Turntrans-101.55-179.8-58-58.7000112.8N229 G231 F235 H236 P424 Q425 V426 T432N229-Y434 WeakPolarHBondContact O-CD2 3.09Å; G231-Y434 VanDerWaalsContact CA-CB 3.48Å; F235-Y434 AromaticContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CE1 4.47Å; F235-Y434 AromaticContact CE1-CD1 3.36Å; F235-Y434 HydrophobicContact CE1-CD1 3.36Å; F235-Y434 AromaticContact CE1-CE1 3.75Å; F235-Y434 HydrophobicContact CE1-CE1 3.75Å; F235-Y434 AromaticContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CE1 4.41Å; H236-Y434 AromaticContact CE1-CE1 3.96Å; P424-Y434 HydrophobicContact CB-CE2 3.86Å; Q425-Y434 PolarHBondContact N-OH 3.3Å; V426-Y434 HydrophobicContact CG2-CD2 4.46Å; V426-Y434 HydrophobicContact CG2-CE2 4.04Å; T432-Y434 PolarHBondContact O-N 3.49Å
435F83.8Confident80.8Confident30 Ų3074 Ų7413%0.13239%0.392CS..SBendtrans-100.3153.3171.1-68.5-93.8000109.3L154 Y227 V228 M278 T432 E437 T440L154-F435 HydrophobicContact CB-CD1 3.91Å; L154-F435 HydrophobicContact CB-CE1 3.91Å; L154-F435 HydrophobicContact CD1-CE1 4.21Å; L154-F435 HydrophobicContact CD1-CZ 4.34Å; L154-F435 HydrophobicContact CD2-CD1 3.83Å; L154-F435 HydrophobicContact CD2-CD2 4.12Å; L154-F435 HydrophobicContact CD2-CE1 3.89Å; L154-F435 HydrophobicContact CD2-CE2 4.17Å; L154-F435 HydrophobicContact CD2-CG 3.95Å; L154-F435 HydrophobicContact CD2-CZ 4.05Å; L154-F435 HydrophobicContact CG-CD1 4.39Å; L154-F435 HydrophobicContact CG-CE1 4.22Å; Y227-F435 AromaticContact CE2-CE2 3.74Å; Y227-F435 HydrophobicContact CE2-CE2 3.74Å; Y227-F435 AromaticContact CE2-CZ 3.58Å; Y227-F435 HydrophobicContact CE2-CZ 3.58Å; Y227-F435 AromaticContact CZ-CE2 3.88Å; Y227-F435 VanDerWaalsContact OH-CE2 3.22Å; Y227-F435 WeakPolarHBondContact OH-CE2 2.96Å; V228-F435 WeakPolarHBondContact O-CZ 3.25Å; M278-F435 HydrophobicContact CE-CE1 4.01Å; M278-F435 HydrophobicContact CE-CZ 3.76Å; T432-F435 HydrophobicContact CG2-CD2 4.46Å; T432-F435 PolarHBondContact O-N 3.06Å; F435-E437 PolarHBondContact O-N 2.86Å; F435-T440 HydrophobicContact CB-CG2 3.65Å
436D82.2Confident79.2Confident86 Ų8669.9 Ų69.946%0.4637%0.374SS..  trans-58.1129.3178.8-158-38.2000111.4E438 F439 T440D436-E438 PolarHBondContact O-N 2.89Å; D436-E438 VanDerWaalsContact OD1-CB 3.28Å; D436-E438 WeakPolarHBondContact OD1-CB 3.3Å; D436-E438 PolarHBondContact OD1-N 3.3Å; D436-F439 HydrophobicContact CB-CD2 3.55Å; D436-F439 HydrophobicContact CB-CE2 3.86Å; D436-F439 HydrophobicContact CB-CG 4.48Å; D436-F439 PolarHBondContact O-N 3.04Å; D436-F439 VanDerWaalsContact O-N 3.15Å; D436-T440 PolarHBondContact O-N 2.83Å; D436-T440 PolarHBondContact O-OG1 3.31Å
