A0A3Q0KTP3_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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
1M41.4Very low57.8Low243 Ų243123.9 Ų123.9100%1.19777%0.766SS**  091.60-73.1173.9-176.800107.7
2N40.5Very low59.4Low167 Ų167114.7 Ų114.789%0.89371%0.713SS**  trans-9898.3170.6-77.3-6.4000106.5G4N2-G4 PolarHBondContact O-N 3.02Å
3A44.4Very low61.3Low99 Ų99113.7 Ų113.782%0.81870%0.7SS**  trans-67.291.4165.600000106.9T5A3-T5 PolarHBondContact O-N 3.33Å
4G48.4Very low63.3Low66 Ų66110.2 Ų110.268%0.6868%0.675SS**  trans-62.2103.617200000108.4N2 L6N2-G4 PolarHBondContact O-N 3.02Å; G4-L6 VanDerWaalsContact C-N 3.33Å; G4-L6 PolarHBondContact O-N 3.4Å
5T50Low65.3Low140 Ų140108 Ų10886%0.85966%0.663SS**  trans-60.396.2168.540.10000108.3A3 S7A3-T5 PolarHBondContact O-N 3.33Å; T5-S7 PolarHBondContact O-N 2.94Å
6L54.1Low67.2Low167 Ų167106.1 Ų106.187%0.87465%0.647SS**PPolyproline II helixtrans-59.2119.6166.1-77.2158000107.2G4G4-L6 VanDerWaalsContact C-N 3.33Å; G4-L6 PolarHBondContact O-N 3.4Å
7S60.7Low68.8Low98 Ų98108.1 Ų108.169%0.68565%0.648SS**PPolyproline II helixtrans-54.9138.117050.80000109T5 A9T5-S7 PolarHBondContact O-N 2.94Å; S7-A9 PolarHBondContact O-N 2.96Å
8P66.5Low70.1Confident112 Ų112106.4 Ų106.473%0.72763%0.634SS**PPolyproline II helixtrans-55.3131.3178.922.1-31.4000109.2T10P8-T10 PolarHBondContact O-N 3.23Å; P8-T10 VanDerWaalsContact O-N 3.09Å
9A72.3Confident71.4Confident93 Ų93100.8 Ų100.877%0.76960%0.601SS**PPolyproline II helixtrans-53.5120.3177.200000108.9S7S7-A9 PolarHBondContact O-N 2.96Å
10T77.1Confident72.6Confident81 Ų8197.3 Ų97.350%0.49758%0.579SS.*PPolyproline II helixtrans-89159178.168.40000109.4P8 G12 D13P8-T10 PolarHBondContact O-N 3.23Å; P8-T10 VanDerWaalsContact O-N 3.09Å; T10-G12 PolarHBondContact O-N 3.03Å; T10-D13 WeakPolarHBondContact CA-OD2 2.97Å; T10-D13 PolarHBondContact N-OD2 3.13Å; T10-D13 WeakPolarHBondContact O-CB 3.09Å; T10-D13 PolarHBondContact O-N 3.36Å; T10-D13 PolarHBondContact OG1-OD2 2.89Å
11F80.2Confident73.5Confident97 Ų97100.2 Ų100.243%0.42558%0.58SS.*G310 helixtrans-53.7-29.7173.9-173.5-103.9000112.3D13 L14 L19 V22 F23 L42F11-D13 PolarHBondContact O-N 2.88Å; F11-L14 HydrophobicContact CD2-CD1 3.73Å; F11-L14 HydrophobicContact CE2-CD1 3.8Å; F11-L14 HydrophobicContact CG-CD1 4.47Å; F11-L14 PolarHBondContact O-N 3.12Å; F11-L19 HydrophobicContact CD1-CD2 3.68Å; F11-L19 HydrophobicContact CD2-CD2 4.49Å; F11-L19 HydrophobicContact CE1-CD2 3.23Å; F11-L19 HydrophobicContact CE2-CD2 4.11Å; F11-L19 HydrophobicContact CG-CD2 4.29Å; F11-L19 HydrophobicContact CZ-CD2 3.47Å; F11-L19 VanDerWaalsContact CZ-CD2 3.47Å; F11-L19 WeakPolarHBondContact O-CD2 3.04Å; F11-V22 HydrophobicContact CE2-CG1 4.48Å; F11-V22 HydrophobicContact CZ-CB 4.34Å; F11-V22 HydrophobicContact CZ-CG1 3.99Å; F11-F23 HydrophobicContact CE1-CE1 4.02Å; F11-F23 HydrophobicContact CZ-CE1 4.41Å; F11-L42 HydrophobicContact CD1-CD1 4.43Å; F11-L42 HydrophobicContact CE1-CD2 4.49Å
12G77Confident76Confident13 Ų1391.7 Ų91.713%0.13454%0.541CS..G310 helixtrans-65.6-18.4175.600000114.9T10 L14 K41T10-G12 PolarHBondContact O-N 3.03Å; G12-L14 VanDerWaalsContact C-N 3.32Å; G12-K41 WeakPolarHBondContact O-CD 2.99Å; G12-K41 PolarHBondContact O-NZ 2.89Å
13D84.2Confident78.6Confident102 Ų10283.8 Ų83.855%0.54550%0.499SS..G310 helixtrans-84.1-8.5-178.4-58.4-44.6000112.8T10 F11T10-D13 WeakPolarHBondContact CA-OD2 2.97Å; T10-D13 PolarHBondContact N-OD2 3.13Å; T10-D13 WeakPolarHBondContact O-CB 3.09Å; T10-D13 PolarHBondContact O-N 3.36Å; T10-D13 PolarHBondContact OG1-OD2 2.89Å; F11-D13 PolarHBondContact O-N 2.88Å
14L89.6Confident80.9Confident65 Ų6582.5 Ų82.534%0.3448%0.481SS..SBendtrans-65.4144.5173.5-66.4174.6000111.4F11 G12 L19 K41F11-L14 HydrophobicContact CD2-CD1 3.73Å; F11-L14 HydrophobicContact CE2-CD1 3.8Å; F11-L14 HydrophobicContact CG-CD1 4.47Å; F11-L14 PolarHBondContact O-N 3.12Å; G12-L14 VanDerWaalsContact C-N 3.32Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.94Å; L14-L19 HydrophobicContact CD1-CD2 4.21Å; L14-L19 WeakPolarHBondContact O-CD1 3.4Å; L14-K41 PolarHBondContact O-NZ 3.45Å
15P93.7Very high82.9Confident77 Ų7788.9 Ų88.950%0.549%0.486SS..  trans-51142168.5-2732.1000112.6E17 L18 L19P15-E17 PolarHBondContact O-N 2.71Å; P15-E17 VanDerWaalsContact O-N 3.17Å; P15-L18 HydrophobicContact CB-CG 4.42Å; P15-L18 HydrophobicContact CG-CD1 4.24Å; P15-L18 PolarHBondContact O-N 2.94Å; P15-L19 PolarHBondContact O-N 3.33Å
16D94.9Very high84.9Confident77 Ų7784.9 Ų84.941%0.41246%0.459SS..Hα-helixtrans-54.9-37.8-177.8-71.49.1000112.4L18 L19 L20 K41 L45D16-L18 PolarHBondContact O-N 3.04Å; D16-L19 PolarHBondContact O-N 3.39Å; D16-L20 WeakPolarHBondContact O-CB 3.49Å; D16-L20 VanDerWaalsContact O-CG 3.29Å; D16-L20 WeakPolarHBondContact O-CG 3.38Å; D16-L20 PolarHBondContact O-N 3.46Å; D16-K41 WeakPolarHBondContact OD1-CE 3.45Å; D16-K41 IonicContact OD1-NZ 3.52Å; D16-K41 PolarHBondContact OD1-NZ 2.9Å; D16-L45 HydrophobicContact CB-CD1 4.28Å; D16-L45 HydrophobicContact CB-CD2 3.83Å
17E94Very high86.7Confident141 Ų14179.5 Ų79.566%0.65943%0.434SS*.Hα-helixtrans-62.2-40.3176.4-63.7-177.5-177.800112.6P15 R21P15-E17 PolarHBondContact O-N 2.71Å; P15-E17 VanDerWaalsContact O-N 3.17Å; E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.4Å; E17-R21 PolarHBondContact O-N 3.15Å
18L93.6Very high88.1Confident77 Ų7775.5 Ų75.540%0.40341%0.405SS..Hα-helixtrans-70.1-40.8176.8-67.9-174.6000110.8P15 D16 L20 R21 V22P15-L18 HydrophobicContact CB-CG 4.42Å; P15-L18 HydrophobicContact CG-CD1 4.24Å; P15-L18 PolarHBondContact O-N 2.94Å; D16-L18 PolarHBondContact O-N 3.04Å; L18-L20 PolarHBondContact O-N 2.74Å; L18-R21 WeakPolarHBondContact O-CB 3.42Å; L18-R21 PolarHBondContact O-N 2.79Å; L18-V22 WeakPolarHBondContact O-CG2 3.5Å; L18-V22 PolarHBondContact O-N 3.14Å
19L94.2Very high89.2Confident0 Ų071.7 Ų71.70%038%0.378CS..Hα-helixtrans-60.5-44.8174.7-71.4172.6000111.9F11 L14 P15 D16 R21 V22 F23 K41 L42 L45F11-L19 HydrophobicContact CD1-CD2 3.68Å; F11-L19 HydrophobicContact CD2-CD2 4.49Å; F11-L19 HydrophobicContact CE1-CD2 3.23Å; F11-L19 HydrophobicContact CE2-CD2 4.11Å; F11-L19 HydrophobicContact CG-CD2 4.29Å; F11-L19 HydrophobicContact CZ-CD2 3.47Å; F11-L19 VanDerWaalsContact CZ-CD2 3.47Å; F11-L19 WeakPolarHBondContact O-CD2 3.04Å; L14-L19 HydrophobicContact CB-CD2 4.05Å; L14-L19 HydrophobicContact CB-CG 3.94Å; L14-L19 HydrophobicContact CD1-CD2 4.21Å; L14-L19 WeakPolarHBondContact O-CD1 3.4Å; P15-L19 PolarHBondContact O-N 3.33Å; D16-L19 PolarHBondContact O-N 3.39Å; L19-R21 VanDerWaalsContact C-N 3.34Å; L19-R21 PolarHBondContact O-N 2.94Å; L19-V22 PolarHBondContact O-N 3.49Å; L19-F23 VanDerWaalsContact O-CD1 3.31Å; L19-F23 WeakPolarHBondContact O-CD1 3.31Å; L19-F23 WeakPolarHBondContact O-CG 3.44Å; L19-F23 PolarHBondContact O-N 3.47Å; L19-K41 HydrophobicContact CD1-CD 4.42Å; L19-L42 HydrophobicContact CD1-CD2 3.87Å; L19-L42 HydrophobicContact CD2-CD2 4.1Å; L19-L45 HydrophobicContact CB-CD1 3.94Å; L19-L45 HydrophobicContact CD1-CD1 3.52Å; L19-L45 HydrophobicContact CG-CD1 4.38Å
20L94.5Very high90.1Very high31 Ų3170 Ų7016%0.16236%0.355CS..Hα-helixtrans-63.9-38.8176.5-72.3173000112D16 L18 V22 F23 V24 L45 L51D16-L20 WeakPolarHBondContact O-CB 3.49Å; D16-L20 VanDerWaalsContact O-CG 3.29Å; D16-L20 WeakPolarHBondContact O-CG 3.38Å; D16-L20 PolarHBondContact O-N 3.46Å; L18-L20 PolarHBondContact O-N 2.74Å; L20-V22 VanDerWaalsContact C-N 3.3Å; L20-V22 PolarHBondContact O-N 3.33Å; L20-F23 PolarHBondContact O-N 2.91Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 3.03Å; L20-V24 VanDerWaalsContact O-N 3.11Å; L20-L45 HydrophobicContact CD1-CD2 4.4Å; L20-L45 HydrophobicContact CD2-CB 4.29Å; L20-L45 HydrophobicContact CD2-CD2 4.36Å; L20-L45 WeakPolarHBondContact CD2-O 3.26Å; L20-L45 HydrophobicContact CG-CD2 4.26Å; L20-L51 HydrophobicContact CD2-CD1 3.96Å; L20-L51 HydrophobicContact CD2-CD2 4.42Å; L20-L51 HydrophobicContact CD2-CG 4.18Å
21R93.1Very high90.9Very high159 Ų15966.3 Ų66.360%0.633%0.333SS*.Hα-helixtrans-61.3-38.2173.3-75.7176.4-173.6-169.95112E17 L18 L19 Y25E17-R21 VanDerWaalsContact O-CG 3.29Å; E17-R21 WeakPolarHBondContact O-CG 3.4Å; E17-R21 PolarHBondContact O-N 3.15Å; L18-R21 WeakPolarHBondContact O-CB 3.42Å; L18-R21 PolarHBondContact O-N 2.79Å; L19-R21 VanDerWaalsContact C-N 3.34Å; L19-R21 PolarHBondContact O-N 2.94Å; R21-Y25 WeakPolarHBondContact O-CD2 3.3Å; R21-Y25 VanDerWaalsContact O-CE2 3.24Å; R21-Y25 WeakPolarHBondContact O-CE2 3.44Å
22V93.3Very high91.3Very high63 Ų6363.7 Ų63.738%0.38232%0.323SS..Hα-helixtrans-67.8-44.6173.4176.10000110.9F11 L18 L19 L20 V24 Y25F11-V22 HydrophobicContact CE2-CG1 4.48Å; F11-V22 HydrophobicContact CZ-CB 4.34Å; F11-V22 HydrophobicContact CZ-CG1 3.99Å; L18-V22 WeakPolarHBondContact O-CG2 3.5Å; L18-V22 PolarHBondContact O-N 3.14Å; L19-V22 PolarHBondContact O-N 3.49Å; L20-V22 VanDerWaalsContact C-N 3.3Å; L20-V22 PolarHBondContact O-N 3.33Å; V22-V24 VanDerWaalsContact C-N 3.27Å; V22-V24 PolarHBondContact O-N 3.19Å; V22-Y25 PolarHBondContact O-N 3.31Å; V22-Y25 VanDerWaalsContact O-N 3.13Å
23F94.6Very high91.8Very high1 Ų168.8 Ų68.80%0.00434%0.341CS..Hα-helixtrans-64-27.3-176.3-70.6-2.8000114.3F11 L19 L20 Y25 L26 L31 I35 L42 L45 L51F11-F23 HydrophobicContact CE1-CE1 4.02Å; F11-F23 HydrophobicContact CZ-CE1 4.41Å; L19-F23 VanDerWaalsContact O-CD1 3.31Å; L19-F23 WeakPolarHBondContact O-CD1 3.31Å; L19-F23 WeakPolarHBondContact O-CG 3.44Å; L19-F23 PolarHBondContact O-N 3.47Å; L20-F23 PolarHBondContact O-N 2.91Å; F23-Y25 PolarHBondContact O-N 2.93Å; F23-L26 HydrophobicContact CD1-CD1 3.9Å; F23-L26 HydrophobicContact CE1-CD1 4.48Å; F23-L26 PolarHBondContact O-N 3.5Å; F23-L26 VanDerWaalsContact O-N 3.09Å; F23-L31 HydrophobicContact CB-CD2 3.8Å; F23-L31 HydrophobicContact CD1-CD2 4.43Å; F23-L31 HydrophobicContact CD2-CD2 4.36Å; F23-L31 HydrophobicContact CG-CD2 3.97Å; F23-I35 HydrophobicContact CD1-CG2 4.41Å; F23-I35 HydrophobicContact CD2-CG2 4.4Å; F23-I35 HydrophobicContact CE1-CD1 4.29Å; F23-I35 HydrophobicContact CE1-CG1 4.39Å; F23-I35 HydrophobicContact CE1-CG2 3.65Å; F23-I35 HydrophobicContact CE2-CG2 3.64Å; F23-I35 HydrophobicContact CZ-CG2 3.21Å; F23-L42 HydrophobicContact CE2-CD2 4.42Å; F23-L42 HydrophobicContact CZ-CB 4.28Å; F23-L42 HydrophobicContact CZ-CD2 3.67Å; F23-L42 HydrophobicContact CZ-CG 4.41Å; F23-L45 HydrophobicContact CD2-CB 4.32Å; F23-L45 HydrophobicContact CE2-CB 3.76Å; F23-L51 HydrophobicContact CB-CD1 3.93Å; F23-L51 HydrophobicContact CB-CD2 3.81Å; F23-L51 HydrophobicContact CD2-CD1 4.04Å
24V93Very high92.2Very high72 Ų7267.3 Ų67.344%0.43634%0.338SS..THydrogen-bonded Turntrans-58.6-28.7174.8165.70000112.6L20 V22 Y50 L51L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 3.03Å; L20-V24 VanDerWaalsContact O-N 3.11Å; V22-V24 VanDerWaalsContact C-N 3.27Å; V22-V24 PolarHBondContact O-N 3.19Å; V24-Y50 HydrophobicContact CG2-CD1 4.12Å; V24-Y50 HydrophobicContact CG2-CE1 3.42Å; V24-Y50 VanDerWaalsContact CG2-CE1 3.42Å; V24-L51 HydrophobicContact CG2-CD2 3.76Å
25Y91.5Very high92.3Very high200 Ų20065.5 Ų65.578%0.78433%0.328SS*.THydrogen-bonded Turntrans-87.4-6.1179.8-61.4-76.7000113.6R21 V22 F23R21-Y25 WeakPolarHBondContact O-CD2 3.3Å; R21-Y25 VanDerWaalsContact O-CE2 3.24Å; R21-Y25 WeakPolarHBondContact O-CE2 3.44Å; V22-Y25 PolarHBondContact O-N 3.31Å; V22-Y25 VanDerWaalsContact O-N 3.13Å; F23-Y25 PolarHBondContact O-N 2.93Å
26L91.6Very high92.3Very high57 Ų5762.8 Ų62.830%0.29831%0.312SS..SBendtrans-87.8140.1179.2-62.9178.1000110.8F23 Q28 L31 I35F23-L26 HydrophobicContact CD1-CD1 3.9Å; F23-L26 HydrophobicContact CE1-CD1 4.48Å; F23-L26 PolarHBondContact O-N 3.5Å; F23-L26 VanDerWaalsContact O-N 3.09Å; L26-Q28 PolarHBondContact O-N 3.16Å; L26-L31 HydrophobicContact CB-CD2 3.96Å; L26-L31 HydrophobicContact CB-CG 4.27Å; L26-L31 HydrophobicContact CD1-CD2 3.96Å; L26-I35 HydrophobicContact CD1-CD1 3.77Å; L26-I35 HydrophobicContact CD1-CG1 3.63Å
27P90.9Very high92.1Very high54 Ų5468.5 Ų68.535%0.35133%0.327SS..  trans-54.5142167.3-23.633.3000111.3I29 D30 L31 Y60P27-I29 HydrophobicContact CB-CG2 4.27Å; P27-I29 PolarHBondContact O-N 3.09Å; P27-I29 VanDerWaalsContact O-N 3.16Å; P27-D30 WeakPolarHBondContact CD-OD2 3.3Å; P27-D30 WeakPolarHBondContact O-CB 3.42Å; P27-D30 PolarHBondContact O-N 2.87Å; P27-L31 PolarHBondContact O-N 3.23Å; P27-Y60 HydrophobicContact CB-CE2 4.49Å; P27-Y60 WeakPolarHBondContact CB-OH 3.28Å
28Q91.2Very high92Very high14 Ų1466.2 Ų66.27%0.06532%0.323CS..Hα-helixtrans-63.3-27.2-176.7-76.3177.3-3200113.5L26 D30 L31 I32 L51 W52 H54 L55 F57L26-Q28 PolarHBondContact O-N 3.16Å; Q28-D30 VanDerWaalsContact C-N 3.25Å; Q28-D30 PolarHBondContact O-N 2.84Å; Q28-L31 HydrophobicContact CG-CD1 4.41Å; Q28-L31 PolarHBondContact O-N 3.41Å; Q28-I32 WeakPolarHBondContact O-CD1 3.5Å; Q28-I32 WeakPolarHBondContact O-CG1 3.47Å; Q28-I32 PolarHBondContact O-N 3.44Å; Q28-I32 VanDerWaalsContact O-N 3.15Å; Q28-L51 PolarHBondContact NE2-O 3.43Å; Q28-W52 HydrophobicContact CB-CH2 3.94Å; Q28-W52 HydrophobicContact CB-CZ3 3.85Å; Q28-W52 HydrophobicContact CG-CE3 4.42Å; Q28-W52 HydrophobicContact CG-CH2 4.2Å; Q28-W52 HydrophobicContact CG-CZ3 3.92Å; Q28-H54 PolarHBondContact NE2-O 3.11Å; Q28-L55 VanDerWaalsContact OE1-CA 3.28Å; Q28-F57 HydrophobicContact CB-CD1 4.42Å; Q28-F57 HydrophobicContact CB-CE1 3.88Å
29I88.5Confident91.9Very high32 Ų3265.7 Ų65.716%0.16432%0.321CS..Hα-helixtrans-63.7-34.7173.2-158.760.7000111.6P27 I32 K33 Y60P27-I29 HydrophobicContact CB-CG2 4.27Å; P27-I29 PolarHBondContact O-N 3.09Å; P27-I29 VanDerWaalsContact O-N 3.16Å; I29-I32 PolarHBondContact O-N 3.41Å; I29-K33 HydrophobicContact CD1-CD 4.15Å; I29-K33 HydrophobicContact CD1-CG 4.33Å; I29-K33 HydrophobicContact CG1-CD 3.85Å; I29-K33 HydrophobicContact CG1-CG 4.26Å; I29-K33 VanDerWaalsContact O-CB 3.31Å; I29-K33 WeakPolarHBondContact O-CB 3.47Å; I29-K33 WeakPolarHBondContact O-CG 3.44Å; I29-K33 PolarHBondContact O-N 3.42Å; I29-Y60 HydrophobicContact CB-CE1 4.1Å; I29-Y60 HydrophobicContact CB-CE2 4.46Å; I29-Y60 HydrophobicContact CG1-CE1 4.47Å; I29-Y60 HydrophobicContact CG2-CD1 4.26Å; I29-Y60 HydrophobicContact CG2-CE1 3.41Å; I29-Y60 VanDerWaalsContact CG2-CE1 3.41Å; I29-Y60 HydrophobicContact CG2-CE2 4.12Å; I29-Y60 VanDerWaalsContact CG2-OH 3.23Å; I29-Y60 WeakPolarHBondContact CG2-OH 3.37Å
30D91.4Very high91.8Very high56 Ų5674.8 Ų74.830%0.29936%0.36SS..Hα-helixtrans-77-34.9-179.1-68-22.4000110.6P27 Q28 I32 C34 I35P27-D30 WeakPolarHBondContact CD-OD2 3.3Å; P27-D30 WeakPolarHBondContact O-CB 3.42Å; P27-D30 PolarHBondContact O-N 2.87Å; Q28-D30 VanDerWaalsContact C-N 3.25Å; Q28-D30 PolarHBondContact O-N 2.84Å; D30-I32 PolarHBondContact O-N 3.45Å; D30-C34 WeakPolarHBondContact O-CA 3.44Å; D30-C34 VanDerWaalsContact O-CB 3.28Å; D30-C34 WeakPolarHBondContact O-CB 3.09Å; D30-C34 PolarHBondContact O-N 2.86Å; D30-I35 PolarHBondContact O-N 2.9Å
31L93.3Very high91.8Very high4 Ų476.7 Ų76.72%0.02137%0.367CS..Hα-helixtrans-55.9-44.2169-63.4179.1000110.8F23 L26 P27 Q28 I35 S36 L51 W52F23-L31 HydrophobicContact CB-CD2 3.8Å; F23-L31 HydrophobicContact CD1-CD2 4.43Å; F23-L31 HydrophobicContact CD2-CD2 4.36Å; F23-L31 HydrophobicContact CG-CD2 3.97Å; L26-L31 HydrophobicContact CB-CD2 3.96Å; L26-L31 HydrophobicContact CB-CG 4.27Å; L26-L31 HydrophobicContact CD1-CD2 3.96Å; P27-L31 PolarHBondContact O-N 3.23Å; Q28-L31 HydrophobicContact CG-CD1 4.41Å; Q28-L31 PolarHBondContact O-N 3.41Å; L31-I35 HydrophobicContact CD2-CG1 4.2Å; L31-S36 WeakPolarHBondContact O-CB 3.46Å; L31-S36 PolarHBondContact O-N 3.18Å; L31-L51 HydrophobicContact CD1-CB 4.26Å; L31-L51 HydrophobicContact CD1-CD1 4.19Å; L31-W52 HydrophobicContact CB-CZ2 4.3Å; L31-W52 HydrophobicContact CD1-CZ2 4.46Å
32I89.7Confident91.8Very high43 Ų4369.3 Ų69.322%0.22134%0.34CS..Hα-helixtrans-73.2-52.5179.4-64.5161.6000111.7Q28 I29 D30 S36 W52 F70 L75Q28-I32 WeakPolarHBondContact O-CD1 3.5Å; Q28-I32 WeakPolarHBondContact O-CG1 3.47Å; Q28-I32 PolarHBondContact O-N 3.44Å; Q28-I32 VanDerWaalsContact O-N 3.15Å; I29-I32 PolarHBondContact O-N 3.41Å; D30-I32 PolarHBondContact O-N 3.45Å; I32-S36 PolarHBondContact O-OG 3.12Å; I32-W52 HydrophobicContact CD1-CH2 3.65Å; I32-W52 HydrophobicContact CD1-CZ3 4.26Å; I32-W52 HydrophobicContact CG1-CH2 3.63Å; I32-W52 HydrophobicContact CG1-CZ2 4.14Å; I32-F70 HydrophobicContact CD1-CD2 4.18Å; I32-F70 HydrophobicContact CD1-CE2 3.97Å; I32-L75 HydrophobicContact CD1-CD1 4.1Å; I32-L75 HydrophobicContact CG1-CD1 3.97Å
33K88Confident91.8Very high120 Ų12070.2 Ų70.252%0.52234%0.339SS..Hα-helixtrans-84.6-35.5-168.1-71-173.9-179.5167.90113.4I29 R37I29-K33 HydrophobicContact CD1-CD 4.15Å; I29-K33 HydrophobicContact CD1-CG 4.33Å; I29-K33 HydrophobicContact CG1-CD 3.85Å; I29-K33 HydrophobicContact CG1-CG 4.26Å; I29-K33 VanDerWaalsContact O-CB 3.31Å; I29-K33 WeakPolarHBondContact O-CB 3.47Å; I29-K33 WeakPolarHBondContact O-CG 3.44Å; I29-K33 PolarHBondContact O-N 3.42Å; K33-R37 VanDerWaalsContact O-CD 3.23Å; K33-R37 WeakPolarHBondContact O-CD 3.3Å
34C91.7Very high91.8Very high70 Ų7075 Ų7547%0.47337%0.368SS..THydrogen-bonded Turntrans-105-62.3-170.3-56.30000110.1D30 R37 V38D30-C34 WeakPolarHBondContact O-CA 3.44Å; D30-C34 VanDerWaalsContact O-CB 3.28Å; D30-C34 WeakPolarHBondContact O-CB 3.09Å; D30-C34 PolarHBondContact O-N 2.86Å; C34-R37 PolarHBondContact O-N 3.43Å; C34-V38 WeakPolarHBondContact O-CG2 3.2Å
35I92.5Very high91.9Very high27 Ų2772.2 Ų72.214%0.13835%0.351CS..G310 helixtrans-66.6-45.6-171.3-58.6-55.4000112.1F23 L26 D30 L31 R37 V38 L42F23-I35 HydrophobicContact CD1-CG2 4.41Å; F23-I35 HydrophobicContact CD2-CG2 4.4Å; F23-I35 HydrophobicContact CE1-CD1 4.29Å; F23-I35 HydrophobicContact CE1-CG1 4.39Å; F23-I35 HydrophobicContact CE1-CG2 3.65Å; F23-I35 HydrophobicContact CE2-CG2 3.64Å; F23-I35 HydrophobicContact CZ-CG2 3.21Å; L26-I35 HydrophobicContact CD1-CD1 3.77Å; L26-I35 HydrophobicContact CD1-CG1 3.63Å; D30-I35 PolarHBondContact O-N 2.9Å; L31-I35 HydrophobicContact CD2-CG1 4.2Å; I35-R37 PolarHBondContact O-N 2.97Å; I35-V38 PolarHBondContact O-N 3.19Å; I35-V38 VanDerWaalsContact O-N 3.16Å; I35-L42 HydrophobicContact CG2-CB 3.98Å
36S92.1Very high92Very high21 Ų2162.8 Ų62.815%0.14731%0.314CS..G310 helixtrans-64.4-10.5-175.884.80000114.3L31 I32 H43 S46L31-S36 WeakPolarHBondContact O-CB 3.46Å; L31-S36 PolarHBondContact O-N 3.18Å; I32-S36 PolarHBondContact O-OG 3.12Å; S36-H43 WeakPolarHBondContact O-CB 3.42Å; S36-H43 PolarHBondContact O-ND1 3.08Å; S36-S46 WeakPolarHBondContact CB-OG 3.48Å
37R92.1Very high92.1Very high196 Ų19663.9 Ų63.974%0.7431%0.314SS*.G310 helixtrans-104.8-7.2-177.6-59.1-170.5-179.5178.5-5.2114.1K33 C34 I35K33-R37 VanDerWaalsContact O-CD 3.23Å; K33-R37 WeakPolarHBondContact O-CD 3.3Å; C34-R37 PolarHBondContact O-N 3.43Å; I35-R37 PolarHBondContact O-N 2.97Å
38V91.8Very high92.2Very high94 Ų9462.9 Ų62.957%0.5731%0.309SS*.THydrogen-bonded Turntrans-71.9-54.4-176.4178.80000111.5C34 I35 L42C34-V38 WeakPolarHBondContact O-CG2 3.2Å; I35-V38 PolarHBondContact O-N 3.19Å; I35-V38 VanDerWaalsContact O-N 3.16Å; V38-L42 HydrophobicContact CB-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CD1 3.76Å; V38-L42 HydrophobicContact CG2-CD1 4.45Å
39N91.2Very high92.2Very high66 Ų6665.5 Ų65.535%0.35333%0.328SS..  trans-157.7172.9175.86848000111.2K41 L42 H43N39-K41 PolarHBondContact O-N 3.36Å; N39-K41 WeakPolarHBondContact OD1-CA 3.4Å; N39-K41 WeakPolarHBondContact OD1-CB 3.32Å; N39-K41 PolarHBondContact OD1-N 2.69Å; N39-L42 PolarHBondContact O-N 3.1Å; N39-L42 WeakPolarHBondContact OD1-CG 3.13Å; N39-L42 PolarHBondContact OD1-N 3.3Å; N39-H43 WeakPolarHBondContact O-CB 3.31Å; N39-H43 PolarHBondContact O-N 3.43Å
40K92.9Very high92.3Very high190 Ų19069.7 Ų69.783%0.82634%0.343SS*.Hα-helixtrans-60.6-38.4-177.9-68.4-177.5179.9177.80113.6H43 V44K40-H43 WeakPolarHBondContact O-CB 3.4Å; K40-H43 PolarHBondContact O-N 2.94Å; K40-V44 WeakPolarHBondContact O-CG2 3.31Å; K40-V44 PolarHBondContact O-N 2.8Å; K40-V44 VanDerWaalsContact O-N 3.07Å
41K93.7Very high92.4Very high71 Ų7167.7 Ų67.731%0.30933%0.332SS..Hα-helixtrans-64.2-51.3179.6-179.9-179.1178.3-177.70110.4G12 L14 D16 L19 N39 H43 V44 L45G12-K41 WeakPolarHBondContact O-CD 2.99Å; G12-K41 PolarHBondContact O-NZ 2.89Å; L14-K41 PolarHBondContact O-NZ 3.45Å; D16-K41 WeakPolarHBondContact OD1-CE 3.45Å; D16-K41 IonicContact OD1-NZ 3.52Å; D16-K41 PolarHBondContact OD1-NZ 2.9Å; L19-K41 HydrophobicContact CD1-CD 4.42Å; N39-K41 PolarHBondContact O-N 3.36Å; N39-K41 WeakPolarHBondContact OD1-CA 3.4Å; N39-K41 WeakPolarHBondContact OD1-CB 3.32Å; N39-K41 PolarHBondContact OD1-N 2.69Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.18Å; K41-V44 PolarHBondContact O-N 2.67Å; K41-V44 VanDerWaalsContact O-N 3.15Å; K41-L45 HydrophobicContact CG-CD1 3.93Å; K41-L45 WeakPolarHBondContact O-CG 3.12Å; K41-L45 PolarHBondContact O-N 2.86Å
42L93.4Very high92.5Very high5 Ų567.6 Ų67.63%0.02633%0.331CS..Hα-helixtrans-67.7-30.1178.8-54.8179.3000111.9F11 L19 F23 I35 V38 N39 L45 S46F11-L42 HydrophobicContact CD1-CD1 4.43Å; F11-L42 HydrophobicContact CE1-CD2 4.49Å; L19-L42 HydrophobicContact CD1-CD2 3.87Å; L19-L42 HydrophobicContact CD2-CD2 4.1Å; F23-L42 HydrophobicContact CE2-CD2 4.42Å; F23-L42 HydrophobicContact CZ-CB 4.28Å; F23-L42 HydrophobicContact CZ-CD2 3.67Å; F23-L42 HydrophobicContact CZ-CG 4.41Å; I35-L42 HydrophobicContact CG2-CB 3.98Å; V38-L42 HydrophobicContact CB-CD1 3.83Å; V38-L42 HydrophobicContact CG1-CD1 3.76Å; V38-L42 HydrophobicContact CG2-CD1 4.45Å; N39-L42 PolarHBondContact O-N 3.1Å; N39-L42 WeakPolarHBondContact OD1-CG 3.13Å; N39-L42 PolarHBondContact OD1-N 3.3Å; L42-L45 PolarHBondContact O-N 3.31Å; L42-S46 VanDerWaalsContact O-CB 3.23Å; L42-S46 WeakPolarHBondContact O-CB 3.38Å; L42-S46 PolarHBondContact O-N 3.2Å; L42-S46 PolarHBondContact O-OG 3.49Å
43H93.6Very high92.6Very high82 Ų8270 Ų7038%0.3834%0.34SS..Hα-helixtrans-58.8-47169.1-175.784.6000112.4S36 N39 K40 K41 S46 R47S36-H43 WeakPolarHBondContact O-CB 3.42Å; S36-H43 PolarHBondContact O-ND1 3.08Å; N39-H43 WeakPolarHBondContact O-CB 3.31Å; N39-H43 PolarHBondContact O-N 3.43Å; K40-H43 WeakPolarHBondContact O-CB 3.4Å; K40-H43 PolarHBondContact O-N 2.94Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.18Å; H43-S46 PolarHBondContact O-OG 3.37Å; H43-S46 VanDerWaalsContact O-OG 3.1Å; H43-R47 WeakPolarHBondContact NE2-CD 3.37Å; H43-R47 WeakPolarHBondContact O-CD 3.29Å; H43-R47 WeakPolarHBondContact O-CG 3.32Å
44V94.2Very high92.9Very high100 Ų10070.1 Ų70.161%0.60634%0.343SS*.Hα-helixtrans-67.4-47.5177.6173.10000110.7K40 K41 R47 S48K40-V44 WeakPolarHBondContact O-CG2 3.31Å; K40-V44 PolarHBondContact O-N 2.8Å; K40-V44 VanDerWaalsContact O-N 3.07Å; K41-V44 PolarHBondContact O-N 2.67Å; K41-V44 VanDerWaalsContact O-N 3.15Å; V44-R47 PolarHBondContact O-N 3.4Å; V44-R47 VanDerWaalsContact O-N 3.13Å; V44-S48 PolarHBondContact O-N 2.79Å
45L94.5Very high93Very high14 Ų1466.8 Ų66.87%0.07332%0.32CS..Hα-helixtrans-66.2-41.2-175.3-68.9175.6000113.2D16 L19 L20 F23 K41 L42 R47 S48 L51D16-L45 HydrophobicContact CB-CD1 4.28Å; D16-L45 HydrophobicContact CB-CD2 3.83Å; L19-L45 HydrophobicContact CB-CD1 3.94Å; L19-L45 HydrophobicContact CD1-CD1 3.52Å; L19-L45 HydrophobicContact CG-CD1 4.38Å; L20-L45 HydrophobicContact CD1-CD2 4.4Å; L20-L45 HydrophobicContact CD2-CB 4.29Å; L20-L45 HydrophobicContact CD2-CD2 4.36Å; L20-L45 WeakPolarHBondContact CD2-O 3.26Å; L20-L45 HydrophobicContact CG-CD2 4.26Å; F23-L45 HydrophobicContact CD2-CB 4.32Å; F23-L45 HydrophobicContact CE2-CB 3.76Å; K41-L45 HydrophobicContact CG-CD1 3.93Å; K41-L45 WeakPolarHBondContact O-CG 3.12Å; K41-L45 PolarHBondContact O-N 2.86Å; L42-L45 PolarHBondContact O-N 3.31Å; L45-R47 PolarHBondContact O-N 2.87Å; L45-S48 WeakPolarHBondContact O-CB 3.23Å; L45-S48 PolarHBondContact O-N 3.1Å; L45-L51 VanDerWaalsContact O-CD1 3.25Å; L45-L51 WeakPolarHBondContact O-CD1 3.35Å
46S94.2Very high93.1Very high2 Ų268 Ų681%0.01433%0.327CS..THydrogen-bonded Turntrans-61.8-15.3175.856.80000113.6S36 L42 H43 W52S36-S46 WeakPolarHBondContact CB-OG 3.48Å; L42-S46 VanDerWaalsContact O-CB 3.23Å; L42-S46 WeakPolarHBondContact O-CB 3.38Å; L42-S46 PolarHBondContact O-N 3.2Å; L42-S46 PolarHBondContact O-OG 3.49Å; H43-S46 PolarHBondContact O-OG 3.37Å; H43-S46 VanDerWaalsContact O-OG 3.1Å; S46-W52 PolarHBondContact O-NE1 2.94Å
47R93.5Very high93.1Very high81 Ų8167.6 Ų67.631%0.30632%0.322SS..THydrogen-bonded Turntrans-104.15.1179.5-58.2175.560.882.16112.6H43 V44 L45 S49 Q73 L75H43-R47 WeakPolarHBondContact NE2-CD 3.37Å; H43-R47 WeakPolarHBondContact O-CD 3.29Å; H43-R47 WeakPolarHBondContact O-CG 3.32Å; V44-R47 PolarHBondContact O-N 3.4Å; V44-R47 VanDerWaalsContact O-N 3.13Å; L45-R47 PolarHBondContact O-N 2.87Å; R47-S49 PolarHBondContact O-N 3.41Å; R47-Q73 PolarHBondContact NH2-O 3.4Å; R47-L75 HydrophobicContact CB-CD2 3.95Å; R47-L75 HydrophobicContact CG-CD2 3.71Å
48S93.1Very high93Very high33 Ų3362.9 Ų62.923%0.23130%0.304CS..  trans-58.3131.4175.2177.10000110.8V44 L45 Y50 L51V44-S48 PolarHBondContact O-N 2.79Å; L45-S48 WeakPolarHBondContact O-CB 3.23Å; L45-S48 PolarHBondContact O-N 3.1Å; S48-Y50 PolarHBondContact O-N 3.17Å; S48-L51 PolarHBondContact O-N 3.02Å
49S91.4Very high92.8Very high68 Ų6865.3 Ų65.348%0.47631%0.314SS..G310 helixtrans-55.1-26.1-178.960.80000113.4R47 L51 W52 K53R47-S49 PolarHBondContact O-N 3.41Å; S49-L51 VanDerWaalsContact C-N 3.28Å; S49-L51 PolarHBondContact O-N 3.46Å; S49-W52 PolarHBondContact O-N 3.09Å; S49-K53 PolarHBondContact O-N 2.95Å
50Y90.6Very high92.6Very high120 Ų12065.8 Ų65.847%0.47131%0.312SS..G310 helixtrans-57.8-36.9174.6179.3-108.5000113.2V24 S48 W52V24-Y50 HydrophobicContact CG2-CD1 4.12Å; V24-Y50 HydrophobicContact CG2-CE1 3.42Å; V24-Y50 VanDerWaalsContact CG2-CE1 3.42Å; S48-Y50 PolarHBondContact O-N 3.17Å; Y50-W52 VanDerWaalsContact C-N 3.31Å; Y50-W52 PolarHBondContact O-N 3.42Å
51L93.3Very high92.2Very high14 Ų1463.4 Ų63.47%0.07330%0.304CS..G310 helixtrans-79-15-178.7-58.5173.7000113.4L20 F23 V24 Q28 L31 L45 S48 S49L20-L51 HydrophobicContact CD2-CD1 3.96Å; L20-L51 HydrophobicContact CD2-CD2 4.42Å; L20-L51 HydrophobicContact CD2-CG 4.18Å; F23-L51 HydrophobicContact CB-CD1 3.93Å; F23-L51 HydrophobicContact CB-CD2 3.81Å; F23-L51 HydrophobicContact CD2-CD1 4.04Å; V24-L51 HydrophobicContact CG2-CD2 3.76Å; Q28-L51 PolarHBondContact NE2-O 3.43Å; L31-L51 HydrophobicContact CD1-CB 4.26Å; L31-L51 HydrophobicContact CD1-CD1 4.19Å; L45-L51 VanDerWaalsContact O-CD1 3.25Å; L45-L51 WeakPolarHBondContact O-CD1 3.35Å; S48-L51 PolarHBondContact O-N 3.02Å; S49-L51 VanDerWaalsContact C-N 3.28Å; S49-L51 PolarHBondContact O-N 3.46Å
52W94.3Very high92.1Very high2 Ų260.7 Ų60.71%0.00829%0.293CS..G310 helixtrans-11416.9-172.3-58.298.6000112.8Q28 L31 I32 S46 S49 Y50 H54 L55 F70 L75 V76 T80Q28-W52 HydrophobicContact CB-CH2 3.94Å; Q28-W52 HydrophobicContact CB-CZ3 3.85Å; Q28-W52 HydrophobicContact CG-CE3 4.42Å; Q28-W52 HydrophobicContact CG-CH2 4.2Å; Q28-W52 HydrophobicContact CG-CZ3 3.92Å; L31-W52 HydrophobicContact CB-CZ2 4.3Å; L31-W52 HydrophobicContact CD1-CZ2 4.46Å; I32-W52 HydrophobicContact CD1-CH2 3.65Å; I32-W52 HydrophobicContact CD1-CZ3 4.26Å; I32-W52 HydrophobicContact CG1-CH2 3.63Å; I32-W52 HydrophobicContact CG1-CZ2 4.14Å; S46-W52 PolarHBondContact O-NE1 2.94Å; S49-W52 PolarHBondContact O-N 3.09Å; Y50-W52 VanDerWaalsContact C-N 3.31Å; Y50-W52 PolarHBondContact O-N 3.42Å; W52-H54 VanDerWaalsContact C-N 3.31Å; W52-L55 HydrophobicContact CE3-CD1 4.06Å; W52-L55 HydrophobicContact CZ3-CD1 4.05Å; W52-F70 HydrophobicContact CE3-CE2 4.44Å; W52-F70 HydrophobicContact CE3-CZ 4.14Å; W52-F70 HydrophobicContact CH2-CE2 4.43Å; W52-F70 AromaticContact CZ3-CE2 3.83Å; W52-F70 HydrophobicContact CZ3-CE2 3.83Å; W52-F70 AromaticContact CZ3-CZ 3.92Å; W52-F70 HydrophobicContact CZ3-CZ 3.92Å; W52-L75 WeakPolarHBondContact CB-O 3.22Å; W52-L75 HydrophobicContact CD2-CB 3.71Å; W52-L75 HydrophobicContact CD2-CG 4.48Å; W52-L75 HydrophobicContact CE3-CB 3.94Å; W52-L75 HydrophobicContact CG-CB 4.1Å; W52-L75 HydrophobicContact CH2-CD1 3.76Å; W52-L75 HydrophobicContact CZ2-CB 4.33Å; W52-L75 HydrophobicContact CZ2-CD1 3.76Å; W52-L75 HydrophobicContact CZ2-CD2 3.99Å; W52-L75 HydrophobicContact CZ2-CG 4.23Å; W52-L75 HydrophobicContact CZ3-CB 4.35Å; W52-L75 HydrophobicContact CZ3-CD1 4.14Å; W52-V76 HydrophobicContact CE3-CG1 4.47Å; W52-T80 WeakPolarHBondContact O-CB 3.31Å; W52-T80 PolarHBondContact O-OG1 3.22Å
53K93.3Very high92.1Very high94 Ų9463.3 Ų63.341%0.40931%0.305SS..SBendtrans-67-32.8172-70.2-173.3177.6-177.50112.5S49 T80 G81 S82S49-K53 PolarHBondContact O-N 2.95Å; K53-T80 CarbonylContact O-C 3.48Å; K53-T80 WeakPolarHBondContact O-CA 3.38Å; K53-G81 PolarHBondContact O-N 3.43Å; K53-S82 PolarHBondContact O-N 3.24Å
54H94Very high92.1Very high123 Ų12360 Ų6057%0.56929%0.291SS*.EExtended strand (participates in β ladder)trans-125.9110.5177.5-55.8-72.3000108.4Q28 W52 S82Q28-H54 PolarHBondContact NE2-O 3.11Å; W52-H54 VanDerWaalsContact C-N 3.31Å; H54-S82 WeakPolarHBondContact ND1-CB 3.09Å
55L94.3Very high92.2Very high0 Ų061.1 Ų61.10%029%0.288CS..EExtended strand (participates in β ladder)trans-84.6119.8174.2-170.675000108.6Q28 W52 F57 F70 V76 T80 S82 V83 K84 V101Q28-L55 VanDerWaalsContact OE1-CA 3.28Å; W52-L55 HydrophobicContact CE3-CD1 4.06Å; W52-L55 HydrophobicContact CZ3-CD1 4.05Å; L55-F57 HydrophobicContact CD1-CD2 4.4Å; L55-F57 HydrophobicContact CD1-CE1 4.11Å; L55-F57 HydrophobicContact CD1-CE2 3.75Å; L55-F57 HydrophobicContact CD1-CZ 3.59Å; L55-F57 HydrophobicContact CD2-CD2 4.23Å; L55-F57 HydrophobicContact CD2-CE2 3.92Å; L55-F57 HydrophobicContact CG-CD2 4.19Å; L55-F57 HydrophobicContact CG-CE2 3.96Å; L55-F57 HydrophobicContact CG-CZ 4.26Å; L55-F70 HydrophobicContact CD1-CE1 3.72Å; L55-F70 HydrophobicContact CD1-CE2 4.28Å; L55-F70 HydrophobicContact CD1-CZ 3.38Å; L55-F70 HydrophobicContact CD2-CE1 3.84Å; L55-F70 HydrophobicContact CD2-CZ 4.37Å; L55-F70 HydrophobicContact CG-CE1 4.5Å; L55-V76 HydrophobicContact CD1-CG1 4.01Å; L55-V76 HydrophobicContact CD2-CG1 4.47Å; L55-T80 HydrophobicContact CB-CG2 4.43Å; L55-S82 PolarHBondContact N-O 2.92Å; L55-V83 HydrophobicContact CB-CB 4.46Å; L55-V83 HydrophobicContact CB-CG2 3.94Å; L55-V83 HydrophobicContact CD2-CG1 4.07Å; L55-V83 HydrophobicContact CD2-CG2 4.06Å; L55-V83 CarbonylContact O-C 3.56Å; L55-V83 VanDerWaalsContact O-CA 3.32Å; L55-V83 WeakPolarHBondContact O-CA 3.33Å; L55-K84 PolarHBondContact O-N 3.36Å; L55-V101 HydrophobicContact CD2-CG1 4.32Å