437E82.3Confident77.4Confident158 Ų15872.2 Ų72.274%0.73839%0.389SS*.Hα-helixtrans-62.7-29174.8-70.1-172.2176.200111.2F435 F439 T440 A441F435-E437 PolarHBondContact O-N 2.86Å; E437-F439 PolarHBondContact O-N 3.13Å; E437-T440 WeakPolarHBondContact CA-OG1 3.18Å; E437-T440 PolarHBondContact O-N 3.34Å; E437-A441 WeakPolarHBondContact O-CB 3.31Å; E437-A441 PolarHBondContact O-N 2.87Å
438E80.8Confident75.4Confident127 Ų12772.1 Ų72.159%0.59339%0.39SS*.Hα-helixtrans-55.4-39.5174.1-171.2-173152.800111D436 Q442D436-E438 PolarHBondContact O-N 2.89Å; D436-E438 VanDerWaalsContact OD1-CB 3.28Å; D436-E438 WeakPolarHBondContact OD1-CB 3.3Å; D436-E438 PolarHBondContact OD1-N 3.3Å; E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.3Å; E438-Q442 PolarHBondContact O-NE2 3.41Å
439F79.2Confident73.2Confident47 Ų4773.2 Ų73.221%0.20640%0.396CS..Hα-helixtrans-86.8-46.5178.9-56.3-53.2000111.9L153 K156 D436 E437 A441 Q442L153-F439 HydrophobicContact CD2-CB 4.38Å; L153-F439 HydrophobicContact CD2-CD1 4.5Å; L153-F439 HydrophobicContact CG-CB 4.29Å; L153-F439 CarbonylContact O-C 3.58Å; K156-F439 HydrophobicContact CB-CD1 4.47Å; K156-F439 HydrophobicContact CB-CE1 4.23Å; D436-F439 HydrophobicContact CB-CD2 3.55Å; D436-F439 HydrophobicContact CB-CE2 3.86Å; D436-F439 HydrophobicContact CB-CG 4.48Å; D436-F439 PolarHBondContact O-N 3.04Å; D436-F439 VanDerWaalsContact O-N 3.15Å; E437-F439 PolarHBondContact O-N 3.13Å; F439-A441 VanDerWaalsContact C-N 3.27Å; F439-A441 PolarHBondContact O-N 3.18Å; F439-Q442 WeakPolarHBondContact O-CB 3.44Å; F439-Q442 PolarHBondContact O-N 2.9Å
440T80.5Confident71.2Confident24 Ų2474.7 Ų74.715%0.14740%0.403CS..Hα-helixtrans-71.9-19.8-171.559.60000113.9L153 T432 F435 D436 E437L153-T440 WeakPolarHBondContact O-CA 3.3Å; L153-T440 PolarHBondContact O-N 2.97Å; T432-T440 HydrophobicContact CG2-CG2 4.39Å; F435-T440 HydrophobicContact CB-CG2 3.65Å; D436-T440 PolarHBondContact O-N 2.83Å; D436-T440 PolarHBondContact O-OG1 3.31Å; E437-T440 WeakPolarHBondContact CA-OG1 3.18Å; E437-T440 PolarHBondContact O-N 3.34Å
441A77.5Confident69Low85 Ų8581.5 Ų81.570%0.70243%0.428SS*.THydrogen-bonded Turntrans-83-12.7172.300000113.6E437 F439E437-A441 WeakPolarHBondContact O-CB 3.31Å; E437-A441 PolarHBondContact O-N 2.87Å; F439-A441 VanDerWaalsContact C-N 3.27Å; F439-A441 PolarHBondContact O-N 3.18Å