56D93.8Very high92.1Very high51 Ų5163.6 Ų63.627%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-132.1104.3179.1-162.4-15.9000110.1R58D56-R58 VanDerWaalsContact OD1-CB 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.26Å; D56-R58 WeakPolarHBondContact OD1-CG 3.49Å; D56-R58 IonicContact OD1-CZ 2.73Å; D56-R58 PolarHBondContact OD1-N 3.12Å; D56-R58 IonicContact OD1-NE 3.47Å; D56-R58 PolarHBondContact OD1-NE 3.34Å; D56-R58 IonicContact OD1-NH2 3.07Å; D56-R58 IonicContact OD2-CZ 3.53Å; D56-R58 VanDerWaalsContact OD2-CZ 3.29Å; D56-R58 IonicContact OD2-NE 3.38Å; D56-R58 PolarHBondContact OD2-NE 2.96Å; D56-R58 VanDerWaalsContact OD2-NE 3.07Å; D56-R58 IonicContact OD2-NH2 2.79Å; D56-R58 PolarHBondContact OD2-NH2 2.8Å
57F92.7Very high92.1Very high13 Ų1363.6 Ų63.66%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-112.225.6174-64.1-35000111.9Q28 L55 Y60 V62 L67 F70 K84Q28-F57 HydrophobicContact CB-CD1 4.42Å; Q28-F57 HydrophobicContact CB-CE1 3.88Å; L55-F57 HydrophobicContact CD1-CD2 4.4Å; L55-F57 HydrophobicContact CD1-CE1 4.11Å; L55-F57 HydrophobicContact CD1-CE2 3.75Å; L55-F57 HydrophobicContact CD1-CZ 3.59Å; L55-F57 HydrophobicContact CD2-CD2 4.23Å; L55-F57 HydrophobicContact CD2-CE2 3.92Å; L55-F57 HydrophobicContact CG-CD2 4.19Å; L55-F57 HydrophobicContact CG-CE2 3.96Å; L55-F57 HydrophobicContact CG-CZ 4.26Å; F57-Y60 PolarHBondContact O-N 2.79Å; F57-V62 HydrophobicContact CB-CG2 3.74Å; F57-V62 HydrophobicContact CD2-CG2 4.3Å; F57-V62 HydrophobicContact CG-CG2 4.27Å; F57-L67 HydrophobicContact CD2-CD2 4.21Å; F57-L67 HydrophobicContact CE2-CD2 4.22Å; F57-F70 HydrophobicContact CE2-CD1 4.28Å; F57-F70 HydrophobicContact CE2-CD2 4.35Å; F57-F70 HydrophobicContact CE2-CE1 4.28Å; F57-F70 HydrophobicContact CE2-CE2 4.35Å; F57-F70 HydrophobicContact CE2-CG 4.32Å; F57-F70 HydrophobicContact CE2-CZ 4.32Å; F57-F70 AromaticContact CZ-CD2 3.96Å; F57-F70 HydrophobicContact CZ-CD2 3.96Å; F57-F70 HydrophobicContact CZ-CE1 4.4Å; F57-F70 AromaticContact CZ-CE2 3.74Å; F57-F70 HydrophobicContact CZ-CE2 3.74Å; F57-F70 HydrophobicContact CZ-CG 4.39Å; F57-F70 AromaticContact CZ-CZ 3.98Å; F57-F70 HydrophobicContact CZ-CZ 3.98Å; F57-K84 PolarHBondContact N-O 2.99Å
58R89.4Confident92Very high97 Ų9765.7 Ų65.737%0.36631%0.309SS..EExtended strand (participates in β ladder)trans-62.1148.4168.1-65.9178.4-64.6156.55.9110.1D56 Y60 K84D56-R58 VanDerWaalsContact OD1-CB 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.26Å; D56-R58 WeakPolarHBondContact OD1-CG 3.49Å; D56-R58 IonicContact OD1-CZ 2.73Å; D56-R58 PolarHBondContact OD1-N 3.12Å; D56-R58 IonicContact OD1-NE 3.47Å; D56-R58 PolarHBondContact OD1-NE 3.34Å; D56-R58 IonicContact OD1-NH2 3.07Å; D56-R58 IonicContact OD2-CZ 3.53Å; D56-R58 VanDerWaalsContact OD2-CZ 3.29Å; D56-R58 IonicContact OD2-NE 3.38Å; D56-R58 PolarHBondContact OD2-NE 2.96Å; D56-R58 VanDerWaalsContact OD2-NE 3.07Å; D56-R58 IonicContact OD2-NH2 2.79Å; D56-R58 PolarHBondContact OD2-NH2 2.8Å; R58-Y60 VanDerWaalsContact O-CD2 3.28Å; R58-Y60 WeakPolarHBondContact O-CD2 3.38Å; R58-Y60 PolarHBondContact O-N 3.07Å; R58-K84 HydrophobicContact CG-CB 3.94Å
59N86.5Confident92Very high145 Ų14568.7 Ų68.778%0.77532%0.321SS*.EExtended strand (participates in β ladder)trans67.911.5-174.1-44.1-56.3000115.3E86N59-E86 PolarHBondContact N-OE2 2.94Å
60Y87Confident92Very high76 Ų7666.2 Ų66.230%0.29830%0.302SS..EExtended strand (participates in β ladder)trans-118.4127.9169.8-59.6-76000108.4P27 I29 F57 R58 V62P27-Y60 HydrophobicContact CB-CE2 4.49Å; P27-Y60 WeakPolarHBondContact CB-OH 3.28Å; I29-Y60 HydrophobicContact CB-CE1 4.1Å; I29-Y60 HydrophobicContact CB-CE2 4.46Å; I29-Y60 HydrophobicContact CG1-CE1 4.47Å; I29-Y60 HydrophobicContact CG2-CD1 4.26Å; I29-Y60 HydrophobicContact CG2-CE1 3.41Å; I29-Y60 VanDerWaalsContact CG2-CE1 3.41Å; I29-Y60 HydrophobicContact CG2-CE2 4.12Å; I29-Y60 VanDerWaalsContact CG2-OH 3.23Å; I29-Y60 WeakPolarHBondContact CG2-OH 3.37Å; F57-Y60 PolarHBondContact O-N 2.79Å; R58-Y60 VanDerWaalsContact O-CD2 3.28Å; R58-Y60 WeakPolarHBondContact O-CD2 3.38Å; R58-Y60 PolarHBondContact O-N 3.07Å; Y60-V62 VanDerWaalsContact C-N 3.25Å; Y60-V62 PolarHBondContact O-N 3.38Å
61E84.6Confident92.1Very high141 Ų14161.2 Ų61.266%0.65929%0.285SS*.EExtended strand (participates in β ladder)trans-71.784172.3-67.1-167.9175.800109.7N88E61-N88 HydrophobicContact CB-CB 4.48Å; E61-N88 PolarHBondContact OE2-ND2 2.79Å
62V91.4Very high92.1Very high13 Ų1369.5 Ų69.58%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-79.9129-178.7-178.40000109.3F57 Y60 D66 L67 I85 E86 F87F57-V62 HydrophobicContact CB-CG2 3.74Å; F57-V62 HydrophobicContact CD2-CG2 4.3Å; F57-V62 HydrophobicContact CG-CG2 4.27Å; Y60-V62 VanDerWaalsContact C-N 3.25Å; Y60-V62 PolarHBondContact O-N 3.38Å; V62-D66 HydrophobicContact CG1-CB 4.29Å; V62-L67 HydrophobicContact CG1-CD1 4.29Å; V62-L67 HydrophobicContact CG1-CD2 3.77Å; V62-L67 HydrophobicContact CG1-CG 3.65Å; V62-I85 HydrophobicContact CB-CG2 4.28Å; V62-E86 PolarHBondContact N-O 3.15Å; V62-E86 VanDerWaalsContact N-O 3.16Å; V62-F87 WeakPolarHBondContact O-CD1 3.31Å
63E94Very high91.8Very high60 Ų6073.7 Ų73.728%0.2834%0.335SS..  trans-93.1152.8170-69.9-66.6163.400111.4K65 D66 L67 S91E63-K65 HydrophobicContact CB-CD 4.47Å; E63-K65 HydrophobicContact CB-CG 3.88Å; E63-K65 PolarHBondContact O-N 3.45Å; E63-D66 WeakPolarHBondContact CB-OD2 3.38Å; E63-D66 PolarHBondContact N-OD2 2.67Å; E63-D66 VanDerWaalsContact N-OD2 3.15Å; E63-D66 WeakPolarHBondContact O-CB 3.36Å; E63-D66 PolarHBondContact O-N 3.29Å; E63-L67 PolarHBondContact O-N 2.9Å; E63-S91 PolarHBondContact OE1-OG 3.46Å; E63-S91 VanDerWaalsContact OE1-OG 3.1Å; E63-S91 PolarHBondContact OE2-OG 3.13Å
64P94.6Very high91.5Very high13 Ų1378 Ų788%0.08435%0.354CS..Hα-helixtrans-55.8-29.9177.7-27.536000113.7D66 R68 F87 I94 G97P64-D66 VanDerWaalsContact C-N 3.32Å; P64-D66 PolarHBondContact O-N 3.35Å; P64-R68 WeakPolarHBondContact O-CG 3.12Å; P64-R68 PolarHBondContact O-N 3.49Å; P64-F87 HydrophobicContact CG-CD1 4.3Å; P64-F87 HydrophobicContact CG-CE1 4.04Å; P64-I94 HydrophobicContact CG-CG2 4.38Å; P64-G97 VanDerWaalsContact O-CA 3.3Å; P64-G97 WeakPolarHBondContact O-CA 3.39Å
65K94.8Very high91.5Very high124 Ų12472.4 Ų72.454%0.53933%0.328SS..Hα-helixtrans-64.4-35.3174.365.6-178.5178.9178.50112.5E63 R68 L69E63-K65 HydrophobicContact CB-CD 4.47Å; E63-K65 HydrophobicContact CB-CG 3.88Å; E63-K65 PolarHBondContact O-N 3.45Å; K65-R68 PolarHBondContact O-N 3.33Å; K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.03Å; K65-L69 VanDerWaalsContact O-N 3.13Å
66D92.4Very high91.4Very high66 Ų6672.9 Ų72.935%0.35333%0.331SS..Hα-helixtrans-72.4-38.5-176.2-57.4-36.9000109.9V62 E63 P64 R68 L69 F70V62-D66 HydrophobicContact CG1-CB 4.29Å; E63-D66 WeakPolarHBondContact CB-OD2 3.38Å; E63-D66 PolarHBondContact N-OD2 2.67Å; E63-D66 VanDerWaalsContact N-OD2 3.15Å; E63-D66 WeakPolarHBondContact O-CB 3.36Å; E63-D66 PolarHBondContact O-N 3.29Å; P64-D66 VanDerWaalsContact C-N 3.32Å; P64-D66 PolarHBondContact O-N 3.35Å; D66-R68 VanDerWaalsContact C-N 3.34Å; D66-R68 PolarHBondContact O-N 2.82Å; D66-L69 PolarHBondContact O-N 2.97Å; D66-F70 VanDerWaalsContact O-CB 3.25Å; D66-F70 WeakPolarHBondContact O-CB 3.45Å; D66-F70 PolarHBondContact O-N 3.48Å
67L94.3Very high91.3Very high1 Ų170.9 Ų70.91%0.00532%0.322CS..Hα-helixtrans-62.6-38.1173-66.3177.6000112.8F57 V62 E63 L69 F70 S71 I85 F87 G97 L98 V101F57-L67 HydrophobicContact CD2-CD2 4.21Å; F57-L67 HydrophobicContact CE2-CD2 4.22Å; V62-L67 HydrophobicContact CG1-CD1 4.29Å; V62-L67 HydrophobicContact CG1-CD2 3.77Å; V62-L67 HydrophobicContact CG1-CG 3.65Å; E63-L67 PolarHBondContact O-N 2.9Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 2.73Å; L67-F70 PolarHBondContact O-N 2.94Å; L67-S71 WeakPolarHBondContact O-CB 3.49Å; L67-S71 PolarHBondContact O-N 3.36Å; L67-I85 HydrophobicContact CD1-CD1 3.9Å; L67-I85 HydrophobicContact CD1-CG2 4.43Å; L67-I85 HydrophobicContact CD2-CD1 3.98Å; L67-F87 HydrophobicContact CD1-CE1 3.75Å; L67-F87 HydrophobicContact CD1-CZ 3.47Å; L67-F87 VanDerWaalsContact CD1-CZ 3.47Å; L67-G97 VanDerWaalsContact CB-O 3.28Å; L67-G97 WeakPolarHBondContact CB-O 3.17Å; L67-L98 HydrophobicContact CD1-CD2 3.9Å; L67-L98 HydrophobicContact CD1-CG 4.36Å; L67-V101 HydrophobicContact CB-CG2 4.17Å
68R92.7Very high91.3Very high126 Ų12680.4 Ų80.448%0.47536%0.358SS..Hα-helixtrans-66.2-33.9174.8-66.9-173.2-67.2-177.4-0.5112.7P64 K65 D66 S71 P100P64-R68 WeakPolarHBondContact O-CG 3.12Å; P64-R68 PolarHBondContact O-N 3.49Å; K65-R68 PolarHBondContact O-N 3.33Å; D66-R68 VanDerWaalsContact C-N 3.34Å; D66-R68 PolarHBondContact O-N 2.82Å; R68-S71 PolarHBondContact O-OG 3.14Å; R68-S71 VanDerWaalsContact O-OG 3.04Å; R68-P100 HydrophobicContact CG-CG 4.24Å
69L92.1Very high91.4Very high95 Ų9579.3 Ų79.350%0.49736%0.357SS..Hα-helixtrans-75-41.5174.1-68.4174.8000110.8K65 D66 L67 S71 R72K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.03Å; K65-L69 VanDerWaalsContact O-N 3.13Å; D66-L69 PolarHBondContact O-N 2.97Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 2.73Å; L69-S71 VanDerWaalsContact C-N 3.34Å; L69-S71 PolarHBondContact O-N 3.34Å; L69-R72 WeakPolarHBondContact O-CB 3.39Å; L69-R72 PolarHBondContact O-N 3.18Å; L69-R72 VanDerWaalsContact O-N 3.16Å
70F92.5Very high91.8Very high16 Ų1672.4 Ų72.47%0.0732%0.32CS..Hα-helixtrans-59.6-42.2176.8174.2-101.8000111.9I32 W52 L55 F57 D66 L67 R72 Q73 L75 V76 V101I32-F70 HydrophobicContact CD1-CD2 4.18Å; I32-F70 HydrophobicContact CD1-CE2 3.97Å; W52-F70 HydrophobicContact CE3-CE2 4.44Å; W52-F70 HydrophobicContact CE3-CZ 4.14Å; W52-F70 HydrophobicContact CH2-CE2 4.43Å; W52-F70 AromaticContact CZ3-CE2 3.83Å; W52-F70 HydrophobicContact CZ3-CE2 3.83Å; W52-F70 AromaticContact CZ3-CZ 3.92Å; W52-F70 HydrophobicContact CZ3-CZ 3.92Å; L55-F70 HydrophobicContact CD1-CE1 3.72Å; L55-F70 HydrophobicContact CD1-CE2 4.28Å; L55-F70 HydrophobicContact CD1-CZ 3.38Å; L55-F70 HydrophobicContact CD2-CE1 3.84Å; L55-F70 HydrophobicContact CD2-CZ 4.37Å; L55-F70 HydrophobicContact CG-CE1 4.5Å; F57-F70 HydrophobicContact CE2-CD1 4.28Å; F57-F70 HydrophobicContact CE2-CD2 4.35Å; F57-F70 HydrophobicContact CE2-CE1 4.28Å; F57-F70 HydrophobicContact CE2-CE2 4.35Å; F57-F70 HydrophobicContact CE2-CG 4.32Å; F57-F70 HydrophobicContact CE2-CZ 4.32Å; F57-F70 AromaticContact CZ-CD2 3.96Å; F57-F70 HydrophobicContact CZ-CD2 3.96Å; F57-F70 HydrophobicContact CZ-CE1 4.4Å; F57-F70 AromaticContact CZ-CE2 3.74Å; F57-F70 HydrophobicContact CZ-CE2 3.74Å; F57-F70 HydrophobicContact CZ-CG 4.39Å; F57-F70 AromaticContact CZ-CZ 3.98Å; F57-F70 HydrophobicContact CZ-CZ 3.98Å; D66-F70 VanDerWaalsContact O-CB 3.25Å; D66-F70 WeakPolarHBondContact O-CB 3.45Å; D66-F70 PolarHBondContact O-N 3.48Å; L67-F70 PolarHBondContact O-N 2.94Å; F70-R72 PolarHBondContact O-N 2.98Å; F70-Q73 VanDerWaalsContact O-CB 3.26Å; F70-Q73 WeakPolarHBondContact O-CB 3.44Å; F70-Q73 PolarHBondContact O-N 3.23Å; F70-L75 HydrophobicContact CD2-CD1 4.32Å; F70-L75 HydrophobicContact CE2-CB 4.31Å; F70-L75 HydrophobicContact CE2-CD1 3.67Å; F70-L75 HydrophobicContact CZ-CB 4.28Å; F70-L75 HydrophobicContact CZ-CD1 4.44Å; F70-V76 HydrophobicContact CE1-CB 4.5Å; F70-V76 HydrophobicContact CE1-CG1 3.76Å; F70-V76 HydrophobicContact CE1-CG2 3.89Å; F70-V76 HydrophobicContact CZ-CG1 3.75Å; F70-V76 HydrophobicContact CZ-CG2 4.47Å; F70-V101 HydrophobicContact CD1-CG2 4.37Å
71S92.8Very high92.3Very high16 Ų1669.6 Ų69.611%0.11231%0.314CS..G310 helixtrans-59.9-2117976.80000113.2L67 R68 L69 P100L67-S71 WeakPolarHBondContact O-CB 3.49Å; L67-S71 PolarHBondContact O-N 3.36Å; R68-S71 PolarHBondContact O-OG 3.14Å; R68-S71 VanDerWaalsContact O-OG 3.04Å; L69-S71 VanDerWaalsContact C-N 3.34Å; L69-S71 PolarHBondContact O-N 3.34Å; S71-P100 WeakPolarHBondContact OG-CB 3.34Å
72R91.8Very high92.9Very high187 Ų18763.2 Ų63.271%0.70629%0.285SS*.G310 helixtrans-81.3-15.2176.2-59.2175.2-179.2-177.5-3.3113.3L69 F70 K74L69-R72 WeakPolarHBondContact O-CB 3.39Å; L69-R72 PolarHBondContact O-N 3.18Å; L69-R72 VanDerWaalsContact O-N 3.16Å; F70-R72 PolarHBondContact O-N 2.98Å; R72-K74 PolarHBondContact O-N 3.39Å
73Q88.4Confident93.1Very high91 Ų9162.6 Ų62.643%0.42528%0.281SS..G310 helixtrans-74.4-9.1-177.6-62.6-67.7-23.300113.1R47 F70 L75R47-Q73 PolarHBondContact NH2-O 3.4Å; F70-Q73 VanDerWaalsContact O-CB 3.26Å; F70-Q73 WeakPolarHBondContact O-CB 3.44Å; F70-Q73 PolarHBondContact O-N 3.23Å; Q73-L75 HydrophobicContact CB-CD1 3.71Å; Q73-L75 HydrophobicContact CB-CG 3.78Å; Q73-L75 HydrophobicContact CG-CD1 4.45Å; Q73-L75 PolarHBondContact O-N 2.73Å
74K88.1Confident93.3Very high184 Ų18462 Ų6280%0.828%0.278SS*.  trans53.534.5-178.8-57.8-178.6178.7-179.60113.9R72R72-K74 PolarHBondContact O-N 3.39Å
75L92.4Very high93.3Very high6 Ų661.3 Ų61.33%0.03127%0.274CS..  trans-87.2-40.7177.7-65170.9000111.4I32 R47 W52 F70 Q73 Q79I32-L75 HydrophobicContact CD1-CD1 4.1Å; I32-L75 HydrophobicContact CG1-CD1 3.97Å; R47-L75 HydrophobicContact CB-CD2 3.95Å; R47-L75 HydrophobicContact CG-CD2 3.71Å; W52-L75 WeakPolarHBondContact CB-O 3.22Å; W52-L75 HydrophobicContact CD2-CB 3.71Å; W52-L75 HydrophobicContact CD2-CG 4.48Å; W52-L75 HydrophobicContact CE3-CB 3.94Å; W52-L75 HydrophobicContact CG-CB 4.1Å; W52-L75 HydrophobicContact CH2-CD1 3.76Å; W52-L75 HydrophobicContact CZ2-CB 4.33Å; W52-L75 HydrophobicContact CZ2-CD1 3.76Å; W52-L75 HydrophobicContact CZ2-CD2 3.99Å; W52-L75 HydrophobicContact CZ2-CG 4.23Å; W52-L75 HydrophobicContact CZ3-CB 4.35Å; W52-L75 HydrophobicContact CZ3-CD1 4.14Å; F70-L75 HydrophobicContact CD2-CD1 4.32Å; F70-L75 HydrophobicContact CE2-CB 4.31Å; F70-L75 HydrophobicContact CE2-CD1 3.67Å; F70-L75 HydrophobicContact CZ-CB 4.28Å; F70-L75 HydrophobicContact CZ-CD1 4.44Å; Q73-L75 HydrophobicContact CB-CD1 3.71Å; Q73-L75 HydrophobicContact CB-CG 3.78Å; Q73-L75 HydrophobicContact CG-CD1 4.45Å; Q73-L75 PolarHBondContact O-N 2.73Å; L75-Q79 PolarHBondContact O-NE2 2.92Å
76V93.6Very high93.4Very high9 Ų958 Ų586%0.05526%0.26CS..  trans-95.9159176.5-65.10000111.5W52 L55 F70 T80 I104W52-V76 HydrophobicContact CE3-CG1 4.47Å; L55-V76 HydrophobicContact CD1-CG1 4.01Å; L55-V76 HydrophobicContact CD2-CG1 4.47Å; F70-V76 HydrophobicContact CE1-CB 4.5Å; F70-V76 HydrophobicContact CE1-CG1 3.76Å; F70-V76 HydrophobicContact CE1-CG2 3.89Å; F70-V76 HydrophobicContact CZ-CG1 3.75Å; F70-V76 HydrophobicContact CZ-CG2 4.47Å; V76-T80 WeakPolarHBondContact CA-OG1 3.34Å; V76-T80 HydrophobicContact CB-CG2 4.41Å; V76-T80 WeakPolarHBondContact CB-OG1 3.33Å; V76-T80 HydrophobicContact CG1-CG2 4.17Å; V76-I104 HydrophobicContact CG2-CG2 4.39Å; V76-I104 WeakPolarHBondContact O-CG2 3.33Å
77G92Very high93.6Very high10 Ų1055 Ų5510%0.10324%0.243CC..  trans-170.4-161.6-17500000112.4Q79 T80 I104G77-Q79 VanDerWaalsContact C-OE1 3.27Å; G77-Q79 PolarHBondContact O-N 2.94Å; G77-Q79 VanDerWaalsContact O-N 3.08Å; G77-T80 PolarHBondContact N-OG1 2.93Å; G77-T80 WeakPolarHBondContact O-CB 2.99Å; G77-T80 PolarHBondContact O-N 2.83Å; G77-T80 PolarHBondContact O-OG1 2.92Å; G77-I104 CarbonylContact C-O 3.47Å
78R92.1Very high93.5Very high212 Ų21256.3 Ų56.380%0.825%0.251SS*.THydrogen-bonded Turntrans-63.9-9174.7-65.9-173.7179.1-171.9-0.4113.8V107R78-V107 WeakPolarHBondContact O-CG2 3.27Å
79Q91.7Very high93.5Very high75 Ų7554.9 Ų54.935%0.3526%0.258SS..THydrogen-bonded Turntrans-83.2-16.7171.473.4-79.1600113.1L75 G77 G81L75-Q79 PolarHBondContact O-NE2 2.92Å; G77-Q79 VanDerWaalsContact C-OE1 3.27Å; G77-Q79 PolarHBondContact O-N 2.94Å; G77-Q79 VanDerWaalsContact O-N 3.08Å; Q79-G81 PolarHBondContact O-N 3.29Å
80T95.6Very high93.5Very high0 Ų060.8 Ų60.80%027%0.273CS..  trans-80.3107.5-175.7-54.60000108.8W52 K53 L55 V76 G77 V83 L108W52-T80 WeakPolarHBondContact O-CB 3.31Å; W52-T80 PolarHBondContact O-OG1 3.22Å; K53-T80 CarbonylContact O-C 3.48Å; K53-T80 WeakPolarHBondContact O-CA 3.38Å; L55-T80 HydrophobicContact CB-CG2 4.43Å; V76-T80 WeakPolarHBondContact CA-OG1 3.34Å; V76-T80 HydrophobicContact CB-CG2 4.41Å; V76-T80 WeakPolarHBondContact CB-OG1 3.33Å; V76-T80 HydrophobicContact CG1-CG2 4.17Å; G77-T80 PolarHBondContact N-OG1 2.93Å; G77-T80 WeakPolarHBondContact O-CB 2.99Å; G77-T80 PolarHBondContact O-N 2.83Å; G77-T80 PolarHBondContact O-OG1 2.92Å; T80-V83 HydrophobicContact CG2-CG2 4.29Å; T80-L108 HydrophobicContact CG2-CD2 4.3Å; T80-L108 WeakPolarHBondContact O-CD2 3.35Å
81G95.7Very high93.6Very high16 Ų1660.1 Ų60.117%0.16527%0.271CS..  trans-98.5-16.5-176.900000113.9K53 Q79 T109 H110K53-G81 PolarHBondContact O-N 3.43Å; Q79-G81 PolarHBondContact O-N 3.29Å; G81-T109 PolarHBondContact O-N 2.9Å; G81-T109 PolarHBondContact O-OG1 3.18Å; G81-H110 PolarHBondContact O-N 3.34Å; G81-H110 VanDerWaalsContact O-N 3.14Å
82S97.2Very high93.8Very high8 Ų866.1 Ų66.16%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-137.5141.7179.9-179.50000112K53 H54 L55 H110K53-S82 PolarHBondContact O-N 3.24Å; H54-S82 WeakPolarHBondContact ND1-CB 3.09Å; L55-S82 PolarHBondContact N-O 2.92Å; S82-H110 CarbonylContact C-O 3.57Å; S82-H110 VanDerWaalsContact CA-O 3.24Å; S82-H110 WeakPolarHBondContact CA-O 3.4Å
83V97Very high93.9Very high0 Ų060.4 Ų60.40%028%0.278CS..EExtended strand (participates in β ladder)trans-134.5126.21741710000109.5L55 T80 I85 F102 L108 H110 V111 L112L55-V83 HydrophobicContact CB-CB 4.46Å; L55-V83 HydrophobicContact CB-CG2 3.94Å; L55-V83 HydrophobicContact CD2-CG1 4.07Å; L55-V83 HydrophobicContact CD2-CG2 4.06Å; L55-V83 CarbonylContact O-C 3.56Å; L55-V83 VanDerWaalsContact O-CA 3.32Å; L55-V83 WeakPolarHBondContact O-CA 3.33Å; T80-V83 HydrophobicContact CG2-CG2 4.29Å; V83-I85 HydrophobicContact CG1-CD1 3.35Å; V83-I85 HydrophobicContact CG1-CG1 3.62Å; V83-F102 HydrophobicContact CB-CE1 4.37Å; V83-F102 HydrophobicContact CG1-CE1 4.07Å; V83-L108 HydrophobicContact CB-CD2 4.21Å; V83-L108 HydrophobicContact CG2-CD1 4.19Å; V83-L108 HydrophobicContact CG2-CD2 3.46Å; V83-L108 VanDerWaalsContact CG2-CD2 3.46Å; V83-L108 HydrophobicContact CG2-CG 4.49Å; V83-H110 PolarHBondContact N-O 2.68Å; V83-V111 CarbonylContact O-C 3.53Å; V83-V111 WeakPolarHBondContact O-CA 3.46Å; V83-L112 PolarHBondContact O-N 2.92Å
84K97Very high94.3Very high46 Ų4656 Ų5620%0.226%0.258CS..EExtended strand (participates in β ladder)trans-124.5119.2173.1-52.6-172.3178.5-178.80109.1L55 F57 R58 L112L55-K84 PolarHBondContact O-N 3.36Å; F57-K84 PolarHBondContact N-O 2.99Å; R58-K84 HydrophobicContact CG-CB 3.94Å; K84-L112 CarbonylContact C-O 3.5Å; K84-L112 WeakPolarHBondContact CA-O 3.34Å; K84-L112 HydrophobicContact CB-CB 4.14Å; K84-L112 HydrophobicContact CB-CD2 4.41Å; K84-L112 HydrophobicContact CD-CD1 4.42Å; K84-L112 HydrophobicContact CG-CB 3.97Å
85I96.1Very high94.7Very high0 Ų048 Ų480%022%0.223CC..EExtended strand (participates in β ladder)trans-132.3136-174.7-63.7166000109.3V62 L67 V83 F87 L98 L112 I113 R114V62-I85 HydrophobicContact CB-CG2 4.28Å; L67-I85 HydrophobicContact CD1-CD1 3.9Å; L67-I85 HydrophobicContact CD1-CG2 4.43Å; L67-I85 HydrophobicContact CD2-CD1 3.98Å; V83-I85 HydrophobicContact CG1-CD1 3.35Å; V83-I85 HydrophobicContact CG1-CG1 3.62Å; I85-F87 HydrophobicContact CB-CE2 4.32Å; I85-F87 HydrophobicContact CG2-CD2 3.84Å; I85-F87 HydrophobicContact CG2-CE1 4.27Å; I85-F87 HydrophobicContact CG2-CE2 3.51Å; I85-F87 HydrophobicContact CG2-CG 4.36Å; I85-F87 HydrophobicContact CG2-CZ 3.75Å; I85-L98 HydrophobicContact CD1-CD2 3.41Å; I85-L98 VanDerWaalsContact CD1-CD2 3.41Å; I85-L112 PolarHBondContact N-O 2.92Å; I85-I113 WeakPolarHBondContact O-CA 3.26Å; I85-R114 PolarHBondContact O-N 3.29Å
86E95.9Very high94.8Very high53 Ų5349.3 Ų49.325%0.24824%0.235CC..EExtended strand (participates in β ladder)trans-112.9117.4170.2-174168.8-177.600108.6N59 V62 R114N59-E86 PolarHBondContact N-OE2 2.94Å; V62-E86 PolarHBondContact N-O 3.15Å; V62-E86 VanDerWaalsContact N-O 3.16Å; E86-R114 HydrophobicContact CB-CB 4.44Å; E86-R114 HydrophobicContact CG-CB 4.22Å; E86-R114 HydrophobicContact CG-CG 4.45Å
87F96.4Very high94.8Very high3 Ų348.9 Ų48.91%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-92.4150.7174-71.3-82.3000109.5V62 P64 L67 I85 I94 L98 I113 R114V62-F87 WeakPolarHBondContact O-CD1 3.31Å; P64-F87 HydrophobicContact CG-CD1 4.3Å; P64-F87 HydrophobicContact CG-CE1 4.04Å; L67-F87 HydrophobicContact CD1-CE1 3.75Å; L67-F87 HydrophobicContact CD1-CZ 3.47Å; L67-F87 VanDerWaalsContact CD1-CZ 3.47Å; I85-F87 HydrophobicContact CB-CE2 4.32Å; I85-F87 HydrophobicContact CG2-CD2 3.84Å; I85-F87 HydrophobicContact CG2-CE1 4.27Å; I85-F87 HydrophobicContact CG2-CE2 3.51Å; I85-F87 HydrophobicContact CG2-CG 4.36Å; I85-F87 HydrophobicContact CG2-CZ 3.75Å; F87-I94 HydrophobicContact CB-CG2 4.26Å; F87-I94 HydrophobicContact CD1-CB 4.31Å; F87-I94 HydrophobicContact CD1-CG2 3.74Å; F87-I94 HydrophobicContact CD2-CB 4.13Å; F87-I94 HydrophobicContact CD2-CD1 4.25Å; F87-I94 HydrophobicContact CD2-CG2 3.89Å; F87-I94 HydrophobicContact CE1-CB 4.08Å; F87-I94 HydrophobicContact CE1-CG2 4.01Å; F87-I94 HydrophobicContact CE2-CB 3.87Å; F87-I94 HydrophobicContact CE2-CD1 4.25Å; F87-I94 HydrophobicContact CE2-CG2 4.13Å; F87-I94 HydrophobicContact CG-CB 4.35Å; F87-I94 HydrophobicContact CG-CG2 3.69Å; F87-I94 HydrophobicContact CZ-CB 3.84Å; F87-I94 HydrophobicContact CZ-CG2 4.18Å; F87-L98 HydrophobicContact CE2-CD1 4.19Å; F87-L98 HydrophobicContact CE2-CD2 4.13Å; F87-L98 HydrophobicContact CE2-CG 4.26Å; F87-L98 HydrophobicContact CZ-CD1 4.31Å; F87-L98 HydrophobicContact CZ-CD2 3.95Å; F87-L98 HydrophobicContact CZ-CG 3.95Å; F87-I113 HydrophobicContact CD2-CG2 3.97Å; F87-I113 HydrophobicContact CE2-CG2 4.02Å; F87-R114 PolarHBondContact N-O 2.77Å
88N92.7Very high95Very high29 Ų2948.4 Ų48.416%0.15523%0.227CC..  trans-55.9135.4164-174.3-64.3000108.4E61 R90 S91E61-N88 HydrophobicContact CB-CB 4.48Å; E61-N88 PolarHBondContact OE2-ND2 2.79Å; N88-R90 PolarHBondContact O-N 2.86Å; N88-R90 VanDerWaalsContact OD1-CB 3.29Å; N88-R90 WeakPolarHBondContact OD1-CB 3.1Å; N88-R90 PolarHBondContact OD1-N 2.98Å; N88-S91 WeakPolarHBondContact CB-OG 3.26Å; N88-S91 VanDerWaalsContact O-CB 3.25Å; N88-S91 WeakPolarHBondContact O-CB 3.34Å; N88-S91 PolarHBondContact O-N 2.96Å; N88-S91 PolarHBondContact O-OG 2.84Å
89P91.5Very high95.2Very high96 Ų9639.8 Ų39.862%0.62320%0.202SC*.THydrogen-bonded Turntrans-54.5-22.7179.2-28.735.6000114.1
90R93.1Very high95.3Very high219 Ų21938.2 Ų38.283%0.82620%0.198SC*.THydrogen-bonded Turntrans-88.3-10.5177.9-57.3179.8177.5-179.70.4113.7N88 K92N88-R90 PolarHBondContact O-N 2.86Å; N88-R90 VanDerWaalsContact OD1-CB 3.29Å; N88-R90 WeakPolarHBondContact OD1-CB 3.1Å; N88-R90 PolarHBondContact OD1-N 2.98Å; R90-K92 PolarHBondContact O-N 2.9Å
91S95.5Very high95.3Very high3 Ų338.2 Ų38.22%0.02120%0.198CC..  trans-61133.1177.9-62.80000110.4E63 N88 G116 S117E63-S91 PolarHBondContact OE1-OG 3.46Å; E63-S91 VanDerWaalsContact OE1-OG 3.1Å; E63-S91 PolarHBondContact OE2-OG 3.13Å; N88-S91 WeakPolarHBondContact CB-OG 3.26Å; N88-S91 VanDerWaalsContact O-CB 3.25Å; N88-S91 WeakPolarHBondContact O-CB 3.34Å; N88-S91 PolarHBondContact O-N 2.96Å; N88-S91 PolarHBondContact O-OG 2.84Å; S91-G116 CarbonylContact O-C 3.51Å; S91-G116 WeakPolarHBondContact O-CA 3.46Å; S91-S117 WeakPolarHBondContact O-CB 3.5Å; S91-S117 PolarHBondContact O-N 2.95Å
92K95Very high95.3Very high142 Ų14237.9 Ų37.962%0.61719%0.192SC*.BIsolated β-bridgetrans-113.5149.9-178.4-65.9171.4-1761720110.4R90R90-K92 PolarHBondContact O-N 2.9Å
93N95.4Very high95.1Very high66 Ų6646.4 Ų46.435%0.35323%0.228SC..  trans57.450.7176.4-171.520.7000111.5E95 A96 S117 N119N93-E95 VanDerWaalsContact C-OE2 3.28Å; N93-E95 WeakPolarHBondContact CA-OE2 3.15Å; N93-E95 PolarHBondContact O-N 3.06Å; N93-E95 WeakPolarHBondContact OD1-CG 3.31Å; N93-E95 PolarHBondContact OD1-OE1 3.05Å; N93-E95 PolarHBondContact OD1-OE2 3.08Å; N93-A96 WeakPolarHBondContact ND2-CB 3.14Å; N93-A96 WeakPolarHBondContact O-CB 3.45Å; N93-A96 PolarHBondContact O-N 3.2Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-S117 WeakPolarHBondContact CA-O 3.37Å; N93-S117 PolarHBondContact N-O 3.41Å; N93-N119 HydrophobicContact CB-CB 4.05Å
94I96.6Very high94.9Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-60.6-31.2-177.161.5173.8000112.1P64 F87 A96 G97 L98 I113 S117 I118P64-I94 HydrophobicContact CG-CG2 4.38Å; F87-I94 HydrophobicContact CB-CG2 4.26Å; F87-I94 HydrophobicContact CD1-CB 4.31Å; F87-I94 HydrophobicContact CD1-CG2 3.74Å; F87-I94 HydrophobicContact CD2-CB 4.13Å; F87-I94 HydrophobicContact CD2-CD1 4.25Å; F87-I94 HydrophobicContact CD2-CG2 3.89Å; F87-I94 HydrophobicContact CE1-CB 4.08Å; F87-I94 HydrophobicContact CE1-CG2 4.01Å; F87-I94 HydrophobicContact CE2-CB 3.87Å; F87-I94 HydrophobicContact CE2-CD1 4.25Å; F87-I94 HydrophobicContact CE2-CG2 4.13Å; F87-I94 HydrophobicContact CG-CB 4.35Å; F87-I94 HydrophobicContact CG-CG2 3.69Å; F87-I94 HydrophobicContact CZ-CB 3.84Å; F87-I94 HydrophobicContact CZ-CG2 4.18Å; I94-A96 PolarHBondContact O-N 3.11Å; I94-G97 PolarHBondContact O-N 3.12Å; I94-L98 HydrophobicContact CG1-CD1 4.43Å; I94-L98 WeakPolarHBondContact O-CG 3.23Å; I94-L98 PolarHBondContact O-N 3.44Å; I94-I113 HydrophobicContact CD1-CG2 3.87Å; I94-S117 PolarHBondContact N-O 3Å; I94-I118 HydrophobicContact CD1-CG1 3.81Å; I94-I118 HydrophobicContact CG1-CG1 4.04Å
95E95.3Very high94.7Very high14 Ų1447.3 Ų47.37%0.06524%0.235CC..Hα-helixtrans-60.6-29.7178.668.4-94-13800112.6N93 G97 L98 A99 I118 N119 N120 F124 L127N93-E95 VanDerWaalsContact C-OE2 3.28Å; N93-E95 WeakPolarHBondContact CA-OE2 3.15Å; N93-E95 PolarHBondContact O-N 3.06Å; N93-E95 WeakPolarHBondContact OD1-CG 3.31Å; N93-E95 PolarHBondContact OD1-OE1 3.05Å; N93-E95 PolarHBondContact OD1-OE2 3.08Å; E95-G97 VanDerWaalsContact C-N 3.28Å; E95-G97 PolarHBondContact O-N 2.97Å; E95-L98 PolarHBondContact O-N 3.37Å; E95-A99 VanDerWaalsContact O-CB 3.29Å; E95-A99 WeakPolarHBondContact O-CB 3.4Å; E95-A99 PolarHBondContact O-N 3.08Å; E95-I118 WeakPolarHBondContact OE2-CA 3.2Å; E95-N119 VanDerWaalsContact CD-N 3.33Å; E95-N119 VanDerWaalsContact OE1-CA 3.25Å; E95-N119 WeakPolarHBondContact OE1-CA 3.46Å; E95-N119 WeakPolarHBondContact OE1-CB 3.33Å; E95-N119 PolarHBondContact OE1-N 3.12Å; E95-N119 PolarHBondContact OE2-N 3.19Å; E95-N120 PolarHBondContact OE1-N 3.28Å; E95-F124 HydrophobicContact CB-CB 4.29Å; E95-F124 HydrophobicContact CB-CD2 3.86Å; E95-L127 HydrophobicContact CB-CD1 3.78Å
96A94.7Very high94.2Very high34 Ų3449 Ų4928%0.28125%0.251SS..Hα-helixtrans-70.2-26.3176.200000112.9N93 I94 P100N93-A96 WeakPolarHBondContact ND2-CB 3.14Å; N93-A96 WeakPolarHBondContact O-CB 3.45Å; N93-A96 PolarHBondContact O-N 3.2Å; N93-A96 VanDerWaalsContact O-N 3.16Å; I94-A96 PolarHBondContact O-N 3.11Å; A96-P100 WeakPolarHBondContact O-CD 3.48Å
97G94.9Very high94Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-80.5-38.9171.900000112.6P64 L67 I94 E95 P100P64-G97 VanDerWaalsContact O-CA 3.3Å; P64-G97 WeakPolarHBondContact O-CA 3.39Å; L67-G97 VanDerWaalsContact CB-O 3.28Å; L67-G97 WeakPolarHBondContact CB-O 3.17Å; I94-G97 PolarHBondContact O-N 3.12Å; E95-G97 VanDerWaalsContact C-N 3.28Å; E95-G97 PolarHBondContact O-N 2.97Å; G97-P100 WeakPolarHBondContact O-CD 3.3Å
98L96.4Very high93.9Very high0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-72.8-38.3-178.4-65.7166.9000112.7L67 I85 F87 I94 E95 V101 F102 I113 F124 L127L67-L98 HydrophobicContact CD1-CD2 3.9Å; L67-L98 HydrophobicContact CD1-CG 4.36Å; I85-L98 HydrophobicContact CD1-CD2 3.41Å; I85-L98 VanDerWaalsContact CD1-CD2 3.41Å; F87-L98 HydrophobicContact CE2-CD1 4.19Å; F87-L98 HydrophobicContact CE2-CD2 4.13Å; F87-L98 HydrophobicContact CE2-CG 4.26Å; F87-L98 HydrophobicContact CZ-CD1 4.31Å; F87-L98 HydrophobicContact CZ-CD2 3.95Å; F87-L98 HydrophobicContact CZ-CG 3.95Å; I94-L98 HydrophobicContact CG1-CD1 4.43Å; I94-L98 WeakPolarHBondContact O-CG 3.23Å; I94-L98 PolarHBondContact O-N 3.44Å; E95-L98 PolarHBondContact O-N 3.37Å; L98-V101 WeakPolarHBondContact O-CA 3.12Å; L98-V101 WeakPolarHBondContact O-CB 3.5Å; L98-V101 PolarHBondContact O-N 3.33Å; L98-F102 HydrophobicContact CB-CE1 4.42Å; L98-F102 HydrophobicContact CB-CE2 4.31Å; L98-F102 HydrophobicContact CB-CZ 4.26Å; L98-F102 HydrophobicContact CD1-CZ 4.47Å; L98-F102 HydrophobicContact CD2-CE1 3.9Å; L98-F102 HydrophobicContact CD2-CZ 3.83Å; L98-F102 HydrophobicContact CG-CZ 4.42Å; L98-F102 PolarHBondContact O-N 2.98Å; L98-I113 HydrophobicContact CD1-CD1 3.56Å; L98-I113 HydrophobicContact CD1-CG1 4.31Å; L98-F124 HydrophobicContact CD1-CE2 3.84Å; L98-L127 HydrophobicContact CB-CD1 4.32Å
99A95.6Very high94.1Very high32 Ų3250.2 Ų50.226%0.26426%0.263SS..Hα-helixtrans-53.9-45.8-17200000114.1E95 V101 K103 L127E95-A99 VanDerWaalsContact O-CB 3.29Å; E95-A99 WeakPolarHBondContact O-CB 3.4Å; E95-A99 PolarHBondContact O-N 3.08Å; A99-V101 VanDerWaalsContact C-N 3.32Å; A99-V101 PolarHBondContact O-N 2.91Å; A99-K103 WeakPolarHBondContact O-CB 3.35Å; A99-K103 PolarHBondContact O-N 2.89Å; A99-L127 HydrophobicContact CB-CD1 4.02Å; A99-L127 HydrophobicContact CB-CD2 3.61Å; A99-L127 HydrophobicContact CB-CG 4.48Å
100P94.7Very high94.4Very high41 Ų4147 Ų4727%0.26624%0.24SC..Hα-helixtrans-64.5-34.2176.1-2537.8000113.8R68 S71 A96 G97 I104R68-P100 HydrophobicContact CG-CG 4.24Å; S71-P100 WeakPolarHBondContact OG-CB 3.34Å; A96-P100 WeakPolarHBondContact O-CD 3.48Å; G97-P100 WeakPolarHBondContact O-CD 3.3Å; P100-I104 WeakPolarHBondContact O-CD1 3.43Å; P100-I104 VanDerWaalsContact O-CG1 3.31Å; P100-I104 WeakPolarHBondContact O-CG1 3.41Å; P100-I104 PolarHBondContact O-N 3Å
101V95Very high94.6Very high0 Ų036.6 Ų36.60%020%0.201CC..Hα-helixtrans-70.5-49.8178.2179.50000109.9L55 L67 F70 L98 A99 K103 I104 C105L55-V101 HydrophobicContact CD2-CG1 4.32Å; L67-V101 HydrophobicContact CB-CG2 4.17Å; F70-V101 HydrophobicContact CD1-CG2 4.37Å; L98-V101 WeakPolarHBondContact O-CA 3.12Å; L98-V101 WeakPolarHBondContact O-CB 3.5Å; L98-V101 PolarHBondContact O-N 3.33Å; A99-V101 VanDerWaalsContact C-N 3.32Å; A99-V101 PolarHBondContact O-N 2.91Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.41Å; V101-I104 PolarHBondContact O-N 2.65Å; V101-I104 VanDerWaalsContact O-N 3.13Å; V101-C105 PolarHBondContact O-N 3.46Å; V101-C105 PolarHBondContact O-SG 3.23Å
102F95.3Very high94.7Very high9 Ų937.1 Ų37.14%0.03920%0.203CC..Hα-helixtrans-67.3-35.9-177-718.9000111.7V83 L98 I104 C105 L108 V111 I113 L127 F128V83-F102 HydrophobicContact CB-CE1 4.37Å; V83-F102 HydrophobicContact CG1-CE1 4.07Å; L98-F102 HydrophobicContact CB-CE1 4.42Å; L98-F102 HydrophobicContact CB-CE2 4.31Å; L98-F102 HydrophobicContact CB-CZ 4.26Å; L98-F102 HydrophobicContact CD1-CZ 4.47Å; L98-F102 HydrophobicContact CD2-CE1 3.9Å; L98-F102 HydrophobicContact CD2-CZ 3.83Å; L98-F102 HydrophobicContact CG-CZ 4.42Å; L98-F102 PolarHBondContact O-N 2.98Å; F102-I104 PolarHBondContact O-N 3.39Å; F102-C105 CarbonylContact O-C 3.59Å; F102-C105 PolarHBondContact O-N 2.85Å; F102-L108 HydrophobicContact CB-CD1 4.32Å; F102-L108 HydrophobicContact CD1-CD1 3.54Å; F102-L108 HydrophobicContact CE1-CD1 3.96Å; F102-L108 HydrophobicContact CG-CD1 3.91Å; F102-V111 HydrophobicContact CE2-CG1 4.21Å; F102-V111 HydrophobicContact CE2-CG2 4.42Å; F102-V111 HydrophobicContact CZ-CG1 3.66Å; F102-V111 HydrophobicContact CZ-CG2 4.1Å; F102-I113 HydrophobicContact CZ-CD1 4.39Å; F102-L127 HydrophobicContact CD2-CB 3.87Å; F102-F128 HydrophobicContact CD2-CD1 4.42Å; F102-F128 AromaticContact CE2-CD1 4Å; F102-F128 HydrophobicContact CE2-CD1 4Å; F102-F128 AromaticContact CE2-CE1 3.85Å; F102-F128 HydrophobicContact CE2-CE1 3.85Å
103K93.1Very high94.9Very high187 Ų18730.3 Ų30.381%0.81317%0.174SC*.Hα-helixtrans-58.8-34.2173.5-175.3175.7-178.7177.30112.9A99 V101A99-K103 WeakPolarHBondContact O-CB 3.35Å; A99-K103 PolarHBondContact O-N 2.89Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.41Å
104I93.4Very high94.9Very high66 Ų6631.8 Ų31.834%0.33817%0.174SC..Hα-helixtrans-80.4-37.7177.8-66.9167.3000110.7V76 G77 P100 V101 F102 G106V76-I104 HydrophobicContact CG2-CG2 4.39Å; V76-I104 WeakPolarHBondContact O-CG2 3.33Å; G77-I104 CarbonylContact C-O 3.47Å; P100-I104 WeakPolarHBondContact O-CD1 3.43Å; P100-I104 VanDerWaalsContact O-CG1 3.31Å; P100-I104 WeakPolarHBondContact O-CG1 3.41Å; P100-I104 PolarHBondContact O-N 3Å; V101-I104 PolarHBondContact O-N 2.65Å; V101-I104 VanDerWaalsContact O-N 3.13Å; F102-I104 PolarHBondContact O-N 3.39Å; I104-G106 VanDerWaalsContact C-N 3.33Å; I104-G106 PolarHBondContact O-N 3.15Å; I104-G106 VanDerWaalsContact O-N 3.15Å
105C93.3Very high94.9Very high0 Ų031.9 Ų31.90%018%0.175CC..  trans-87.864.6-179.7-50.60000111.2V101 F102 V107 L108V101-C105 PolarHBondContact O-N 3.46Å; V101-C105 PolarHBondContact O-SG 3.23Å; F102-C105 CarbonylContact O-C 3.59Å; F102-C105 PolarHBondContact O-N 2.85Å; C105-V107 PolarHBondContact O-N 3.29Å; C105-L108 HydrophobicContact CB-CD1 3.7Å; C105-L108 HydrophobicContact CB-CD2 3.84Å; C105-L108 HydrophobicContact CB-CG 3.55Å; C105-L108 VanDerWaalsContact O-CG 3.32Å; C105-L108 WeakPolarHBondContact O-CG 3.1Å; C105-L108 PolarHBondContact O-N 3.22Å
106G85Confident94.9Very high34 Ų3431.2 Ų31.235%0.35117%0.173SC..THydrogen-bonded Turntrans-63.2-8.3-171.300000116.7I104 S129I104-G106 VanDerWaalsContact C-N 3.33Å; I104-G106 PolarHBondContact O-N 3.15Å; I104-G106 VanDerWaalsContact O-N 3.15Å; G106-S129 PolarHBondContact O-OG 3.19Å
107V91Very high95Very high50 Ų5030.1 Ų30.130%0.30316%0.163SC..THydrogen-bonded Turntrans-122.726.7-176-57.20000113R78 C105 T109 Y131R78-V107 WeakPolarHBondContact O-CG2 3.27Å; C105-V107 PolarHBondContact O-N 3.29Å; V107-T109 PolarHBondContact O-N 3.44Å; V107-T109 VanDerWaalsContact O-N 3.14Å; V107-Y131 HydrophobicContact CB-CD2 4.24Å; V107-Y131 HydrophobicContact CG1-CD2 4.1Å; V107-Y131 HydrophobicContact CG1-CE2 4.09Å
108L95.4Very high95.1Very high4 Ų430.1 Ų30.12%0.02116%0.163CC..  trans-57.2120.5176.6-73.1169.7000110.7T80 V83 F102 C105 V111 Y131 L132T80-L108 HydrophobicContact CG2-CD2 4.3Å; T80-L108 WeakPolarHBondContact O-CD2 3.35Å; V83-L108 HydrophobicContact CB-CD2 4.21Å; V83-L108 HydrophobicContact CG2-CD1 4.19Å; V83-L108 HydrophobicContact CG2-CD2 3.46Å; V83-L108 VanDerWaalsContact CG2-CD2 3.46Å; V83-L108 HydrophobicContact CG2-CG 4.49Å; F102-L108 HydrophobicContact CB-CD1 4.32Å; F102-L108 HydrophobicContact CD1-CD1 3.54Å; F102-L108 HydrophobicContact CE1-CD1 3.96Å; F102-L108 HydrophobicContact CG-CD1 3.91Å; C105-L108 HydrophobicContact CB-CD1 3.7Å; C105-L108 HydrophobicContact CB-CD2 3.84Å; C105-L108 HydrophobicContact CB-CG 3.55Å; C105-L108 VanDerWaalsContact O-CG 3.32Å; C105-L108 WeakPolarHBondContact O-CG 3.1Å; C105-L108 PolarHBondContact O-N 3.22Å; L108-V111 HydrophobicContact CB-CG2 4.31Å; L108-V111 HydrophobicContact CD1-CG2 4.24Å; L108-Y131 CarbonylContact O-C 3.58Å; L108-L132 WeakPolarHBondContact O-CA 3.48Å; L108-L132 PolarHBondContact O-N 3.47Å
109T96.3Very high95.1Very high57 Ų5733.5 Ų33.535%0.3518%0.181SC..  trans-102.2-21.9175.262.60000112G81 V107 Y131 E133 K134G81-T109 PolarHBondContact O-N 2.9Å; G81-T109 PolarHBondContact O-OG1 3.18Å; V107-T109 PolarHBondContact O-N 3.44Å; V107-T109 VanDerWaalsContact O-N 3.14Å; T109-Y131 WeakPolarHBondContact CA-O 3.02Å; T109-E133 PolarHBondContact O-N 3.16Å; T109-K134 PolarHBondContact O-N 3.3Å
110H97.7Very high95Very high28 Ų2833.4 Ų33.413%0.1318%0.176CC..EExtended strand (participates in β ladder)trans-134.3120.6179.3-177.4-171.9000111.7G81 S82 V83 K134 E136G81-H110 PolarHBondContact O-N 3.34Å; G81-H110 VanDerWaalsContact O-N 3.14Å; S82-H110 CarbonylContact C-O 3.57Å; S82-H110 VanDerWaalsContact CA-O 3.24Å; S82-H110 WeakPolarHBondContact CA-O 3.4Å; V83-H110 PolarHBondContact N-O 2.68Å; H110-K134 WeakPolarHBondContact CA-O 3.47Å; H110-K134 HydrophobicContact CB-CB 4.14Å; H110-E136 IonicContact CD2-OE1 2.7Å; H110-E136 IonicContact CE1-OE1 2.69Å; H110-E136 PolarHBondContact CE1-OE1 3.3Å; H110-E136 IonicContact NE2-OE1 3.85Å; H110-E136 PolarHBondContact NE2-OE1 3.4Å
111V97.8Very high95Very high1 Ų131.5 Ų31.51%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-123126.2173177.50000110.3V83 F102 L108 I113 F128 L132 K134 L135 E136V83-V111 CarbonylContact O-C 3.53Å; V83-V111 WeakPolarHBondContact O-CA 3.46Å; F102-V111 HydrophobicContact CE2-CG1 4.21Å; F102-V111 HydrophobicContact CE2-CG2 4.42Å; F102-V111 HydrophobicContact CZ-CG1 3.66Å; F102-V111 HydrophobicContact CZ-CG2 4.1Å; L108-V111 HydrophobicContact CB-CG2 4.31Å; L108-V111 HydrophobicContact CD1-CG2 4.24Å; V111-I113 HydrophobicContact CG1-CD1 3.83Å; V111-I113 HydrophobicContact CG1-CG1 3.92Å; V111-F128 HydrophobicContact CB-CE1 4.35Å; V111-F128 HydrophobicContact CG1-CE1 4.05Å; V111-F128 HydrophobicContact CG2-CD1 4.43Å; V111-L132 HydrophobicContact CB-CD1 4.12Å; V111-L132 HydrophobicContact CG2-CD1 3.77Å; V111-K134 PolarHBondContact N-O 2.71Å; V111-L135 HydrophobicContact CB-CD1 4.1Å; V111-L135 HydrophobicContact CG1-CD1 4.25Å; V111-L135 CarbonylContact O-C 3.6Å; V111-L135 WeakPolarHBondContact O-CA 3.45Å; V111-E136 PolarHBondContact O-N 2.96Å
112L97.8Very high94.8Very high14 Ų1432.1 Ų32.17%0.07317%0.166CC..EExtended strand (participates in β ladder)trans-119.1126.4167.7-178.7163.2000109.3V83 K84 I85 R114 E136V83-L112 PolarHBondContact O-N 2.92Å; K84-L112 CarbonylContact C-O 3.5Å; K84-L112 WeakPolarHBondContact CA-O 3.34Å; K84-L112 HydrophobicContact CB-CB 4.14Å; K84-L112 HydrophobicContact CB-CD2 4.41Å; K84-L112 HydrophobicContact CD-CD1 4.42Å; K84-L112 HydrophobicContact CG-CB 3.97Å; I85-L112 PolarHBondContact N-O 2.92Å; L112-R114 HydrophobicContact CD2-CB 4.37Å; L112-E136 CarbonylContact C-O 3.48Å; L112-E136 WeakPolarHBondContact CA-O 3.26Å; L112-E136 HydrophobicContact CB-CB 4.02Å; L112-E136 HydrophobicContact CD1-CB 4.38Å; L112-E136 WeakPolarHBondContact CD1-OE2 3.46Å; L112-E136 HydrophobicContact CG-CB 3.89Å
113I97.6Very high94.5Very high0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-126.9118.7174-64.7161.6000107.5I85 F87 I94 L98 F102 V111 F124 E136 L137 I138 T140I85-I113 WeakPolarHBondContact O-CA 3.26Å; F87-I113 HydrophobicContact CD2-CG2 3.97Å; F87-I113 HydrophobicContact CE2-CG2 4.02Å; I94-I113 HydrophobicContact CD1-CG2 3.87Å; L98-I113 HydrophobicContact CD1-CD1 3.56Å; L98-I113 HydrophobicContact CD1-CG1 4.31Å; F102-I113 HydrophobicContact CZ-CD1 4.39Å; V111-I113 HydrophobicContact CG1-CD1 3.83Å; V111-I113 HydrophobicContact CG1-CG1 3.92Å; I113-F124 HydrophobicContact CD1-CE2 3.78Å; I113-F124 HydrophobicContact CD1-CZ 3.61Å; I113-E136 PolarHBondContact N-O 3.17Å; I113-L137 HydrophobicContact CB-CD2 4.06Å; I113-L137 HydrophobicContact CD1-CD2 4.04Å; I113-L137 WeakPolarHBondContact O-CA 3.39Å; I113-I138 PolarHBondContact O-N 2.85Å; I113-T140 HydrophobicContact CG2-CG2 4.19Å
114R97.2Very high94.6Very high96 Ų9626.5 Ų26.536%0.36215%0.146SC..EExtended strand (participates in β ladder)trans-107.6134.3171.4-172.1179.3-166.7149.55.2110.2I85 E86 F87 L112 I138 E139I85-R114 PolarHBondContact O-N 3.29Å; E86-R114 HydrophobicContact CB-CB 4.44Å; E86-R114 HydrophobicContact CG-CB 4.22Å; E86-R114 HydrophobicContact CG-CG 4.45Å; F87-R114 PolarHBondContact N-O 2.77Å; L112-R114 HydrophobicContact CD2-CB 4.37Å; R114-I138 CarbonylContact C-O 3.47Å; R114-I138 VanDerWaalsContact CA-O 3.27Å; R114-I138 WeakPolarHBondContact CA-O 3.36Å; R114-I138 HydrophobicContact CB-CB 4.45Å; R114-I138 HydrophobicContact CG-CB 4.26Å; R114-I138 HydrophobicContact CG-CG2 4.25Å; R114-E139 IonicContact CZ-OE1 3.98Å; R114-E139 IonicContact CZ-OE2 2.7Å; R114-E139 IonicContact NE-OE1 2.94Å; R114-E139 IonicContact NE-OE2 3.64Å; R114-E139 PolarHBondContact NE-OE2 3.28Å; R114-E139 IonicContact NH2-OE1 3.9Å; R114-E139 PolarHBondContact NH2-OE1 3.46Å; R114-E139 IonicContact NH2-OE2 3.58Å; R114-E139 PolarHBondContact NH2-OE2 3.17Å
115G96.1Very high94.5Very high2 Ų223.4 Ų23.42%0.02113%0.13CC..SBendtrans71.8-175175.100000114.5I138 E139G115-I138 PolarHBondContact N-O 3.36Å; G115-E139 WeakPolarHBondContact CA-O 3.41Å
116G95.8Very high94.4Very high1 Ų128.4 Ų28.41%0.0115%0.149CC..SBendtrans74.9168.4177.400000115.1S91 V141S91-G116 CarbonylContact O-C 3.51Å; S91-G116 WeakPolarHBondContact O-CA 3.46Å; G116-V141 PolarHBondContact O-N 2.93Å; G116-V141 VanDerWaalsContact O-N 3.07Å
117S96.7Very high94.7Very high10 Ų1029 Ų297%0.0714%0.144CC..EExtended strand (participates in β ladder)trans-111.9118.7-175.41790000112.6S91 N93 I94 V141S91-S117 WeakPolarHBondContact O-CB 3.5Å; S91-S117 PolarHBondContact O-N 2.95Å; N93-S117 WeakPolarHBondContact CA-O 3.37Å; N93-S117 PolarHBondContact N-O 3.41Å; I94-S117 PolarHBondContact N-O 3Å; S117-V141 CarbonylContact C-O 3.56Å; S117-V141 VanDerWaalsContact CA-O 3.22Å; S117-V141 WeakPolarHBondContact CA-O 3.38Å; S117-V141 VanDerWaalsContact CB-CG2 3.5Å
118I96.9Very high94.8Very high0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-72.7121.4167.2-58.3164.7000108I94 E95 F124 V141 A142 K143 W170I94-I118 HydrophobicContact CD1-CG1 3.81Å; I94-I118 HydrophobicContact CG1-CG1 4.04Å; E95-I118 WeakPolarHBondContact OE2-CA 3.2Å; I118-F124 HydrophobicContact CD1-CD1 3.78Å; I118-F124 HydrophobicContact CD1-CE1 3.71Å; I118-F124 HydrophobicContact CD1-CG 4.22Å; I118-F124 HydrophobicContact CD1-CZ 4.09Å; I118-F124 HydrophobicContact CG1-CD1 4.4Å; I118-F124 HydrophobicContact CG1-CD2 4.44Å; I118-F124 HydrophobicContact CG1-CE1 4.5Å; I118-F124 HydrophobicContact CG1-CG 4.34Å; I118-F124 HydrophobicContact CG2-CB 3.69Å; I118-F124 HydrophobicContact CG2-CD1 4.4Å; I118-F124 HydrophobicContact CG2-CG 3.98Å; I118-V141 PolarHBondContact N-O 3.07Å; I118-A142 HydrophobicContact CB-CB 4.32Å; I118-A142 WeakPolarHBondContact O-CA 3.41Å; I118-K143 PolarHBondContact O-N 2.64Å; I118-W170 HydrophobicContact CD1-CZ2 4Å
119N95.8Very high94.6Very high71 Ų7127.7 Ų27.738%0.3814%0.136SC..EExtended strand (participates in β ladder)trans-77.7-42.9179.3-17673.9000111.5N93 E95 N144N93-N119 HydrophobicContact CB-CB 4.05Å; E95-N119 VanDerWaalsContact CD-N 3.33Å; E95-N119 VanDerWaalsContact OE1-CA 3.25Å; E95-N119 WeakPolarHBondContact OE1-CA 3.46Å; E95-N119 WeakPolarHBondContact OE1-CB 3.33Å; E95-N119 PolarHBondContact OE1-N 3.12Å; E95-N119 PolarHBondContact OE2-N 3.19Å; N119-N144 VanDerWaalsContact O-CB 3.29Å; N119-N144 WeakPolarHBondContact O-CB 3.27Å; N119-N144 PolarHBondContact O-N 3.18Å
120N93.9Very high94.3Very high31 Ų3129.6 Ų29.617%0.16614%0.144CC..EExtended strand (participates in β ladder)trans-137.4112.4177.1-176.7-51.9000111.3E95 Q122 N123 F124 N144E95-N120 PolarHBondContact OE1-N 3.28Å; N120-Q122 PolarHBondContact O-N 3.24Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.38Å; N120-Q122 PolarHBondContact OD1-N 3.49Å; N120-N123 HydrophobicContact CB-CB 4.22Å; N120-N123 PolarHBondContact O-N 3.03Å; N120-N123 PolarHBondContact OD1-N 3.44Å; N120-F124 WeakPolarHBondContact O-CB 3.47Å; N120-F124 PolarHBondContact O-N 3.2Å; N120-N144 PolarHBondContact ND2-ND2 3.21Å
121F94.2Very high94Very high0 Ų035.3 Ų35.30%017%0.165CC..Hα-helixtrans-62.9-40.6-177.8176.7-105.6000113.6N123 F124 I125 N144 V147 W170 H175 A178 L179F121-N123 VanDerWaalsContact C-N 3.3Å; F121-N123 PolarHBondContact O-N 3.07Å; F121-F124 HydrophobicContact CD2-CD1 4.32Å; F121-F124 WeakPolarHBondContact O-CB 3.15Å; F121-F124 PolarHBondContact O-N 2.7Å; F121-F124 VanDerWaalsContact O-N 3.14Å; F121-I125 HydrophobicContact CZ-CD1 4.29Å; F121-I125 PolarHBondContact O-N 3Å; F121-N144 PolarHBondContact N-O 3.14Å; F121-N144 VanDerWaalsContact N-O 3.08Å; F121-V147 HydrophobicContact CD1-CG2 3.82Å; F121-V147 HydrophobicContact CE1-CG2 3.82Å; F121-W170 HydrophobicContact CB-CZ3 4.48Å; F121-W170 AromaticContact CD2-CH2 3.33Å; F121-W170 HydrophobicContact CD2-CH2 3.33Å; F121-W170 HydrophobicContact CD2-CZ2 4.44Å; F121-W170 AromaticContact CD2-CZ3 3.69Å; F121-W170 HydrophobicContact CD2-CZ3 3.69Å; F121-W170 AromaticContact CE2-CH2 3.53Å; F121-W170 HydrophobicContact CE2-CH2 3.53Å; F121-W170 HydrophobicContact CE2-CZ3 4.08Å; F121-W170 HydrophobicContact CG-CH2 4.15Å; F121-W170 HydrophobicContact CG-CZ3 4.05Å; F121-W170 HydrophobicContact CZ-CH2 4.46Å; F121-H175 AromaticContact CD1-CD2 3.72Å; F121-H175 HydrophobicContact CE1-CB 4.18Å; F121-H175 AromaticContact CE1-CD2 3.88Å; F121-H175 HydrophobicContact CZ-CB 4.14Å; F121-A178 HydrophobicContact CE1-CB 4Å; F121-A178 HydrophobicContact CZ-CB 4.35Å; F121-L179 HydrophobicContact CE2-CD1 4.33Å; F121-L179 HydrophobicContact CE2-CD2 4.13Å; F121-L179 HydrophobicContact CE2-CG 4.25Å; F121-L179 HydrophobicContact CZ-CD1 4.31Å; F121-L179 HydrophobicContact CZ-CD2 4.05Å; F121-L179 HydrophobicContact CZ-CG 3.89Å
122Q90.5Very high93.9Very high13 Ų1335.3 Ų35.36%0.06117%0.165CC..Hα-helixtrans-61.4-37.8178.6-172.665.251.900112.4N120 I125 R126 S151N120-Q122 PolarHBondContact O-N 3.24Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.38Å; N120-Q122 PolarHBondContact OD1-N 3.49Å; Q122-I125 WeakPolarHBondContact O-CG2 3.42Å; Q122-R126 WeakPolarHBondContact O-CG 3.45Å; Q122-S151 PolarHBondContact NE2-OG 3.19Å; Q122-S151 PolarHBondContact OE1-OG 3.09Å
123N89.9Confident93.8Very high79 Ų7938 Ų3842%0.42218%0.177SC..Hα-helixtrans-74.4-36.6175.2-71.7-17.6000111.7N120 F121 R126N120-N123 HydrophobicContact CB-CB 4.22Å; N120-N123 PolarHBondContact O-N 3.03Å; N120-N123 PolarHBondContact OD1-N 3.44Å; F121-N123 VanDerWaalsContact C-N 3.3Å; F121-N123 PolarHBondContact O-N 3.07Å; N123-R126 PolarHBondContact O-N 3.03Å
124F94Very high93.8Very high0 Ų042.4 Ų42.40%020%0.197CC..Hα-helixtrans-63.1-47.2179174-108.2000112.5E95 L98 I113 I118 N120 F121 R126 L127 F128 L137E95-F124 HydrophobicContact CB-CB 4.29Å; E95-F124 HydrophobicContact CB-CD2 3.86Å; L98-F124 HydrophobicContact CD1-CE2 3.84Å; I113-F124 HydrophobicContact CD1-CE2 3.78Å; I113-F124 HydrophobicContact CD1-CZ 3.61Å; I118-F124 HydrophobicContact CD1-CD1 3.78Å; I118-F124 HydrophobicContact CD1-CE1 3.71Å; I118-F124 HydrophobicContact CD1-CG 4.22Å; I118-F124 HydrophobicContact CD1-CZ 4.09Å; I118-F124 HydrophobicContact CG1-CD1 4.4Å; I118-F124 HydrophobicContact CG1-CD2 4.44Å; I118-F124 HydrophobicContact CG1-CE1 4.5Å; I118-F124 HydrophobicContact CG1-CG 4.34Å; I118-F124 HydrophobicContact CG2-CB 3.69Å; I118-F124 HydrophobicContact CG2-CD1 4.4Å; I118-F124 HydrophobicContact CG2-CG 3.98Å; N120-F124 WeakPolarHBondContact O-CB 3.47Å; N120-F124 PolarHBondContact O-N 3.2Å; F121-F124 HydrophobicContact CD2-CD1 4.32Å; F121-F124 WeakPolarHBondContact O-CB 3.15Å; F121-F124 PolarHBondContact O-N 2.7Å; F121-F124 VanDerWaalsContact O-N 3.14Å; F124-R126 PolarHBondContact O-N 3.42Å; F124-L127 HydrophobicContact CD2-CD1 4.37Å; F124-L127 VanDerWaalsContact O-CB 3.27Å; F124-L127 WeakPolarHBondContact O-CB 3.37Å; F124-L127 WeakPolarHBondContact O-CG 3.45Å; F124-L127 PolarHBondContact O-N 2.75Å; F124-F128 HydrophobicContact CD1-CE2 4.22Å; F124-F128 HydrophobicContact CD1-CZ 4.3Å; F124-F128 AromaticContact CE1-CE2 3.85Å; F124-F128 HydrophobicContact CE1-CE2 3.85Å; F124-F128 AromaticContact CE1-CZ 3.57Å; F124-F128 HydrophobicContact CE1-CZ 3.57Å; F124-F128 HydrophobicContact CE2-CZ 4.23Å; F124-F128 HydrophobicContact CZ-CE1 4.37Å; F124-F128 HydrophobicContact CZ-CE2 4.26Å; F124-F128 AromaticContact CZ-CZ 3.54Å; F124-F128 HydrophobicContact CZ-CZ 3.54Å; F124-L137 HydrophobicContact CE1-CD1 3.89Å; F124-L137 HydrophobicContact CE1-CD2 3.94Å; F124-L137 HydrophobicContact CZ-CD2 3.73Å
125I91.9Very high93.8Very high0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-63.1-28.3-179.4-164.4174.2000112.7F121 Q122 L127 F128 V155 F158 A178 L179F121-I125 HydrophobicContact CZ-CD1 4.29Å; F121-I125 PolarHBondContact O-N 3Å; Q122-I125 WeakPolarHBondContact O-CG2 3.42Å; I125-L127 PolarHBondContact O-N 2.86Å; I125-F128 HydrophobicContact CG1-CD2 4.18Å; I125-F128 HydrophobicContact CG1-CE2 4.47Å; I125-F128 WeakPolarHBondContact O-CD2 3.16Å; I125-F128 PolarHBondContact O-N 3.21Å; I125-V155 HydrophobicContact CD1-CG1 3.85Å; I125-V155 HydrophobicContact CG1-CG1 3.78Å; I125-V155 HydrophobicContact CG2-CG1 4.3Å; I125-V155 HydrophobicContact CG2-CG2 4Å; I125-F158 HydrophobicContact CD1-CZ 4.4Å; I125-F158 HydrophobicContact CG1-CE1 4.5Å; I125-F158 HydrophobicContact CG1-CZ 4.31Å; I125-A178 HydrophobicContact CD1-CB 4.05Å; I125-A178 VanDerWaalsContact CD1-O 3.25Å; I125-A178 WeakPolarHBondContact CD1-O 3.28Å; I125-L179 HydrophobicContact CD1-CD2 3.84Å; I125-L179 HydrophobicContact CD1-CG 4.41Å; I125-L179 HydrophobicContact CG1-CD2 4.07Å
126R90.7Very high93.9Very high106 Ų10638.6 Ų38.640%0.418%0.182SC..THydrogen-bonded Turntrans-71-11.4175.2-72173.5168.7165.3-3.7113.9Q122 N123 F124 F128 S154Q122-R126 WeakPolarHBondContact O-CG 3.45Å; N123-R126 PolarHBondContact O-N 3.03Å; F124-R126 PolarHBondContact O-N 3.42Å; R126-F128 VanDerWaalsContact C-N 3.31Å; R126-S154 PolarHBondContact NE-OG 3.03Å; R126-S154 PolarHBondContact NH2-OG 3.19Å
127L92.7Very high94Very high46 Ų4638.5 Ų38.524%0.24118%0.182CC..THydrogen-bonded Turntrans-77.6-19.4177.8-59.2-175.1000113E95 L98 A99 F102 F124 I125E95-L127 HydrophobicContact CB-CD1 3.78Å; L98-L127 HydrophobicContact CB-CD1 4.32Å; A99-L127 HydrophobicContact CB-CD1 4.02Å; A99-L127 HydrophobicContact CB-CD2 3.61Å; A99-L127 HydrophobicContact CB-CG 4.48Å; F102-L127 HydrophobicContact CD2-CB 3.87Å; F124-L127 HydrophobicContact CD2-CD1 4.37Å; F124-L127 VanDerWaalsContact O-CB 3.27Å; F124-L127 WeakPolarHBondContact O-CB 3.37Å; F124-L127 WeakPolarHBondContact O-CG 3.45Å; F124-L127 PolarHBondContact O-N 2.75Å; I125-L127 PolarHBondContact O-N 2.86Å
128F92.7Very high94.1Very high9 Ų939 Ų394%0.03918%0.183CC..SBendtrans-72.7151.8-174.8-64.9-54000112.3F102 V111 F124 I125 R126 L132 L135 P156 F158F102-F128 HydrophobicContact CD2-CD1 4.42Å; F102-F128 AromaticContact CE2-CD1 4Å; F102-F128 HydrophobicContact CE2-CD1 4Å; F102-F128 AromaticContact CE2-CE1 3.85Å; F102-F128 HydrophobicContact CE2-CE1 3.85Å; V111-F128 HydrophobicContact CB-CE1 4.35Å; V111-F128 HydrophobicContact CG1-CE1 4.05Å; V111-F128 HydrophobicContact CG2-CD1 4.43Å; F124-F128 HydrophobicContact CD1-CE2 4.22Å; F124-F128 HydrophobicContact CD1-CZ 4.3Å; F124-F128 AromaticContact CE1-CE2 3.85Å; F124-F128 HydrophobicContact CE1-CE2 3.85Å; F124-F128 AromaticContact CE1-CZ 3.57Å; F124-F128 HydrophobicContact CE1-CZ 3.57Å; F124-F128 HydrophobicContact CE2-CZ 4.23Å; F124-F128 HydrophobicContact CZ-CE1 4.37Å; F124-F128 HydrophobicContact CZ-CE2 4.26Å; F124-F128 AromaticContact CZ-CZ 3.54Å; F124-F128 HydrophobicContact CZ-CZ 3.54Å; I125-F128 HydrophobicContact CG1-CD2 4.18Å; I125-F128 HydrophobicContact CG1-CE2 4.47Å; I125-F128 WeakPolarHBondContact O-CD2 3.16Å; I125-F128 PolarHBondContact O-N 3.21Å; R126-F128 VanDerWaalsContact C-N 3.31Å; F128-L132 HydrophobicContact CB-CD2 3.84Å; F128-L132 HydrophobicContact CD1-CD2 3.81Å; F128-L132 HydrophobicContact CD2-CD2 4.34Å; F128-L132 HydrophobicContact CE1-CD2 4.48Å; F128-L132 HydrophobicContact CG-CD2 3.74Å; F128-L135 HydrophobicContact CE1-CD1 3.7Å; F128-L135 HydrophobicContact CE2-CD1 4.37Å; F128-L135 HydrophobicContact CE2-CD2 4.05Å; F128-L135 HydrophobicContact CZ-CD1 3.62Å; F128-L135 HydrophobicContact CZ-CD2 4.1Å; F128-P156 WeakPolarHBondContact O-CG 3.5Å; F128-F158 HydrophobicContact CB-CD1 4.15Å; F128-F158 HydrophobicContact CB-CE1 4.06Å; F128-F158 HydrophobicContact CD2-CE1 4.41Å
129S90Very high94Very high17 Ų1742.4 Ų42.412%0.11920%0.199CC..  trans-78150.5175.8179.50000110.8G106 Y131 L132G106-S129 PolarHBondContact O-OG 3.19Å; S129-Y131 PolarHBondContact O-N 3Å; S129-Y131 VanDerWaalsContact O-N 3.16Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.4Å; S129-Y131 PolarHBondContact OG-N 3.14Å; S129-L132 VanDerWaalsContact O-CB 3.32Å; S129-L132 WeakPolarHBondContact O-CB 3.27Å; S129-L132 PolarHBondContact O-N 3.37Å; S129-L132 VanDerWaalsContact O-N 3.14Å
130D90Very high94.1Very high98 Ų9839.1 Ų39.152%0.52418%0.182SC..THydrogen-bonded Turntrans-60.7-18.1168.8-69.1-48.2000112.7P156 R157 F158D130-P156 WeakPolarHBondContact OD1-CA 3.31Å; D130-P156 WeakPolarHBondContact OD1-CB 3.43Å; D130-R157 PolarHBondContact OD1-N 2.98Å; D130-F158 WeakPolarHBondContact O-CA 3.43Å
131Y92.6Very high94.2Very high147 Ų14741 Ų4158%0.57619%0.194SC*.THydrogen-bonded Turntrans-89.12.5178.4-59.3-77.8000113.7V107 L108 T109 S129 E133V107-Y131 HydrophobicContact CB-CD2 4.24Å; V107-Y131 HydrophobicContact CG1-CD2 4.1Å; V107-Y131 HydrophobicContact CG1-CE2 4.09Å; L108-Y131 CarbonylContact O-C 3.58Å; T109-Y131 WeakPolarHBondContact CA-O 3.02Å; S129-Y131 PolarHBondContact O-N 3Å; S129-Y131 VanDerWaalsContact O-N 3.16Å; S129-Y131 WeakPolarHBondContact OG-CD2 3.4Å; S129-Y131 PolarHBondContact OG-N 3.14Å; Y131-E133 WeakPolarHBondContact O-CG 3.29Å; Y131-E133 PolarHBondContact O-N 2.84Å
132L94.7Very high94.2Very high1 Ų141.1 Ų41.11%0.00520%0.195CC..  trans-62.7123.6-176.3-170.968.5000110.9L108 V111 F128 S129 K134 L135 F158 L160L108-L132 WeakPolarHBondContact O-CA 3.48Å; L108-L132 PolarHBondContact O-N 3.47Å; V111-L132 HydrophobicContact CB-CD1 4.12Å; V111-L132 HydrophobicContact CG2-CD1 3.77Å; F128-L132 HydrophobicContact CB-CD2 3.84Å; F128-L132 HydrophobicContact CD1-CD2 3.81Å; F128-L132 HydrophobicContact CD2-CD2 4.34Å; F128-L132 HydrophobicContact CE1-CD2 4.48Å; F128-L132 HydrophobicContact CG-CD2 3.74Å; S129-L132 VanDerWaalsContact O-CB 3.32Å; S129-L132 WeakPolarHBondContact O-CB 3.27Å; S129-L132 PolarHBondContact O-N 3.37Å; S129-L132 VanDerWaalsContact O-N 3.14Å; L132-K134 WeakPolarHBondContact CD1-O 3.2Å; L132-L135 HydrophobicContact CD2-CB 4.13Å; L132-L135 HydrophobicContact CD2-CD1 4.34Å; L132-L135 HydrophobicContact CD2-CD2 4.39Å; L132-F158 HydrophobicContact CB-CB 3.85Å; L132-F158 HydrophobicContact CB-CD1 4.4Å; L132-F158 HydrophobicContact CB-CG 4.2Å; L132-F158 HydrophobicContact CD2-CD1 4.46Å; L132-F158 WeakPolarHBondContact O-CB 3.35Å; L132-L160 HydrophobicContact CB-CD2 4.42Å; L132-L160 HydrophobicContact CD2-CD2 3.93Å; L132-L160 HydrophobicContact CG-CD2 3.76Å
133E95.9Very high94.4Very high70 Ų7046.3 Ų46.333%0.32722%0.218SC..  trans-115-28.4178.2-56.7-164.715400112.3T109 Y131 K161 Y162T109-E133 PolarHBondContact O-N 3.16Å; Y131-E133 WeakPolarHBondContact O-CG 3.29Å; Y131-E133 PolarHBondContact O-N 2.84Å; E133-K161 HydrophobicContact CB-CD 4.4Å; E133-K161 PolarHBondContact O-N 3.1Å; E133-K161 IonicContact OE1-NZ 2.83Å; E133-K161 PolarHBondContact OE1-NZ 3.49Å; E133-K161 IonicContact OE2-NZ 3.28Å; E133-K161 PolarHBondContact OE2-NZ 3.16Å; E133-Y162 PolarHBondContact O-N 2.8Å
134K97.8Very high94.5Very high94 Ų9445.9 Ų45.941%0.40922%0.215SC..EExtended strand (participates in β ladder)trans-129.7122.1-179.6-55.2-165177.5-175.90110.7T109 H110 V111 L132 Y162T109-K134 PolarHBondContact O-N 3.3Å; H110-K134 WeakPolarHBondContact CA-O 3.47Å; H110-K134 HydrophobicContact CB-CB 4.14Å; V111-K134 PolarHBondContact N-O 2.71Å; L132-K134 WeakPolarHBondContact CD1-O 3.2Å; K134-Y162 WeakPolarHBondContact CA-O 3.33Å
135L97.7Very high94.3Very high0 Ų050 Ų500%023%0.231CC..EExtended strand (participates in β ladder)trans-125.6129.7175.8-178.759.4000111V111 F128 L132 L137 L160 Y162 L163 K164 L179V111-L135 HydrophobicContact CB-CD1 4.1Å; V111-L135 HydrophobicContact CG1-CD1 4.25Å; V111-L135 CarbonylContact O-C 3.6Å; V111-L135 WeakPolarHBondContact O-CA 3.45Å; F128-L135 HydrophobicContact CE1-CD1 3.7Å; F128-L135 HydrophobicContact CE2-CD1 4.37Å; F128-L135 HydrophobicContact CE2-CD2 4.05Å; F128-L135 HydrophobicContact CZ-CD1 3.62Å; F128-L135 HydrophobicContact CZ-CD2 4.1Å; L132-L135 HydrophobicContact CD2-CB 4.13Å; L132-L135 HydrophobicContact CD2-CD1 4.34Å; L132-L135 HydrophobicContact CD2-CD2 4.39Å; L135-L137 HydrophobicContact CD1-CD2 3.92Å; L135-L137 HydrophobicContact CD1-CG 4.19Å; L135-L137 HydrophobicContact CD2-CD1 4.41Å; L135-L137 HydrophobicContact CD2-CG 4.45Å; L135-L137 HydrophobicContact CG-CD2 4.47Å; L135-L137 HydrophobicContact CG-CG 4.2Å; L135-L160 HydrophobicContact CB-CD1 4.33Å; L135-L160 HydrophobicContact CB-CD2 3.99Å; L135-Y162 PolarHBondContact N-O 2.95Å; L135-L163 HydrophobicContact CB-CD1 3.97Å; L135-L163 HydrophobicContact CD2-CD1 4.01Å; L135-L163 HydrophobicContact CG-CD1 4.09Å; L135-L163 CarbonylContact O-C 3.58Å; L135-L163 WeakPolarHBondContact O-CA 3.31Å; L135-K164 PolarHBondContact O-N 2.94Å; L135-L179 HydrophobicContact CD2-CD2 3.79Å
136E98.3Very high94.2Very high17 Ų1752.9 Ų52.98%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-129.3115.5176.3-51.8-177.6-124.300109.4H110 V111 L112 I113 I138 Y162 K164H110-E136 IonicContact CD2-OE1 2.7Å; H110-E136 IonicContact CE1-OE1 2.69Å; H110-E136 PolarHBondContact CE1-OE1 3.3Å; H110-E136 IonicContact NE2-OE1 3.85Å; H110-E136 PolarHBondContact NE2-OE1 3.4Å; V111-E136 PolarHBondContact O-N 2.96Å; L112-E136 CarbonylContact C-O 3.48Å; L112-E136 WeakPolarHBondContact CA-O 3.26Å; L112-E136 HydrophobicContact CB-CB 4.02Å; L112-E136 HydrophobicContact CD1-CB 4.38Å; L112-E136 WeakPolarHBondContact CD1-OE2 3.46Å; L112-E136 HydrophobicContact CG-CB 3.89Å; I113-E136 PolarHBondContact N-O 3.17Å; E136-I138 HydrophobicContact CB-CD1 4.48Å; E136-I138 HydrophobicContact CB-CG1 4.44Å; E136-Y162 HydrophobicContact CG-CD1 4.23Å; E136-Y162 HydrophobicContact CG-CE1 3.81Å; E136-K164 CarbonylContact C-O 3.58Å; E136-K164 VanDerWaalsContact CA-O 3.26Å; E136-K164 WeakPolarHBondContact CA-O 3.33Å; E136-K164 HydrophobicContact CB-CB 4.27Å; E136-K164 HydrophobicContact CG-CB 4.05Å
137L97.8Very high93.9Very high0 Ų049.2 Ų49.20%024%0.24CC..EExtended strand (participates in β ladder)trans-11897.9173.5-54.3179.1000108I113 F124 L135 T140 K164 L165 S168 L179I113-L137 HydrophobicContact CB-CD2 4.06Å; I113-L137 HydrophobicContact CD1-CD2 4.04Å; I113-L137 WeakPolarHBondContact O-CA 3.39Å; F124-L137 HydrophobicContact CE1-CD1 3.89Å; F124-L137 HydrophobicContact CE1-CD2 3.94Å; F124-L137 HydrophobicContact CZ-CD2 3.73Å; L135-L137 HydrophobicContact CD1-CD2 3.92Å; L135-L137 HydrophobicContact CD1-CG 4.19Å; L135-L137 HydrophobicContact CD2-CD1 4.41Å; L135-L137 HydrophobicContact CD2-CG 4.45Å; L135-L137 HydrophobicContact CG-CD2 4.47Å; L135-L137 HydrophobicContact CG-CG 4.2Å; L137-T140 HydrophobicContact CB-CG2 4.11Å; L137-K164 PolarHBondContact N-O 3.38Å; L137-L165 HydrophobicContact CB-CD2 3.78Å; L137-L165 HydrophobicContact CD1-CD2 3.82Å; L137-L165 HydrophobicContact CG-CD2 3.98Å; L137-L165 CarbonylContact O-C 3.58Å; L137-L165 VanDerWaalsContact O-C 3.27Å; L137-L165 VanDerWaalsContact O-CA 3.26Å; L137-L165 WeakPolarHBondContact O-CA 3.36Å; L137-S168 PolarHBondContact O-OG 3.44Å; L137-L179 HydrophobicContact CD1-CD1 4.24Å
138I97.3Very high93.4Very high19 Ų1950.6 Ų50.610%0.09725%0.248CC..EExtended strand (participates in β ladder)trans-108.9131.3-171.7-54.6-178.6000109I113 R114 G115 E136 T140 K164 S166I113-I138 PolarHBondContact O-N 2.85Å; R114-I138 CarbonylContact C-O 3.47Å; R114-I138 VanDerWaalsContact CA-O 3.27Å; R114-I138 WeakPolarHBondContact CA-O 3.36Å; R114-I138 HydrophobicContact CB-CB 4.45Å; R114-I138 HydrophobicContact CG-CB 4.26Å; R114-I138 HydrophobicContact CG-CG2 4.25Å; G115-I138 PolarHBondContact N-O 3.36Å; E136-I138 HydrophobicContact CB-CD1 4.48Å; E136-I138 HydrophobicContact CB-CG1 4.44Å; I138-T140 PolarHBondContact O-N 2.64Å; I138-K164 HydrophobicContact CD1-CD 4.16Å; I138-K164 HydrophobicContact CG1-CG 4.49Å; I138-S166 WeakPolarHBondContact CA-O 3.38Å; I138-S166 WeakPolarHBondContact CG1-OG 3.08Å