442Q76.7Confident66.8Low79 Ų7989 Ų8937%0.36946%0.457SS..SBendtrans-74.2139.1179.2-72.6175.739.100111.8L153 E438 F439 I444L153-Q442 HydrophobicContact CD2-CB 4.2Å; E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.3Å; E438-Q442 PolarHBondContact O-NE2 3.41Å; F439-Q442 WeakPolarHBondContact O-CB 3.44Å; F439-Q442 PolarHBondContact O-N 2.9Å; Q442-I444 PolarHBondContact O-N 3.45Å
443T69.2Low64.5Low115 Ų11595.1 Ų95.171%0.70649%0.489SS*.  trans-66.3132.3167.452.80000110.3T445T443-T445 PolarHBondContact O-N 3.09Å
444I65.1Low62.2Low46 Ų4698.9 Ų98.924%0.23651%0.512CS..  trans-71.3106177.7-62.4164.4000109.6L151 L153 I163 Q442 I446L151-I444 WeakPolarHBondContact O-CD1 3.43Å; L153-I444 HydrophobicContact CB-CG1 4.43Å; I163-I444 HydrophobicContact CD1-CG2 3.85Å; I163-I444 HydrophobicContact CG2-CD1 3.69Å; I163-I444 HydrophobicContact CG2-CG1 4.36Å; Q442-I444 PolarHBondContact O-N 3.45Å; I444-I446 HydrophobicContact CG2-CG1 4.23Å
445T59.5Low59.9Low84 Ų84105.6 Ų105.652%0.51555%0.549SS..  trans-106.7110.516748.70000109.3K161 T443K161-T445 PolarHBondContact NZ-O 3.09Å; T443-T445 PolarHBondContact O-N 3.09Å
446I57.4Low57.5Low58 Ų58107.4 Ų107.430%0.29758%0.576SS.*  trans-88.9104.2163.7-55.7176.5000105.2M145 Y150 I163 I178 I444 P448M145-I446 HydrophobicContact CE-CD1 3.96Å; Y150-I446 HydrophobicContact CD1-CD1 3.8Å; Y150-I446 HydrophobicContact CD2-CD1 4.38Å; Y150-I446 HydrophobicContact CE1-CD1 3.56Å; Y150-I446 HydrophobicContact CE2-CD1 4.2Å; Y150-I446 HydrophobicContact CG-CD1 4.22Å; I163-I446 HydrophobicContact CD1-CG1 4.49Å; I178-I446 HydrophobicContact CD1-CD1 4.47Å; I444-I446 HydrophobicContact CG2-CG1 4.23Å; I446-P448 WeakPolarHBondContact O-CD 3.18Å; I446-P448 VanDerWaalsContact O-N 3.14Å
447T49.9Very low55.1Low82 Ų82111.7 Ų111.750%0.50360%0.596SS.*PPolyproline II helixtrans-52.2121.2175.8-45.10000108.6R220R220-T447 PolarHBondContact NH2-O 2.91Å
448P44Very low53Low99 Ų99112 Ų11264%0.64360%0.602SS**PPolyproline II helixtrans-54.8151.4175.3-22.632.4000110.3I446 E450I446-P448 WeakPolarHBondContact O-CD 3.18Å; I446-P448 VanDerWaalsContact O-N 3.14Å; P448-E450 PolarHBondContact O-N 3.34Å
449P41.7Very low50.8Low76 Ų76111.1 Ų111.149%0.49461%0.609SS.*PPolyproline II helixtrans-55.7136.8170.4-9.519.9000108.6K451P449-K451 PolarHBondContact O-N 3.32Å; P449-K451 VanDerWaalsContact O-N 3.12Å
450E39.5Very low48.6Very low162 Ų162117.8 Ų117.876%0.75764%0.643SS**PPolyproline II helixtrans-54.2123.2170.7-74-178.3171.100107.9P448 Y452P448-E450 PolarHBondContact O-N 3.34Å; E450-Y452 PolarHBondContact O-N 3.44Å
451K36.3Very low46.6Very low191 Ų191121.4 Ų121.483%0.8366%0.662SS**  trans-63.1108.8169.1-73-176.2176.8-176.30104.8P449 D453P449-K451 PolarHBondContact O-N 3.32Å; P449-K451 VanDerWaalsContact O-N 3.12Å; K451-D453 PolarHBondContact O-N 2.97Å
452Y39.4Very low44.4Very low172 Ų172125.9 Ų125.968%0.67567%0.674SS**  trans-61.8110.6159.3-72.2-90.1000104.5E450 E454E450-Y452 PolarHBondContact O-N 3.44Å; Y452-E454 PolarHBondContact O-N 2.89Å; Y452-E454 VanDerWaalsContact O-N 3.1Å
453D35.8Very low42.4Very low141 Ų141130.9 Ų130.975%0.75470%0.697SS**  trans-53.6117.8169.5-70.7-41.2000106.3K451 D455K451-D453 PolarHBondContact O-N 2.97Å; D453-D455 PolarHBondContact O-N 2.84Å
454E39Very low41.1Very low194 Ų194133.6 Ų133.691%0.90769%0.694SS**SBendtrans-66.76.8-179.2-84.4-179.4157.800112.9Y452Y452-E454 PolarHBondContact O-N 2.89Å; Y452-E454 VanDerWaalsContact O-N 3.1Å
455D37.7Very low40.1Very low161 Ų161141.5 Ų141.586%0.86172%0.721SS**SBendtrans-11178.3179.6-69.3-40000110.9D453D453-D455 PolarHBondContact O-N 2.84Å
456G34.2Very low40Very low69 Ų69142.4 Ų142.471%0.71173%0.729SS**SBendtrans151.7110.8160.300000115.2
457M32.1Very low40.2Very low175 Ų175144 Ų14486%0.86274%0.735SS**  trans87.960.7163.5-131.596.3-171.300116.4C459M457-C459 PolarHBondContact O-N 2.82Å
458D37.7Very low41.2Very low165 Ų165140.5 Ų140.588%0.88271%0.712SS**  trans-57.4111.7138.6-86.7-35.3000107.7
459C34.2Very low42.2Very low108 Ų108140.3 Ų140.373%0.7371%0.711SS**SBendtrans149.2101.5157.4-77.40000108.7M457M457-C459 PolarHBondContact O-N 2.82Å
460M33.9Very low43.6Very low188 Ų188144 Ų14493%0.92672%0.722SS**SBendtrans128.115.8157.8-63.6-148.2158.400119.3
461D37.1Very low45.1Very low100 Ų100136.2 Ų136.254%0.53569%0.686SS.*  trans-113.512.3177.4-117.5-4.6000116.1E463 R464D461-E463 PolarHBondContact O-N 3.27Å; D461-R464 IonicContact OD1-CZ 3.52Å; D461-R464 IonicContact OD1-NE 2.83Å; D461-R464 PolarHBondContact OD1-NE 3.05Å; D461-R464 IonicContact OD1-NH2 3.5Å; D461-R464 PolarHBondContact OD1-NH2 2.82Å; D461-R464 IonicContact OD2-CZ 3.39Å; D461-R464 IonicContact OD2-NE 3.32Å; D461-R464 PolarHBondContact OD2-NE 3.25Å; D461-R464 IonicContact OD2-NH2 3.35Å; D461-R464 PolarHBondContact OD2-NH2 2.62Å
462N33Very low46.9Very low179 Ų179130 Ų13096%0.95767%0.666SS**THydrogen-bonded Turntrans-74.2-0.6177.3-90-9.2000115.1
463E34.7Very low48.8Very low184 Ų184124.8 Ų124.886%0.8665%0.646SS**THydrogen-bonded Turntrans-99.84.8175.6-72.1-163.6159.800114.7D461 R465D461-E463 PolarHBondContact O-N 3.27Å; E463-R465 VanDerWaalsContact C-N 3.31Å; E463-R465 PolarHBondContact O-N 3.06Å