139E96.6Very high92.7Very high73 Ų7354.5 Ų54.534%0.34127%0.274SS..SBendtrans54.627.1175.7-63.9164-172.800113.6R114 G115 S166 D167R114-E139 IonicContact CZ-OE1 3.98Å; R114-E139 IonicContact CZ-OE2 2.7Å; R114-E139 IonicContact NE-OE1 2.94Å; R114-E139 IonicContact NE-OE2 3.64Å; R114-E139 PolarHBondContact NE-OE2 3.28Å; R114-E139 IonicContact NH2-OE1 3.9Å; R114-E139 PolarHBondContact NH2-OE1 3.46Å; R114-E139 IonicContact NH2-OE2 3.58Å; R114-E139 PolarHBondContact NH2-OE2 3.17Å; G115-E139 WeakPolarHBondContact CA-O 3.41Å; E139-S166 PolarHBondContact N-O 2.83Å; E139-D167 HydrophobicContact CG-CB 3.8Å
140T96.6Very high92.1Very high1 Ų162.1 Ų62.11%0.00631%0.308CS..  trans-85.1155.6-179.666.70000110.6I113 L137 I138 S168 W170I113-T140 HydrophobicContact CG2-CG2 4.19Å; L137-T140 HydrophobicContact CB-CG2 4.11Å; I138-T140 PolarHBondContact O-N 2.64Å; T140-S168 PolarHBondContact N-OG 2.87Å; T140-S168 PolarHBondContact OG1-OG 3.03Å; T140-W170 PolarHBondContact O-NE1 2.87Å; T140-W170 PolarHBondContact OG1-NE1 3.08Å; T140-W170 VanDerWaalsContact OG1-NE1 3.09Å
141V95.9Very high91.4Very high70 Ų7058 Ų5842%0.42429%0.287SS..EExtended strand (participates in β ladder)trans-126.7140.9171.2-60.50000111.9G116 S117 I118G116-V141 PolarHBondContact O-N 2.93Å; G116-V141 VanDerWaalsContact O-N 3.07Å; S117-V141 CarbonylContact C-O 3.56Å; S117-V141 VanDerWaalsContact CA-O 3.22Å; S117-V141 WeakPolarHBondContact CA-O 3.38Å; S117-V141 VanDerWaalsContact CB-CG2 3.5Å; I118-V141 PolarHBondContact N-O 3.07Å
142A95.3Very high90.3Very high4 Ų452.1 Ų52.13%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-113.2131174.400000112.5I118 R145 W170I118-A142 HydrophobicContact CB-CB 4.32Å; I118-A142 WeakPolarHBondContact O-CA 3.41Å; A142-R145 HydrophobicContact CB-CG 4Å; A142-R145 PolarHBondContact O-NE 3.33Å; A142-W170 HydrophobicContact CB-CB 4.43Å; A142-W170 HydrophobicContact CB-CD2 3.37Å; A142-W170 HydrophobicContact CB-CE3 3.36Å; A142-W170 HydrophobicContact CB-CG 3.86Å; A142-W170 HydrophobicContact CB-CH2 4.25Å; A142-W170 HydrophobicContact CB-CZ2 4.26Å; A142-W170 HydrophobicContact CB-CZ3 3.8Å
143K93.4Very high89.1Confident121 Ų12156 Ų5653%0.52629%0.29SS..EExtended strand (participates in β ladder)trans-79-67.6173.3-71.5-173.3178.5-175.60111.4I118I118-K143 PolarHBondContact O-N 2.64Å
144N91.7Very high87.5Confident70 Ų7055.8 Ų55.837%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-89.8112.3172.7-173.26000110.1N119 N120 F121 S146N119-N144 VanDerWaalsContact O-CB 3.29Å; N119-N144 WeakPolarHBondContact O-CB 3.27Å; N119-N144 PolarHBondContact O-N 3.18Å; N120-N144 PolarHBondContact ND2-ND2 3.21Å; F121-N144 PolarHBondContact N-O 3.14Å; F121-N144 VanDerWaalsContact N-O 3.08Å; N144-S146 PolarHBondContact ND2-OG 3.12Å; N144-S146 WeakPolarHBondContact OD1-CB 3.45Å; N144-S146 PolarHBondContact OD1-N 2.95Å; N144-S146 PolarHBondContact OD1-OG 2.9Å
145R90.9Very high86.3Confident88 Ų8852 Ų5233%0.33228%0.281SS..  trans-102.19.1-175.9-63.2178-156.2177.33.1112.3A142 V147 W170 H175A142-R145 HydrophobicContact CB-CG 4Å; A142-R145 PolarHBondContact O-NE 3.33Å; R145-V147 PolarHBondContact O-N 2.87Å; R145-W170 HydrophobicContact CG-CE3 4.33Å; R145-H175 WeakPolarHBondContact CB-NE2 3.28Å; R145-H175 PolarHBondContact O-NE2 2.92Å
146S88.8Confident84.9Confident59 Ų5953.2 Ų53.241%0.41329%0.29SS..  trans-62.3126.8176.9620000109.9N144N144-S146 PolarHBondContact ND2-OG 3.12Å; N144-S146 WeakPolarHBondContact OD1-CB 3.45Å; N144-S146 PolarHBondContact OD1-N 2.95Å; N144-S146 PolarHBondContact OD1-OG 2.9Å
147V84.7Confident83.9Confident29 Ų2962.9 Ų62.918%0.17633%0.325CS..  trans-109.8119.4163.6-179.30000105.5F121 R145 P149 L152 V174 A178F121-V147 HydrophobicContact CD1-CG2 3.82Å; F121-V147 HydrophobicContact CE1-CG2 3.82Å; R145-V147 PolarHBondContact O-N 2.87Å; V147-P149 WeakPolarHBondContact O-CD 3.43Å; V147-L152 HydrophobicContact CG1-CD1 4.08Å; V147-L152 HydrophobicContact CG1-CD2 3.81Å; V147-L152 HydrophobicContact CG1-CG 4.1Å; V147-V174 HydrophobicContact CG2-CG2 4.31Å; V147-A178 HydrophobicContact CG1-CB 4.18Å
148D83.4Confident83.1Confident75 Ų7563.8 Ų63.840%0.40133%0.329SS..  trans-93.1108.8174.4171.710000108.3E150 S151 L152D148-E150 PolarHBondContact O-N 3.38Å; D148-E150 WeakPolarHBondContact OD1-CB 3.32Å; D148-E150 PolarHBondContact OD1-N 2.99Å; D148-S151 WeakPolarHBondContact CB-OG 3.43Å; D148-S151 WeakPolarHBondContact O-CB 3.19Å; D148-S151 PolarHBondContact O-N 3.38Å; D148-S151 PolarHBondContact O-OG 2.89Å; D148-L152 PolarHBondContact O-N 3Å
149P76.3Confident82.6Confident92 Ų9266 Ų6660%0.59735%0.346SS*.G310 helixtrans-58.8-32.8-177.5-22.834.5000113.4V147 S151 L152V147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-S151 PolarHBondContact O-N 3.09Å; P149-L152 HydrophobicContact CB-CD1 4.47Å; P149-L152 WeakPolarHBondContact O-CB 3.12Å; P149-L152 PolarHBondContact O-N 2.69Å
150E77.3Confident82.6Confident176 Ų17662.6 Ų62.682%0.82233%0.331SS*.G310 helixtrans-68.5-24.4178.8-61.1-171171.200111.6D148 P153D148-E150 PolarHBondContact O-N 3.38Å; D148-E150 WeakPolarHBondContact OD1-CB 3.32Å; D148-E150 PolarHBondContact OD1-N 2.99Å; E150-P153 WeakPolarHBondContact O-CD 3.31Å
151S76.4Confident82.6Confident12 Ų1267 Ų678%0.08435%0.349CS..G310 helixtrans-90.2-13.6177.883.40000113.7Q122 D148 P149 P153 S154Q122-S151 PolarHBondContact NE2-OG 3.19Å; Q122-S151 PolarHBondContact OE1-OG 3.09Å; D148-S151 WeakPolarHBondContact CB-OG 3.43Å; D148-S151 WeakPolarHBondContact O-CB 3.19Å; D148-S151 PolarHBondContact O-N 3.38Å; D148-S151 PolarHBondContact O-OG 2.89Å; P149-S151 PolarHBondContact O-N 3.09Å; S151-P153 VanDerWaalsContact C-CD 3.43Å; S151-S154 WeakPolarHBondContact O-CB 3.35Å; S151-S154 PolarHBondContact O-N 3.45Å; S151-S154 PolarHBondContact O-OG 3.32Å
152L70.2Confident82.7Confident23 Ų2365.8 Ų65.812%0.1234%0.338CS..G310 helixtrans-58.7-35.3179.6-73172.9000114.2V147 D148 P149 S154 V155 A178 L182V147-L152 HydrophobicContact CG1-CD1 4.08Å; V147-L152 HydrophobicContact CG1-CD2 3.81Å; V147-L152 HydrophobicContact CG1-CG 4.1Å; D148-L152 PolarHBondContact O-N 3Å; P149-L152 HydrophobicContact CB-CD1 4.47Å; P149-L152 WeakPolarHBondContact O-CB 3.12Å; P149-L152 PolarHBondContact O-N 2.69Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-S154 VanDerWaalsContact O-N 3.14Å; L152-V155 HydrophobicContact CD2-CG2 4.25Å; L152-V155 VanDerWaalsContact O-CB 3.25Å; L152-V155 WeakPolarHBondContact O-CB 3.26Å; L152-V155 WeakPolarHBondContact O-CG2 3.49Å; L152-V155 PolarHBondContact O-N 3.25Å; L152-A178 HydrophobicContact CD2-CB 3.73Å; L152-L182 HydrophobicContact CB-CD1 4Å; L152-L182 HydrophobicContact CB-CD2 3.81Å; L152-L182 HydrophobicContact CB-CG 4.09Å; L152-L182 HydrophobicContact CD1-CD2 3.68Å; L152-L182 HydrophobicContact CG-CD2 4.37Å
153P67.5Low82.8Confident82 Ų8265.6 Ų65.653%0.53234%0.336SS..G310 helixtrans-61-20173.2-25.135.4000114.4E150 S151 V155 L182E150-P153 WeakPolarHBondContact O-CD 3.31Å; S151-P153 VanDerWaalsContact C-CD 3.43Å; P153-V155 VanDerWaalsContact C-N 3.31Å; P153-L182 HydrophobicContact CG-CD1 4.11Å
154S63.6Low83Confident66 Ų6660.4 Ų60.446%0.46231%0.314SS..G310 helixtrans-83.6-5.8174.974.80000113.8R126 S151 L152R126-S154 PolarHBondContact NE-OG 3.03Å; R126-S154 PolarHBondContact NH2-OG 3.19Å; S151-S154 WeakPolarHBondContact O-CB 3.35Å; S151-S154 PolarHBondContact O-N 3.45Å; S151-S154 PolarHBondContact O-OG 3.32Å; L152-S154 PolarHBondContact O-N 3.19Å; L152-S154 VanDerWaalsContact O-N 3.14Å
155V71.6Confident83.3Confident14 Ų1457 Ų579%0.08530%0.296CS..SBendtrans-76138.7175.8-179.90000108.7I125 L152 P153 R157 F158I125-V155 HydrophobicContact CD1-CG1 3.85Å; I125-V155 HydrophobicContact CG1-CG1 3.78Å; I125-V155 HydrophobicContact CG2-CG1 4.3Å; I125-V155 HydrophobicContact CG2-CG2 4Å; L152-V155 HydrophobicContact CD2-CG2 4.25Å; L152-V155 VanDerWaalsContact O-CB 3.25Å; L152-V155 WeakPolarHBondContact O-CB 3.26Å; L152-V155 WeakPolarHBondContact O-CG2 3.49Å; L152-V155 PolarHBondContact O-N 3.25Å; P153-V155 VanDerWaalsContact C-N 3.31Å; V155-R157 PolarHBondContact O-N 3.38Å; V155-F158 HydrophobicContact CG1-CE1 4.22Å; V155-F158 HydrophobicContact CG1-CZ 4.39Å
156P69.8Low83.6Confident27 Ų2753.4 Ų53.418%0.17528%0.284CS..  trans-44.7136.1172.8-32.137000112.6F128 D130 F158F128-P156 WeakPolarHBondContact O-CG 3.5Å; D130-P156 WeakPolarHBondContact OD1-CA 3.31Å; D130-P156 WeakPolarHBondContact OD1-CB 3.43Å; P156-F158 HydrophobicContact CB-CD1 3.88Å; P156-F158 HydrophobicContact CB-CE1 4.27Å; P156-F158 PolarHBondContact O-N 2.97Å
157R75.9Confident83.9Confident219 Ų21953.8 Ų53.883%0.82628%0.281SS*.  trans-8857.6-178.8-68.9-173.9-179.5-179.50.6110.3D130 V155D130-R157 PolarHBondContact OD1-N 2.98Å; V155-R157 PolarHBondContact O-N 3.38Å
158F82Confident84.4Confident19 Ų1952.4 Ų52.48%0.08327%0.273CS..  trans-70157.7175.148.1-111.8000111.6I125 F128 D130 L132 V155 P156 L160 L179I125-F158 HydrophobicContact CD1-CZ 4.4Å; I125-F158 HydrophobicContact CG1-CE1 4.5Å; I125-F158 HydrophobicContact CG1-CZ 4.31Å; F128-F158 HydrophobicContact CB-CD1 4.15Å; F128-F158 HydrophobicContact CB-CE1 4.06Å; F128-F158 HydrophobicContact CD2-CE1 4.41Å; D130-F158 WeakPolarHBondContact O-CA 3.43Å; L132-F158 HydrophobicContact CB-CB 3.85Å; L132-F158 HydrophobicContact CB-CD1 4.4Å; L132-F158 HydrophobicContact CB-CG 4.2Å; L132-F158 HydrophobicContact CD2-CD1 4.46Å; L132-F158 WeakPolarHBondContact O-CB 3.35Å; V155-F158 HydrophobicContact CG1-CE1 4.22Å; V155-F158 HydrophobicContact CG1-CZ 4.39Å; P156-F158 HydrophobicContact CB-CD1 3.88Å; P156-F158 HydrophobicContact CB-CE1 4.27Å; P156-F158 PolarHBondContact O-N 2.97Å; F158-L160 HydrophobicContact CD2-CD1 4.34Å; F158-L160 HydrophobicContact CD2-CD2 4.29Å; F158-L160 HydrophobicContact CD2-CG 3.78Å; F158-L160 HydrophobicContact CE2-CD1 4.13Å; F158-L160 HydrophobicContact CE2-CG 4.08Å; F158-L179 WeakPolarHBondContact CE2-O 3.48Å
159S87.4Confident84.8Confident66 Ų6650.4 Ų50.446%0.46227%0.265SS..  trans-121.376.2-177.6-168.40000108.7K161 S187S159-K161 PolarHBondContact O-N 3.07Å; S159-S187 WeakPolarHBondContact OG-CB 3.17Å; S159-S187 PolarHBondContact OG-OG 3.05Å
160L94.8Very high85.6Confident2 Ų246.1 Ų46.11%0.0124%0.237CC..  trans-60.3130.1-177.8-69.4-178.3000110.8L132 L135 F158 L163 L179 S187 L188L132-L160 HydrophobicContact CB-CD2 4.42Å; L132-L160 HydrophobicContact CD2-CD2 3.93Å; L132-L160 HydrophobicContact CG-CD2 3.76Å; L135-L160 HydrophobicContact CB-CD1 4.33Å; L135-L160 HydrophobicContact CB-CD2 3.99Å; F158-L160 HydrophobicContact CD2-CD1 4.34Å; F158-L160 HydrophobicContact CD2-CD2 4.29Å; F158-L160 HydrophobicContact CD2-CG 3.78Å; F158-L160 HydrophobicContact CE2-CD1 4.13Å; F158-L160 HydrophobicContact CE2-CG 4.08Å; L160-L163 HydrophobicContact CD1-CB 4.38Å; L160-L163 HydrophobicContact CD1-CD1 4.14Å; L160-L163 HydrophobicContact CD1-CD2 4.38Å; L160-L179 WeakPolarHBondContact CD1-O 3.3Å; L160-S187 CarbonylContact O-C 3.51Å; L160-S187 VanDerWaalsContact O-C 3.31Å; L160-S187 PolarHBondContact O-OG 2.79Å; L160-L188 HydrophobicContact CB-CD1 4.05Å; L160-L188 WeakPolarHBondContact O-CA 3.4Å; L160-L188 WeakPolarHBondContact O-CB 3.29Å; L160-L188 PolarHBondContact O-N 2.92Å
161K96.8Very high86.5Confident92 Ų9237.8 Ų37.840%0.420%0.198SC..SBendtrans-96.3-28.2168.1-61.7175.5-171.1160.10111.6E133 S159 S187 K189 Y190E133-K161 HydrophobicContact CB-CD 4.4Å; E133-K161 PolarHBondContact O-N 3.1Å; E133-K161 IonicContact OE1-NZ 2.83Å; E133-K161 PolarHBondContact OE1-NZ 3.49Å; E133-K161 IonicContact OE2-NZ 3.28Å; E133-K161 PolarHBondContact OE2-NZ 3.16Å; S159-K161 PolarHBondContact O-N 3.07Å; K161-S187 WeakPolarHBondContact CA-O 3.35Å; K161-K189 PolarHBondContact O-N 3.42Å; K161-Y190 PolarHBondContact O-N 3.29Å; K161-Y190 VanDerWaalsContact O-N 3.16Å
162Y98Very high87.3Confident45 Ų4540.3 Ų40.318%0.17621%0.206CC..EExtended strand (participates in β ladder)trans-137.4127-175.6-173.3-79.1000110.5E133 K134 L135 E136 K164 Y190E133-Y162 PolarHBondContact O-N 2.8Å; K134-Y162 WeakPolarHBondContact CA-O 3.33Å; L135-Y162 PolarHBondContact N-O 2.95Å; E136-Y162 HydrophobicContact CG-CD1 4.23Å; E136-Y162 HydrophobicContact CG-CE1 3.81Å; Y162-K164 HydrophobicContact CE1-CB 3.72Å; Y162-Y190 HydrophobicContact CD1-CD1 4.15Å; Y162-Y190 AromaticContact CD2-CD1 3.37Å; Y162-Y190 HydrophobicContact CD2-CD1 3.37Å; Y162-Y190 HydrophobicContact CD2-CD2 4.28Å; Y162-Y190 HydrophobicContact CD2-CE1 4.11Å; Y162-Y190 AromaticContact CD2-CG 3.47Å; Y162-Y190 HydrophobicContact CD2-CG 3.47Å; Y162-Y190 VanDerWaalsContact CD2-CG 3.47Å; Y162-Y190 AromaticContact CE1-CD1 3.91Å; Y162-Y190 HydrophobicContact CE1-CD1 3.91Å; Y162-Y190 AromaticContact CE1-CE1 3.93Å; Y162-Y190 HydrophobicContact CE1-CE1 3.93Å; Y162-Y190 AromaticContact CE2-CD1 3.1Å; Y162-Y190 HydrophobicContact CE2-CD1 3.1Å; Y162-Y190 AromaticContact CE2-CD2 3.86Å; Y162-Y190 HydrophobicContact CE2-CD2 3.86Å; Y162-Y190 AromaticContact CE2-CE1 3.36Å; Y162-Y190 HydrophobicContact CE2-CE1 3.36Å; Y162-Y190 HydrophobicContact CE2-CE2 4.1Å; Y162-Y190 AromaticContact CE2-CG 3.37Å; Y162-Y190 HydrophobicContact CE2-CG 3.37Å; Y162-Y190 AromaticContact CE2-CZ 3.87Å; Y162-Y190 AromaticContact CG-CD1 3.89Å; Y162-Y190 HydrophobicContact CG-CD1 3.89Å; Y162-Y190 HydrophobicContact CG-CG 4.3Å; Y162-Y190 AromaticContact CZ-CD1 3.38Å; Y162-Y190 AromaticContact CZ-CE1 3.23Å; Y162-Y190 AromaticContact CZ-CZ 3.9Å; Y162-Y190 WeakPolarHBondContact OH-CE1 3.22Å
163L98Very high88.4Confident0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-133.5119.5175.1-17957.8000110.5L135 L160 L165 L176 L179 I180 L188 Y190 L191 N192L135-L163 HydrophobicContact CB-CD1 3.97Å; L135-L163 HydrophobicContact CD2-CD1 4.01Å; L135-L163 HydrophobicContact CG-CD1 4.09Å; L135-L163 CarbonylContact O-C 3.58Å; L135-L163 WeakPolarHBondContact O-CA 3.31Å; L160-L163 HydrophobicContact CD1-CB 4.38Å; L160-L163 HydrophobicContact CD1-CD1 4.14Å; L160-L163 HydrophobicContact CD1-CD2 4.38Å; L163-L165 HydrophobicContact CD1-CD1 4.5Å; L163-L165 HydrophobicContact CD1-CD2 3.87Å; L163-L165 HydrophobicContact CD1-CG 4.03Å; L163-L165 HydrophobicContact CD2-CD1 4.33Å; L163-L165 HydrophobicContact CG-CD1 4.39Å; L163-L165 HydrophobicContact CG-CG 4.12Å; L163-L176 HydrophobicContact CD2-CD1 3.75Å; L163-L179 HydrophobicContact CD2-CB 4.2Å; L163-I180 HydrophobicContact CD2-CG1 3.91Å; L163-L188 HydrophobicContact CB-CD1 3.85Å; L163-Y190 PolarHBondContact N-O 2.88Å; L163-L191 HydrophobicContact CB-CD1 4.09Å; L163-L191 HydrophobicContact CD2-CD1 3.93Å; L163-L191 HydrophobicContact CG-CD1 4.03Å; L163-L191 CarbonylContact O-C 3.58Å; L163-L191 WeakPolarHBondContact O-CA 3.42Å; L163-N192 PolarHBondContact O-N 2.86Å
164K98.3Very high89.6Confident12 Ų1240.4 Ų40.45%0.05221%0.205CC..EExtended strand (participates in β ladder)trans-120.6122.4173.5-177.3168.4-174.6169.90109.4L135 E136 L137 I138 Y162 N192 F363 D364L135-K164 PolarHBondContact O-N 2.94Å; E136-K164 CarbonylContact C-O 3.58Å; E136-K164 VanDerWaalsContact CA-O 3.26Å; E136-K164 WeakPolarHBondContact CA-O 3.33Å; E136-K164 HydrophobicContact CB-CB 4.27Å; E136-K164 HydrophobicContact CG-CB 4.05Å; L137-K164 PolarHBondContact N-O 3.38Å; I138-K164 HydrophobicContact CD1-CD 4.16Å; I138-K164 HydrophobicContact CG1-CG 4.49Å; Y162-K164 HydrophobicContact CE1-CB 3.72Å; K164-N192 CarbonylContact C-O 3.59Å; K164-N192 WeakPolarHBondContact CA-O 3.44Å; K164-N192 HydrophobicContact CB-CB 4.22Å; K164-N192 HydrophobicContact CG-CB 4Å; K164-F363 PolarHBondContact NZ-O 2.66Å; K164-F363 VanDerWaalsContact NZ-O 3.12Å; K164-D364 PolarHBondContact NZ-OXT 3.15Å
165L97.9Very high91Very high0 Ų037.5 Ų37.50%018%0.184CC..  trans-121.222.7-179.3-61.5-179.4000111.7L137 L163 D167 S168 V171 L176 L179 N192 C196L137-L165 HydrophobicContact CB-CD2 3.78Å; L137-L165 HydrophobicContact CD1-CD2 3.82Å; L137-L165 HydrophobicContact CG-CD2 3.98Å; L137-L165 CarbonylContact O-C 3.58Å; L137-L165 VanDerWaalsContact O-C 3.27Å; L137-L165 VanDerWaalsContact O-CA 3.26Å; L137-L165 WeakPolarHBondContact O-CA 3.36Å; L163-L165 HydrophobicContact CD1-CD1 4.5Å; L163-L165 HydrophobicContact CD1-CD2 3.87Å; L163-L165 HydrophobicContact CD1-CG 4.03Å; L163-L165 HydrophobicContact CD2-CD1 4.33Å; L163-L165 HydrophobicContact CG-CD1 4.39Å; L163-L165 HydrophobicContact CG-CG 4.12Å; L165-D167 PolarHBondContact O-N 2.7Å; L165-S168 VanDerWaalsContact O-CB 3.29Å; L165-S168 WeakPolarHBondContact O-CB 3.49Å; L165-S168 PolarHBondContact O-N 3.02Å; L165-V171 HydrophobicContact CD1-CG1 4.11Å; L165-L176 HydrophobicContact CD1-CD1 3.8Å; L165-L179 HydrophobicContact CD1-CD1 3.92Å; L165-L179 HydrophobicContact CD2-CD1 3.8Å; L165-N192 PolarHBondContact N-O 3.22Å; L165-C196 PolarHBondContact O-SG 2.85Å
166S96.1Very high92.1Very high12 Ų1236.8 Ų36.88%0.08418%0.18CC..THydrogen-bonded Turntrans-54.2134.5-170.252.80000112.7I138 E139 S168 S194I138-S166 WeakPolarHBondContact CA-O 3.38Å; I138-S166 WeakPolarHBondContact CG1-OG 3.08Å; E139-S166 PolarHBondContact N-O 2.83Å; S166-S168 PolarHBondContact O-N 3.16Å; S166-S168 VanDerWaalsContact O-N 3.16Å; S166-S194 WeakPolarHBondContact CA-O 3.22Å; S166-S194 WeakPolarHBondContact CB-OG 3.27Å
167D96Very high93.1Very high66 Ų6637.2 Ų37.235%0.35318%0.183SC..THydrogen-bonded Turntrans59.721.3178.1-148.13.8000115.1E139 L165 S169 S194 K195E139-D167 HydrophobicContact CG-CB 3.8Å; L165-D167 PolarHBondContact O-N 2.7Å; D167-S169 PolarHBondContact O-N 2.93Å; D167-S194 PolarHBondContact N-O 3.04Å; D167-K195 HydrophobicContact CB-CB 4.39Å; D167-K195 HydrophobicContact CB-CD 4.13Å
168S95.1Very high93.8Very high0 Ų027 Ų270%015%0.146CC..  trans-96.370.8174-680000110.6L137 T140 L165 S166 W170 V171L137-S168 PolarHBondContact O-OG 3.44Å; T140-S168 PolarHBondContact N-OG 2.87Å; T140-S168 PolarHBondContact OG1-OG 3.03Å; L165-S168 VanDerWaalsContact O-CB 3.29Å; L165-S168 WeakPolarHBondContact O-CB 3.49Å; L165-S168 PolarHBondContact O-N 3.02Å; S166-S168 PolarHBondContact O-N 3.16Å; S166-S168 VanDerWaalsContact O-N 3.16Å; S168-W170 PolarHBondContact O-N 3.09Å; S168-V171 WeakPolarHBondContact O-CB 3.4Å; S168-V171 VanDerWaalsContact O-CG2 3.27Å; S168-V171 WeakPolarHBondContact O-CG2 3.47Å; S168-V171 PolarHBondContact O-N 3.21Å
169S91.7Very high94.4Very high34 Ų3426.1 Ų26.124%0.23814%0.142CC..THydrogen-bonded Turntrans-62.5-5-170.378.70000116.5D167 V171 R198D167-S169 PolarHBondContact O-N 2.93Å; S169-V171 VanDerWaalsContact C-N 3.35Å; S169-R198 WeakPolarHBondContact O-CD 3.27Å; S169-R198 VanDerWaalsContact O-CG 3.31Å; S169-R198 WeakPolarHBondContact O-CG 3.46Å; S169-R198 PolarHBondContact O-NE 2.89Å
170W93.7Very high94.6Very high2 Ų223.4 Ų23.41%0.00812%0.122CC..THydrogen-bonded Turntrans-82.6-14.6176.562.7-85.4000112.9I118 F121 T140 A142 R145 S168 Y172 H175I118-W170 HydrophobicContact CD1-CZ2 4Å; F121-W170 HydrophobicContact CB-CZ3 4.48Å; F121-W170 AromaticContact CD2-CH2 3.33Å; F121-W170 HydrophobicContact CD2-CH2 3.33Å; F121-W170 HydrophobicContact CD2-CZ2 4.44Å; F121-W170 AromaticContact CD2-CZ3 3.69Å; F121-W170 HydrophobicContact CD2-CZ3 3.69Å; F121-W170 AromaticContact CE2-CH2 3.53Å; F121-W170 HydrophobicContact CE2-CH2 3.53Å; F121-W170 HydrophobicContact CE2-CZ3 4.08Å; F121-W170 HydrophobicContact CG-CH2 4.15Å; F121-W170 HydrophobicContact CG-CZ3 4.05Å; F121-W170 HydrophobicContact CZ-CH2 4.46Å; T140-W170 PolarHBondContact O-NE1 2.87Å; T140-W170 PolarHBondContact OG1-NE1 3.08Å; T140-W170 VanDerWaalsContact OG1-NE1 3.09Å; A142-W170 HydrophobicContact CB-CB 4.43Å; A142-W170 HydrophobicContact CB-CD2 3.37Å; A142-W170 HydrophobicContact CB-CE3 3.36Å; A142-W170 HydrophobicContact CB-CG 3.86Å; A142-W170 HydrophobicContact CB-CH2 4.25Å; A142-W170 HydrophobicContact CB-CZ2 4.26Å; A142-W170 HydrophobicContact CB-CZ3 3.8Å; R145-W170 HydrophobicContact CG-CE3 4.33Å; S168-W170 PolarHBondContact O-N 3.09Å; W170-Y172 VanDerWaalsContact O-CD2 3.25Å; W170-Y172 WeakPolarHBondContact O-CD2 3.46Å; W170-H175 HydrophobicContact CZ3-CB 4.15Å; W170-H175 AromaticContact CZ3-CD2 3.54Å; W170-H175 AromaticContact CZ3-CG 3.86Å
171V95.3Very high94Very high0 Ų024.5 Ų24.50%013%0.134CC..  trans-70.4131.2-175.5176.80000110.6L165 S168 S169 H175 L176 L199L165-V171 HydrophobicContact CD1-CG1 4.11Å; S168-V171 WeakPolarHBondContact O-CB 3.4Å; S168-V171 VanDerWaalsContact O-CG2 3.27Å; S168-V171 WeakPolarHBondContact O-CG2 3.47Å; S168-V171 PolarHBondContact O-N 3.21Å; S169-V171 VanDerWaalsContact C-N 3.35Å; V171-H175 HydrophobicContact CG1-CB 4.25Å; V171-L176 HydrophobicContact CG1-CB 4.46Å; V171-L199 HydrophobicContact CG1-CD2 4.01Å
172Y94.3Very high92.9Very high66 Ų6625 Ų2526%0.25914%0.14SC..  trans-121.5168170.1-69.4-96.6000109.4W170 V174 H175 L176 R198 L199W170-Y172 VanDerWaalsContact O-CD2 3.25Å; W170-Y172 WeakPolarHBondContact O-CD2 3.46Å; Y172-V174 PolarHBondContact O-N 3.48Å; Y172-H175 WeakPolarHBondContact CB-ND1 3.29Å; Y172-H175 AromaticContact CD2-CE1 3.75Å; Y172-H175 PolarHBondContact N-ND1 2.91Å; Y172-H175 WeakPolarHBondContact O-CB 3.43Å; Y172-H175 PolarHBondContact O-N 3.25Å; Y172-H175 PolarHBondContact O-ND1 3Å; Y172-L176 PolarHBondContact O-N 3.46Å; Y172-L176 VanDerWaalsContact O-N 3.14Å; Y172-R198 HydrophobicContact CD1-CB 4.1Å; Y172-R198 HydrophobicContact CE1-CB 3.91Å; Y172-R198 HydrophobicContact CG-CB 4.5Å; Y172-R198 VanDerWaalsContact CZ-CD 3.47Å; Y172-R198 WeakPolarHBondContact OH-CD 3.4Å; Y172-R198 PolarHBondContact OH-NH1 2.97Å; Y172-L199 VanDerWaalsContact C-CD2 3.5Å
173D93.2Very high92.1Very high24 Ų2429.5 Ų29.513%0.12817%0.167CC..Hα-helixtrans-48.6-39.8-178.5-55.8-4.2000113.1H175 L176 S177 F200 K215 F219D173-H175 VanDerWaalsContact C-N 3.32Å; D173-H175 PolarHBondContact O-N 3.44Å; D173-L176 PolarHBondContact O-N 2.96Å; D173-S177 WeakPolarHBondContact O-CB 3.31Å; D173-S177 PolarHBondContact O-N 2.83Å; D173-F200 PolarHBondContact OD1-N 3.46Å; D173-K215 WeakPolarHBondContact OD2-CE 3.41Å; D173-F219 HydrophobicContact CB-CD2 4.26Å; D173-F219 HydrophobicContact CB-CE2 4.07Å; D173-F219 WeakPolarHBondContact O-CE2 3.21Å
174V91.2Very high91.4Very high83 Ų8331.9 Ų31.950%0.50319%0.187SC..Hα-helixtrans-63.2-34.9178.1-63.50000113.3V147 Y172 A178V147-V174 HydrophobicContact CG2-CG2 4.31Å; Y172-V174 PolarHBondContact O-N 3.48Å; V174-A178 WeakPolarHBondContact O-CB 3.5Å; V174-A178 PolarHBondContact O-N 2.82Å
175H93.8Very high91Very high4 Ų431.9 Ų31.92%0.01919%0.189CC..Hα-helixtrans-76.4-42.3178.2-50.793.4000110.8F121 R145 W170 V171 Y172 D173 S177 A178 L179F121-H175 AromaticContact CD1-CD2 3.72Å; F121-H175 HydrophobicContact CE1-CB 4.18Å; F121-H175 AromaticContact CE1-CD2 3.88Å; F121-H175 HydrophobicContact CZ-CB 4.14Å; R145-H175 WeakPolarHBondContact CB-NE2 3.28Å; R145-H175 PolarHBondContact O-NE2 2.92Å; W170-H175 HydrophobicContact CZ3-CB 4.15Å; W170-H175 AromaticContact CZ3-CD2 3.54Å; W170-H175 AromaticContact CZ3-CG 3.86Å; V171-H175 HydrophobicContact CG1-CB 4.25Å; Y172-H175 WeakPolarHBondContact CB-ND1 3.29Å; Y172-H175 AromaticContact CD2-CE1 3.75Å; Y172-H175 PolarHBondContact N-ND1 2.91Å; Y172-H175 WeakPolarHBondContact O-CB 3.43Å; Y172-H175 PolarHBondContact O-N 3.25Å; Y172-H175 PolarHBondContact O-ND1 3Å; D173-H175 VanDerWaalsContact C-N 3.32Å; D173-H175 PolarHBondContact O-N 3.44Å; H175-S177 VanDerWaalsContact C-N 3.31Å; H175-S177 PolarHBondContact O-N 2.92Å; H175-A178 PolarHBondContact O-N 3.25Å; H175-L179 WeakPolarHBondContact O-CG 3.44Å; H175-L179 PolarHBondContact O-N 2.73Å
176L94.5Very high90.7Very high0 Ų039.5 Ų39.50%022%0.222CC..Hα-helixtrans-61-44.2174.9179.757.9000110.4L163 L165 V171 Y172 D173 A178 L179 I180 L191 V193 L199 F200 F219L163-L176 HydrophobicContact CD2-CD1 3.75Å; L165-L176 HydrophobicContact CD1-CD1 3.8Å; V171-L176 HydrophobicContact CG1-CB 4.46Å; Y172-L176 PolarHBondContact O-N 3.46Å; Y172-L176 VanDerWaalsContact O-N 3.14Å; D173-L176 PolarHBondContact O-N 2.96Å; L176-A178 PolarHBondContact O-N 3.33Å; L176-L179 PolarHBondContact O-N 2.78Å; L176-I180 HydrophobicContact CD1-CD1 3.78Å; L176-I180 HydrophobicContact CD1-CG1 4.14Å; L176-I180 HydrophobicContact CG-CD1 3.87Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.24Å; L176-I180 PolarHBondContact O-N 3.16Å; L176-L191 HydrophobicContact CD1-CD1 3.96Å; L176-V193 HydrophobicContact CD1-CG1 4.34Å; L176-V193 HydrophobicContact CD2-CG1 4.27Å; L176-L199 HydrophobicContact CB-CD2 4.31Å; L176-L199 HydrophobicContact CD2-CD1 4.33Å; L176-L199 HydrophobicContact CD2-CD2 4.2Å; L176-F200 HydrophobicContact CD2-CZ 4.44Å; L176-F219 HydrophobicContact CB-CZ 4.04Å; L176-F219 HydrophobicContact CD2-CD1 4.45Å; L176-F219 HydrophobicContact CD2-CE1 3.53Å; L176-F219 HydrophobicContact CD2-CZ 3.83Å; L176-F219 HydrophobicContact CG-CE1 3.84Å; L176-F219 HydrophobicContact CG-CZ 3.75Å
177S91.7Very high90.6Very high35 Ų3540.1 Ų40.125%0.24523%0.226CC..Hα-helixtrans-61.3-42.6174.4-173.30000112D173 H175 L179 I180 G181D173-S177 WeakPolarHBondContact O-CB 3.31Å; D173-S177 PolarHBondContact O-N 2.83Å; H175-S177 VanDerWaalsContact C-N 3.31Å; H175-S177 PolarHBondContact O-N 2.92Å; S177-L179 VanDerWaalsContact C-N 3.32Å; S177-L179 PolarHBondContact O-N 2.73Å; S177-I180 PolarHBondContact O-N 2.85Å; S177-G181 CarbonylContact O-C 3.34Å; S177-G181 PolarHBondContact O-N 2.88Å; S177-G181 VanDerWaalsContact O-O 3.12Å
178A90.8Very high90.6Very high5 Ų537 Ų374%0.04121%0.21CC..Hα-helixtrans-61.6-40176.900000112.2F121 I125 V147 L152 V174 H175 L176F121-A178 HydrophobicContact CE1-CB 4Å; F121-A178 HydrophobicContact CZ-CB 4.35Å; I125-A178 HydrophobicContact CD1-CB 4.05Å; I125-A178 VanDerWaalsContact CD1-O 3.25Å; I125-A178 WeakPolarHBondContact CD1-O 3.28Å; V147-A178 HydrophobicContact CG1-CB 4.18Å; L152-A178 HydrophobicContact CD2-CB 3.73Å; V174-A178 WeakPolarHBondContact O-CB 3.5Å; V174-A178 PolarHBondContact O-N 2.82Å; H175-A178 PolarHBondContact O-N 3.25Å; L176-A178 PolarHBondContact O-N 3.33Å
179L92.9Very high90.8Very high0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-74.8-28.2178.2-68.7170.1000113.8F121 I125 L135 L137 F158 L160 L163 L165 H175 L176 S177F121-L179 HydrophobicContact CE2-CD1 4.33Å; F121-L179 HydrophobicContact CE2-CD2 4.13Å; F121-L179 HydrophobicContact CE2-CG 4.25Å; F121-L179 HydrophobicContact CZ-CD1 4.31Å; F121-L179 HydrophobicContact CZ-CD2 4.05Å; F121-L179 HydrophobicContact CZ-CG 3.89Å; I125-L179 HydrophobicContact CD1-CD2 3.84Å; I125-L179 HydrophobicContact CD1-CG 4.41Å; I125-L179 HydrophobicContact CG1-CD2 4.07Å; L135-L179 HydrophobicContact CD2-CD2 3.79Å; L137-L179 HydrophobicContact CD1-CD1 4.24Å; F158-L179 WeakPolarHBondContact CE2-O 3.48Å; L160-L179 WeakPolarHBondContact CD1-O 3.3Å; L163-L179 HydrophobicContact CD2-CB 4.2Å; L165-L179 HydrophobicContact CD1-CD1 3.92Å; L165-L179 HydrophobicContact CD2-CD1 3.8Å; H175-L179 WeakPolarHBondContact O-CG 3.44Å; H175-L179 PolarHBondContact O-N 2.73Å; L176-L179 PolarHBondContact O-N 2.78Å; S177-L179 VanDerWaalsContact C-N 3.32Å; S177-L179 PolarHBondContact O-N 2.73Å
180I91.6Very high91.1Very high9 Ų939.1 Ų39.15%0.04621%0.214CC..Hα-helixtrans-79.9-35.3174.8-67173.3000110.4L163 L176 S177 L188 F219L163-I180 HydrophobicContact CD2-CG1 3.91Å; L176-I180 HydrophobicContact CD1-CD1 3.78Å; L176-I180 HydrophobicContact CD1-CG1 4.14Å; L176-I180 HydrophobicContact CG-CD1 3.87Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.24Å; L176-I180 PolarHBondContact O-N 3.16Å; S177-I180 PolarHBondContact O-N 2.85Å; I180-L188 HydrophobicContact CD1-CD2 4.02Å; I180-L188 HydrophobicContact CG1-CD2 4Å; I180-L188 HydrophobicContact CG2-CD2 4.49Å; I180-F219 HydrophobicContact CD1-CE1 4.32Å
181G82.9Confident91.3Very high25 Ų2539 Ų3926%0.25821%0.214SC..  trans114.5168.7-177.200000112.9S177 N183S177-G181 CarbonylContact O-C 3.34Å; S177-G181 PolarHBondContact O-N 2.88Å; S177-G181 VanDerWaalsContact O-O 3.12Å; G181-N183 VanDerWaalsContact C-N 3.32Å; G181-N183 PolarHBondContact O-N 2.98Å
182L73.9Confident91.4Very high103 Ų10339.1 Ų39.154%0.53921%0.214SC..SBendtrans-71.4-25.2-176.8-72.4172.3000114L152 P153L152-L182 HydrophobicContact CB-CD1 4Å; L152-L182 HydrophobicContact CB-CD2 3.81Å; L152-L182 HydrophobicContact CB-CG 4.09Å; L152-L182 HydrophobicContact CD1-CD2 3.68Å; L152-L182 HydrophobicContact CG-CD2 4.37Å; P153-L182 HydrophobicContact CG-CD1 4.11Å
183N80.5Confident91.6Very high139 Ų13936 Ų3674%0.74320%0.202SC*.SBendtrans-105.4153.8-178.3-65.9-34000110.2G181 S185G181-N183 VanDerWaalsContact C-N 3.32Å; G181-N183 PolarHBondContact O-N 2.98Å; N183-S185 PolarHBondContact O-N 2.91Å
184A84.1Confident91.8Very high51 Ų5135.4 Ų35.442%0.42120%0.2SC..  trans-52.4114171.700000110.4K186 Q222 T223A184-K186 PolarHBondContact O-N 2.6Å; A184-Q222 WeakPolarHBondContact CA-O 3.49Å; A184-Q222 VanDerWaalsContact CB-O 3.23Å; A184-Q222 WeakPolarHBondContact CB-O 3.22Å; A184-T223 CarbonylContact C-O 3.48Å
185S89.7Confident92.1Very high12 Ų1235.7 Ų35.78%0.08419%0.194CC..  trans-70.9123178.9-179.40000109.9N183 S187 L188 T223N183-S185 PolarHBondContact O-N 2.91Å; S185-S187 PolarHBondContact OG-N 2.89Å; S185-S187 PolarHBondContact OG-OG 3.27Å; S185-L188 WeakPolarHBondContact OG-CB 3.39Å; S185-L188 PolarHBondContact OG-N 3.03Å; S185-T223 PolarHBondContact N-O 3.35Å
186K91.4Very high92.2Very high160 Ų16035.5 Ų35.570%0.69619%0.193SC*.SBendtrans-93.8-13.8171.3-58.6-173.8-178.3-178.70112.4A184A184-K186 PolarHBondContact O-N 2.6Å