464R41.3Very low50.6Low171 Ų171120.5 Ų120.565%0.64563%0.627SS**  trans-72.589.1170.6-70-172-169.2-163.71109.9D461D461-R464 IonicContact OD1-CZ 3.52Å; D461-R464 IonicContact OD1-NE 2.83Å; D461-R464 PolarHBondContact OD1-NE 3.05Å; D461-R464 IonicContact OD1-NH2 3.5Å; D461-R464 PolarHBondContact OD1-NH2 2.82Å; D461-R464 IonicContact OD2-CZ 3.39Å; D461-R464 IonicContact OD2-NE 3.32Å; D461-R464 PolarHBondContact OD2-NE 3.25Å; D461-R464 IonicContact OD2-NH2 3.35Å; D461-R464 PolarHBondContact OD2-NH2 2.62Å
465R44Very low52.3Low213 Ų213112.1 Ų112.180%0.80459%0.591SS**  trans-42.4129.3165.1-71.4-179.1179-178.7-0.6108.4E463 H467E463-R465 VanDerWaalsContact C-N 3.31Å; E463-R465 PolarHBondContact O-N 3.06Å; R465-H467 PolarHBondContact O-N 3.11Å
466P56.9Low53.2Low103 Ų103108.4 Ų108.467%0.66958%0.578SS**  trans-59.7111.3177.922.4-30.7000108.2F468 P469P466-F468 PolarHBondContact O-N 3.46Å; P466-F468 VanDerWaalsContact O-N 3.12Å; P466-P469 WeakPolarHBondContact O-CD 3.3Å
467H62.3Low53.5Low92 Ų92108.4 Ų108.443%0.42658%0.577SS.*SBendtrans-64.8-16-175.8-71.5-79000113.5V190 R465V190-H467 HydrophobicContact CG1-CB 4.45Å; R465-H467 PolarHBondContact O-N 3.11Å
468F71.3Confident53.6Low7 Ų7111.7 Ų111.73%0.03158%0.58CS.*  trans-136.654.9-171.9-54.4-79000113.5K181 I184 V190 L194 Q216 L221 P466 Q470 F471K181-F468 HydrophobicContact CB-CE2 4.43Å; K181-F468 HydrophobicContact CD-CD2 4.29Å; K181-F468 HydrophobicContact CD-CE2 4.39Å; K181-F468 HydrophobicContact CG-CD2 4.33Å; K181-F468 HydrophobicContact CG-CE2 4.03Å; I184-F468 HydrophobicContact CG2-CZ 4.06Å; V190-F468 HydrophobicContact CB-CE1 4.44Å; V190-F468 HydrophobicContact CB-CZ 4.42Å; V190-F468 HydrophobicContact CG1-CD1 4.49Å; V190-F468 HydrophobicContact CG1-CE1 3.78Å; V190-F468 HydrophobicContact CG1-CZ 4.01Å; V190-F468 HydrophobicContact CG2-CZ 4.02Å; L194-F468 HydrophobicContact CD2-CD1 3.88Å; L194-F468 HydrophobicContact CG-CD1 4.24Å; Q216-F468 PolarHBondContact NE2-O 3.03Å; L221-F468 HydrophobicContact CD1-CD1 3.67Å; L221-F468 HydrophobicContact CD1-CD2 4.45Å; L221-F468 HydrophobicContact CD1-CE1 3.57Å; L221-F468 HydrophobicContact CD1-CE2 4.37Å; L221-F468 HydrophobicContact CD1-CG 4.13Å; L221-F468 HydrophobicContact CD1-CZ 3.94Å; L221-F468 HydrophobicContact CD2-CB 4.19Å; L221-F468 HydrophobicContact CD2-CD1 4.34Å; L221-F468 HydrophobicContact CD2-CD2 4.32Å; L221-F468 HydrophobicContact CD2-CG 4.03Å; P466-F468 PolarHBondContact O-N 3.46Å; P466-F468 VanDerWaalsContact O-N 3.12Å; F468-Q470 VanDerWaalsContact C-N 3.31Å; F468-Q470 PolarHBondContact O-N 2.87Å; F468-F471 HydrophobicContact CB-CB 4.35Å
469P64.9Low53.4Low95 Ų95113.9 Ų113.962%0.61759%0.585SS**THydrogen-bonded Turntrans-69.8-26.3-170.827.7-29.6000113.3P466P466-P469 WeakPolarHBondContact O-CD 3.3Å
470Q69.4Low54.3Low153 Ų153114.2 Ų114.272%0.71558%0.578SS**THydrogen-bonded Turntrans-105.120.5-173.3-63.4-179.9-7.200114.4K201 F468 S472K201-Q470 PolarHBondContact NZ-O 3.44Å; F468-Q470 VanDerWaalsContact C-N 3.31Å; F468-Q470 PolarHBondContact O-N 2.87Å; Q470-S472 PolarHBondContact O-N 3.42Å
471F71Confident55.4Low0 Ų0110.3 Ų110.30%056%0.559CS.*  trans-76.9-16.4-171.3-161.6-93.6000114.7T193 K201 S214 F215 Q216 L221 F223 F468T193-F471 HydrophobicContact CG2-CE2 4.46Å; K201-F471 PolarHBondContact NZ-O 3.41Å; S214-F471 CarbonylContact C-O 3.47Å; S214-F471 WeakPolarHBondContact CB-O 3.3Å; S214-F471 PolarHBondContact OG-O 2.77Å; F215-F471 WeakPolarHBondContact O-CD1 3.4Å; F215-F471 VanDerWaalsContact O-CE1 3.22Å; F215-F471 WeakPolarHBondContact O-CE1 3.43Å; Q216-F471 HydrophobicContact CB-CD1 4.13Å; L221-F471 HydrophobicContact CB-CD1 4.46Å; L221-F471 HydrophobicContact CB-CE1 3.82Å; L221-F471 HydrophobicContact CB-CE2 4.05Å; L221-F471 HydrophobicContact CB-CZ 3.59Å; L221-F471 HydrophobicContact CD1-CD2 4.17Å; L221-F471 HydrophobicContact CD1-CE2 3.87Å; L221-F471 HydrophobicContact CD1-CZ 4.29Å; L221-F471 HydrophobicContact CD2-CB 4.43Å; L221-F471 HydrophobicContact CD2-CD1 3.86Å; L221-F471 HydrophobicContact CD2-CD2 3.98Å; L221-F471 HydrophobicContact CD2-CE1 4.09Å; L221-F471 HydrophobicContact CD2-CE2 4.19Å; L221-F471 HydrophobicContact CD2-CG 3.81Å; L221-F471 HydrophobicContact CD2-CZ 4.25Å; L221-F471 HydrophobicContact CG-CE1 4.46Å; L221-F471 HydrophobicContact CG-CE2 4.26Å; L221-F471 HydrophobicContact CG-CZ 4.25Å; F223-F471 AromaticContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD2-CZ 4.1Å; F223-F471 HydrophobicContact CE1-CE1 4.34Å; F223-F471 AromaticContact CE1-CE2 3.61Å; F223-F471 HydrophobicContact CE1-CE2 3.61Å; F223-F471 AromaticContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE2-CE2 4.02Å; F223-F471 AromaticContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CG-CZ 4.25Å; F223-F471 AromaticContact CZ-CE2 3.32Å; F223-F471 HydrophobicContact CZ-CE2 3.32Å; F223-F471 AromaticContact CZ-CZ 3.23Å; F223-F471 HydrophobicContact CZ-CZ 3.23Å; F468-F471 HydrophobicContact CB-CB 4.35Å