187S94.3Very high92.1Very high25 Ų2538.5 Ų38.518%0.17521%0.205CC..SBendtrans-94.9-28.3-17644.50000113S159 L160 K161 S185 K189S159-S187 WeakPolarHBondContact OG-CB 3.17Å; S159-S187 PolarHBondContact OG-OG 3.05Å; L160-S187 CarbonylContact O-C 3.51Å; L160-S187 VanDerWaalsContact O-C 3.31Å; L160-S187 PolarHBondContact O-OG 2.79Å; K161-S187 WeakPolarHBondContact CA-O 3.35Å; S185-S187 PolarHBondContact OG-N 2.89Å; S185-S187 PolarHBondContact OG-OG 3.27Å; S187-K189 WeakPolarHBondContact O-CG 3.04Å; S187-K189 PolarHBondContact O-N 2.98Å; S187-K189 VanDerWaalsContact O-N 3.13Å
188L96.6Very high92.2Very high0 Ų039.6 Ų39.60%020%0.204CC..  trans-67.9112.2-177-170.671000110.4L160 L163 I180 S185 Y190 L191 C224 L227L160-L188 HydrophobicContact CB-CD1 4.05Å; L160-L188 WeakPolarHBondContact O-CA 3.4Å; L160-L188 WeakPolarHBondContact O-CB 3.29Å; L160-L188 PolarHBondContact O-N 2.92Å; L163-L188 HydrophobicContact CB-CD1 3.85Å; I180-L188 HydrophobicContact CD1-CD2 4.02Å; I180-L188 HydrophobicContact CG1-CD2 4Å; I180-L188 HydrophobicContact CG2-CD2 4.49Å; S185-L188 WeakPolarHBondContact OG-CB 3.39Å; S185-L188 PolarHBondContact OG-N 3.03Å; L188-Y190 WeakPolarHBondContact CD1-O 3.25Å; L188-L191 HydrophobicContact CD2-CB 4.45Å; L188-C224 HydrophobicContact CD2-CB 3.9Å; L188-L227 HydrophobicContact CD2-CD1 4.3Å; L188-L227 HydrophobicContact CG-CD1 4.1Å
189K97.7Very high92.4Very high62 Ų6239.3 Ų39.327%0.2720%0.202SC..  trans-104.3-33.6-179.7-60.5-44.6-167.1151.70112.7K161 S187 H226 L227 E228 E229K161-K189 PolarHBondContact O-N 3.42Å; S187-K189 WeakPolarHBondContact O-CG 3.04Å; S187-K189 PolarHBondContact O-N 2.98Å; S187-K189 VanDerWaalsContact O-N 3.13Å; K189-H226 PolarHBondContact NZ-O 3.07Å; K189-L227 WeakPolarHBondContact O-CD1 3.11Å; K189-E228 HydrophobicContact CB-CB 4.43Å; K189-E228 HydrophobicContact CD-CG 4.16Å; K189-E228 WeakPolarHBondContact CD-OE1 3.25Å; K189-E228 VanDerWaalsContact CE-OE1 3.23Å; K189-E228 WeakPolarHBondContact CE-OE1 3.38Å; K189-E228 IonicContact NZ-OE1 2.77Å; K189-E228 PolarHBondContact NZ-OE1 3.15Å; K189-E228 PolarHBondContact O-N 3.14Å; K189-E229 PolarHBondContact O-N 3.16Å
190Y98.3Very high92.5Very high17 Ų1739.4 Ų39.47%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-119.9126.6-179.3-177.9-82.9000111.1K161 Y162 L163 L188 N192 E229 F363K161-Y190 PolarHBondContact O-N 3.29Å; K161-Y190 VanDerWaalsContact O-N 3.16Å; Y162-Y190 HydrophobicContact CD1-CD1 4.15Å; Y162-Y190 AromaticContact CD2-CD1 3.37Å; Y162-Y190 HydrophobicContact CD2-CD1 3.37Å; Y162-Y190 HydrophobicContact CD2-CD2 4.28Å; Y162-Y190 HydrophobicContact CD2-CE1 4.11Å; Y162-Y190 AromaticContact CD2-CG 3.47Å; Y162-Y190 HydrophobicContact CD2-CG 3.47Å; Y162-Y190 VanDerWaalsContact CD2-CG 3.47Å; Y162-Y190 AromaticContact CE1-CD1 3.91Å; Y162-Y190 HydrophobicContact CE1-CD1 3.91Å; Y162-Y190 AromaticContact CE1-CE1 3.93Å; Y162-Y190 HydrophobicContact CE1-CE1 3.93Å; Y162-Y190 AromaticContact CE2-CD1 3.1Å; Y162-Y190 HydrophobicContact CE2-CD1 3.1Å; Y162-Y190 AromaticContact CE2-CD2 3.86Å; Y162-Y190 HydrophobicContact CE2-CD2 3.86Å; Y162-Y190 AromaticContact CE2-CE1 3.36Å; Y162-Y190 HydrophobicContact CE2-CE1 3.36Å; Y162-Y190 HydrophobicContact CE2-CE2 4.1Å; Y162-Y190 AromaticContact CE2-CG 3.37Å; Y162-Y190 HydrophobicContact CE2-CG 3.37Å; Y162-Y190 AromaticContact CE2-CZ 3.87Å; Y162-Y190 AromaticContact CG-CD1 3.89Å; Y162-Y190 HydrophobicContact CG-CD1 3.89Å; Y162-Y190 HydrophobicContact CG-CG 4.3Å; Y162-Y190 AromaticContact CZ-CD1 3.38Å; Y162-Y190 AromaticContact CZ-CE1 3.23Å; Y162-Y190 AromaticContact CZ-CZ 3.9Å; Y162-Y190 WeakPolarHBondContact OH-CE1 3.22Å; L163-Y190 PolarHBondContact N-O 2.88Å; L188-Y190 WeakPolarHBondContact CD1-O 3.25Å; Y190-N192 HydrophobicContact CD1-CB 4.4Å; Y190-N192 HydrophobicContact CE1-CB 3.43Å; Y190-N192 VanDerWaalsContact CE1-CB 3.43Å; Y190-N192 PolarHBondContact OH-ND2 2.85Å; Y190-N192 VanDerWaalsContact OH-ND2 3.16Å; Y190-E229 HydrophobicContact CD2-CB 3.63Å; Y190-E229 HydrophobicContact CD2-CG 4.27Å; Y190-E229 VanDerWaalsContact CD2-OE2 3.3Å; Y190-E229 WeakPolarHBondContact CD2-OE2 3.47Å; Y190-E229 HydrophobicContact CE2-CB 4.26Å; Y190-E229 WeakPolarHBondContact CE2-OE2 3.5Å; Y190-E229 HydrophobicContact CG-CB 4.43Å; Y190-F363 AromaticContact CE2-CE1 3.9Å; Y190-F363 HydrophobicContact CE2-CE1 3.9Å; Y190-F363 WeakPolarHBondContact OH-CD1 3.34Å; Y190-F363 WeakPolarHBondContact OH-CE1 3.41Å
191L98.4Very high92.4Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-130.6119.2173.217861.5000109.9L163 L176 L188 V193 L220 L227 E229 L230 D231L163-L191 HydrophobicContact CB-CD1 4.09Å; L163-L191 HydrophobicContact CD2-CD1 3.93Å; L163-L191 HydrophobicContact CG-CD1 4.03Å; L163-L191 CarbonylContact O-C 3.58Å; L163-L191 WeakPolarHBondContact O-CA 3.42Å; L176-L191 HydrophobicContact CD1-CD1 3.96Å; L188-L191 HydrophobicContact CD2-CB 4.45Å; L191-V193 HydrophobicContact CD1-CG1 3.77Å; L191-V193 HydrophobicContact CD2-CG1 4.47Å; L191-V193 HydrophobicContact CG-CG1 4.05Å; L191-L220 HydrophobicContact CD2-CD2 4.1Å; L191-L227 HydrophobicContact CB-CD1 3.65Å; L191-L227 HydrophobicContact CB-CD2 3.87Å; L191-L227 HydrophobicContact CB-CG 4.41Å; L191-L227 HydrophobicContact CD2-CD2 4.44Å; L191-E229 PolarHBondContact N-O 2.85Å; L191-L230 HydrophobicContact CB-CD1 4.25Å; L191-L230 HydrophobicContact CD2-CD1 4.06Å; L191-L230 HydrophobicContact CG-CD1 4.2Å; L191-L230 WeakPolarHBondContact O-CA 3.27Å; L191-D231 PolarHBondContact O-N 2.94Å
192N98.5Very high92.7Very high2 Ų240.9 Ų40.91%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-118116.8171.5-176.1-34.8000110.1L163 K164 L165 Y190 S194 D231L163-N192 PolarHBondContact O-N 2.86Å; K164-N192 CarbonylContact C-O 3.59Å; K164-N192 WeakPolarHBondContact CA-O 3.44Å; K164-N192 HydrophobicContact CB-CB 4.22Å; K164-N192 HydrophobicContact CG-CB 4Å; L165-N192 PolarHBondContact N-O 3.22Å; Y190-N192 HydrophobicContact CD1-CB 4.4Å; Y190-N192 HydrophobicContact CE1-CB 3.43Å; Y190-N192 VanDerWaalsContact CE1-CB 3.43Å; Y190-N192 PolarHBondContact OH-ND2 2.85Å; Y190-N192 VanDerWaalsContact OH-ND2 3.16Å; N192-S194 VanDerWaalsContact OD1-CB 3.27Å; N192-S194 WeakPolarHBondContact OD1-CB 3.47Å; N192-S194 PolarHBondContact OD1-N 3.07Å; N192-S194 PolarHBondContact OD1-OG 2.85Å; N192-D231 HydrophobicContact CB-CB 3.93Å; N192-D231 PolarHBondContact ND2-OD2 2.97Å
193V98.1Very high93.3Very high0 Ų037.7 Ų37.70%019%0.19CC..  trans-12330.2177-65.90000110.6L176 L191 K195 C196 L199 D231 L232 V235L176-V193 HydrophobicContact CD1-CG1 4.34Å; L176-V193 HydrophobicContact CD2-CG1 4.27Å; L191-V193 HydrophobicContact CD1-CG1 3.77Å; L191-V193 HydrophobicContact CD2-CG1 4.47Å; L191-V193 HydrophobicContact CG-CG1 4.05Å; V193-K195 PolarHBondContact O-N 3.07Å; V193-C196 HydrophobicContact CB-CB 4.27Å; V193-C196 WeakPolarHBondContact O-CB 3.29Å; V193-C196 PolarHBondContact O-N 3.03Å; V193-C196 VanDerWaalsContact O-N 3.08Å; V193-L199 HydrophobicContact CB-CD1 3.58Å; V193-L199 HydrophobicContact CG1-CD1 3.83Å; V193-L199 HydrophobicContact CG2-CD1 3.91Å; V193-D231 WeakPolarHBondContact CG2-O 3.36Å; V193-D231 PolarHBondContact N-O 3.23Å; V193-L232 HydrophobicContact CG2-CD2 3.79Å; V193-V235 HydrophobicContact CG2-CG2 4.25Å; V193-V235 VanDerWaalsContact O-CG2 3.28Å; V193-V235 WeakPolarHBondContact O-CG2 3.46Å
194S97.4Very high93.2Very high12 Ų1235.9 Ų35.98%0.08419%0.186CC..THydrogen-bonded Turntrans-54.5139.2-179.456.40000111.3S166 D167 N192 C196 S233S166-S194 WeakPolarHBondContact CA-O 3.22Å; S166-S194 WeakPolarHBondContact CB-OG 3.27Å; D167-S194 PolarHBondContact N-O 3.04Å; N192-S194 VanDerWaalsContact OD1-CB 3.27Å; N192-S194 WeakPolarHBondContact OD1-CB 3.47Å; N192-S194 PolarHBondContact OD1-N 3.07Å; N192-S194 PolarHBondContact OD1-OG 2.85Å; S194-C196 PolarHBondContact O-N 3.09Å; S194-S233 CarbonylContact C-O 3.55Å; S194-S233 WeakPolarHBondContact CA-O 3.31Å; S194-S233 WeakPolarHBondContact CB-OG 3.23Å
195K96.1Very high92.8Very high88 Ų8836.4 Ų36.438%0.38319%0.19SC..THydrogen-bonded Turntrans60.67.7-177.8-57.3172.6179.3178.60115.4D167 V193 Y197 S233 S234D167-K195 HydrophobicContact CB-CB 4.39Å; D167-K195 HydrophobicContact CB-CD 4.13Å; V193-K195 PolarHBondContact O-N 3.07Å; K195-Y197 WeakPolarHBondContact O-CD1 3.33Å; K195-Y197 PolarHBondContact O-N 3Å; K195-S233 PolarHBondContact N-O 2.85Å; K195-S234 WeakPolarHBondContact CA-O 3.46Å
196C95.9Very high92.1Very high0 Ų038.3 Ų38.30%020%0.203CC..  trans-81.661.7171.6-69.10000111.7L165 V193 S194 R198 L199L165-C196 PolarHBondContact O-SG 2.85Å; V193-C196 HydrophobicContact CB-CB 4.27Å; V193-C196 WeakPolarHBondContact O-CB 3.29Å; V193-C196 PolarHBondContact O-N 3.03Å; V193-C196 VanDerWaalsContact O-N 3.08Å; S194-C196 PolarHBondContact O-N 3.09Å; C196-R198 PolarHBondContact O-N 3.33Å; C196-L199 HydrophobicContact CB-CD1 3.57Å; C196-L199 HydrophobicContact CB-CG 3.99Å; C196-L199 WeakPolarHBondContact O-CB 3.26Å; C196-L199 WeakPolarHBondContact O-CG 3.45Å; C196-L199 PolarHBondContact O-N 2.86Å; C196-L199 VanDerWaalsContact O-N 3.1Å
197Y93.8Very high91.8Very high63 Ų6332 Ų3225%0.24718%0.179CC..THydrogen-bonded Turntrans-61.2-16.3-170.159.2-100.3000115.6K195 L199 G202 P203 R212 I237K195-Y197 WeakPolarHBondContact O-CD1 3.33Å; K195-Y197 PolarHBondContact O-N 3Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; Y197-G202 VanDerWaalsContact O-CA 3.31Å; Y197-G202 WeakPolarHBondContact O-CA 3.22Å; Y197-P203 HydrophobicContact CD2-CB 4.31Å; Y197-P203 HydrophobicContact CD2-CG 4.2Å; Y197-P203 HydrophobicContact CE2-CB 4.48Å; Y197-P203 VanDerWaalsContact O-CD 3.26Å; Y197-P203 WeakPolarHBondContact O-CD 3.5Å; Y197-R212 PolarHBondContact O-NH2 3.47Å; Y197-I237 HydrophobicContact CD1-CD1 3.91Å; Y197-I237 HydrophobicContact CG-CD1 3.78Å; Y197-I237 HydrophobicContact CG-CG1 4.39Å
198R93.7Very high91.4Very high58 Ų5832.9 Ų32.922%0.21918%0.184CC..THydrogen-bonded Turntrans-80.1-13.3179-56.4-165.3-176.1-154.1-5.4113.8S169 Y172 C196 G202 P203S169-R198 WeakPolarHBondContact O-CD 3.27Å; S169-R198 VanDerWaalsContact O-CG 3.31Å; S169-R198 WeakPolarHBondContact O-CG 3.46Å; S169-R198 PolarHBondContact O-NE 2.89Å; Y172-R198 HydrophobicContact CD1-CB 4.1Å; Y172-R198 HydrophobicContact CE1-CB 3.91Å; Y172-R198 HydrophobicContact CG-CB 4.5Å; Y172-R198 VanDerWaalsContact CZ-CD 3.47Å; Y172-R198 WeakPolarHBondContact OH-CD 3.4Å; Y172-R198 PolarHBondContact OH-NH1 2.97Å; C196-R198 PolarHBondContact O-N 3.33Å; R198-G202 PolarHBondContact O-N 3.18Å; R198-P203 WeakPolarHBondContact CG-O 3.26Å
199L95.1Very high91.1Very high0 Ų033.2 Ų33.20%019%0.186CC..THydrogen-bonded Turntrans-64.7154176.2-71.3174.9000112V171 Y172 L176 V193 C196 Y197 L201 G202 R212V171-L199 HydrophobicContact CG1-CD2 4.01Å; Y172-L199 VanDerWaalsContact C-CD2 3.5Å; L176-L199 HydrophobicContact CB-CD2 4.31Å; L176-L199 HydrophobicContact CD2-CD1 4.33Å; L176-L199 HydrophobicContact CD2-CD2 4.2Å; V193-L199 HydrophobicContact CB-CD1 3.58Å; V193-L199 HydrophobicContact CG1-CD1 3.83Å; V193-L199 HydrophobicContact CG2-CD1 3.91Å; C196-L199 HydrophobicContact CB-CD1 3.57Å; C196-L199 HydrophobicContact CB-CG 3.99Å; C196-L199 WeakPolarHBondContact O-CB 3.26Å; C196-L199 WeakPolarHBondContact O-CG 3.45Å; C196-L199 PolarHBondContact O-N 2.86Å; C196-L199 VanDerWaalsContact O-N 3.1Å; Y197-L199 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.9Å; L199-G202 PolarHBondContact O-N 3.44Å; L199-R212 PolarHBondContact O-NH2 2.88Å
200F94.2Very high90.6Very high1 Ų131.8 Ų31.80%0.00418%0.181CC..THydrogen-bonded Turntrans5556.7171-41.7-54.9000112.1D173 L176 G202 R212 M216 F219 L232 V235 F236D173-F200 PolarHBondContact OD1-N 3.46Å; L176-F200 HydrophobicContact CD2-CZ 4.44Å; F200-G202 PolarHBondContact O-N 3.45Å; F200-R212 WeakPolarHBondContact O-CB 3.28Å; F200-R212 WeakPolarHBondContact O-CG 3.21Å; F200-R212 PolarHBondContact O-NE 2.73Å; F200-M216 HydrophobicContact CB-CB 4.07Å; F200-M216 HydrophobicContact CD1-CB 3.8Å; F200-M216 HydrophobicContact CD1-CG 4.1Å; F200-M216 HydrophobicContact CD2-CB 3.93Å; F200-M216 HydrophobicContact CD2-CG 3.88Å; F200-M216 HydrophobicContact CD2-SD 4.15Å; F200-M216 HydrophobicContact CE1-CB 4.19Å; F200-M216 HydrophobicContact CE1-CG 4.01Å; F200-M216 HydrophobicContact CE2-CB 4.31Å; F200-M216 HydrophobicContact CE2-CG 3.78Å; F200-M216 HydrophobicContact CE2-SD 4.02Å; F200-M216 HydrophobicContact CG-CB 3.65Å; F200-M216 HydrophobicContact CG-CG 4.04Å; F200-M216 HydrophobicContact CZ-CB 4.44Å; F200-M216 HydrophobicContact CZ-CG 3.84Å; F200-F219 HydrophobicContact CE1-CB 4.3Å; F200-F219 AromaticContact CE1-CD1 3.97Å; F200-F219 HydrophobicContact CE1-CD1 3.97Å; F200-F219 HydrophobicContact CE1-CG 4.16Å; F200-L232 HydrophobicContact CE2-CD2 3.99Å; F200-V235 HydrophobicContact CD2-CG1 4.17Å; F200-V235 HydrophobicContact CE2-CG1 4.45Å; F200-F236 HydrophobicContact CD2-CZ 4.48Å
201L90.3Very high90.1Very high64 Ų6435.5 Ų35.534%0.33520%0.2SC..THydrogen-bonded Turntrans58.932.1-176-50.1174000113.8L199 C207 R212 K215L199-L201 PolarHBondContact O-N 2.9Å; L201-C207 HydrophobicContact CB-CB 3.83Å; L201-C207 HydrophobicContact CD1-CB 4.31Å; L201-R212 HydrophobicContact CB-CG 4.42Å; L201-K215 HydrophobicContact CD1-CB 4.14Å; L201-K215 HydrophobicContact CD1-CG 4.38Å; L201-K215 HydrophobicContact CG-CB 4.26Å; L201-K215 HydrophobicContact CG-CG 4.06Å
202G89.4Confident89.9Confident2 Ų235.6 Ų35.62%0.02120%0.201CC..  trans-67-178.9170.700000113.1Y197 R198 L199 F200 A205Y197-G202 VanDerWaalsContact O-CA 3.31Å; Y197-G202 WeakPolarHBondContact O-CA 3.22Å; R198-G202 PolarHBondContact O-N 3.18Å; L199-G202 PolarHBondContact O-N 3.44Å; F200-G202 PolarHBondContact O-N 3.45Å; G202-A205 WeakPolarHBondContact O-CB 3.28Å; G202-A205 PolarHBondContact O-N 3.38Å
203P84.9Confident89.6Confident35 Ų3535.5 Ų35.523%0.22720%0.2CC..THydrogen-bonded Turntrans-48.7135.9177-29.836.6000112.7Y197 R198Y197-P203 HydrophobicContact CD2-CB 4.31Å; Y197-P203 HydrophobicContact CD2-CG 4.2Å; Y197-P203 HydrophobicContact CE2-CB 4.48Å; Y197-P203 VanDerWaalsContact O-CD 3.26Å; Y197-P203 WeakPolarHBondContact O-CD 3.5Å; R198-P203 WeakPolarHBondContact CG-O 3.26Å
204P79.7Confident89.4Confident102 Ų10240.2 Ų40.266%0.66222%0.222SC*.THydrogen-bonded Turncis-87-5.912.434.3-36000115.8S206P204-S206 PolarHBondContact O-N 3.38Å; P204-S206 PolarHBondContact O-OG 2.9Å; P204-S206 VanDerWaalsContact O-OG 3.07Å
205A74.9Confident89.2Confident61 Ų6143.8 Ų43.850%0.50424%0.236SC..SBendtrans-61.8-28.7-17300000113.9G202 C207G202-A205 WeakPolarHBondContact O-CB 3.28Å; G202-A205 PolarHBondContact O-N 3.38Å; A205-C207 VanDerWaalsContact C-N 3.33Å; A205-C207 PolarHBondContact O-N 2.83Å
206S74.7Confident89.2Confident52 Ų5239.6 Ų39.636%0.36422%0.218SC..  trans55.639.5172.8-52.70000114.5P204P204-S206 PolarHBondContact O-N 3.38Å; P204-S206 PolarHBondContact O-OG 2.9Å; P204-S206 VanDerWaalsContact O-OG 3.07Å
207C85.8Confident89.2Confident29 Ų2940.2 Ų40.220%0.19622%0.222CC..  trans-72.6152.2-177.7-68.30000113.6L201 A205 M211 R212L201-C207 HydrophobicContact CB-CB 3.83Å; L201-C207 HydrophobicContact CD1-CB 4.31Å; A205-C207 VanDerWaalsContact C-N 3.33Å; A205-C207 PolarHBondContact O-N 2.83Å; C207-M211 HydrophobicContact CB-CB 4.5Å; C207-R212 HydrophobicContact CB-CG 4.11Å
208P86.5Confident89.4Confident42 Ų4239.3 Ų39.327%0.27323%0.228SC..  trans-56.4150.6171.9-25.635.7000113.2N210 M211 R212 V243P208-N210 WeakPolarHBondContact CB-OD1 3.36Å; P208-N210 PolarHBondContact O-N 2.79Å; P208-M211 HydrophobicContact CG-SD 4.5Å; P208-M211 PolarHBondContact O-N 2.99Å; P208-M211 VanDerWaalsContact O-N 3.16Å; P208-R212 WeakPolarHBondContact O-CG 3.5Å; P208-R212 PolarHBondContact O-N 3.39Å; P208-R212 VanDerWaalsContact O-N 3.14Å; P208-V243 HydrophobicContact CB-CB 4.31Å; P208-V243 HydrophobicContact CB-CG2 4.17Å; P208-V243 HydrophobicContact CG-CG2 3.98Å
209L89.1Confident89.5Confident7 Ų737.4 Ų37.44%0.03722%0.221CC..Hα-helixtrans-56.9-43.2-173.1-172.862.2000113.3M211 R212 F213 F236 V245 F249 M270 I271L209-M211 PolarHBondContact O-N 3.28Å; L209-R212 WeakPolarHBondContact O-CB 3.29Å; L209-R212 PolarHBondContact O-N 2.98Å; L209-F213 HydrophobicContact CD1-CD2 3.87Å; L209-F213 HydrophobicContact CD1-CE2 3.68Å; L209-F213 HydrophobicContact CG-CD2 4Å; L209-F213 HydrophobicContact CG-CE2 4.04Å; L209-F213 WeakPolarHBondContact O-CD2 3.22Å; L209-F213 PolarHBondContact O-N 2.88Å; L209-F236 HydrophobicContact CD1-CB 4.18Å; L209-F236 HydrophobicContact CD1-CD1 3.92Å; L209-F236 HydrophobicContact CD1-CG 4.18Å; L209-V245 HydrophobicContact CB-CG1 4.45Å; L209-V245 HydrophobicContact CB-CG2 4.1Å; L209-V245 HydrophobicContact CD2-CG2 4.49Å; L209-F249 HydrophobicContact CD2-CD2 4.45Å; L209-F249 HydrophobicContact CD2-CE1 4.41Å; L209-F249 HydrophobicContact CD2-CE2 3.94Å; L209-F249 HydrophobicContact CD2-CZ 3.91Å; L209-M270 HydrophobicContact CB-CE 4.24Å; L209-M270 HydrophobicContact CD1-CB 3.95Å; L209-M270 HydrophobicContact CD1-CE 4.3Å; L209-M270 HydrophobicContact CD2-CB 4.46Å; L209-I271 HydrophobicContact CD1-CG1 4.31Å; L209-I271 HydrophobicContact CD2-CG1 4.3Å
210N87.4Confident89.6Confident33 Ų3337.4 Ų37.418%0.17622%0.221CC..Hα-helixtrans-60.2-45178.362.2-51.1000112.2P208 R212 F213 E214 V245P208-N210 WeakPolarHBondContact CB-OD1 3.36Å; P208-N210 PolarHBondContact O-N 2.79Å; N210-R212 VanDerWaalsContact C-N 3.27Å; N210-R212 PolarHBondContact O-N 3.05Å; N210-F213 PolarHBondContact O-N 2.95Å; N210-F213 VanDerWaalsContact O-N 3.16Å; N210-E214 WeakPolarHBondContact O-CG 3.23Å; N210-E214 PolarHBondContact O-N 2.86Å; N210-V245 HydrophobicContact CB-CG1 4.08Å
211M88.9Confident89.6Confident94 Ų9444.3 Ų44.346%0.46325%0.251SS..Hα-helixtrans-63.6-35.6177.4-71.4-173.1169.100111.7C207 P208 L209 K215C207-M211 HydrophobicContact CB-CB 4.5Å; P208-M211 HydrophobicContact CG-SD 4.5Å; P208-M211 PolarHBondContact O-N 2.99Å; P208-M211 VanDerWaalsContact O-N 3.16Å; L209-M211 PolarHBondContact O-N 3.28Å; M211-K215 WeakPolarHBondContact O-CB 3.38Å; M211-K215 PolarHBondContact O-N 3.24Å
212R92.7Very high89.8Confident2 Ų248.1 Ų48.11%0.00827%0.267CS..Hα-helixtrans-65.6-42.5174.3-60.8-169.266-165.4-2.6111.4Y197 L199 F200 L201 C207 P208 L209 N210 K215 M216 V235 F236Y197-R212 PolarHBondContact O-NH2 3.47Å; L199-R212 PolarHBondContact O-NH2 2.88Å; F200-R212 WeakPolarHBondContact O-CB 3.28Å; F200-R212 WeakPolarHBondContact O-CG 3.21Å; F200-R212 PolarHBondContact O-NE 2.73Å; L201-R212 HydrophobicContact CB-CG 4.42Å; C207-R212 HydrophobicContact CB-CG 4.11Å; P208-R212 WeakPolarHBondContact O-CG 3.5Å; P208-R212 PolarHBondContact O-N 3.39Å; P208-R212 VanDerWaalsContact O-N 3.14Å; L209-R212 WeakPolarHBondContact O-CB 3.29Å; L209-R212 PolarHBondContact O-N 2.98Å; N210-R212 VanDerWaalsContact C-N 3.27Å; N210-R212 PolarHBondContact O-N 3.05Å; R212-K215 PolarHBondContact O-N 2.94Å; R212-M216 VanDerWaalsContact O-CB 3.31Å; R212-M216 WeakPolarHBondContact O-CB 3.5Å; R212-M216 PolarHBondContact O-N 3.07Å; R212-V235 PolarHBondContact NH1-O 2.93Å; R212-V235 PolarHBondContact NH2-O 3.35Å; R212-F236 HydrophobicContact CB-CD1 4.34Å; R212-F236 HydrophobicContact CB-CE1 3.98Å
213F93.3Very high90Very high0 Ų048.6 Ų48.60%027%0.27CS..Hα-helixtrans-64.5-44.9174.9-92.8-105.4000112.1L209 N210 K215 M216 S217 F236 F249 L250 M252 I253 I271L209-F213 HydrophobicContact CD1-CD2 3.87Å; L209-F213 HydrophobicContact CD1-CE2 3.68Å; L209-F213 HydrophobicContact CG-CD2 4Å; L209-F213 HydrophobicContact CG-CE2 4.04Å; L209-F213 WeakPolarHBondContact O-CD2 3.22Å; L209-F213 PolarHBondContact O-N 2.88Å; N210-F213 PolarHBondContact O-N 2.95Å; N210-F213 VanDerWaalsContact O-N 3.16Å; F213-K215 VanDerWaalsContact C-N 3.35Å; F213-K215 PolarHBondContact O-N 3.16Å; F213-M216 HydrophobicContact CD1-CE 3.75Å; F213-M216 HydrophobicContact CE1-CE 3.97Å; F213-M216 HydrophobicContact CG-CE 4.18Å; F213-M216 PolarHBondContact O-N 2.95Å; F213-S217 WeakPolarHBondContact O-CB 3.38Å; F213-S217 PolarHBondContact O-N 3.16Å; F213-S217 PolarHBondContact O-OG 2.97Å; F213-F236 HydrophobicContact CD2-CE1 4.23Å; F213-F236 HydrophobicContact CD2-CZ 4.29Å; F213-F236 HydrophobicContact CE2-CD1 4.4Å; F213-F236 HydrophobicContact CE2-CD2 4.38Å; F213-F236 HydrophobicContact CE2-CE1 4.13Å; F213-F236 HydrophobicContact CE2-CE2 4.1Å; F213-F236 AromaticContact CE2-CZ 3.97Å; F213-F236 HydrophobicContact CE2-CZ 3.97Å; F213-F236 HydrophobicContact CZ-CE2 4.33Å; F213-F236 HydrophobicContact CZ-CZ 4.46Å; F213-F249 HydrophobicContact CD1-CB 4.39Å; F213-F249 AromaticContact CD1-CD2 3.9Å; F213-F249 HydrophobicContact CD1-CD2 3.9Å; F213-F249 WeakPolarHBondContact CD1-O 3.44Å; F213-F249 AromaticContact CD2-CD2 3.95Å; F213-F249 HydrophobicContact CD2-CD2 3.95Å; F213-F249 AromaticContact CE1-CD2 3.65Å; F213-F249 HydrophobicContact CE1-CD2 3.65Å; F213-F249 HydrophobicContact CE1-CE2 4.25Å; F213-F249 AromaticContact CE2-CD2 3.73Å; F213-F249 HydrophobicContact CE2-CD2 3.73Å; F213-F249 AromaticContact CE2-CE2 3.97Å; F213-F249 HydrophobicContact CE2-CE2 3.97Å; F213-F249 HydrophobicContact CG-CB 4.35Å; F213-F249 HydrophobicContact CG-CD2 4.03Å; F213-F249 AromaticContact CZ-CD2 3.58Å; F213-F249 HydrophobicContact CZ-CD2 3.58Å; F213-F249 AromaticContact CZ-CE2 3.78Å; F213-F249 HydrophobicContact CZ-CE2 3.78Å; F213-L250 HydrophobicContact CE1-CD2 4.38Å; F213-L250 HydrophobicContact CZ-CD2 4.3Å; F213-M252 HydrophobicContact CB-SD 4.06Å; F213-I253 HydrophobicContact CD1-CD1 4.42Å; F213-I253 HydrophobicContact CD1-CG1 4.22Å; F213-I253 HydrophobicContact CE1-CD1 3.61Å; F213-I253 HydrophobicContact CE1-CG1 3.87Å; F213-I253 HydrophobicContact CZ-CD1 4.29Å; F213-I271 HydrophobicContact CE2-CD1 4.07Å; F213-I271 HydrophobicContact CE2-CG1 4.15Å; F213-I271 HydrophobicContact CZ-CD1 3.77Å; F213-I271 HydrophobicContact CZ-CG1 4.23Å
214E93.1Very high90.5Very high99 Ų9947 Ų4746%0.46326%0.259SS..Hα-helixtrans-58.7-45.8175.1-73.8169.1-165.600111.5N210 S217 A218 M252N210-E214 WeakPolarHBondContact O-CG 3.23Å; N210-E214 PolarHBondContact O-N 2.86Å; E214-S217 PolarHBondContact O-N 2.9Å; E214-A218 WeakPolarHBondContact O-CB 3.36Å; E214-A218 PolarHBondContact O-N 3.38Å; E214-M252 HydrophobicContact CG-CE 4.2Å; E214-M252 HydrophobicContact CG-SD 4.26Å
215K94.4Very high91.2Very high88 Ų8843.8 Ų43.838%0.38324%0.239SC..Hα-helixtrans-61.4-46.9175.9179.166.1177.2179.80111.7D173 L201 M211 R212 F213 A218 F219D173-K215 WeakPolarHBondContact OD2-CE 3.41Å; L201-K215 HydrophobicContact CD1-CB 4.14Å; L201-K215 HydrophobicContact CD1-CG 4.38Å; L201-K215 HydrophobicContact CG-CB 4.26Å; L201-K215 HydrophobicContact CG-CG 4.06Å; M211-K215 WeakPolarHBondContact O-CB 3.38Å; M211-K215 PolarHBondContact O-N 3.24Å; R212-K215 PolarHBondContact O-N 2.94Å; F213-K215 VanDerWaalsContact C-N 3.35Å; F213-K215 PolarHBondContact O-N 3.16Å; K215-A218 PolarHBondContact O-N 3.13Å; K215-F219 WeakPolarHBondContact O-CB 3.23Å; K215-F219 PolarHBondContact O-N 3.09Å
216M96.3Very high92.2Very high0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-60.8-49.8178.6177.9-17560.800111F200 R212 F213 A218 F219 L220 L232 F236 I253F200-M216 HydrophobicContact CB-CB 4.07Å; F200-M216 HydrophobicContact CD1-CB 3.8Å; F200-M216 HydrophobicContact CD1-CG 4.1Å; F200-M216 HydrophobicContact CD2-CB 3.93Å; F200-M216 HydrophobicContact CD2-CG 3.88Å; F200-M216 HydrophobicContact CD2-SD 4.15Å; F200-M216 HydrophobicContact CE1-CB 4.19Å; F200-M216 HydrophobicContact CE1-CG 4.01Å; F200-M216 HydrophobicContact CE2-CB 4.31Å; F200-M216 HydrophobicContact CE2-CG 3.78Å; F200-M216 HydrophobicContact CE2-SD 4.02Å; F200-M216 HydrophobicContact CG-CB 3.65Å; F200-M216 HydrophobicContact CG-CG 4.04Å; F200-M216 HydrophobicContact CZ-CB 4.44Å; F200-M216 HydrophobicContact CZ-CG 3.84Å; R212-M216 VanDerWaalsContact O-CB 3.31Å; R212-M216 WeakPolarHBondContact O-CB 3.5Å; R212-M216 PolarHBondContact O-N 3.07Å; F213-M216 HydrophobicContact CD1-CE 3.75Å; F213-M216 HydrophobicContact CE1-CE 3.97Å; F213-M216 HydrophobicContact CG-CE 4.18Å; F213-M216 PolarHBondContact O-N 2.95Å; M216-A218 PolarHBondContact O-N 3.3Å; M216-F219 WeakPolarHBondContact O-CB 3.43Å; M216-F219 PolarHBondContact O-N 3.22Å; M216-L220 HydrophobicContact CG-CD1 3.62Å; M216-L220 HydrophobicContact CG-CG 4.16Å; M216-L220 WeakPolarHBondContact O-CB 3.46Å; M216-L220 VanDerWaalsContact O-CG 3.29Å; M216-L220 WeakPolarHBondContact O-CG 3.4Å; M216-L220 PolarHBondContact O-N 2.69Å; M216-L220 HydrophobicContact SD-CD1 4.25Å; M216-L232 HydrophobicContact CE-CD1 4.24Å; M216-L232 HydrophobicContact SD-CD1 3.56Å; M216-L232 VanDerWaalsContact SD-CD1 3.56Å; M216-L232 HydrophobicContact SD-CD2 3.86Å; M216-L232 HydrophobicContact SD-CG 4.38Å; M216-F236 HydrophobicContact CE-CZ 4.17Å; M216-F236 HydrophobicContact SD-CE2 4.4Å; M216-F236 HydrophobicContact SD-CZ 3.81Å; M216-I253 HydrophobicContact CE-CD1 3.84Å; M216-I253 HydrophobicContact CE-CG1 3.55Å
217S96Very high93.3Very high12 Ų1240.8 Ų40.88%0.08421%0.208CC..Hα-helixtrans-60.2-44178-72.40000111.7F213 E214 F219 K221 M252 T256F213-S217 WeakPolarHBondContact O-CB 3.38Å; F213-S217 PolarHBondContact O-N 3.16Å; F213-S217 PolarHBondContact O-OG 2.97Å; E214-S217 PolarHBondContact O-N 2.9Å; S217-F219 VanDerWaalsContact C-N 3.35Å; S217-F219 PolarHBondContact O-N 3.13Å; S217-K221 WeakPolarHBondContact O-CB 3.49Å; S217-K221 PolarHBondContact O-N 3.1Å; S217-M252 WeakPolarHBondContact OG-CB 3.2Å; S217-M252 PolarHBondContact OG-O 3.4Å; S217-T256 VanDerWaalsContact CB-OG1 3.31Å; S217-T256 WeakPolarHBondContact CB-OG1 3.5Å; S217-T256 WeakPolarHBondContact O-CG2 3.36Å; S217-T256 PolarHBondContact OG-OG1 2.72Å
218A96.2Very high93.8Very high45 Ų4542.1 Ų42.137%0.37221%0.212SC..Hα-helixtrans-60.9-43.8174.700000112E214 K215 M216 Q222E214-A218 WeakPolarHBondContact O-CB 3.36Å; E214-A218 PolarHBondContact O-N 3.38Å; K215-A218 PolarHBondContact O-N 3.13Å; M216-A218 PolarHBondContact O-N 3.3Å; A218-Q222 WeakPolarHBondContact O-CB 3.41Å; A218-Q222 VanDerWaalsContact O-CG 3.28Å; A218-Q222 WeakPolarHBondContact O-CG 3.1Å; A218-Q222 PolarHBondContact O-N 2.8Å
219F96.3Very high94.4Very high17 Ų1742.8 Ų42.88%0.07521%0.211CC..Hα-helixtrans-61-57.7177-176.8-86.3000111.1D173 L176 I180 F200 K215 M216 S217 K221 Q222 T223D173-F219 HydrophobicContact CB-CD2 4.26Å; D173-F219 HydrophobicContact CB-CE2 4.07Å; D173-F219 WeakPolarHBondContact O-CE2 3.21Å; L176-F219 HydrophobicContact CB-CZ 4.04Å; L176-F219 HydrophobicContact CD2-CD1 4.45Å; L176-F219 HydrophobicContact CD2-CE1 3.53Å; L176-F219 HydrophobicContact CD2-CZ 3.83Å; L176-F219 HydrophobicContact CG-CE1 3.84Å; L176-F219 HydrophobicContact CG-CZ 3.75Å; I180-F219 HydrophobicContact CD1-CE1 4.32Å; F200-F219 HydrophobicContact CE1-CB 4.3Å; F200-F219 AromaticContact CE1-CD1 3.97Å; F200-F219 HydrophobicContact CE1-CD1 3.97Å; F200-F219 HydrophobicContact CE1-CG 4.16Å; K215-F219 WeakPolarHBondContact O-CB 3.23Å; K215-F219 PolarHBondContact O-N 3.09Å; M216-F219 WeakPolarHBondContact O-CB 3.43Å; M216-F219 PolarHBondContact O-N 3.22Å; S217-F219 VanDerWaalsContact C-N 3.35Å; S217-F219 PolarHBondContact O-N 3.13Å; F219-K221 VanDerWaalsContact C-N 3.3Å; F219-K221 PolarHBondContact O-N 2.7Å; F219-Q222 PolarHBondContact O-N 3.45Å; F219-T223 HydrophobicContact CD1-CG2 4.25Å; F219-T223 WeakPolarHBondContact CD1-OG1 3.24Å; F219-T223 HydrophobicContact CD2-CG2 4.25Å; F219-T223 HydrophobicContact CE1-CG2 3.97Å; F219-T223 VanDerWaalsContact CE1-OG1 3.27Å; F219-T223 WeakPolarHBondContact CE1-OG1 3.14Å; F219-T223 HydrophobicContact CE2-CG2 3.99Å; F219-T223 HydrophobicContact CG-CG2 4.37Å; F219-T223 HydrophobicContact CZ-CG2 3.84Å; F219-T223 PolarHBondContact O-N 3.02Å; F219-T223 PolarHBondContact O-OG1 2.92Å
220L96.7Very high94.9Very high0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-59.3-39.6-176.9-66.7172.9000112.1L191 M216 Q222 C224 L230 T256 L257L191-L220 HydrophobicContact CD2-CD2 4.1Å; M216-L220 HydrophobicContact CG-CD1 3.62Å; M216-L220 HydrophobicContact CG-CG 4.16Å; M216-L220 WeakPolarHBondContact O-CB 3.46Å; M216-L220 VanDerWaalsContact O-CG 3.29Å; M216-L220 WeakPolarHBondContact O-CG 3.4Å; M216-L220 PolarHBondContact O-N 2.69Å; M216-L220 HydrophobicContact SD-CD1 4.25Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.76Å; L220-C224 VanDerWaalsContact CD2-SG 3.59Å; L220-C224 CarbonylContact O-C 3.31Å; L220-C224 PolarHBondContact O-N 2.79Å; L220-L230 HydrophobicContact CD1-CD2 3.89Å; L220-T256 HydrophobicContact CB-CG2 4.2Å; L220-L257 HydrophobicContact CB-CD2 4.22Å; L220-L257 HydrophobicContact CD1-CD1 4.1Å
221K95.3Very high95.4Very high147 Ų14741.1 Ų41.164%0.63920%0.202SC*.Hα-helixtrans-59.8-39175.1-168.2174.6179179.30112.4S217 F219 T256S217-K221 WeakPolarHBondContact O-CB 3.49Å; S217-K221 PolarHBondContact O-N 3.1Å; F219-K221 VanDerWaalsContact C-N 3.3Å; F219-K221 PolarHBondContact O-N 2.7Å; K221-T256 HydrophobicContact CB-CG2 3.81Å
222Q93.7Very high95.8Very high143 Ų14336.7 Ų36.767%0.66818%0.18SC*.Hα-helixtrans-83.4-35.1-177.3-71.5176.1100112.6A184 A218 F219 L220A184-Q222 WeakPolarHBondContact CA-O 3.49Å; A184-Q222 VanDerWaalsContact CB-O 3.23Å; A184-Q222 WeakPolarHBondContact CB-O 3.22Å; A218-Q222 WeakPolarHBondContact O-CB 3.41Å; A218-Q222 VanDerWaalsContact O-CG 3.28Å; A218-Q222 WeakPolarHBondContact O-CG 3.1Å; A218-Q222 PolarHBondContact O-N 2.8Å; F219-Q222 PolarHBondContact O-N 3.45Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.76Å
223T93.6Very high96Very high13 Ų1337 Ų378%0.0818%0.183CC..Hα-helixtrans-100.8-36.2-170.260.10000114.2A184 S185 F219A184-T223 CarbonylContact C-O 3.48Å; S185-T223 PolarHBondContact N-O 3.35Å; F219-T223 HydrophobicContact CD1-CG2 4.25Å; F219-T223 WeakPolarHBondContact CD1-OG1 3.24Å; F219-T223 HydrophobicContact CD2-CG2 4.25Å; F219-T223 HydrophobicContact CE1-CG2 3.97Å; F219-T223 VanDerWaalsContact CE1-OG1 3.27Å; F219-T223 WeakPolarHBondContact CE1-OG1 3.14Å; F219-T223 HydrophobicContact CE2-CG2 3.99Å; F219-T223 HydrophobicContact CG-CG2 4.37Å; F219-T223 HydrophobicContact CZ-CG2 3.84Å; F219-T223 PolarHBondContact O-N 3.02Å; F219-T223 PolarHBondContact O-OG1 2.92Å