472S75.1Confident56.4Low61 Ų61110.9 Ų110.943%0.42756%0.561SS.*  trans-74.5137.6-179.1-56.90000112.5K201 S214 Q470K201-S472 PolarHBondContact NZ-O 3.46Å; K201-S472 VanDerWaalsContact NZ-O 3.15Å; S214-S472 CarbonylContact O-C 3.54Å; S214-S472 VanDerWaalsContact O-CA 3.31Å; S214-S472 WeakPolarHBondContact O-CA 3.4Å; Q470-S472 PolarHBondContact O-N 3.42Å
473Y78.1Confident57.8Low61 Ų61106.9 Ų106.924%0.23954%0.538CS..EExtended strand (participates in β ladder)trans-159.2148173.6173.6-103.4000112.1K201 L211 Y213 S214 A475K201-Y473 HydrophobicContact CB-CD2 4.34Å; K201-Y473 HydrophobicContact CB-CE2 4.28Å; K201-Y473 HydrophobicContact CD-CD1 4.5Å; K201-Y473 HydrophobicContact CD-CD2 3.89Å; K201-Y473 HydrophobicContact CD-CG 3.82Å; K201-Y473 HydrophobicContact CG-CD1 3.82Å; K201-Y473 HydrophobicContact CG-CD2 3.82Å; K201-Y473 HydrophobicContact CG-CE1 4.19Å; K201-Y473 HydrophobicContact CG-CE2 4.2Å; K201-Y473 HydrophobicContact CG-CG 3.62Å; L211-Y473 HydrophobicContact CD2-CD1 3.83Å; L211-Y473 HydrophobicContact CD2-CE1 4.23Å; L211-Y473 HydrophobicContact CG-CD1 4.26Å; L211-Y473 HydrophobicContact CG-CE1 4.45Å; Y213-Y473 WeakPolarHBondContact CA-O 3.42Å; S214-Y473 PolarHBondContact N-O 2.68Å; S214-Y473 PolarHBondContact O-N 3.23Å; S214-Y473 WeakPolarHBondContact OG-CB 3.29Å; Y473-A475 HydrophobicContact CE1-CB 3.97Å
474S75Confident59.3Low51 Ų51102.1 Ų102.136%0.35752%0.517SS..EExtended strand (participates in β ladder)trans-140.8118.9171.3177.60000109S476S474-S476 PolarHBondContact O-N 2.75Å
475A74Confident60.5Low19 Ų1997.5 Ų97.516%0.15751%0.509CS..  trans-66.2117.3173.800000109.5K212 Y473 G477K212-A475 HydrophobicContact CD-CB 4.42Å; K212-A475 PolarHBondContact O-N 2.96Å; Y473-A475 HydrophobicContact CE1-CB 3.97Å; A475-G477 PolarHBondContact O-N 3.27Å
476S56.2Low61.6Low83 Ų8389.2 Ų89.258%0.5849%0.488SS*.  trans-63.7130174.148.60000109.8S474 R478S474-S476 PolarHBondContact O-N 2.75Å; S476-R478 PolarHBondContact O-N 2.62Å
477G41.7Very low62Low68 Ų6888.2 Ų88.270%0.70147%0.474SS*.  trans-67.597.9179.800000111.2A475A475-G477 PolarHBondContact O-N 3.27Å
478R33.3Very low62Low245 Ų24587.8 Ų87.893%0.92548%0.478SS*.  trans-117.383.2146-74.4-174.5178.8178.8-0.3105.1S476S476-R478 PolarHBondContact O-N 2.62Å
479E33.5Very low61.1Low211 Ų21195.2 Ų95.299%0.98652%0.518SS*.  trans-72.30158.4-81.6174.7-164.600108.5K172K172-E479 IonicContact NZ-OE1 2.63Å; K172-E479 PolarHBondContact NZ-OE1 3.47Å; K172-E479 IonicContact NZ-OE2 2.95Å; K172-E479 PolarHBondContact NZ-OE2 2.93Å

Retrieved 479 of 479 residues in 1963.2 ms (Link to these results)

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