224C95.1Very high96.1Very high0 Ų037.8 Ų37.80%019%0.188CC..  trans-150.962.5-173.249.10000112.7L188 L220 H226 L227 L257L188-C224 HydrophobicContact CD2-CB 3.9Å; L220-C224 VanDerWaalsContact CD2-SG 3.59Å; L220-C224 CarbonylContact O-C 3.31Å; L220-C224 PolarHBondContact O-N 2.79Å; C224-H226 PolarHBondContact O-N 2.86Å; C224-H226 VanDerWaalsContact O-N 3.16Å; C224-L227 WeakPolarHBondContact O-CB 3.39Å; C224-L227 PolarHBondContact O-N 3.4Å; C224-L257 WeakPolarHBondContact O-CD2 3.29Å
225P95.3Very high96.2Very high35 Ų3533 Ų3323%0.22717%0.166CC..THydrogen-bonded Turntrans-69.3-13-174.728.3-36.1000115
226H95.9Very high96.2Very high50 Ų5028.9 Ų28.923%0.23115%0.148CC..THydrogen-bonded Turntrans-100.116.8-178.4-69.4-75.7000114K189 C224 Y259K189-H226 PolarHBondContact NZ-O 3.07Å; C224-H226 PolarHBondContact O-N 2.86Å; C224-H226 VanDerWaalsContact O-N 3.16Å; H226-Y259 HydrophobicContact CB-CD2 4.48Å; H226-Y259 AromaticContact CE1-CE2 3.67Å; H226-Y259 AromaticContact ND1-CD2 3.63Å; H226-Y259 AromaticContact ND1-CE2 3.1Å; H226-Y259 WeakPolarHBondContact ND1-CE2 3.38Å; H226-Y259 AromaticContact ND1-CZ 3.66Å
227L97.3Very high95.8Very high0 Ų031.5 Ų31.50%016%0.162CC..  trans-63.3135.6179.7-161.973.2000111.1L188 K189 L191 C224 E229 L230 L257 Y259 L260L188-L227 HydrophobicContact CD2-CD1 4.3Å; L188-L227 HydrophobicContact CG-CD1 4.1Å; K189-L227 WeakPolarHBondContact O-CD1 3.11Å; L191-L227 HydrophobicContact CB-CD1 3.65Å; L191-L227 HydrophobicContact CB-CD2 3.87Å; L191-L227 HydrophobicContact CB-CG 4.41Å; L191-L227 HydrophobicContact CD2-CD2 4.44Å; C224-L227 WeakPolarHBondContact O-CB 3.39Å; C224-L227 PolarHBondContact O-N 3.4Å; L227-E229 WeakPolarHBondContact CG-O 3.41Å; L227-L230 HydrophobicContact CD2-CB 3.71Å; L227-L230 HydrophobicContact CD2-CD1 3.8Å; L227-L230 HydrophobicContact CD2-CD2 4.34Å; L227-L230 HydrophobicContact CD2-CG 4.14Å; L227-L257 HydrophobicContact CB-CD1 4.15Å; L227-L257 HydrophobicContact CB-CD2 4.09Å; L227-L257 HydrophobicContact CD2-CD1 3.93Å; L227-Y259 CarbonylContact O-C 3.56Å; L227-L260 PolarHBondContact O-N 2.76Å
228E97.8Very high94.8Very high57 Ų5732.1 Ų32.127%0.26617%0.166SC..SBendtrans-107-33-178.6-75.7167.3-163.100111.1K189 H261 T262K189-E228 HydrophobicContact CB-CB 4.43Å; K189-E228 HydrophobicContact CD-CG 4.16Å; K189-E228 WeakPolarHBondContact CD-OE1 3.25Å; K189-E228 VanDerWaalsContact CE-OE1 3.23Å; K189-E228 WeakPolarHBondContact CE-OE1 3.38Å; K189-E228 IonicContact NZ-OE1 2.77Å; K189-E228 PolarHBondContact NZ-OE1 3.15Å; K189-E228 PolarHBondContact O-N 3.14Å; E228-H261 PolarHBondContact O-N 3.03Å; E228-T262 PolarHBondContact O-N 2.71Å; E228-T262 VanDerWaalsContact O-N 3.09Å
229E98.4Very high93.1Very high57 Ų5737.6 Ų37.627%0.26618%0.183SC..EExtended strand (participates in β ladder)trans-132128.5179.8-48.9-164.8-172.200111.8K189 Y190 L191 L227 H261 T262K189-E229 PolarHBondContact O-N 3.16Å; Y190-E229 HydrophobicContact CD2-CB 3.63Å; Y190-E229 HydrophobicContact CD2-CG 4.27Å; Y190-E229 VanDerWaalsContact CD2-OE2 3.3Å; Y190-E229 WeakPolarHBondContact CD2-OE2 3.47Å; Y190-E229 HydrophobicContact CE2-CB 4.26Å; Y190-E229 WeakPolarHBondContact CE2-OE2 3.5Å; Y190-E229 HydrophobicContact CG-CB 4.43Å; L191-E229 PolarHBondContact N-O 2.85Å; L227-E229 WeakPolarHBondContact CG-O 3.41Å; E229-H261 IonicContact OE1-CE1 3.29Å; E229-T262 WeakPolarHBondContact CA-O 3.45Å; E229-T262 HydrophobicContact CB-CG2 4.36Å; E229-T262 HydrophobicContact CG-CG2 4.43Å
230L98.6Very high91.2Very high1 Ų142.1 Ų42.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-132.1122.3-178.2-179.356000111.2L191 L220 L227 L232 I253 L257 L260 T262 L263 N264L191-L230 HydrophobicContact CB-CD1 4.25Å; L191-L230 HydrophobicContact CD2-CD1 4.06Å; L191-L230 HydrophobicContact CG-CD1 4.2Å; L191-L230 WeakPolarHBondContact O-CA 3.27Å; L220-L230 HydrophobicContact CD1-CD2 3.89Å; L227-L230 HydrophobicContact CD2-CB 3.71Å; L227-L230 HydrophobicContact CD2-CD1 3.8Å; L227-L230 HydrophobicContact CD2-CD2 4.34Å; L227-L230 HydrophobicContact CD2-CG 4.14Å; L230-L232 HydrophobicContact CD1-CD2 4.12Å; L230-L232 HydrophobicContact CD1-CG 4.09Å; L230-L232 HydrophobicContact CD2-CD1 3.77Å; L230-L232 HydrophobicContact CD2-CG 4.1Å; L230-L232 HydrophobicContact CG-CD1 4.05Å; L230-L232 HydrophobicContact CG-CD2 4.39Å; L230-L232 HydrophobicContact CG-CG 3.85Å; L230-I253 HydrophobicContact CD2-CG2 4.1Å; L230-L257 HydrophobicContact CD2-CD1 3.93Å; L230-L260 HydrophobicContact CB-CD1 3.64Å; L230-T262 PolarHBondContact N-O 3.11Å; L230-L263 HydrophobicContact CB-CD1 4.17Å; L230-L263 HydrophobicContact CD2-CD1 4.18Å; L230-L263 HydrophobicContact CG-CD1 4.19Å; L230-L263 CarbonylContact O-C 3.58Å; L230-L263 WeakPolarHBondContact O-CA 3.45Å; L230-N264 PolarHBondContact O-N 2.79Å
231D98.4Very high89.2Confident4 Ų447 Ų472%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-111.2113.2172.7-172.1-12.1000111.5L191 N192 V193 S233 N264 F363L191-D231 PolarHBondContact O-N 2.94Å; N192-D231 HydrophobicContact CB-CB 3.93Å; N192-D231 PolarHBondContact ND2-OD2 2.97Å; V193-D231 WeakPolarHBondContact CG2-O 3.36Å; V193-D231 PolarHBondContact N-O 3.23Å; D231-S233 VanDerWaalsContact OD1-CB 3.29Å; D231-S233 WeakPolarHBondContact OD1-CB 3.41Å; D231-S233 PolarHBondContact OD1-N 3.5Å; D231-S233 PolarHBondContact OD1-OG 3.37Å; D231-N264 HydrophobicContact CB-CB 4.1Å; D231-N264 WeakPolarHBondContact OD1-CB 3.37Å; D231-N264 PolarHBondContact OD1-ND2 3.05Å; D231-N264 PolarHBondContact OD2-ND2 3.36Å; D231-F363 HydrophobicContact CB-CD1 4.4Å; D231-F363 HydrophobicContact CB-CE1 3.9Å; D231-F363 WeakPolarHBondContact OD2-CD1 3.39Å
232L97.8Very high87.4Confident0 Ų048.9 Ų48.90%025%0.245CC..  trans-115.419.8179-64.4167.3000111.5V193 F200 M216 L230 S234 V235 F236 I253 L263 N264 L265 N268V193-L232 HydrophobicContact CG2-CD2 3.79Å; F200-L232 HydrophobicContact CE2-CD2 3.99Å; M216-L232 HydrophobicContact CE-CD1 4.24Å; M216-L232 HydrophobicContact SD-CD1 3.56Å; M216-L232 VanDerWaalsContact SD-CD1 3.56Å; M216-L232 HydrophobicContact SD-CD2 3.86Å; M216-L232 HydrophobicContact SD-CG 4.38Å; L230-L232 HydrophobicContact CD1-CD2 4.12Å; L230-L232 HydrophobicContact CD1-CG 4.09Å; L230-L232 HydrophobicContact CD2-CD1 3.77Å; L230-L232 HydrophobicContact CD2-CG 4.1Å; L230-L232 HydrophobicContact CG-CD1 4.05Å; L230-L232 HydrophobicContact CG-CD2 4.39Å; L230-L232 HydrophobicContact CG-CG 3.85Å; L232-S234 PolarHBondContact O-N 3.02Å; L232-V235 HydrophobicContact CB-CG2 4.32Å; L232-V235 HydrophobicContact CD2-CG2 4.39Å; L232-V235 WeakPolarHBondContact O-CB 3.31Å; L232-V235 WeakPolarHBondContact O-CG2 3.35Å; L232-V235 PolarHBondContact O-N 2.87Å; L232-F236 HydrophobicContact CB-CE2 4.4Å; L232-F236 HydrophobicContact CD1-CE2 4.36Å; L232-I253 HydrophobicContact CD1-CD1 3.99Å; L232-L263 HydrophobicContact CD1-CD1 4.25Å; L232-N264 CarbonylContact C-O 3.45Å; L232-N264 WeakPolarHBondContact CA-O 3.43Å; L232-N264 PolarHBondContact N-O 2.77Å; L232-L265 HydrophobicContact CB-CD2 4.36Å; L232-L265 HydrophobicContact CD1-CD2 4.14Å; L232-N268 PolarHBondContact O-ND2 2.71Å; L232-N268 PolarHBondContact O-OD1 3.32Å
233S97Very high85.6Confident9 Ų945.8 Ų45.86%0.06324%0.235CC..THydrogen-bonded Turntrans-58.5135.5-179.752.20000111.3S194 K195 D231 V235 S266S194-S233 CarbonylContact C-O 3.55Å; S194-S233 WeakPolarHBondContact CA-O 3.31Å; S194-S233 WeakPolarHBondContact CB-OG 3.23Å; K195-S233 PolarHBondContact N-O 2.85Å; D231-S233 VanDerWaalsContact OD1-CB 3.29Å; D231-S233 WeakPolarHBondContact OD1-CB 3.41Å; D231-S233 PolarHBondContact OD1-N 3.5Å; D231-S233 PolarHBondContact OD1-OG 3.37Å; S233-V235 VanDerWaalsContact C-N 3.26Å; S233-V235 PolarHBondContact O-N 2.82Å; S233-V235 VanDerWaalsContact O-N 3.17Å; S233-S266 CarbonylContact C-O 3.52Å; S233-S266 WeakPolarHBondContact CA-O 3.41Å; S233-S266 WeakPolarHBondContact CB-O 3.42Å
234S95.2Very high83.8Confident16 Ų1650.8 Ų50.811%0.11227%0.268CS..THydrogen-bonded Turntrans56.429.9-179.5-80.10000115.8K195 L232 I237 S266 E267K195-S234 WeakPolarHBondContact CA-O 3.46Å; L232-S234 PolarHBondContact O-N 3.02Å; S234-I237 WeakPolarHBondContact O-CG2 3.41Å; S234-S266 PolarHBondContact N-O 3.18Å; S234-S266 VanDerWaalsContact N-O 3.08Å; S234-E267 WeakPolarHBondContact CA-O 3.28Å; S234-E267 WeakPolarHBondContact OG-CB 3.25Å; S234-E267 PolarHBondContact OG-O 3.01Å; S234-E267 PolarHBondContact OG-OE2 3.25Å; S234-E267 VanDerWaalsContact OG-OE2 3.11Å
235V95.4Very high82.2Confident0 Ų051.9 Ų51.90%028%0.275CS..SBendtrans-91.5-34.1175.8175.10000112.2V193 F200 R212 L232 S233 N268V193-V235 HydrophobicContact CG2-CG2 4.25Å; V193-V235 VanDerWaalsContact O-CG2 3.28Å; V193-V235 WeakPolarHBondContact O-CG2 3.46Å; F200-V235 HydrophobicContact CD2-CG1 4.17Å; F200-V235 HydrophobicContact CE2-CG1 4.45Å; R212-V235 PolarHBondContact NH1-O 2.93Å; R212-V235 PolarHBondContact NH2-O 3.35Å; L232-V235 HydrophobicContact CB-CG2 4.32Å; L232-V235 HydrophobicContact CD2-CG2 4.39Å; L232-V235 WeakPolarHBondContact O-CB 3.31Å; L232-V235 WeakPolarHBondContact O-CG2 3.35Å; L232-V235 PolarHBondContact O-N 2.87Å; S233-V235 VanDerWaalsContact C-N 3.26Å; S233-V235 PolarHBondContact O-N 2.82Å; S233-V235 VanDerWaalsContact O-N 3.17Å; V235-N268 PolarHBondContact N-OD1 3.05Å; V235-N268 VanDerWaalsContact N-OD1 3.08Å
236F93.4Very high80.8Confident0 Ų052.9 Ų52.90%029%0.286CS..  trans-106.768.8-175.5-53.3-78.6000111.3F200 L209 R212 F213 M216 L232 N268 M270 I271F200-F236 HydrophobicContact CD2-CZ 4.48Å; L209-F236 HydrophobicContact CD1-CB 4.18Å; L209-F236 HydrophobicContact CD1-CD1 3.92Å; L209-F236 HydrophobicContact CD1-CG 4.18Å; R212-F236 HydrophobicContact CB-CD1 4.34Å; R212-F236 HydrophobicContact CB-CE1 3.98Å; F213-F236 HydrophobicContact CD2-CE1 4.23Å; F213-F236 HydrophobicContact CD2-CZ 4.29Å; F213-F236 HydrophobicContact CE2-CD1 4.4Å; F213-F236 HydrophobicContact CE2-CD2 4.38Å; F213-F236 HydrophobicContact CE2-CE1 4.13Å; F213-F236 HydrophobicContact CE2-CE2 4.1Å; F213-F236 AromaticContact CE2-CZ 3.97Å; F213-F236 HydrophobicContact CE2-CZ 3.97Å; F213-F236 HydrophobicContact CZ-CE2 4.33Å; F213-F236 HydrophobicContact CZ-CZ 4.46Å; M216-F236 HydrophobicContact CE-CZ 4.17Å; M216-F236 HydrophobicContact SD-CE2 4.4Å; M216-F236 HydrophobicContact SD-CZ 3.81Å; L232-F236 HydrophobicContact CB-CE2 4.4Å; L232-F236 HydrophobicContact CD1-CE2 4.36Å; F236-N268 WeakPolarHBondContact CA-OD1 3.32Å; F236-N268 HydrophobicContact CB-CB 4.28Å; F236-N268 WeakPolarHBondContact CB-OD1 3.43Å; F236-N268 WeakPolarHBondContact CD2-OD1 3.21Å; F236-N268 PolarHBondContact N-OD1 3.26Å; F236-M270 HydrophobicContact CB-CB 4.1Å; F236-M270 HydrophobicContact CB-SD 4.25Å; F236-M270 VanDerWaalsContact O-CB 3.26Å; F236-M270 WeakPolarHBondContact O-CB 3.5Å; F236-M270 VanDerWaalsContact O-CG 3.26Å; F236-M270 WeakPolarHBondContact O-CG 3.24Å; F236-M270 PolarHBondContact O-N 2.94Å; F236-I271 HydrophobicContact CB-CG1 4.34Å; F236-I271 HydrophobicContact CD2-CD1 3.81Å; F236-I271 HydrophobicContact CD2-CG1 4.39Å; F236-I271 HydrophobicContact CE2-CD1 4.39Å; F236-I271 HydrophobicContact CG-CD1 4.43Å
237I88Confident79.2Confident56 Ų5653.8 Ų53.829%0.28730%0.295SS..  trans-104.3-0.5-169.964.2169.7000116.5Y197 S234 P269Y197-I237 HydrophobicContact CD1-CD1 3.91Å; Y197-I237 HydrophobicContact CG-CD1 3.78Å; Y197-I237 HydrophobicContact CG-CG1 4.39Å; S234-I237 WeakPolarHBondContact O-CG2 3.41Å; I237-P269 HydrophobicContact CB-CG 4.33Å; I237-P269 HydrophobicContact CG2-CG 4.47Å
238S75.1Confident78.3Confident25 Ų2557 Ų5718%0.17532%0.315CS..  trans-72.5146.7-172.4-171.90000113.7M270S238-M270 PolarHBondContact N-SD 3.43Å; S238-M270 VanDerWaalsContact N-SD 3.41Å; S238-M270 WeakPolarHBondContact O-CG 3.35Å
239H59.9Low77.8Confident159 Ų15954.4 Ų54.474%0.73630%0.302SS*.  trans-88.66.2-178-59.7-62.7000115I241H239-I241 WeakPolarHBondContact O-CG1 3.43Å; H239-I241 PolarHBondContact O-N 2.9Å
240N58.2Low77.6Confident113 Ų11352 Ų5260%0.60429%0.291SS*.  trans-7994.1178-79.5-6.2000110.9
241I54.9Low77.4Confident101 Ų10152.1 Ų52.152%0.51829%0.292SS..  trans-88.99.8-171.4-64.1165.5000113.5H239 V243H239-I241 WeakPolarHBondContact O-CG1 3.43Å; H239-I241 PolarHBondContact O-N 2.9Å; I241-V243 PolarHBondContact O-N 2.78Å
242Q55.5Low77.2Confident188 Ų18854.1 Ų54.188%0.87930%0.302SS*.  trans-93.213.7-159.6-72-169.1-11.500118.6
243V57.2Low77.1Confident78 Ų7854.1 Ų54.147%0.47330%0.302SS..SBendtrans-125.7127.7179.9-167.10000111.6P208 I241 V245P208-V243 HydrophobicContact CB-CB 4.31Å; P208-V243 HydrophobicContact CB-CG2 4.17Å; P208-V243 HydrophobicContact CG-CG2 3.98Å; I241-V243 PolarHBondContact O-N 2.78Å; V243-V245 WeakPolarHBondContact O-CG2 3.35Å; V243-V245 PolarHBondContact O-N 3.33Å; V243-V245 VanDerWaalsContact O-N 3.15Å
244P55.8Low77Confident118 Ų11853.8 Ų53.877%0.76630%0.3SS*.PPolyproline II helixtrans-54.9118167.8-20.530.8000109.4
245V60.9Low77Confident23 Ų2356 Ų5614%0.13931%0.31CS..PPolyproline II helixtrans-92.4132.9-179.2-171.10000108.1L209 N210 V243 T247 F249 S274L209-V245 HydrophobicContact CB-CG1 4.45Å; L209-V245 HydrophobicContact CB-CG2 4.1Å; L209-V245 HydrophobicContact CD2-CG2 4.49Å; N210-V245 HydrophobicContact CB-CG1 4.08Å; V243-V245 WeakPolarHBondContact O-CG2 3.35Å; V243-V245 PolarHBondContact O-N 3.33Å; V243-V245 VanDerWaalsContact O-N 3.15Å; V245-T247 PolarHBondContact O-N 3.16Å; V245-F249 HydrophobicContact CB-CD1 4.36Å; V245-F249 HydrophobicContact CG1-CB 4.26Å; V245-F249 HydrophobicContact CG1-CD1 3.38Å; V245-F249 HydrophobicContact CG1-CE1 3.89Å; V245-F249 HydrophobicContact CG1-CG 3.96Å; V245-S274 WeakPolarHBondContact CB-OG 3.46Å; V245-S274 VanDerWaalsContact CG2-OG 3.23Å; V245-S274 WeakPolarHBondContact CG2-OG 3.34Å
246A65.2Low77Confident56 Ų5657.2 Ų57.246%0.46332%0.318SS..PPolyproline II helixtrans-54.2132.3172.800000110.4T248 F249A246-T248 PolarHBondContact O-N 2.83Å; A246-F249 VanDerWaalsContact O-CD1 3.31Å; A246-F249 WeakPolarHBondContact O-CD1 3.37Å; A246-F249 PolarHBondContact O-N 2.78Å
247T64.2Low77.2Confident69 Ų6957.2 Ų57.242%0.42332%0.318SS..THydrogen-bonded Turntrans-66.4-3.4-167.162.70000115.4V245 Q278 S288V245-T247 PolarHBondContact O-N 3.16Å; T247-Q278 HydrophobicContact CG2-CG 4.43Å; T247-S288 WeakPolarHBondContact CB-OG 3.5Å; T247-S288 VanDerWaalsContact O-CB 3.26Å; T247-S288 WeakPolarHBondContact O-CB 3.25Å; T247-S288 PolarHBondContact O-OG 2.74Å
248T77.2Confident77.6Confident67 Ų6756 Ų5641%0.41131%0.314SS..THydrogen-bonded Turntrans-115.110-172.355.20000113.3A246 L250 S251A246-T248 PolarHBondContact O-N 2.83Å; T248-L250 VanDerWaalsContact C-N 3.27Å; T248-L250 PolarHBondContact O-N 2.85Å; T248-S251 WeakPolarHBondContact O-CB 3.39Å; T248-S251 PolarHBondContact O-N 2.97Å; T248-S251 VanDerWaalsContact O-N 3.15Å
249F88Confident78.6Confident2 Ų259.5 Ų59.51%0.00932%0.324CS..G310 helixtrans-59-35.5-176.572.2-95.7000113.2L209 F213 V245 A246 S251 M252 I271 L275L209-F249 HydrophobicContact CD2-CD2 4.45Å; L209-F249 HydrophobicContact CD2-CE1 4.41Å; L209-F249 HydrophobicContact CD2-CE2 3.94Å; L209-F249 HydrophobicContact CD2-CZ 3.91Å; F213-F249 HydrophobicContact CD1-CB 4.39Å; F213-F249 AromaticContact CD1-CD2 3.9Å; F213-F249 HydrophobicContact CD1-CD2 3.9Å; F213-F249 WeakPolarHBondContact CD1-O 3.44Å; F213-F249 AromaticContact CD2-CD2 3.95Å; F213-F249 HydrophobicContact CD2-CD2 3.95Å; F213-F249 AromaticContact CE1-CD2 3.65Å; F213-F249 HydrophobicContact CE1-CD2 3.65Å; F213-F249 HydrophobicContact CE1-CE2 4.25Å; F213-F249 AromaticContact CE2-CD2 3.73Å; F213-F249 HydrophobicContact CE2-CD2 3.73Å; F213-F249 AromaticContact CE2-CE2 3.97Å; F213-F249 HydrophobicContact CE2-CE2 3.97Å; F213-F249 HydrophobicContact CG-CB 4.35Å; F213-F249 HydrophobicContact CG-CD2 4.03Å; F213-F249 AromaticContact CZ-CD2 3.58Å; F213-F249 HydrophobicContact CZ-CD2 3.58Å; F213-F249 AromaticContact CZ-CE2 3.78Å; F213-F249 HydrophobicContact CZ-CE2 3.78Å; V245-F249 HydrophobicContact CB-CD1 4.36Å; V245-F249 HydrophobicContact CG1-CB 4.26Å; V245-F249 HydrophobicContact CG1-CD1 3.38Å; V245-F249 HydrophobicContact CG1-CE1 3.89Å; V245-F249 HydrophobicContact CG1-CG 3.96Å; A246-F249 VanDerWaalsContact O-CD1 3.31Å; A246-F249 WeakPolarHBondContact O-CD1 3.37Å; A246-F249 PolarHBondContact O-N 2.78Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 3.05Å; F249-M252 VanDerWaalsContact O-CB 3.26Å; F249-M252 WeakPolarHBondContact O-CB 3.31Å; F249-M252 WeakPolarHBondContact O-CG 3.28Å; F249-M252 PolarHBondContact O-N 3.25Å; F249-I271 HydrophobicContact CE2-CG1 4.35Å; F249-I271 HydrophobicContact CE2-CG2 4.12Å; F249-I271 HydrophobicContact CZ-CG2 4.17Å; F249-L275 HydrophobicContact CE1-CD2 4.16Å; F249-L275 HydrophobicContact CZ-CD2 4.07Å; F249-L275 HydrophobicContact CZ-CG 4.16Å
250L93.3Very high80.4Confident7 Ų751.9 Ų51.94%0.03729%0.289CS..G310 helixtrans-62.1-38.9178.5-71.2179000112.5F213 T248 M252 I253 P254 L265 I271 L275 F289 F292 W312F213-L250 HydrophobicContact CE1-CD2 4.38Å; F213-L250 HydrophobicContact CZ-CD2 4.3Å; T248-L250 VanDerWaalsContact C-N 3.27Å; T248-L250 PolarHBondContact O-N 2.85Å; L250-M252 PolarHBondContact O-N 2.85Å; L250-I253 PolarHBondContact O-N 2.93Å; L250-P254 WeakPolarHBondContact O-CD 3.41Å; L250-L265 HydrophobicContact CD2-CD1 4.04Å; L250-I271 HydrophobicContact CD2-CG2 4.08Å; L250-L275 HydrophobicContact CD1-CD1 4.1Å; L250-L275 HydrophobicContact CD1-CD2 4.17Å; L250-F289 HydrophobicContact CD1-CD1 4.2Å; L250-F289 HydrophobicContact CD1-CE1 3.86Å; L250-F292 HydrophobicContact CB-CB 4.15Å; L250-F292 HydrophobicContact CB-CD2 3.66Å; L250-F292 HydrophobicContact CB-CE2 4.14Å; L250-F292 HydrophobicContact CB-CG 3.88Å; L250-F292 HydrophobicContact CD1-CD1 4.42Å; L250-F292 HydrophobicContact CD1-CG 4.46Å; L250-F292 WeakPolarHBondContact O-CD2 3.42Å; L250-W312 HydrophobicContact CD1-CH2 4.41Å
251S94.2Very high82.2Confident3 Ų348.8 Ų48.82%0.02127%0.271CS..G310 helixtrans-62.3-25.9179.8-51.20000112.3T248 F249 I253 P254 D255 S291 F292T248-S251 WeakPolarHBondContact O-CB 3.39Å; T248-S251 PolarHBondContact O-N 2.97Å; T248-S251 VanDerWaalsContact O-N 3.15Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-S251 PolarHBondContact O-N 3.05Å; S251-I253 PolarHBondContact O-N 2.92Å; S251-P254 VanDerWaalsContact O-CD 3.28Å; S251-P254 WeakPolarHBondContact O-CD 3.49Å; S251-P254 WeakPolarHBondContact O-CG 3.44Å; S251-D255 WeakPolarHBondContact O-CB 3.12Å; S251-D255 PolarHBondContact O-N 3.15Å; S251-S291 PolarHBondContact OG-OG 2.83Å; S251-F292 WeakPolarHBondContact OG-CA 3.47Å; S251-F292 PolarHBondContact OG-N 3.14Å
252M94.6Very high84.3Confident46 Ų4644.2 Ų44.223%0.22725%0.248CC..Hα-helixtrans-57.4-26.5178.9-60.3-176.317800113.3F213 E214 S217 F249 L250 T256F213-M252 HydrophobicContact CB-SD 4.06Å; E214-M252 HydrophobicContact CG-CE 4.2Å; E214-M252 HydrophobicContact CG-SD 4.26Å; S217-M252 WeakPolarHBondContact OG-CB 3.2Å; S217-M252 PolarHBondContact OG-O 3.4Å; F249-M252 VanDerWaalsContact O-CB 3.26Å; F249-M252 WeakPolarHBondContact O-CB 3.31Å; F249-M252 WeakPolarHBondContact O-CG 3.28Å; F249-M252 PolarHBondContact O-N 3.25Å; L250-M252 PolarHBondContact O-N 2.85Å; M252-T256 WeakPolarHBondContact O-CB 3.22Å; M252-T256 PolarHBondContact O-N 2.76Å; M252-T256 VanDerWaalsContact O-N 3.14Å; M252-T256 PolarHBondContact O-OG1 3.01Å
253I95.5Very high86.3Confident0 Ų035.2 Ų35.20%021%0.206CC..Hα-helixtrans-71.3-66178.7-58.3173.6000111.1F213 M216 L230 L232 L250 S251 D255 T256 L257 L260 L263 L265F213-I253 HydrophobicContact CD1-CD1 4.42Å; F213-I253 HydrophobicContact CD1-CG1 4.22Å; F213-I253 HydrophobicContact CE1-CD1 3.61Å; F213-I253 HydrophobicContact CE1-CG1 3.87Å; F213-I253 HydrophobicContact CZ-CD1 4.29Å; M216-I253 HydrophobicContact CE-CD1 3.84Å; M216-I253 HydrophobicContact CE-CG1 3.55Å; L230-I253 HydrophobicContact CD2-CG2 4.1Å; L232-I253 HydrophobicContact CD1-CD1 3.99Å; L250-I253 PolarHBondContact O-N 2.93Å; S251-I253 PolarHBondContact O-N 2.92Å; I253-D255 VanDerWaalsContact C-N 3.25Å; I253-D255 PolarHBondContact O-N 3.5Å; I253-T256 WeakPolarHBondContact O-CB 3.47Å; I253-T256 PolarHBondContact O-N 2.86Å; I253-L257 PolarHBondContact O-N 3.42Å; I253-L260 HydrophobicContact CG2-CD2 3.63Å; I253-L263 HydrophobicContact CD1-CD1 4.41Å; I253-L263 HydrophobicContact CD1-CD2 4.21Å; I253-L263 HydrophobicContact CG2-CD1 4.1Å; I253-L263 HydrophobicContact CG2-CD2 4.12Å; I253-L265 HydrophobicContact CD1-CD2 4.01Å
254P96Very high88.3Confident3 Ų332 Ų322%0.01919%0.185CC..Hα-helixtrans-63.3-30.1178.524.6-34.8000112.9L250 S251 T256 L257 F292 F296L250-P254 WeakPolarHBondContact O-CD 3.41Å; S251-P254 VanDerWaalsContact O-CD 3.28Å; S251-P254 WeakPolarHBondContact O-CD 3.49Å; S251-P254 WeakPolarHBondContact O-CG 3.44Å; P254-T256 PolarHBondContact O-N 3.18Å; P254-L257 CarbonylContact O-C 3.56Å; P254-L257 PolarHBondContact O-N 3.37Å; P254-F292 HydrophobicContact CG-CD2 4.12Å; P254-F292 HydrophobicContact CG-CE2 4.2Å; P254-F296 HydrophobicContact CB-CD1 4.01Å; P254-F296 HydrophobicContact CB-CD2 3.94Å; P254-F296 HydrophobicContact CB-CE1 4.18Å; P254-F296 HydrophobicContact CB-CE2 4.12Å; P254-F296 HydrophobicContact CB-CG 3.89Å; P254-F296 HydrophobicContact CB-CZ 4.24Å; P254-F296 HydrophobicContact CG-CD2 3.99Å; P254-F296 HydrophobicContact CG-CE2 3.97Å; P254-F296 HydrophobicContact CG-CG 4.45Å; P254-F296 HydrophobicContact CG-CZ 4.4Å
255D95.3Very high90.2Very high61 Ų6126.3 Ų26.333%0.32615%0.149SC..Hα-helixtrans-65.4-30.1172.5-71.4-24.8000111.9S251 I253 S295 K299S251-D255 WeakPolarHBondContact O-CB 3.12Å; S251-D255 PolarHBondContact O-N 3.15Å; I253-D255 VanDerWaalsContact C-N 3.25Å; I253-D255 PolarHBondContact O-N 3.5Å; D255-S295 VanDerWaalsContact CG-OG 3.28Å; D255-S295 WeakPolarHBondContact OD1-CB 3.47Å; D255-S295 PolarHBondContact OD1-OG 2.89Å; D255-S295 PolarHBondContact OD2-OG 3.1Å; D255-K299 WeakPolarHBondContact O-CE 3.36Å; D255-K299 PolarHBondContact O-NZ 2.86Å
256T95.7Very high91.9Very high26 Ų2625.3 Ų25.316%0.1614%0.143CC..Hα-helixtrans-78.6-40.7175.5-65.40000111.8S217 L220 K221 M252 I253 P254S217-T256 VanDerWaalsContact CB-OG1 3.31Å; S217-T256 WeakPolarHBondContact CB-OG1 3.5Å; S217-T256 WeakPolarHBondContact O-CG2 3.36Å; S217-T256 PolarHBondContact OG-OG1 2.72Å; L220-T256 HydrophobicContact CB-CG2 4.2Å; K221-T256 HydrophobicContact CB-CG2 3.81Å; M252-T256 WeakPolarHBondContact O-CB 3.22Å; M252-T256 PolarHBondContact O-N 2.76Å; M252-T256 VanDerWaalsContact O-N 3.14Å; M252-T256 PolarHBondContact O-OG1 3.01Å; I253-T256 WeakPolarHBondContact O-CB 3.47Å; I253-T256 PolarHBondContact O-N 2.86Å; P254-T256 PolarHBondContact O-N 3.18Å
257L96.7Very high93.3Very high1 Ų126.2 Ų26.21%0.00514%0.137CC..  trans-111.986.2-170.3-63.7177.4000111.6L220 C224 L227 L230 I253 P254 Y259 L260L220-L257 HydrophobicContact CB-CD2 4.22Å; L220-L257 HydrophobicContact CD1-CD1 4.1Å; C224-L257 WeakPolarHBondContact O-CD2 3.29Å; L227-L257 HydrophobicContact CB-CD1 4.15Å; L227-L257 HydrophobicContact CB-CD2 4.09Å; L227-L257 HydrophobicContact CD2-CD1 3.93Å; L230-L257 HydrophobicContact CD2-CD1 3.93Å; I253-L257 PolarHBondContact O-N 3.42Å; P254-L257 CarbonylContact O-C 3.56Å; P254-L257 PolarHBondContact O-N 3.37Å; L257-Y259 PolarHBondContact O-N 3.07Å; L257-L260 HydrophobicContact CB-CB 3.75Å; L257-L260 HydrophobicContact CB-CD2 4.41Å; L257-L260 HydrophobicContact CD1-CD1 4.21Å; L257-L260 HydrophobicContact CD1-CD2 4.29Å; L257-L260 VanDerWaalsContact O-CB 3.24Å; L257-L260 WeakPolarHBondContact O-CB 3.29Å; L257-L260 PolarHBondContact O-N 3.34Å
258S95.4Very high94.7Very high30 Ų3023 Ų2321%0.2112%0.118CC..THydrogen-bonded Turntrans-57.3-27.8-174.7-51.10000114.7K299 K302S258-K299 WeakPolarHBondContact OG-CD 3.25Å; S258-K302 WeakPolarHBondContact O-CE 3.17Å; S258-K302 PolarHBondContact O-NZ 2.87Å
259Y96.6Very high95.4Very high98 Ų9822.1 Ų22.138%0.38411%0.113SC..THydrogen-bonded Turntrans-91.3-9.2-177.7-64.1-88000113.6H226 L227 L257 H261 I300H226-Y259 HydrophobicContact CB-CD2 4.48Å; H226-Y259 AromaticContact CE1-CE2 3.67Å; H226-Y259 AromaticContact ND1-CD2 3.63Å; H226-Y259 AromaticContact ND1-CE2 3.1Å; H226-Y259 WeakPolarHBondContact ND1-CE2 3.38Å; H226-Y259 AromaticContact ND1-CZ 3.66Å; L227-Y259 CarbonylContact O-C 3.56Å; L257-Y259 PolarHBondContact O-N 3.07Å; Y259-H261 PolarHBondContact O-N 3.21Å; Y259-I300 HydrophobicContact CD1-CD1 3.67Å; Y259-I300 HydrophobicContact CD2-CD1 4.21Å; Y259-I300 HydrophobicContact CE1-CD1 3.54Å; Y259-I300 HydrophobicContact CE2-CD1 4.09Å; Y259-I300 HydrophobicContact CG-CD1 4.01Å
260L97.7Very high95.5Very high0 Ų022.8 Ų22.80%012%0.117CC..  trans-62.7118-173.8-173.274.1000111.1L227 L230 I253 L257 T262 L263 F296 K302L227-L260 PolarHBondContact O-N 2.76Å; L230-L260 HydrophobicContact CB-CD1 3.64Å; I253-L260 HydrophobicContact CG2-CD2 3.63Å; L257-L260 HydrophobicContact CB-CB 3.75Å; L257-L260 HydrophobicContact CB-CD2 4.41Å; L257-L260 HydrophobicContact CD1-CD1 4.21Å; L257-L260 HydrophobicContact CD1-CD2 4.29Å; L257-L260 VanDerWaalsContact O-CB 3.24Å; L257-L260 WeakPolarHBondContact O-CB 3.29Å; L257-L260 PolarHBondContact O-N 3.34Å; L260-T262 VanDerWaalsContact CD1-O 3.27Å; L260-T262 WeakPolarHBondContact CD1-O 3.38Å; L260-L263 HydrophobicContact CD2-CB 4.28Å; L260-L263 HydrophobicContact CD2-CD1 4.4Å; L260-F296 HydrophobicContact CD2-CE1 3.99Å; L260-F296 HydrophobicContact CD2-CZ 4.42Å; L260-F296 HydrophobicContact CG-CE1 4.18Å; L260-F296 WeakPolarHBondContact O-CD1 3.44Å; L260-K302 WeakPolarHBondContact O-CE 3.34Å
261H96.7Very high95.4Very high48 Ų4822.5 Ų22.522%0.22212%0.115CC..  trans-118.3-14.4173.263.369000112.6E228 E229 Y259 K302 V305 Y306E228-H261 PolarHBondContact O-N 3.03Å; E229-H261 IonicContact OE1-CE1 3.29Å; Y259-H261 PolarHBondContact O-N 3.21Å; H261-K302 HydrophobicContact CB-CD 4.14Å; H261-V305 CarbonylContact O-C 3.6Å; H261-V305 VanDerWaalsContact O-CA 3.32Å; H261-V305 WeakPolarHBondContact O-CA 3.46Å; H261-Y306 PolarHBondContact O-N 3.48Å
262T98.1Very high95.3Very high4 Ų423.1 Ų23.13%0.02512%0.118CC..EExtended strand (participates in β ladder)trans-123.6122.7177.1-58.40000110.2E228 E229 L230 L260 Y306 Y308 F363E228-T262 PolarHBondContact O-N 2.71Å; E228-T262 VanDerWaalsContact O-N 3.09Å; E229-T262 WeakPolarHBondContact CA-O 3.45Å; E229-T262 HydrophobicContact CB-CG2 4.36Å; E229-T262 HydrophobicContact CG-CG2 4.43Å; L230-T262 PolarHBondContact N-O 3.11Å; L260-T262 VanDerWaalsContact CD1-O 3.27Å; L260-T262 WeakPolarHBondContact CD1-O 3.38Å; T262-Y306 CarbonylContact C-O 3.56Å; T262-Y306 WeakPolarHBondContact CA-O 3.29Å; T262-Y308 HydrophobicContact CG2-CD2 4.48Å; T262-Y308 HydrophobicContact CG2-CE2 3.87Å; T262-F363 HydrophobicContact CG2-CE2 3.98Å; T262-F363 HydrophobicContact CG2-CZ 3.67Å
263L98.4Very high95.1Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-134.3123.6179.4179.160.8000111.1L230 L232 I253 L260 L265 F292 F296 Y306 I307 Y308L230-L263 HydrophobicContact CB-CD1 4.17Å; L230-L263 HydrophobicContact CD2-CD1 4.18Å; L230-L263 HydrophobicContact CG-CD1 4.19Å; L230-L263 CarbonylContact O-C 3.58Å; L230-L263 WeakPolarHBondContact O-CA 3.45Å; L232-L263 HydrophobicContact CD1-CD1 4.25Å; I253-L263 HydrophobicContact CD1-CD1 4.41Å; I253-L263 HydrophobicContact CD1-CD2 4.21Å; I253-L263 HydrophobicContact CG2-CD1 4.1Å; I253-L263 HydrophobicContact CG2-CD2 4.12Å; L260-L263 HydrophobicContact CD2-CB 4.28Å; L260-L263 HydrophobicContact CD2-CD1 4.4Å; L263-L265 HydrophobicContact CD1-CD2 4.11Å; L263-L265 HydrophobicContact CD1-CG 4.33Å; L263-L265 HydrophobicContact CD2-CD1 3.92Å; L263-L265 HydrophobicContact CD2-CD2 4.32Å; L263-L265 HydrophobicContact CD2-CG 4Å; L263-L265 HydrophobicContact CG-CD1 4.38Å; L263-L265 HydrophobicContact CG-CD2 4.24Å; L263-L265 HydrophobicContact CG-CG 3.92Å; L263-F292 HydrophobicContact CD2-CE2 4.15Å; L263-F292 HydrophobicContact CD2-CZ 4.03Å; L263-F296 HydrophobicContact CB-CE1 4.46Å; L263-F296 HydrophobicContact CB-CZ 4.06Å; L263-F296 HydrophobicContact CD2-CZ 3.81Å; L263-Y306 PolarHBondContact N-O 3.27Å; L263-I307 CarbonylContact O-C 3.21Å; L263-I307 VanDerWaalsContact O-CA 3.3Å; L263-I307 WeakPolarHBondContact O-CA 3.41Å; L263-Y308 PolarHBondContact O-N 3.02Å
264N98.2Very high94.7Very high9 Ų923.4 Ų23.45%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-107115.7172.6-174.6-0.2000111L230 D231 L232 S266 Y308L230-N264 PolarHBondContact O-N 2.79Å; D231-N264 HydrophobicContact CB-CB 4.1Å; D231-N264 WeakPolarHBondContact OD1-CB 3.37Å; D231-N264 PolarHBondContact OD1-ND2 3.05Å; D231-N264 PolarHBondContact OD2-ND2 3.36Å; L232-N264 CarbonylContact C-O 3.45Å; L232-N264 WeakPolarHBondContact CA-O 3.43Å; L232-N264 PolarHBondContact N-O 2.77Å; N264-S266 WeakPolarHBondContact OD1-CB 3.41Å; N264-S266 PolarHBondContact OD1-N 2.88Å; N264-S266 PolarHBondContact OD1-OG 3.45Å; N264-Y308 HydrophobicContact CB-CD2 4.29Å; N264-Y308 HydrophobicContact CB-CG 4.34Å; N264-Y308 WeakPolarHBondContact OD1-CB 3.36Å
265L97.2Very high94.4Very high0 Ų023.3 Ų23.30%012%0.124CC..  trans-115.916.4177.5-64.5178000112.3L232 L250 I253 L263 N268 I271 F292 Y308 W312L232-L265 HydrophobicContact CB-CD2 4.36Å; L232-L265 HydrophobicContact CD1-CD2 4.14Å; L250-L265 HydrophobicContact CD2-CD1 4.04Å; I253-L265 HydrophobicContact CD1-CD2 4.01Å; L263-L265 HydrophobicContact CD1-CD2 4.11Å; L263-L265 HydrophobicContact CD1-CG 4.33Å; L263-L265 HydrophobicContact CD2-CD1 3.92Å; L263-L265 HydrophobicContact CD2-CD2 4.32Å; L263-L265 HydrophobicContact CD2-CG 4Å; L263-L265 HydrophobicContact CG-CD1 4.38Å; L263-L265 HydrophobicContact CG-CD2 4.24Å; L263-L265 HydrophobicContact CG-CG 3.92Å; L265-N268 VanDerWaalsContact C-ND2 3.28Å; L265-N268 PolarHBondContact O-ND2 2.88Å; L265-I271 HydrophobicContact CD2-CD1 4.27Å; L265-F292 HydrophobicContact CD1-CZ 4.26Å; L265-Y308 PolarHBondContact N-O 3.28Å; L265-W312 HydrophobicContact CB-CZ2 4.06Å; L265-W312 HydrophobicContact CD1-CZ2 4.19Å; L265-W312 PolarHBondContact O-NE1 3.25Å
266S96.4Very high94.1Very high1 Ų122 Ų221%0.00712%0.117CC..THydrogen-bonded Turntrans-59.4153.7-179-54.60000112.4S233 S234 N264 N268 Y308 Y310S233-S266 CarbonylContact C-O 3.52Å; S233-S266 WeakPolarHBondContact CA-O 3.41Å; S233-S266 WeakPolarHBondContact CB-O 3.42Å; S234-S266 PolarHBondContact N-O 3.18Å; S234-S266 VanDerWaalsContact N-O 3.08Å; N264-S266 WeakPolarHBondContact OD1-CB 3.41Å; N264-S266 PolarHBondContact OD1-N 2.88Å; N264-S266 PolarHBondContact OD1-OG 3.45Å; S266-N268 PolarHBondContact O-N 3.09Å; S266-N268 VanDerWaalsContact O-N 3.12Å; S266-N268 PolarHBondContact O-ND2 3.01Å; S266-Y308 PolarHBondContact N-O 3.23Å; S266-Y308 PolarHBondContact OG-O 3.48Å; S266-Y310 VanDerWaalsContact CA-O 3.31Å; S266-Y310 WeakPolarHBondContact CA-O 3.35Å; S266-Y310 VanDerWaalsContact OG-CD2 3.23Å; S266-Y310 WeakPolarHBondContact OG-CD2 3.44Å; S266-Y310 PolarHBondContact OG-N 3.31Å
267E94.1Very high93.7Very high75 Ų7524 Ų2435%0.3513%0.127SC..THydrogen-bonded Turntrans56.432.8171.3-59.2168.8-105.900114.7S234 P269 Y310 D311S234-E267 WeakPolarHBondContact CA-O 3.28Å; S234-E267 WeakPolarHBondContact OG-CB 3.25Å; S234-E267 PolarHBondContact OG-O 3.01Å; S234-E267 PolarHBondContact OG-OE2 3.25Å; S234-E267 VanDerWaalsContact OG-OE2 3.11Å; E267-P269 WeakPolarHBondContact O-CD 3.36Å; E267-Y310 PolarHBondContact N-O 3.26Å; E267-D311 WeakPolarHBondContact CG-OD2 3.43Å
268N93.9Very high93.1Very high2 Ų225.1 Ų25.11%0.01113%0.132CC..  trans-107.981.7178.5-77.3-67.5000111.5L232 V235 F236 L265 S266 M270 I271 T272L232-N268 PolarHBondContact O-ND2 2.71Å; L232-N268 PolarHBondContact O-OD1 3.32Å; V235-N268 PolarHBondContact N-OD1 3.05Å; V235-N268 VanDerWaalsContact N-OD1 3.08Å; F236-N268 WeakPolarHBondContact CA-OD1 3.32Å; F236-N268 HydrophobicContact CB-CB 4.28Å; F236-N268 WeakPolarHBondContact CB-OD1 3.43Å; F236-N268 WeakPolarHBondContact CD2-OD1 3.21Å; F236-N268 PolarHBondContact N-OD1 3.26Å; L265-N268 VanDerWaalsContact C-ND2 3.28Å; L265-N268 PolarHBondContact O-ND2 2.88Å; S266-N268 PolarHBondContact O-N 3.09Å; S266-N268 VanDerWaalsContact O-N 3.12Å; S266-N268 PolarHBondContact O-ND2 3.01Å; N268-M270 VanDerWaalsContact C-N 3.25Å; N268-M270 PolarHBondContact O-N 3Å; N268-I271 HydrophobicContact CB-CB 4.09Å; N268-I271 HydrophobicContact CB-CD1 3.69Å; N268-I271 HydrophobicContact CB-CG1 3.95Å; N268-I271 WeakPolarHBondContact O-CB 3.34Å; N268-I271 PolarHBondContact O-N 3.25Å; N268-T272 PolarHBondContact O-N 2.9Å; N268-T272 VanDerWaalsContact O-N 3.14Å
269P91.2Very high92.7Very high48 Ų4825.4 Ų25.431%0.31213%0.13SC..Hα-helixtrans-63.8-25.3-173.625.8-35.3000113.7I237 E267 I271 T272 S273I237-P269 HydrophobicContact CB-CG 4.33Å; I237-P269 HydrophobicContact CG2-CG 4.47Å; E267-P269 WeakPolarHBondContact O-CD 3.36Å; P269-I271 VanDerWaalsContact C-N 3.35Å; P269-T272 WeakPolarHBondContact CA-OG1 3.14Å; P269-T272 PolarHBondContact O-OG1 3.47Å; P269-S273 WeakPolarHBondContact O-CB 3.23Å; P269-S273 PolarHBondContact O-N 2.98Å; P269-S273 PolarHBondContact O-OG 3.27Å
270M90.2Very high92.2Very high17 Ų1726.7 Ų26.78%0.08414%0.135CC..Hα-helixtrans-63.9-41.7172-69.5-178.779.900111.7L209 F236 S238 N268 S274L209-M270 HydrophobicContact CB-CE 4.24Å; L209-M270 HydrophobicContact CD1-CB 3.95Å; L209-M270 HydrophobicContact CD1-CE 4.3Å; L209-M270 HydrophobicContact CD2-CB 4.46Å; F236-M270 HydrophobicContact CB-CB 4.1Å; F236-M270 HydrophobicContact CB-SD 4.25Å; F236-M270 VanDerWaalsContact O-CB 3.26Å; F236-M270 WeakPolarHBondContact O-CB 3.5Å; F236-M270 VanDerWaalsContact O-CG 3.26Å; F236-M270 WeakPolarHBondContact O-CG 3.24Å; F236-M270 PolarHBondContact O-N 2.94Å; S238-M270 PolarHBondContact N-SD 3.43Å; S238-M270 VanDerWaalsContact N-SD 3.41Å; S238-M270 WeakPolarHBondContact O-CG 3.35Å; N268-M270 VanDerWaalsContact C-N 3.25Å; N268-M270 PolarHBondContact O-N 3Å; M270-S274 VanDerWaalsContact O-CB 3.26Å; M270-S274 WeakPolarHBondContact O-CB 3.49Å; M270-S274 PolarHBondContact O-N 2.99Å
271I92.2Very high91.5Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-66.7-52.2179.7-63.6178.5000109.1L209 F213 F236 F249 L250 L265 N268 P269 S273 S274 L275 W312L209-I271 HydrophobicContact CD1-CG1 4.31Å; L209-I271 HydrophobicContact CD2-CG1 4.3Å; F213-I271 HydrophobicContact CE2-CD1 4.07Å; F213-I271 HydrophobicContact CE2-CG1 4.15Å; F213-I271 HydrophobicContact CZ-CD1 3.77Å; F213-I271 HydrophobicContact CZ-CG1 4.23Å; F236-I271 HydrophobicContact CB-CG1 4.34Å; F236-I271 HydrophobicContact CD2-CD1 3.81Å; F236-I271 HydrophobicContact CD2-CG1 4.39Å; F236-I271 HydrophobicContact CE2-CD1 4.39Å; F236-I271 HydrophobicContact CG-CD1 4.43Å; F249-I271 HydrophobicContact CE2-CG1 4.35Å; F249-I271 HydrophobicContact CE2-CG2 4.12Å; F249-I271 HydrophobicContact CZ-CG2 4.17Å; L250-I271 HydrophobicContact CD2-CG2 4.08Å; L265-I271 HydrophobicContact CD2-CD1 4.27Å; N268-I271 HydrophobicContact CB-CB 4.09Å; N268-I271 HydrophobicContact CB-CD1 3.69Å; N268-I271 HydrophobicContact CB-CG1 3.95Å; N268-I271 WeakPolarHBondContact O-CB 3.34Å; N268-I271 PolarHBondContact O-N 3.25Å; P269-I271 VanDerWaalsContact C-N 3.35Å; I271-S273 PolarHBondContact O-N 3Å; I271-S274 PolarHBondContact O-N 3.21Å; I271-L275 HydrophobicContact CG2-CD1 3.71Å; I271-L275 HydrophobicContact CG2-CG 4.4Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.43Å; I271-L275 PolarHBondContact O-N 3.16Å; I271-W312 HydrophobicContact CG2-CH2 4.4Å; I271-W312 HydrophobicContact CG2-CZ2 3.97Å
272T91.5Very high90.8Very high16 Ų1635 Ų3510%0.09818%0.18CC..Hα-helixtrans-65.4-39.3-177.458.10000111.9N268 P269 L275 L276 W312 L316N268-T272 PolarHBondContact O-N 2.9Å; N268-T272 VanDerWaalsContact O-N 3.14Å; P269-T272 WeakPolarHBondContact CA-OG1 3.14Å; P269-T272 PolarHBondContact O-OG1 3.47Å; T272-L275 PolarHBondContact O-N 3.08Å; T272-L276 VanDerWaalsContact O-CB 3.3Å; T272-L276 WeakPolarHBondContact O-CB 3.49Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 2.83Å; T272-W312 HydrophobicContact CG2-CB 4.49Å; T272-W312 HydrophobicContact CG2-CD2 4.15Å; T272-W312 HydrophobicContact CG2-CG 3.85Å; T272-L316 HydrophobicContact CG2-CD1 4.46Å
273S89.3Confident89.9Confident36 Ų3641.1 Ų41.125%0.25221%0.208SC..Hα-helixtrans-64.1-43.5175.3-57.50000111.9P269 I271 L276 N277P269-S273 WeakPolarHBondContact O-CB 3.23Å; P269-S273 PolarHBondContact O-N 2.98Å; P269-S273 PolarHBondContact O-OG 3.27Å; I271-S273 PolarHBondContact O-N 3Å; S273-L276 PolarHBondContact O-N 2.88Å; S273-N277 WeakPolarHBondContact O-CB 3.32Å; S273-N277 VanDerWaalsContact O-CG 3.23Å; S273-N277 PolarHBondContact O-N 2.85Å
274S88.3Confident89Confident16 Ų1645.2 Ų45.211%0.11223%0.231CC..Hα-helixtrans-61.7-45.5176.8-176.80000112.1V245 M270 I271 N277 Q278V245-S274 WeakPolarHBondContact CB-OG 3.46Å; V245-S274 VanDerWaalsContact CG2-OG 3.23Å; V245-S274 WeakPolarHBondContact CG2-OG 3.34Å; M270-S274 VanDerWaalsContact O-CB 3.26Å; M270-S274 WeakPolarHBondContact O-CB 3.49Å; M270-S274 PolarHBondContact O-N 2.99Å; I271-S274 PolarHBondContact O-N 3.21Å; S274-N277 PolarHBondContact O-N 3.4Å; S274-Q278 PolarHBondContact O-N 3.34Å; S274-Q278 VanDerWaalsContact O-N 3.09Å
275L90.3Very high88.4Confident1 Ų144.9 Ų44.91%0.00523%0.229CC..Hα-helixtrans-68.2-40.1179.5-67.8169.3000111.5F249 L250 I271 T272 Q278 F279 L285 F289 W312 L316F249-L275 HydrophobicContact CE1-CD2 4.16Å; F249-L275 HydrophobicContact CZ-CD2 4.07Å; F249-L275 HydrophobicContact CZ-CG 4.16Å; L250-L275 HydrophobicContact CD1-CD1 4.1Å; L250-L275 HydrophobicContact CD1-CD2 4.17Å; I271-L275 HydrophobicContact CG2-CD1 3.71Å; I271-L275 HydrophobicContact CG2-CG 4.4Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.43Å; I271-L275 PolarHBondContact O-N 3.16Å; T272-L275 PolarHBondContact O-N 3.08Å; L275-Q278 PolarHBondContact O-N 3.47Å; L275-F279 WeakPolarHBondContact O-CB 3.45Å; L275-F279 PolarHBondContact O-N 3.27Å; L275-L285 HydrophobicContact CB-CD1 4.26Å; L275-F289 HydrophobicContact CD1-CE1 4.09Å; L275-F289 HydrophobicContact CD1-CZ 4.1Å; L275-F289 HydrophobicContact CD2-CE1 4.29Å; L275-F289 HydrophobicContact CD2-CZ 4.38Å; L275-W312 HydrophobicContact CD1-CH2 3.89Å; L275-W312 HydrophobicContact CD1-CZ3 4.02Å; L275-L316 HydrophobicContact CB-CD1 3.69Å; L275-L316 HydrophobicContact CB-CD2 3.92Å; L275-L316 HydrophobicContact CB-CG 4.48Å; L275-L316 HydrophobicContact CD1-CD1 4.19Å
276L89Confident87.8Confident34 Ų3446.6 Ų46.618%0.17824%0.241CC..Hα-helixtrans-62.5-45.7175.1-80.6178.7000111.7T272 S273 Q278 F279 Y280 P313 L316T272-L276 VanDerWaalsContact O-CB 3.3Å; T272-L276 WeakPolarHBondContact O-CB 3.49Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 2.83Å; S273-L276 PolarHBondContact O-N 2.88Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 2.79Å; L276-F279 WeakPolarHBondContact O-CB 3.12Å; L276-F279 PolarHBondContact O-N 3.02Å; L276-F279 VanDerWaalsContact O-N 3.16Å; L276-Y280 HydrophobicContact CB-CD2 4.43Å; L276-Y280 HydrophobicContact CB-CE2 4.12Å; L276-Y280 HydrophobicContact CD2-CE2 4.38Å; L276-Y280 WeakPolarHBondContact O-CD2 3.47Å; L276-Y280 PolarHBondContact O-N 2.86Å; L276-P313 HydrophobicContact CD1-CB 4.38Å; L276-P313 HydrophobicContact CD1-CG 3.74Å; L276-P313 HydrophobicContact CD2-CB 4.25Å; L276-P313 HydrophobicContact CD2-CG 4.34Å; L276-P313 HydrophobicContact CG-CG 4.18Å; L276-L316 HydrophobicContact CD2-CD1 4.3Å; L276-L316 HydrophobicContact CD2-CD2 4.06Å; L276-L316 HydrophobicContact CD2-CG 3.94Å; L276-L316 HydrophobicContact CG-CD1 4.04Å; L276-L316 HydrophobicContact CG-CD2 4.46Å; L276-L316 HydrophobicContact CG-CG 4.24Å
277N87.1Confident87.4Confident68 Ų6850.4 Ų50.436%0.36427%0.267SS..Hα-helixtrans-57.7-47.6176.8-73.3-8.7000110.8S273 S274 F279 Y280 E281S273-N277 WeakPolarHBondContact O-CB 3.32Å; S273-N277 VanDerWaalsContact O-CG 3.23Å; S273-N277 PolarHBondContact O-N 2.85Å; S274-N277 PolarHBondContact O-N 3.4Å; N277-F279 VanDerWaalsContact C-N 3.34Å; N277-F279 PolarHBondContact O-N 3.49Å; N277-Y280 PolarHBondContact O-N 3.05Å; N277-Y280 VanDerWaalsContact O-N 3.13Å; N277-E281 WeakPolarHBondContact O-CG 3.47Å; N277-E281 PolarHBondContact O-N 3.05Å
278Q84.4Confident87.3Confident24 Ų2447.1 Ų47.111%0.11225%0.252CS..Hα-helixtrans-60.5-43.7175.7-176.3-171.4-1900111.5T247 S274 L275 L276 Y280 E281 S282 L285 S288T247-Q278 HydrophobicContact CG2-CG 4.43Å; S274-Q278 PolarHBondContact O-N 3.34Å; S274-Q278 VanDerWaalsContact O-N 3.09Å; L275-Q278 PolarHBondContact O-N 3.47Å; L276-Q278 VanDerWaalsContact C-N 3.32Å; L276-Q278 PolarHBondContact O-N 2.79Å; Q278-Y280 VanDerWaalsContact C-N 3.27Å; Q278-Y280 PolarHBondContact O-N 3.41Å; Q278-E281 PolarHBondContact O-N 2.98Å; Q278-S282 PolarHBondContact O-N 3.21Å; Q278-S282 PolarHBondContact O-OG 2.96Å; Q278-L285 HydrophobicContact CB-CD2 3.87Å; Q278-L285 HydrophobicContact CG-CD2 3.6Å; Q278-S288 PolarHBondContact NE2-OG 3.02Å
279F86.4Confident87.3Confident36 Ų3647 Ų4716%0.15825%0.252CS..Hα-helixtrans-58.4-40.4175.7-174.7-89.1000111.8L275 L276 N277 Q283 L285 K315L275-F279 WeakPolarHBondContact O-CB 3.45Å; L275-F279 PolarHBondContact O-N 3.27Å; L276-F279 WeakPolarHBondContact O-CB 3.12Å; L276-F279 PolarHBondContact O-N 3.02Å; L276-F279 VanDerWaalsContact O-N 3.16Å; N277-F279 VanDerWaalsContact C-N 3.34Å; N277-F279 PolarHBondContact O-N 3.49Å; F279-Q283 WeakPolarHBondContact O-CA 3.44Å; F279-Q283 PolarHBondContact O-N 3.5Å; F279-L285 HydrophobicContact CB-CD1 3.84Å; F279-L285 HydrophobicContact CB-CG 3.96Å; F279-L285 HydrophobicContact CD2-CD1 4Å; F279-L285 HydrophobicContact CD2-CG 3.95Å; F279-L285 HydrophobicContact CG-CD1 4.39Å; F279-L285 HydrophobicContact CG-CG 4.47Å; F279-K315 HydrophobicContact CE1-CD 4.2Å
280Y85.7Confident87.5Confident126 Ų12647.8 Ų47.849%0.49425%0.251SS..Hα-helixtrans-70.1-36.5177.9-70-56.8000112.9L276 N277 Q278 Q283L276-Y280 HydrophobicContact CB-CD2 4.43Å; L276-Y280 HydrophobicContact CB-CE2 4.12Å; L276-Y280 HydrophobicContact CD2-CE2 4.38Å; L276-Y280 WeakPolarHBondContact O-CD2 3.47Å; L276-Y280 PolarHBondContact O-N 2.86Å; N277-Y280 PolarHBondContact O-N 3.05Å; N277-Y280 VanDerWaalsContact O-N 3.13Å; Q278-Y280 VanDerWaalsContact C-N 3.27Å; Q278-Y280 PolarHBondContact O-N 3.41Å; Y280-Q283 PolarHBondContact O-NE2 3.47Å
281E83.8Confident87.7Confident163 Ų16349 Ų4976%0.76226%0.262SS*.Hα-helixtrans-73.1-46178.8-72.4175.7-175.700113.1N277 Q278N277-E281 WeakPolarHBondContact O-CG 3.47Å; N277-E281 PolarHBondContact O-N 3.05Å; Q278-E281 PolarHBondContact O-N 2.98Å
282S81.9Confident87.8Confident60 Ų6049 Ų4942%0.4226%0.262SS..Hα-helixtrans-99.2-12.7-174.169.20000114.4Q278 N284Q278-S282 PolarHBondContact O-N 3.21Å; Q278-S282 PolarHBondContact O-OG 2.96Å; S282-N284 PolarHBondContact O-N 2.88Å; S282-N284 PolarHBondContact OG-N 3.43Å; S282-N284 VanDerWaalsContact OG-N 3.12Å; S282-N284 PolarHBondContact OG-O 3.14Å
283Q79.5Confident88.1Confident131 Ų13148.2 Ų48.261%0.61226%0.257SS*.SBendtrans54.415.3-167.2-59.3-64.1-40.200113.8F279 Y280F279-Q283 WeakPolarHBondContact O-CA 3.44Å; F279-Q283 PolarHBondContact O-N 3.5Å; Y280-Q283 PolarHBondContact O-NE2 3.47Å
284N79.3Confident88.3Confident87 Ų8748.8 Ų48.847%0.46526%0.259SS..  trans-156122.1-174.7-168.4-0.1000112.7S282 S286S282-N284 PolarHBondContact O-N 2.88Å; S282-N284 PolarHBondContact OG-N 3.43Å; S282-N284 VanDerWaalsContact OG-N 3.12Å; S282-N284 PolarHBondContact OG-O 3.14Å; N284-S286 WeakPolarHBondContact OD1-CA 3.23Å; N284-S286 WeakPolarHBondContact OD1-CB 3.2Å; N284-S286 PolarHBondContact OD1-N 3.47Å
285L85.1Confident88.7Confident2 Ų248.3 Ų48.31%0.0126%0.255CS..  trans-111.14.5171-69.9178.8000113.2L275 Q278 F279 S287 S288 F289 L316L275-L285 HydrophobicContact CB-CD1 4.26Å; Q278-L285 HydrophobicContact CB-CD2 3.87Å; Q278-L285 HydrophobicContact CG-CD2 3.6Å; F279-L285 HydrophobicContact CB-CD1 3.84Å; F279-L285 HydrophobicContact CB-CG 3.96Å; F279-L285 HydrophobicContact CD2-CD1 4Å; F279-L285 HydrophobicContact CD2-CG 3.95Å; F279-L285 HydrophobicContact CG-CD1 4.39Å; F279-L285 HydrophobicContact CG-CG 4.47Å; L285-S287 PolarHBondContact O-N 2.64Å; L285-S288 WeakPolarHBondContact O-CB 3.42Å; L285-S288 PolarHBondContact O-N 2.91Å; L285-F289 HydrophobicContact CB-CD2 3.79Å; L285-F289 HydrophobicContact CB-CE2 3.72Å; L285-F289 HydrophobicContact CD1-CD2 4.49Å; L285-F289 HydrophobicContact CD1-CE2 3.61Å; L285-F289 HydrophobicContact CD1-CZ 3.94Å; L285-F289 HydrophobicContact CG-CE2 4.34Å; L285-F289 PolarHBondContact O-N 3.36Å; L285-L316 HydrophobicContact CD1-CD2 3.37Å
286S84.7Confident89Confident36 Ų3648.3 Ų48.325%0.25226%0.256SS..Hα-helixtrans-58.3-48.2-169.7-165.90000111.5N284 S288 F289 Q290N284-S286 WeakPolarHBondContact OD1-CA 3.23Å; N284-S286 WeakPolarHBondContact OD1-CB 3.2Å; N284-S286 PolarHBondContact OD1-N 3.47Å; S286-S288 PolarHBondContact O-N 3.34Å; S286-F289 PolarHBondContact O-N 3.27Å; S286-Q290 WeakPolarHBondContact O-CB 3.44Å; S286-Q290 WeakPolarHBondContact O-CG 3.48Å; S286-Q290 PolarHBondContact O-N 3.16Å; S286-Q290 PolarHBondContact OG-NE2 2.96Å
287S88.4Confident89.3Confident80 Ų8047.9 Ų47.956%0.55925%0.252SS*.Hα-helixtrans-62.1-40.5178.955.60000113.1L285 S291L285-S287 PolarHBondContact O-N 2.64Å; S287-S291 WeakPolarHBondContact O-CB 3.38Å; S287-S291 PolarHBondContact O-N 2.9Å
288S91.1Very high89.4Confident6 Ų649.4 Ų49.44%0.04226%0.26CS..Hα-helixtrans-62.1-50.5176.1-720000112.1T247 Q278 L285 S286 S291 F292T247-S288 WeakPolarHBondContact CB-OG 3.5Å; T247-S288 VanDerWaalsContact O-CB 3.26Å; T247-S288 WeakPolarHBondContact O-CB 3.25Å; T247-S288 PolarHBondContact O-OG 2.74Å; Q278-S288 PolarHBondContact NE2-OG 3.02Å; L285-S288 WeakPolarHBondContact O-CB 3.42Å; L285-S288 PolarHBondContact O-N 2.91Å; S286-S288 PolarHBondContact O-N 3.34Å; S288-S291 PolarHBondContact O-N 3.02Å; S288-F292 WeakPolarHBondContact O-CB 3.47Å; S288-F292 PolarHBondContact O-N 2.92Å
289F94.7Very high89.6Confident0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-70.6-35.3179.4-71.6-42.2000112.5L250 L275 L285 S286 S291 F292 I293 W312 L320 A323L250-F289 HydrophobicContact CD1-CD1 4.2Å; L250-F289 HydrophobicContact CD1-CE1 3.86Å; L275-F289 HydrophobicContact CD1-CE1 4.09Å; L275-F289 HydrophobicContact CD1-CZ 4.1Å; L275-F289 HydrophobicContact CD2-CE1 4.29Å; L275-F289 HydrophobicContact CD2-CZ 4.38Å; L285-F289 HydrophobicContact CB-CD2 3.79Å; L285-F289 HydrophobicContact CB-CE2 3.72Å; L285-F289 HydrophobicContact CD1-CD2 4.49Å; L285-F289 HydrophobicContact CD1-CE2 3.61Å; L285-F289 HydrophobicContact CD1-CZ 3.94Å; L285-F289 HydrophobicContact CG-CE2 4.34Å; L285-F289 PolarHBondContact O-N 3.36Å; S286-F289 PolarHBondContact O-N 3.27Å; F289-S291 VanDerWaalsContact C-N 3.35Å; F289-F292 PolarHBondContact O-N 3.43Å; F289-I293 WeakPolarHBondContact O-CG1 3.29Å; F289-I293 PolarHBondContact O-N 2.83Å; F289-W312 HydrophobicContact CE1-CZ3 4.06Å; F289-W312 HydrophobicContact CZ-CZ3 4.2Å; F289-L320 HydrophobicContact CB-CD1 4.09Å; F289-L320 HydrophobicContact CD1-CB 4.49Å; F289-L320 HydrophobicContact CD1-CD1 3.75Å; F289-L320 HydrophobicContact CD2-CB 4.39Å; F289-L320 HydrophobicContact CE1-CD1 4.37Å; F289-L320 HydrophobicContact CE2-CB 4.5Å; F289-L320 HydrophobicContact CG-CB 4.39Å; F289-L320 HydrophobicContact CG-CD1 3.99Å; F289-A323 HydrophobicContact CB-CB 3.52Å
290Q94.4Very high89.7Confident64 Ų6454.9 Ų54.930%0.29929%0.286SS..Hα-helixtrans-61.7-43.5173.2-75.417910.400111.3S286 T294 A323 T327S286-Q290 WeakPolarHBondContact O-CB 3.44Å; S286-Q290 WeakPolarHBondContact O-CG 3.48Å; S286-Q290 PolarHBondContact O-N 3.16Å; S286-Q290 PolarHBondContact OG-NE2 2.96Å; Q290-T294 WeakPolarHBondContact O-CB 3.44Å; Q290-T294 PolarHBondContact O-N 2.82Å; Q290-T294 PolarHBondContact O-OG1 3.29Å; Q290-A323 HydrophobicContact CG-CB 4.1Å; Q290-T327 HydrophobicContact CB-CG2 3.61Å; Q290-T327 HydrophobicContact CG-CG2 3.58Å
291S94.2Very high89.8Confident43 Ų4354.3 Ų54.330%0.30129%0.287SS..Hα-helixtrans-60.5-48.7173.7173.30000110.9S251 S287 S288 F289 I293 T294 S295S251-S291 PolarHBondContact OG-OG 2.83Å; S287-S291 WeakPolarHBondContact O-CB 3.38Å; S287-S291 PolarHBondContact O-N 2.9Å; S288-S291 PolarHBondContact O-N 3.02Å; F289-S291 VanDerWaalsContact C-N 3.35Å; S291-I293 PolarHBondContact O-N 3.38Å; S291-T294 PolarHBondContact O-N 3.14Å; S291-S295 PolarHBondContact O-N 3.15Å; S291-S295 PolarHBondContact O-OG 3.06Å
292F95.6Very high90.2Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-57.8-47.3179.8169.8-123.8000112.8L250 S251 P254 L263 L265 S288 F289 S295 F296 I307 L320L250-F292 HydrophobicContact CB-CB 4.15Å; L250-F292 HydrophobicContact CB-CD2 3.66Å; L250-F292 HydrophobicContact CB-CE2 4.14Å; L250-F292 HydrophobicContact CB-CG 3.88Å; L250-F292 HydrophobicContact CD1-CD1 4.42Å; L250-F292 HydrophobicContact CD1-CG 4.46Å; L250-F292 WeakPolarHBondContact O-CD2 3.42Å; S251-F292 WeakPolarHBondContact OG-CA 3.47Å; S251-F292 PolarHBondContact OG-N 3.14Å; P254-F292 HydrophobicContact CG-CD2 4.12Å; P254-F292 HydrophobicContact CG-CE2 4.2Å; L263-F292 HydrophobicContact CD2-CE2 4.15Å; L263-F292 HydrophobicContact CD2-CZ 4.03Å; L265-F292 HydrophobicContact CD1-CZ 4.26Å; S288-F292 WeakPolarHBondContact O-CB 3.47Å; S288-F292 PolarHBondContact O-N 2.92Å; F289-F292 PolarHBondContact O-N 3.43Å; F292-S295 PolarHBondContact O-N 3.25Å; F292-F296 HydrophobicContact CD2-CE2 4.21Å; F292-F296 HydrophobicContact CE1-CE2 4.32Å; F292-F296 HydrophobicContact CE2-CD2 4.49Å; F292-F296 AromaticContact CE2-CE2 3.57Å; F292-F296 HydrophobicContact CE2-CE2 3.57Å; F292-F296 HydrophobicContact CE2-CZ 4.26Å; F292-F296 AromaticContact CZ-CE2 3.64Å; F292-F296 HydrophobicContact CZ-CE2 3.64Å; F292-F296 HydrophobicContact CZ-CZ 4.28Å; F292-F296 WeakPolarHBondContact O-CD2 3.5Å; F292-I307 HydrophobicContact CE1-CD1 4.22Å; F292-I307 HydrophobicContact CZ-CD1 4.44Å; F292-L320 HydrophobicContact CD1-CD1 3.89Å; F292-L320 HydrophobicContact CE1-CD1 4.13Å
293I96.2Very high90.8Very high0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-67.6-44.4178.2-63.7-58.1000111F289 S291 S295 F296 F297 I307 L320 C324 T327 V328F289-I293 WeakPolarHBondContact O-CG1 3.29Å; F289-I293 PolarHBondContact O-N 2.83Å; S291-I293 PolarHBondContact O-N 3.38Å; I293-S295 PolarHBondContact O-N 3.5Å; I293-F296 PolarHBondContact O-N 3.01Å; I293-F296 VanDerWaalsContact O-N 3.12Å; I293-F297 HydrophobicContact CG2-CE2 4.05Å; I293-F297 VanDerWaalsContact O-CD2 3.27Å; I293-F297 WeakPolarHBondContact O-CD2 3.47Å; I293-I307 HydrophobicContact CD1-CD1 3.81Å; I293-L320 HydrophobicContact CD1-CD1 3.82Å; I293-L320 HydrophobicContact CG1-CD1 4.01Å; I293-C324 WeakPolarHBondContact CD1-SG 3.26Å; I293-T327 WeakPolarHBondContact CB-OG1 3.42Å; I293-T327 WeakPolarHBondContact CG2-OG1 3.2Å; I293-V328 HydrophobicContact CG2-CG2 3.78Å
294T95.1Very high91.6Very high48 Ų4848.4 Ų48.429%0.29425%0.253SS..Hα-helixtrans-56.3-39.6177.2-620000111.6Q290 S291 F296 F297 N298Q290-T294 WeakPolarHBondContact O-CB 3.44Å; Q290-T294 PolarHBondContact O-N 2.82Å; Q290-T294 PolarHBondContact O-OG1 3.29Å; S291-T294 PolarHBondContact O-N 3.14Å; T294-F296 PolarHBondContact O-N 3.49Å; T294-F297 PolarHBondContact O-N 3.22Å; T294-N298 WeakPolarHBondContact CG2-OD1 3.48Å; T294-N298 VanDerWaalsContact O-CG 3.23Å; T294-N298 PolarHBondContact O-N 2.75Å; T294-N298 PolarHBondContact O-OD1 2.94Å
295S95.7Very high92.4Very high5 Ų544.2 Ų44.24%0.03523%0.23CC..Hα-helixtrans-58.5-29.7178.2-73.80000114.5D255 S291 F292 I293 F297D255-S295 VanDerWaalsContact CG-OG 3.28Å; D255-S295 WeakPolarHBondContact OD1-CB 3.47Å; D255-S295 PolarHBondContact OD1-OG 2.89Å; D255-S295 PolarHBondContact OD2-OG 3.1Å; S291-S295 PolarHBondContact O-N 3.15Å; S291-S295 PolarHBondContact O-OG 3.06Å; F292-S295 PolarHBondContact O-N 3.25Å; I293-S295 PolarHBondContact O-N 3.5Å; S295-F297 VanDerWaalsContact C-N 3.25Å; S295-F297 PolarHBondContact O-N 3.38Å
296F96.7Very high93Very high2 Ų245.2 Ų45.21%0.00923%0.234CC..Hα-helixtrans-64.7-30.1174-82.8-85.8000113P254 L260 L263 F292 I293 T294 K302 V305 I307P254-F296 HydrophobicContact CB-CD1 4.01Å; P254-F296 HydrophobicContact CB-CD2 3.94Å; P254-F296 HydrophobicContact CB-CE1 4.18Å; P254-F296 HydrophobicContact CB-CE2 4.12Å; P254-F296 HydrophobicContact CB-CG 3.89Å; P254-F296 HydrophobicContact CB-CZ 4.24Å; P254-F296 HydrophobicContact CG-CD2 3.99Å; P254-F296 HydrophobicContact CG-CE2 3.97Å; P254-F296 HydrophobicContact CG-CG 4.45Å; P254-F296 HydrophobicContact CG-CZ 4.4Å; L260-F296 HydrophobicContact CD2-CE1 3.99Å; L260-F296 HydrophobicContact CD2-CZ 4.42Å; L260-F296 HydrophobicContact CG-CE1 4.18Å; L260-F296 WeakPolarHBondContact O-CD1 3.44Å; L263-F296 HydrophobicContact CB-CE1 4.46Å; L263-F296 HydrophobicContact CB-CZ 4.06Å; L263-F296 HydrophobicContact CD2-CZ 3.81Å; F292-F296 HydrophobicContact CD2-CE2 4.21Å; F292-F296 HydrophobicContact CE1-CE2 4.32Å; F292-F296 HydrophobicContact CE2-CD2 4.49Å; F292-F296 AromaticContact CE2-CE2 3.57Å; F292-F296 HydrophobicContact CE2-CE2 3.57Å; F292-F296 HydrophobicContact CE2-CZ 4.26Å; F292-F296 AromaticContact CZ-CE2 3.64Å; F292-F296 HydrophobicContact CZ-CE2 3.64Å; F292-F296 HydrophobicContact CZ-CZ 4.28Å; F292-F296 WeakPolarHBondContact O-CD2 3.5Å; I293-F296 PolarHBondContact O-N 3.01Å; I293-F296 VanDerWaalsContact O-N 3.12Å; T294-F296 PolarHBondContact O-N 3.49Å; F296-K302 PolarHBondContact O-NZ 3.49Å; F296-V305 HydrophobicContact CB-CG2 4.25Å; F296-V305 HydrophobicContact CD1-CG1 3.7Å; F296-V305 HydrophobicContact CD1-CG2 4.31Å; F296-V305 HydrophobicContact CD2-CG1 4.46Å; F296-V305 HydrophobicContact CE1-CG1 3.88Å; F296-V305 HydrophobicContact CG-CG1 4.01Å; F296-V305 HydrophobicContact CG-CG2 4.49Å; F296-V305 HydrophobicContact CZ-CG1 4.34Å; F296-I307 HydrophobicContact CE2-CD1 4.03Å; F296-I307 HydrophobicContact CZ-CD1 4.37Å
297F95.2Very high93.6Very high24 Ų2443.5 Ų43.511%0.10522%0.222CC..Hα-helixtrans-103.9-15.6-173-58.2-80.5000113.3I293 T294 S295 K299 K302 V305 V328 P329 V334I293-F297 HydrophobicContact CG2-CE2 4.05Å; I293-F297 VanDerWaalsContact O-CD2 3.27Å; I293-F297 WeakPolarHBondContact O-CD2 3.47Å; T294-F297 PolarHBondContact O-N 3.22Å; S295-F297 VanDerWaalsContact C-N 3.25Å; S295-F297 PolarHBondContact O-N 3.38Å; F297-K299 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 2.82Å; F297-K302 HydrophobicContact CD1-CB 4.31Å; F297-K302 HydrophobicContact CE1-CB 4.2Å; F297-K302 WeakPolarHBondContact CE1-O 3.3Å; F297-V305 HydrophobicContact CE1-CG2 3.84Å; F297-V305 HydrophobicContact CE2-CG2 4.39Å; F297-V305 HydrophobicContact CZ-CB 4.35Å; F297-V305 HydrophobicContact CZ-CG2 3.62Å; F297-V328 HydrophobicContact CE2-CG2 4.14Å; F297-V328 HydrophobicContact CZ-CG1 4.22Å; F297-V328 HydrophobicContact CZ-CG2 4.43Å; F297-P329 HydrophobicContact CB-CG 3.97Å; F297-P329 HydrophobicContact CD1-CG 4.14Å; F297-P329 HydrophobicContact CD2-CG 4.46Å; F297-P329 HydrophobicContact CG-CG 3.93Å; F297-V334 HydrophobicContact CE2-CG2 4.07Å; F297-V334 HydrophobicContact CZ-CG2 3.88Å
298N90Very high94.1Very high101 Ų10140 Ų4054%0.5420%0.197SC..SBendtrans-57.1-34.1-174-82.6-14.9000115.4T294T294-N298 WeakPolarHBondContact CG2-OD1 3.48Å; T294-N298 VanDerWaalsContact O-CG 3.23Å; T294-N298 PolarHBondContact O-N 2.75Å; T294-N298 PolarHBondContact O-OD1 2.94Å
299K87.9Confident94.3Very high117 Ų11739.8 Ų39.851%0.50920%0.195SC..SBendtrans-105.8-38.4-169.3-64.6-172.6176.8-1740114.5D255 S258 F297D255-K299 WeakPolarHBondContact O-CE 3.36Å; D255-K299 PolarHBondContact O-NZ 2.86Å; S258-K299 WeakPolarHBondContact OG-CD 3.25Å; F297-K299 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 2.82Å
300I89.1Confident94.3Very high57 Ų5742 Ų4229%0.29220%0.204SC..SBendtrans-141.3128.6-175.9-59.4-177.8000106.3Y259 K302Y259-I300 HydrophobicContact CD1-CD1 3.67Å; Y259-I300 HydrophobicContact CD2-CD1 4.21Å; Y259-I300 HydrophobicContact CE1-CD1 3.54Å; Y259-I300 HydrophobicContact CE2-CD1 4.09Å; Y259-I300 HydrophobicContact CG-CD1 4.01Å; I300-K302 PolarHBondContact O-N 3.49Å; I300-K302 PolarHBondContact O-NZ 3.28Å
301H87Confident94.1Very high114 Ų11443.5 Ų43.553%0.52821%0.214SC..  trans-62.9131.8174.9-174.469.3000110.3H303H301-H303 AromaticContact CD2-CE1 3.75Å; H301-H303 AromaticContact NE2-CE1 3.44Å; H301-H303 PolarHBondContact NE2-CE1 2.77Å; H301-H303 AromaticContact NE2-ND1 3.49Å; H301-H303 PolarHBondContact NE2-ND1 3.17Å
302K92.2Very high94.1Very high18 Ų1842.3 Ų42.38%0.07820%0.203CC..  trans-131127.5-179.5-64.4178.8-175.175.30108.2S258 L260 H261 F296 F297 I300 Q304 V305 S332S258-K302 WeakPolarHBondContact O-CE 3.17Å; S258-K302 PolarHBondContact O-NZ 2.87Å; L260-K302 WeakPolarHBondContact O-CE 3.34Å; H261-K302 HydrophobicContact CB-CD 4.14Å; F296-K302 PolarHBondContact O-NZ 3.49Å; F297-K302 HydrophobicContact CD1-CB 4.31Å; F297-K302 HydrophobicContact CE1-CB 4.2Å; F297-K302 WeakPolarHBondContact CE1-O 3.3Å; I300-K302 PolarHBondContact O-N 3.49Å; I300-K302 PolarHBondContact O-NZ 3.28Å; K302-Q304 VanDerWaalsContact C-N 3.35Å; K302-V305 HydrophobicContact CB-CG2 4.24Å; K302-V305 HydrophobicContact CD-CG2 4.13Å; K302-S332 WeakPolarHBondContact O-CB 3.46Å; K302-S332 PolarHBondContact O-OG 2.82Å; K302-S332 VanDerWaalsContact O-OG 3.09Å
303H94.1Very high93.9Very high128 Ų12844.3 Ų44.359%0.59322%0.216SC*.SBendtrans-73-31.6174.3-64.3-56.3000112.2H301 S332 T333H301-H303 AromaticContact CD2-CE1 3.75Å; H301-H303 AromaticContact NE2-CE1 3.44Å; H301-H303 PolarHBondContact NE2-CE1 2.77Å; H301-H303 AromaticContact NE2-ND1 3.49Å; H301-H303 PolarHBondContact NE2-ND1 3.17Å; H303-S332 CarbonylContact O-C 3.59Å; H303-S332 WeakPolarHBondContact O-CA 3.44Å; H303-T333 PolarHBondContact O-N 3.41Å
304Q96.1Very high93.6Very high84 Ų8449.7 Ų49.739%0.39324%0.241SC..EExtended strand (participates in β ladder)trans-139.3136.8-174.5-62.1-177.9-25.800110.6K302 Y306 T333 Y335K302-Q304 VanDerWaalsContact C-N 3.35Å; Q304-Y306 HydrophobicContact CB-CE2 3.97Å; Q304-Y306 PolarHBondContact OE1-OH 3.23Å; Q304-T333 WeakPolarHBondContact CA-O 3.47Å; Q304-Y335 HydrophobicContact CB-CE2 4.2Å; Q304-Y335 HydrophobicContact CG-CE2 4.03Å
305V97.5Very high93.4Very high0 Ų052.5 Ų52.50%025%0.249CC..EExtended strand (participates in β ladder)trans-129.3136172.2175.30000108.4H261 F296 F297 K302 I307 T333 V334 Y335H261-V305 CarbonylContact O-C 3.6Å; H261-V305 VanDerWaalsContact O-CA 3.32Å; H261-V305 WeakPolarHBondContact O-CA 3.46Å; F296-V305 HydrophobicContact CB-CG2 4.25Å; F296-V305 HydrophobicContact CD1-CG1 3.7Å; F296-V305 HydrophobicContact CD1-CG2 4.31Å; F296-V305 HydrophobicContact CD2-CG1 4.46Å; F296-V305 HydrophobicContact CE1-CG1 3.88Å; F296-V305 HydrophobicContact CG-CG1 4.01Å; F296-V305 HydrophobicContact CG-CG2 4.49Å; F296-V305 HydrophobicContact CZ-CG1 4.34Å; F297-V305 HydrophobicContact CE1-CG2 3.84Å; F297-V305 HydrophobicContact CE2-CG2 4.39Å; F297-V305 HydrophobicContact CZ-CB 4.35Å; F297-V305 HydrophobicContact CZ-CG2 3.62Å; K302-V305 HydrophobicContact CB-CG2 4.24Å; K302-V305 HydrophobicContact CD-CG2 4.13Å; V305-I307 HydrophobicContact CG1-CD1 4.22Å; V305-I307 HydrophobicContact CG1-CG1 3.91Å; V305-T333 PolarHBondContact N-O 2.92Å; V305-V334 HydrophobicContact CB-CG2 4.18Å; V305-V334 CarbonylContact O-C 3.49Å; V305-V334 WeakPolarHBondContact O-CA 3.34Å; V305-Y335 PolarHBondContact O-N 2.95Å
306Y97.5Very high93.2Very high22 Ų2252.2 Ų52.29%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-118.2117.2-176.7-55.6-88.3000109.1H261 T262 L263 Q304 Y335 Y337 R362H261-Y306 PolarHBondContact O-N 3.48Å; T262-Y306 CarbonylContact C-O 3.56Å; T262-Y306 WeakPolarHBondContact CA-O 3.29Å; L263-Y306 PolarHBondContact N-O 3.27Å; Q304-Y306 HydrophobicContact CB-CE2 3.97Å; Q304-Y306 PolarHBondContact OE1-OH 3.23Å; Y306-Y335 AromaticContact CD1-CD2 3.83Å; Y306-Y335 HydrophobicContact CD1-CD2 3.83Å; Y306-Y335 HydrophobicContact CD1-CG 4.04Å; Y306-Y335 AromaticContact CE1-CD2 3.65Å; Y306-Y335 HydrophobicContact CE1-CD2 3.65Å; Y306-Y335 HydrophobicContact CE1-CE2 4.09Å; Y306-Y335 HydrophobicContact CE1-CG 4.09Å; Y306-Y337 AromaticContact CD1-CE2 4Å; Y306-Y337 HydrophobicContact CD1-CE2 4Å; Y306-R362 PolarHBondContact OH-NH1 2.97Å
307I97.8Very high93Very high0 Ų052.5 Ų52.50%025%0.249CC..EExtended strand (participates in β ladder)trans-122.9123.5-178.7-48.5-179.2000108.9L263 F292 I293 F296 V305 I309 V334 Y335 L336 Y337L263-I307 CarbonylContact O-C 3.21Å; L263-I307 VanDerWaalsContact O-CA 3.3Å; L263-I307 WeakPolarHBondContact O-CA 3.41Å; F292-I307 HydrophobicContact CE1-CD1 4.22Å; F292-I307 HydrophobicContact CZ-CD1 4.44Å; I293-I307 HydrophobicContact CD1-CD1 3.81Å; F296-I307 HydrophobicContact CE2-CD1 4.03Å; F296-I307 HydrophobicContact CZ-CD1 4.37Å; V305-I307 HydrophobicContact CG1-CD1 4.22Å; V305-I307 HydrophobicContact CG1-CG1 3.91Å; I307-I309 HydrophobicContact CG2-CG2 4.02Å; I307-V334 HydrophobicContact CD1-CG1 3.95Å; I307-V334 HydrophobicContact CG1-CG1 4.25Å; I307-Y335 PolarHBondContact N-O 3.08Å; I307-L336 HydrophobicContact CB-CD2 3.8Å; I307-L336 HydrophobicContact CD1-CD2 4.12Å; I307-L336 HydrophobicContact CG1-CD2 4.3Å; I307-L336 HydrophobicContact CG2-CD2 4.44Å; I307-L336 CarbonylContact O-C 3.58Å; I307-L336 WeakPolarHBondContact O-CA 3.27Å; I307-Y337 PolarHBondContact O-N 3.37Å
308Y97.3Very high92.8Very high8 Ų853.7 Ų53.73%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-105.2124178.2-57.4-106.8000109T262 L263 N264 L265 S266 Y310 Y337 F363T262-Y308 HydrophobicContact CG2-CD2 4.48Å; T262-Y308 HydrophobicContact CG2-CE2 3.87Å; L263-Y308 PolarHBondContact O-N 3.02Å; N264-Y308 HydrophobicContact CB-CD2 4.29Å; N264-Y308 HydrophobicContact CB-CG 4.34Å; N264-Y308 WeakPolarHBondContact OD1-CB 3.36Å; L265-Y308 PolarHBondContact N-O 3.28Å; S266-Y308 PolarHBondContact N-O 3.23Å; S266-Y308 PolarHBondContact OG-O 3.48Å; Y308-Y310 AromaticContact CD1-CE2 3.7Å; Y308-Y310 HydrophobicContact CD1-CE2 3.7Å; Y308-Y310 HydrophobicContact CG-CE2 4.49Å; Y308-Y337 VanDerWaalsContact CD1-CB 3.43Å; Y308-Y337 HydrophobicContact CD1-CD1 4.12Å; Y308-Y337 AromaticContact CD1-CD2 3.86Å; Y308-Y337 HydrophobicContact CD1-CD2 3.86Å; Y308-Y337 AromaticContact CD1-CG 3.55Å; Y308-Y337 HydrophobicContact CD1-CG 3.55Å; Y308-Y337 HydrophobicContact CD2-CD2 4.33Å; Y308-Y337 AromaticContact CE1-CD1 3.67Å; Y308-Y337 HydrophobicContact CE1-CD1 3.67Å; Y308-Y337 AromaticContact CE1-CD2 3.62Å; Y308-Y337 HydrophobicContact CE1-CD2 3.62Å; Y308-Y337 HydrophobicContact CE1-CE1 4.03Å; Y308-Y337 HydrophobicContact CE1-CE2 4.02Å; Y308-Y337 AromaticContact CE1-CG 3.45Å; Y308-Y337 HydrophobicContact CE1-CG 3.45Å; Y308-Y337 VanDerWaalsContact CE1-CG 3.45Å; Y308-Y337 HydrophobicContact CE2-CD2 4.06Å; Y308-Y337 HydrophobicContact CE2-CE2 4.22Å; Y308-Y337 HydrophobicContact CG-CD2 4.21Å; Y308-Y337 HydrophobicContact CG-CG 4.25Å; Y308-Y337 AromaticContact CZ-CD2 3.73Å; Y308-Y337 AromaticContact CZ-CE2 3.76Å; Y308-F363 HydrophobicContact CD1-CD2 4.36Å; Y308-F363 HydrophobicContact CD1-CE2 4.47Å; Y308-F363 AromaticContact CD2-CE2 3.88Å; Y308-F363 HydrophobicContact CD2-CE2 3.88Å; Y308-F363 AromaticContact CE1-CD2 3.84Å; Y308-F363 HydrophobicContact CE1-CD2 3.84Å; Y308-F363 AromaticContact CE1-CE2 3.97Å; Y308-F363 HydrophobicContact CE1-CE2 3.97Å; Y308-F363 HydrophobicContact CE2-CD2 4.09Å; Y308-F363 AromaticContact CE2-CE2 3.34Å; Y308-F363 HydrophobicContact CE2-CE2 3.34Å; Y308-F363 HydrophobicContact CE2-CZ 4.2Å; Y308-F363 HydrophobicContact CG-CE2 4.43Å; Y308-F363 AromaticContact CZ-CD2 3.69Å; Y308-F363 AromaticContact CZ-CE2 3.37Å
309I96Very high92.8Very high1 Ų150.2 Ų50.21%0.00524%0.239CC..  trans-137.143.2-174.449.9159.3000110I307 D311 W312 T317 L320 Y337 V338I307-I309 HydrophobicContact CG2-CG2 4.02Å; I309-D311 PolarHBondContact O-N 2.72Å; I309-W312 HydrophobicContact CB-CB 4.16Å; I309-W312 HydrophobicContact CB-CD2 3.68Å; I309-W312 HydrophobicContact CB-CE3 4.22Å; I309-W312 HydrophobicContact CB-CG 3.63Å; I309-W312 HydrophobicContact CD1-CE3 4.33Å; I309-W312 HydrophobicContact CG2-CD2 3.67Å; I309-W312 HydrophobicContact CG2-CE3 4Å; I309-W312 HydrophobicContact CG2-CG 4.16Å; I309-W312 HydrophobicContact CG2-CH2 4.08Å; I309-W312 HydrophobicContact CG2-CZ2 3.75Å; I309-W312 HydrophobicContact CG2-CZ3 4.19Å; I309-W312 WeakPolarHBondContact O-CB 3.42Å; I309-W312 PolarHBondContact O-N 2.99Å; I309-T317 HydrophobicContact CD1-CG2 4.04Å; I309-L320 HydrophobicContact CD1-CD2 4.02Å; I309-Y337 WeakPolarHBondContact CG1-O 2.88Å; I309-Y337 PolarHBondContact N-O 3.22Å; I309-V338 HydrophobicContact CD1-CG1 3.8Å; I309-V338 HydrophobicContact CG1-CG1 3.79Å
310Y94Very high93.1Very high47 Ų4744.6 Ų44.618%0.18421%0.214CC..THydrogen-bonded Turntrans-57.9141.4172.7-52.5-65.3000109.7S266 E267 Y308 W312 V338 N339S266-Y310 VanDerWaalsContact CA-O 3.31Å; S266-Y310 WeakPolarHBondContact CA-O 3.35Å; S266-Y310 VanDerWaalsContact OG-CD2 3.23Å; S266-Y310 WeakPolarHBondContact OG-CD2 3.44Å; S266-Y310 PolarHBondContact OG-N 3.31Å; E267-Y310 PolarHBondContact N-O 3.26Å; Y308-Y310 AromaticContact CD1-CE2 3.7Å; Y308-Y310 HydrophobicContact CD1-CE2 3.7Å; Y308-Y310 HydrophobicContact CG-CE2 4.49Å; Y310-W312 PolarHBondContact O-N 3.27Å; Y310-V338 WeakPolarHBondContact CE1-O 3.36Å; Y310-N339 WeakPolarHBondContact CA-OD1 3.47Å
311D91.9Very high93.3Very high95 Ų9542.6 Ų42.651%0.50820%0.204SC..THydrogen-bonded Turntrans66.213-174.6-55.9-24.4000115.8E267 I309 N339E267-D311 WeakPolarHBondContact CG-OD2 3.43Å; I309-D311 PolarHBondContact O-N 2.72Å; D311-N339 PolarHBondContact N-OD1 2.89Å; D311-N339 PolarHBondContact OD1-ND2 3.01Å; D311-N339 PolarHBondContact OD1-OD1 3.05Å
312W93.2Very high93.5Very high17 Ų1740 Ų406%0.06420%0.199CC..  trans-71.9133.1170.4-79.140.4000111.3L250 L265 I271 T272 L275 F289 I309 Y310 H314 L316 L320L250-W312 HydrophobicContact CD1-CH2 4.41Å; L265-W312 HydrophobicContact CB-CZ2 4.06Å; L265-W312 HydrophobicContact CD1-CZ2 4.19Å; L265-W312 PolarHBondContact O-NE1 3.25Å; I271-W312 HydrophobicContact CG2-CH2 4.4Å; I271-W312 HydrophobicContact CG2-CZ2 3.97Å; T272-W312 HydrophobicContact CG2-CB 4.49Å; T272-W312 HydrophobicContact CG2-CD2 4.15Å; T272-W312 HydrophobicContact CG2-CG 3.85Å; L275-W312 HydrophobicContact CD1-CH2 3.89Å; L275-W312 HydrophobicContact CD1-CZ3 4.02Å; F289-W312 HydrophobicContact CE1-CZ3 4.06Å; F289-W312 HydrophobicContact CZ-CZ3 4.2Å; I309-W312 HydrophobicContact CB-CB 4.16Å; I309-W312 HydrophobicContact CB-CD2 3.68Å; I309-W312 HydrophobicContact CB-CE3 4.22Å; I309-W312 HydrophobicContact CB-CG 3.63Å; I309-W312 HydrophobicContact CD1-CE3 4.33Å; I309-W312 HydrophobicContact CG2-CD2 3.67Å; I309-W312 HydrophobicContact CG2-CE3 4Å; I309-W312 HydrophobicContact CG2-CG 4.16Å; I309-W312 HydrophobicContact CG2-CH2 4.08Å; I309-W312 HydrophobicContact CG2-CZ2 3.75Å; I309-W312 HydrophobicContact CG2-CZ3 4.19Å; I309-W312 WeakPolarHBondContact O-CB 3.42Å; I309-W312 PolarHBondContact O-N 2.99Å; Y310-W312 PolarHBondContact O-N 3.27Å; W312-H314 PolarHBondContact O-N 3.13Å; W312-L316 HydrophobicContact CE3-CB 4.11Å; W312-L320 HydrophobicContact CZ3-CD2 4.33Å
313P91.9Very high93.5Very high42 Ų4239.2 Ų39.227%0.27320%0.195SC..  trans-54.7137.6173.7-2429.4000112.2L276 K315 L316 T317L276-P313 HydrophobicContact CD1-CB 4.38Å; L276-P313 HydrophobicContact CD1-CG 3.74Å; L276-P313 HydrophobicContact CD2-CB 4.25Å; L276-P313 HydrophobicContact CD2-CG 4.34Å; L276-P313 HydrophobicContact CG-CG 4.18Å; P313-K315 PolarHBondContact O-N 2.89Å; P313-L316 HydrophobicContact CB-CG 4.46Å; P313-L316 HydrophobicContact CG-CD1 4.31Å; P313-L316 WeakPolarHBondContact O-CB 3.46Å; P313-L316 PolarHBondContact O-N 3.43Å; P313-T317 PolarHBondContact O-N 3.24Å; P313-T317 VanDerWaalsContact O-N 3.12Å; P313-T317 PolarHBondContact O-OG1 3.16Å
314H89.9Confident93.5Very high114 Ų11433.1 Ų33.153%0.52817%0.167SC..Hα-helixtrans-46-42.8-179179.3-92.2000114.2W312 L316 T317 M318 P342W312-H314 PolarHBondContact O-N 3.13Å; H314-L316 VanDerWaalsContact C-N 3.32Å; H314-L316 PolarHBondContact O-N 3.32Å; H314-T317 PolarHBondContact O-N 3.33Å; H314-M318 WeakPolarHBondContact O-CG 3.25Å; H314-M318 PolarHBondContact O-N 3.43Å; H314-P342 WeakPolarHBondContact NE2-CB 3.37Å; H314-P342 WeakPolarHBondContact NE2-CG 3.4Å
315K89.8Confident93.2Very high106 Ų10630.5 Ų30.546%0.46116%0.16SC..Hα-helixtrans-59.7-40.1178.4-67.8-177.1-179.7178.20112.8F279 P313 S319F279-K315 HydrophobicContact CE1-CD 4.2Å; P313-K315 PolarHBondContact O-N 2.89Å; K315-S319 WeakPolarHBondContact O-CB 3.39Å; K315-S319 PolarHBondContact O-N 3.36Å; K315-S319 VanDerWaalsContact O-N 3.15Å; K315-S319 PolarHBondContact O-OG 2.96Å
316L92.3Very high92.9Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-72.5-44.5178.3-62.5-171.4000110.8T272 L275 L276 L285 W312 P313 H314 M318 S319 L320T272-L316 HydrophobicContact CG2-CD1 4.46Å; L275-L316 HydrophobicContact CB-CD1 3.69Å; L275-L316 HydrophobicContact CB-CD2 3.92Å; L275-L316 HydrophobicContact CB-CG 4.48Å; L275-L316 HydrophobicContact CD1-CD1 4.19Å; L276-L316 HydrophobicContact CD2-CD1 4.3Å; L276-L316 HydrophobicContact CD2-CD2 4.06Å; L276-L316 HydrophobicContact CD2-CG 3.94Å; L276-L316 HydrophobicContact CG-CD1 4.04Å; L276-L316 HydrophobicContact CG-CD2 4.46Å; L276-L316 HydrophobicContact CG-CG 4.24Å; L285-L316 HydrophobicContact CD1-CD2 3.37Å; W312-L316 HydrophobicContact CE3-CB 4.11Å; P313-L316 HydrophobicContact CB-CG 4.46Å; P313-L316 HydrophobicContact CG-CD1 4.31Å; P313-L316 WeakPolarHBondContact O-CB 3.46Å; P313-L316 PolarHBondContact O-N 3.43Å; H314-L316 VanDerWaalsContact C-N 3.32Å; H314-L316 PolarHBondContact O-N 3.32Å; L316-M318 PolarHBondContact O-N 3.22Å; L316-S319 WeakPolarHBondContact O-CB 3.46Å; L316-S319 PolarHBondContact O-N 3.41Å; L316-L320 PolarHBondContact O-N 2.98Å
317T92.3Very high92.7Very high8 Ų836.5 Ų36.55%0.04919%0.194CC..Hα-helixtrans-55.1-49.5176.5-58.10000111.5I309 P313 H314 S319 L320 F321 V338 L353I309-T317 HydrophobicContact CD1-CG2 4.04Å; P313-T317 PolarHBondContact O-N 3.24Å; P313-T317 VanDerWaalsContact O-N 3.12Å; P313-T317 PolarHBondContact O-OG1 3.16Å; H314-T317 PolarHBondContact O-N 3.33Å; T317-S319 PolarHBondContact O-N 2.87Å; T317-L320 PolarHBondContact O-N 2.76Å; T317-F321 WeakPolarHBondContact O-CB 3.48Å; T317-F321 PolarHBondContact O-N 3.35Å; T317-V338 HydrophobicContact CG2-CG1 3.67Å; T317-L353 HydrophobicContact CG2-CD1 4.34Å
318M90.2Very high92.6Very high49 Ų4936.6 Ų36.624%0.24119%0.194CC..Hα-helixtrans-65.6-38.7178.1-69.8-51-57.800112.5H314 L316 L320 F321 S322 P342 V345H314-M318 WeakPolarHBondContact O-CG 3.25Å; H314-M318 PolarHBondContact O-N 3.43Å; L316-M318 PolarHBondContact O-N 3.22Å; M318-L320 VanDerWaalsContact C-N 3.33Å; M318-L320 PolarHBondContact O-N 3.45Å; M318-F321 HydrophobicContact CE-CD1 4.32Å; M318-F321 PolarHBondContact O-N 3.18Å; M318-S322 PolarHBondContact O-N 3.48Å; M318-S322 PolarHBondContact O-OG 3.17Å; M318-P342 HydrophobicContact SD-CG 3.87Å; M318-V345 HydrophobicContact CE-CG2 3.74Å; M318-V345 HydrophobicContact SD-CG2 3.75Å
319S91.3Very high92.5Very high27 Ų2738.4 Ų38.419%0.18921%0.207CC..Hα-helixtrans-63.2-39.8176.1-60.60000111.9K315 L316 T317 A323K315-S319 WeakPolarHBondContact O-CB 3.39Å; K315-S319 PolarHBondContact O-N 3.36Å; K315-S319 VanDerWaalsContact O-N 3.15Å; K315-S319 PolarHBondContact O-OG 2.96Å; L316-S319 WeakPolarHBondContact O-CB 3.46Å; L316-S319 PolarHBondContact O-N 3.41Å; T317-S319 PolarHBondContact O-N 2.87Å; S319-A323 PolarHBondContact O-N 2.89Å; S319-A323 VanDerWaalsContact O-N 3.08Å
320L93.8Very high92.3Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-67.9-43.1174.7-177.964.6000111.7F289 F292 I293 I309 W312 L316 T317 M318 S322 A323 C324 L336F289-L320 HydrophobicContact CB-CD1 4.09Å; F289-L320 HydrophobicContact CD1-CB 4.49Å; F289-L320 HydrophobicContact CD1-CD1 3.75Å; F289-L320 HydrophobicContact CD2-CB 4.39Å; F289-L320 HydrophobicContact CE1-CD1 4.37Å; F289-L320 HydrophobicContact CE2-CB 4.5Å; F289-L320 HydrophobicContact CG-CB 4.39Å; F289-L320 HydrophobicContact CG-CD1 3.99Å; F292-L320 HydrophobicContact CD1-CD1 3.89Å; F292-L320 HydrophobicContact CE1-CD1 4.13Å; I293-L320 HydrophobicContact CD1-CD1 3.82Å; I293-L320 HydrophobicContact CG1-CD1 4.01Å; I309-L320 HydrophobicContact CD1-CD2 4.02Å; W312-L320 HydrophobicContact CZ3-CD2 4.33Å; L316-L320 PolarHBondContact O-N 2.98Å; T317-L320 PolarHBondContact O-N 2.76Å; M318-L320 VanDerWaalsContact C-N 3.33Å; M318-L320 PolarHBondContact O-N 3.45Å; L320-S322 PolarHBondContact O-N 3.42Å; L320-A323 WeakPolarHBondContact O-CB 3.49Å; L320-A323 PolarHBondContact O-N 3.43Å; L320-C324 PolarHBondContact O-N 3.3Å; L320-C324 PolarHBondContact O-SG 3.46Å; L320-L336 HydrophobicContact CD2-CD1 4.29Å; L320-L336 HydrophobicContact CD2-CD2 3.95Å; L320-L336 HydrophobicContact CG-CD1 4.24Å; L320-L336 HydrophobicContact CG-CD2 4.44Å
321F92.6Very high92.3Very high15 Ų1545.7 Ų45.77%0.06627%0.265CS..Hα-helixtrans-58.4-47.2175.9179.1-90.2000111.4T317 M318 A323 C324 A325 L336 V345 C351T317-F321 WeakPolarHBondContact O-CB 3.48Å; T317-F321 PolarHBondContact O-N 3.35Å; M318-F321 HydrophobicContact CE-CD1 4.32Å; M318-F321 PolarHBondContact O-N 3.18Å; F321-A323 VanDerWaalsContact C-N 3.32Å; F321-A323 PolarHBondContact O-N 2.97Å; F321-C324 WeakPolarHBondContact O-CB 3.2Å; F321-C324 PolarHBondContact O-N 2.88Å; F321-C324 VanDerWaalsContact O-N 3.17Å; F321-A325 PolarHBondContact O-N 3.34Å; F321-A325 VanDerWaalsContact O-N 3.1Å; F321-L336 HydrophobicContact CB-CD1 4.14Å; F321-L336 HydrophobicContact CD2-CD1 4.36Å; F321-V345 HydrophobicContact CD1-CG1 3.98Å; F321-V345 HydrophobicContact CD2-CG1 4.24Å; F321-V345 HydrophobicContact CE1-CG1 3.37Å; F321-V345 HydrophobicContact CE2-CG1 3.68Å; F321-V345 HydrophobicContact CG-CG1 4.38Å; F321-V345 HydrophobicContact CZ-CG1 3.21Å; F321-C351 HydrophobicContact CD2-CB 4.21Å; F321-C351 WeakPolarHBondContact CD2-SG 3.21Å; F321-C351 HydrophobicContact CE2-CB 3.95Å
322S91.3Very high92.5Very high60 Ų6041.2 Ų41.242%0.4224%0.242SC..Hα-helixtrans-61.6-38.4175.2-63.10000112.4M318 L320 A325 L326M318-S322 PolarHBondContact O-N 3.48Å; M318-S322 PolarHBondContact O-OG 3.17Å; L320-S322 PolarHBondContact O-N 3.42Å; S322-A325 PolarHBondContact O-N 2.95Å; S322-L326 WeakPolarHBondContact O-CG 3.32Å; S322-L326 PolarHBondContact O-N 3.27Å
323A93.6Very high92.6Very high0 Ų041.5 Ų41.50%025%0.246CC..Hα-helixtrans-62.5-43.517400000111.6F289 Q290 S319 L320 F321 A325 L326 T327F289-A323 HydrophobicContact CB-CB 3.52Å; Q290-A323 HydrophobicContact CG-CB 4.1Å; S319-A323 PolarHBondContact O-N 2.89Å; S319-A323 VanDerWaalsContact O-N 3.08Å; L320-A323 WeakPolarHBondContact O-CB 3.49Å; L320-A323 PolarHBondContact O-N 3.43Å; F321-A323 VanDerWaalsContact C-N 3.32Å; F321-A323 PolarHBondContact O-N 2.97Å; A323-A325 VanDerWaalsContact C-N 3.32Å; A323-A325 PolarHBondContact O-N 3.18Å; A323-L326 PolarHBondContact O-N 3.16Å; A323-L326 VanDerWaalsContact O-N 3.09Å; A323-T327 PolarHBondContact O-N 3.04Å; A323-T327 PolarHBondContact O-OG1 2.99Å
324C94.2Very high92.8Very high0 Ų039.5 Ų39.50%023%0.233CC..Hα-helixtrans-58.4-42.8177-63.20000112.2I293 L320 F321 L326 T327 V328 C351I293-C324 WeakPolarHBondContact CD1-SG 3.26Å; L320-C324 PolarHBondContact O-N 3.3Å; L320-C324 PolarHBondContact O-SG 3.46Å; F321-C324 WeakPolarHBondContact O-CB 3.2Å; F321-C324 PolarHBondContact O-N 2.88Å; F321-C324 VanDerWaalsContact O-N 3.17Å; C324-L326 PolarHBondContact O-N 3.14Å; C324-T327 PolarHBondContact O-N 2.94Å; C324-V328 HydrophobicContact CB-CG2 4.1Å; C324-V328 VanDerWaalsContact O-CB 3.31Å; C324-V328 WeakPolarHBondContact O-CB 3.13Å; C324-V328 WeakPolarHBondContact O-CG2 3.25Å; C324-V328 PolarHBondContact O-N 3.13Å; C324-V328 VanDerWaalsContact O-N 3.12Å; C324-C351 HydrophobicContact CB-CB 3.61Å; C324-C351 VanDerWaalsContact CB-SG 3.52Å
325A89.1Confident93.1Very high30 Ų3035.9 Ų35.925%0.24821%0.214CC..Hα-helixtrans-58.6-32.1177.800000113F321 S322 A323 N348F321-A325 PolarHBondContact O-N 3.34Å; F321-A325 VanDerWaalsContact O-N 3.1Å; S322-A325 PolarHBondContact O-N 2.95Å; A323-A325 VanDerWaalsContact C-N 3.32Å; A323-A325 PolarHBondContact O-N 3.18Å; A325-N348 VanDerWaalsContact CB-ND2 3.31Å; A325-N348 WeakPolarHBondContact CB-ND2 3.43Å
326L91.6Very high93.3Very high118 Ų11830.8 Ų30.862%0.61819%0.192SC*.Hα-helixtrans-88.6-34.2-176.6-65.1171.9000113.5S322 A323 C324S322-L326 WeakPolarHBondContact O-CG 3.32Å; S322-L326 PolarHBondContact O-N 3.27Å; A323-L326 PolarHBondContact O-N 3.16Å; A323-L326 VanDerWaalsContact O-N 3.09Å; C324-L326 PolarHBondContact O-N 3.14Å
327T93.6Very high93.5Very high30 Ų3031.5 Ų31.518%0.18420%0.195CC..Hα-helixtrans-109.5-18.7-167.756.80000115.3Q290 I293 A323 C324 P329Q290-T327 HydrophobicContact CB-CG2 3.61Å; Q290-T327 HydrophobicContact CG-CG2 3.58Å; I293-T327 WeakPolarHBondContact CB-OG1 3.42Å; I293-T327 WeakPolarHBondContact CG2-OG1 3.2Å; A323-T327 PolarHBondContact O-N 3.04Å; A323-T327 PolarHBondContact O-OG1 2.99Å; C324-T327 PolarHBondContact O-N 2.94Å; T327-P329 WeakPolarHBondContact O-CD 3.17Å
328V95.4Very high93.5Very high1 Ų131.4 Ų31.41%0.00620%0.195CC..SBendtrans-67.3127.3-179.2173.90000109.4I293 F297 C324 S332 V334 K350I293-V328 HydrophobicContact CG2-CG2 3.78Å; F297-V328 HydrophobicContact CE2-CG2 4.14Å; F297-V328 HydrophobicContact CZ-CG1 4.22Å; F297-V328 HydrophobicContact CZ-CG2 4.43Å; C324-V328 HydrophobicContact CB-CG2 4.1Å; C324-V328 VanDerWaalsContact O-CB 3.31Å; C324-V328 WeakPolarHBondContact O-CB 3.13Å; C324-V328 WeakPolarHBondContact O-CG2 3.25Å; C324-V328 PolarHBondContact O-N 3.13Å; C324-V328 VanDerWaalsContact O-N 3.12Å; V328-S332 WeakPolarHBondContact CG1-O 3.21Å; V328-V334 HydrophobicContact CG1-CG2 4.46Å; V328-V334 HydrophobicContact CG2-CB 4.22Å; V328-V334 HydrophobicContact CG2-CG2 3.36Å; V328-K350 HydrophobicContact CB-CB 3.96Å; V328-K350 HydrophobicContact CB-CD 4.39Å; V328-K350 HydrophobicContact CB-CG 4.3Å; V328-K350 HydrophobicContact CG1-CB 4.11Å; V328-K350 HydrophobicContact CG1-CG 4.32Å; V328-K350 WeakPolarHBondContact O-CD 3.34Å; V328-K350 WeakPolarHBondContact O-CE 3.4Å; V328-K350 PolarHBondContact O-NZ 2.93Å
329P94.6Very high93.4Very high46 Ų4631.6 Ų31.630%0.29920%0.197SC..PPolyproline II helixtrans-61.4152178-2333.5000112.3F297 T327 S332F297-P329 HydrophobicContact CB-CG 3.97Å; F297-P329 HydrophobicContact CD1-CG 4.14Å; F297-P329 HydrophobicContact CD2-CG 4.46Å; F297-P329 HydrophobicContact CG-CG 3.93Å; T327-P329 WeakPolarHBondContact O-CD 3.17Å; P329-S332 WeakPolarHBondContact O-CB 3.5Å; P329-S332 PolarHBondContact O-N 3.19Å; P329-S332 VanDerWaalsContact O-N 3.13Å
330D92.2Very high92.9Very high131 Ų13136.7 Ų36.770%0.70122%0.222SC*.THydrogen-bonded Turntrans-60.6141174.6-61.2-23.1000110.6S332 K350D330-S332 VanDerWaalsContact C-N 3.27Å; D330-S332 PolarHBondContact O-N 3.44Å; D330-K350 WeakPolarHBondContact OD1-CE 3.39Å; D330-K350 IonicContact OD1-NZ 2.79Å; D330-K350 PolarHBondContact OD1-NZ 3.01Å
331G92.8Very high92Very high70 Ų7038.6 Ų38.672%0.72224%0.237SC*.THydrogen-bonded Turntrans78.64.1-173.700000115.2
332S96.3Very high90.9Very high2 Ų239.3 Ų39.31%0.01424%0.243CC..  trans-115.8152.9175-49.50000111.3K302 H303 V328 P329 D330K302-S332 WeakPolarHBondContact O-CB 3.46Å; K302-S332 PolarHBondContact O-OG 2.82Å; K302-S332 VanDerWaalsContact O-OG 3.09Å; H303-S332 CarbonylContact O-C 3.59Å; H303-S332 WeakPolarHBondContact O-CA 3.44Å; V328-S332 WeakPolarHBondContact CG1-O 3.21Å; P329-S332 WeakPolarHBondContact O-CB 3.5Å; P329-S332 PolarHBondContact O-N 3.19Å; P329-S332 VanDerWaalsContact O-N 3.13Å; D330-S332 VanDerWaalsContact C-N 3.27Å; D330-S332 PolarHBondContact O-N 3.44Å
333T96Very high89.8Confident23 Ų2346.7 Ų46.714%0.14127%0.268CS..EExtended strand (participates in β ladder)trans-135132.7177.2-53.50000111.3H303 Q304 V305 Y335 S349 K350 K352H303-T333 PolarHBondContact O-N 3.41Å; Q304-T333 WeakPolarHBondContact CA-O 3.47Å; V305-T333 PolarHBondContact N-O 2.92Å; T333-Y335 HydrophobicContact CG2-CD2 4.3Å; T333-Y335 HydrophobicContact CG2-CE1 4.4Å; T333-Y335 HydrophobicContact CG2-CE2 3.89Å; T333-S349 PolarHBondContact OG1-O 3.45Å; T333-K350 WeakPolarHBondContact CA-O 2.8Å; T333-K352 HydrophobicContact CG2-CD 4.27Å; T333-K352 HydrophobicContact CG2-CG 4.11Å
334V96.7Very high88.2Confident0 Ų052.6 Ų52.60%031%0.308CS..EExtended strand (participates in β ladder)trans-98.9125.4168.4177.70000109.5F297 V305 I307 V328 L336 K350 C351 K352F297-V334 HydrophobicContact CE2-CG2 4.07Å; F297-V334 HydrophobicContact CZ-CG2 3.88Å; V305-V334 HydrophobicContact CB-CG2 4.18Å; V305-V334 CarbonylContact O-C 3.49Å; V305-V334 WeakPolarHBondContact O-CA 3.34Å; I307-V334 HydrophobicContact CD1-CG1 3.95Å; I307-V334 HydrophobicContact CG1-CG1 4.25Å; V328-V334 HydrophobicContact CG1-CG2 4.46Å; V328-V334 HydrophobicContact CG2-CB 4.22Å; V328-V334 HydrophobicContact CG2-CG2 3.36Å; V334-L336 HydrophobicContact CG1-CD2 3.7Å; V334-L336 HydrophobicContact CG1-CG 4.2Å; V334-K350 PolarHBondContact N-O 3.43Å; V334-C351 VanDerWaalsContact O-CA 3.3Å; V334-C351 WeakPolarHBondContact O-CA 3.5Å; V334-K352 PolarHBondContact O-N 2.91Å
335Y95.1Very high86.9Confident37 Ų3754 Ų5415%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-99.9115173.1-63.1-91000109.1Q304 V305 Y306 I307 T333 K352 I354Q304-Y335 HydrophobicContact CB-CE2 4.2Å; Q304-Y335 HydrophobicContact CG-CE2 4.03Å; V305-Y335 PolarHBondContact O-N 2.95Å; Y306-Y335 AromaticContact CD1-CD2 3.83Å; Y306-Y335 HydrophobicContact CD1-CD2 3.83Å; Y306-Y335 HydrophobicContact CD1-CG 4.04Å; Y306-Y335 AromaticContact CE1-CD2 3.65Å; Y306-Y335 HydrophobicContact CE1-CD2 3.65Å; Y306-Y335 HydrophobicContact CE1-CE2 4.09Å; Y306-Y335 HydrophobicContact CE1-CG 4.09Å; I307-Y335 PolarHBondContact N-O 3.08Å; T333-Y335 HydrophobicContact CG2-CD2 4.3Å; T333-Y335 HydrophobicContact CG2-CE1 4.4Å; T333-Y335 HydrophobicContact CG2-CE2 3.89Å; Y335-K352 HydrophobicContact CD1-CB 3.99Å; Y335-K352 HydrophobicContact CD1-CD 4.19Å; Y335-K352 HydrophobicContact CE1-CB 4.3Å; Y335-K352 HydrophobicContact CE1-CD 3.64Å; Y335-K352 HydrophobicContact CE1-CG 4.46Å; Y335-I354 HydrophobicContact CD1-CD1 3.64Å; Y335-I354 HydrophobicContact CE1-CD1 4.47Å; Y335-I354 HydrophobicContact CG-CD1 4.38Å
336L95.2Very high85.7Confident0 Ų061 Ų610%034%0.344CS..EExtended strand (participates in β ladder)trans-98.8119.6176-61.7-175.4000109.4I307 L320 F321 V334 K352 L353 I354I307-L336 HydrophobicContact CB-CD2 3.8Å; I307-L336 HydrophobicContact CD1-CD2 4.12Å; I307-L336 HydrophobicContact CG1-CD2 4.3Å; I307-L336 HydrophobicContact CG2-CD2 4.44Å; I307-L336 CarbonylContact O-C 3.58Å; I307-L336 WeakPolarHBondContact O-CA 3.27Å; L320-L336 HydrophobicContact CD2-CD1 4.29Å; L320-L336 HydrophobicContact CD2-CD2 3.95Å; L320-L336 HydrophobicContact CG-CD1 4.24Å; L320-L336 HydrophobicContact CG-CD2 4.44Å; F321-L336 HydrophobicContact CB-CD1 4.14Å; F321-L336 HydrophobicContact CD2-CD1 4.36Å; V334-L336 HydrophobicContact CG1-CD2 3.7Å; V334-L336 HydrophobicContact CG1-CG 4.2Å; L336-K352 PolarHBondContact N-O 3.35Å; L336-L353 HydrophobicContact CB-CD1 3.68Å; L336-L353 HydrophobicContact CD1-CD1 4.49Å; L336-L353 CarbonylContact O-C 3.52Å; L336-L353 WeakPolarHBondContact O-CA 3.31Å; L336-I354 PolarHBondContact O-N 2.98Å
337Y94.8Very high84.8Confident15 Ų1560.3 Ų60.36%0.05934%0.338CS..EExtended strand (participates in β ladder)trans-99.6125.8177.3-66.3-104.4000110.6Y306 I307 Y308 I309 I354Y306-Y337 AromaticContact CD1-CE2 4Å; Y306-Y337 HydrophobicContact CD1-CE2 4Å; I307-Y337 PolarHBondContact O-N 3.37Å; Y308-Y337 VanDerWaalsContact CD1-CB 3.43Å; Y308-Y337 HydrophobicContact CD1-CD1 4.12Å; Y308-Y337 AromaticContact CD1-CD2 3.86Å; Y308-Y337 HydrophobicContact CD1-CD2 3.86Å; Y308-Y337 AromaticContact CD1-CG 3.55Å; Y308-Y337 HydrophobicContact CD1-CG 3.55Å; Y308-Y337 HydrophobicContact CD2-CD2 4.33Å; Y308-Y337 AromaticContact CE1-CD1 3.67Å; Y308-Y337 HydrophobicContact CE1-CD1 3.67Å; Y308-Y337 AromaticContact CE1-CD2 3.62Å; Y308-Y337 HydrophobicContact CE1-CD2 3.62Å; Y308-Y337 HydrophobicContact CE1-CE1 4.03Å; Y308-Y337 HydrophobicContact CE1-CE2 4.02Å; Y308-Y337 AromaticContact CE1-CG 3.45Å; Y308-Y337 HydrophobicContact CE1-CG 3.45Å; Y308-Y337 VanDerWaalsContact CE1-CG 3.45Å; Y308-Y337 HydrophobicContact CE2-CD2 4.06Å; Y308-Y337 HydrophobicContact CE2-CE2 4.22Å; Y308-Y337 HydrophobicContact CG-CD2 4.21Å; Y308-Y337 HydrophobicContact CG-CG 4.25Å; Y308-Y337 AromaticContact CZ-CD2 3.73Å; Y308-Y337 AromaticContact CZ-CE2 3.76Å; I309-Y337 WeakPolarHBondContact CG1-O 2.88Å; I309-Y337 PolarHBondContact N-O 3.22Å; Y337-I354 VanDerWaalsContact CA-O 3.31Å; Y337-I354 WeakPolarHBondContact CA-O 3.42Å; Y337-I354 HydrophobicContact CD1-CB 3.82Å; Y337-I354 HydrophobicContact CD1-CD1 4.44Å; Y337-I354 HydrophobicContact CD1-CG2 3.71Å; Y337-I354 HydrophobicContact CE1-CB 3.93Å; Y337-I354 HydrophobicContact CE1-CD1 3.74Å; Y337-I354 HydrophobicContact CE1-CG1 4.43Å; Y337-I354 HydrophobicContact CE1-CG2 3.67Å; Y337-I354 HydrophobicContact CE2-CD1 4.14Å; Y337-I354 HydrophobicContact CG-CB 4.3Å
338V93.5Very high84.2Confident6 Ų661.6 Ų61.64%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-137.4162.1-173.2-66.40000110.9I309 Y310 T317 A341 L353 I354 S355 S356I309-V338 HydrophobicContact CD1-CG1 3.8Å; I309-V338 HydrophobicContact CG1-CG1 3.79Å; Y310-V338 WeakPolarHBondContact CE1-O 3.36Å; T317-V338 HydrophobicContact CG2-CG1 3.67Å; V338-A341 HydrophobicContact CG2-CB 4.4Å; V338-L353 HydrophobicContact CB-CD1 4.46Å; V338-L353 HydrophobicContact CG1-CD1 3.79Å; V338-L353 HydrophobicContact CG2-CD1 3.77Å; V338-L353 HydrophobicContact CG2-CD2 4.3Å; V338-L353 HydrophobicContact CG2-CG 3.86Å; V338-I354 PolarHBondContact N-O 2.79Å; V338-S355 CarbonylContact O-C 3.58Å; V338-S355 VanDerWaalsContact O-CA 3.28Å; V338-S355 WeakPolarHBondContact O-CA 3.39Å; V338-S356 PolarHBondContact O-N 3.02Å
339N88.2Confident83.7Confident53 Ų5366.1 Ų66.128%0.28338%0.375SS..SBendtrans-64.1-57.7178.1-52.259.6000109.2Y310 D311 S355 S356Y310-N339 WeakPolarHBondContact CA-OD1 3.47Å; D311-N339 PolarHBondContact N-OD1 2.89Å; D311-N339 PolarHBondContact OD1-ND2 3.01Å; D311-N339 PolarHBondContact OD1-OD1 3.05Å; N339-S355 PolarHBondContact O-OG 3.14Å; N339-S356 PolarHBondContact O-N 2.89Å; N339-S356 PolarHBondContact O-OG 2.97Å
340D80.9Confident83.7Confident134 Ų13466 Ų6672%0.71737%0.37SS*.SBendtrans-124.3119.6-179.8-63.3-50000110
341A73.8Confident83.8Confident39 Ų3959.8 Ų59.832%0.32234%0.337SS..  trans-72.1128.6172.600000108.9V338 K343 L353V338-A341 HydrophobicContact CG2-CB 4.4Å; A341-K343 PolarHBondContact O-N 3.41Å; A341-L353 HydrophobicContact CB-CD2 3.91Å; A341-L353 HydrophobicContact CB-CG 4.17Å
342P70.1Confident83.7Confident30 Ų3060.1 Ų60.120%0.19532%0.318CS..  trans-63.5131.1177.1-14.628.5000109.5H314 M318 C344 V345 L353H314-P342 WeakPolarHBondContact NE2-CB 3.37Å; H314-P342 WeakPolarHBondContact NE2-CG 3.4Å; M318-P342 HydrophobicContact SD-CG 3.87Å; P342-C344 PolarHBondContact O-N 3.38Å; P342-V345 HydrophobicContact CB-CG2 3.92Å; P342-V345 HydrophobicContact CG-CG2 4.09Å; P342-V345 PolarHBondContact O-N 3.07Å; P342-L353 HydrophobicContact CG-CD2 4.33Å
343K67.6Low83.4Confident216 Ų21660.6 Ų60.694%0.93932%0.32SS*.THydrogen-bonded Turntrans-62.3-9.5-172.7-61.9-176.4179.7179.90114.9A341A341-K343 PolarHBondContact O-N 3.41Å
344C61.4Low83Confident123 Ų12360.8 Ų60.883%0.83132%0.32SS*.THydrogen-bonded Turntrans-113.414.9-170.9-57.40000113.8P342P342-C344 PolarHBondContact O-N 3.38Å
345V66.9Low82.4Confident30 Ų3061.7 Ų61.718%0.18233%0.327CS..  trans-91.9114.4-179.4-174.30000109.8M318 F321 P342 E347 L353M318-V345 HydrophobicContact CE-CG2 3.74Å; M318-V345 HydrophobicContact SD-CG2 3.75Å; F321-V345 HydrophobicContact CD1-CG1 3.98Å; F321-V345 HydrophobicContact CD2-CG1 4.24Å; F321-V345 HydrophobicContact CE1-CG1 3.37Å; F321-V345 HydrophobicContact CE2-CG1 3.68Å; F321-V345 HydrophobicContact CG-CG1 4.38Å; F321-V345 HydrophobicContact CZ-CG1 3.21Å; P342-V345 HydrophobicContact CB-CG2 3.92Å; P342-V345 HydrophobicContact CG-CG2 4.09Å; P342-V345 PolarHBondContact O-N 3.07Å; V345-E347 PolarHBondContact O-N 3.15Å; V345-L353 HydrophobicContact CG2-CD2 4.44Å
346E63.5Low81.3Confident178 Ų17862.5 Ų62.583%0.83234%0.337SS*.  trans-71.6104.2163.2-72.3-174.6174.500108.3
347E72.3Confident79.4Confident103 Ų10366.8 Ų66.848%0.48137%0.373SS..  trans-58.6142.8170.4-60.6-164.2142.500110.1V345 L353V345-E347 PolarHBondContact O-N 3.15Å; E347-L353 PolarHBondContact OE1-N 2.54Å
348N80.1Confident77.3Confident57 Ų5770.5 Ų70.531%0.30540%0.397SS..  trans-119.2170.7173.665.242.2000110.2A325 K350 C351A325-N348 VanDerWaalsContact CB-ND2 3.31Å; A325-N348 WeakPolarHBondContact CB-ND2 3.43Å; N348-K350 PolarHBondContact O-N 3.39Å; N348-K350 VanDerWaalsContact O-N 3.11Å; N348-K350 WeakPolarHBondContact OD1-CA 3.48Å; N348-K350 VanDerWaalsContact OD1-CB 3.31Å; N348-K350 WeakPolarHBondContact OD1-CB 3.38Å; N348-K350 PolarHBondContact OD1-N 2.94Å; N348-C351 PolarHBondContact N-O 3.42Å; N348-C351 CarbonylContact O-C 3.27Å; N348-C351 PolarHBondContact O-N 3.13Å; N348-C351 PolarHBondContact OD1-N 3.33Å
349S86.6Confident74.8Confident96 Ų9674 Ų7467%0.67142%0.416SS*.SBendtrans-61.3-21.5-178.9540000113.7T333T333-S349 PolarHBondContact OG1-O 3.45Å
350K93.5Very high72.2Confident44 Ų4478 Ų7819%0.19144%0.437CS..SBendtrans-89.1-30.5-176.8-71.3-175.5178.7-1540113.3V328 D330 T333 V334 N348V328-K350 HydrophobicContact CB-CB 3.96Å; V328-K350 HydrophobicContact CB-CD 4.39Å; V328-K350 HydrophobicContact CB-CG 4.3Å; V328-K350 HydrophobicContact CG1-CB 4.11Å; V328-K350 HydrophobicContact CG1-CG 4.32Å; V328-K350 WeakPolarHBondContact O-CD 3.34Å; V328-K350 WeakPolarHBondContact O-CE 3.4Å; V328-K350 PolarHBondContact O-NZ 2.93Å; D330-K350 WeakPolarHBondContact OD1-CE 3.39Å; D330-K350 IonicContact OD1-NZ 2.79Å; D330-K350 PolarHBondContact OD1-NZ 3.01Å; T333-K350 WeakPolarHBondContact CA-O 2.8Å; V334-K350 PolarHBondContact N-O 3.43Å; N348-K350 PolarHBondContact O-N 3.39Å; N348-K350 VanDerWaalsContact O-N 3.11Å; N348-K350 WeakPolarHBondContact OD1-CA 3.48Å; N348-K350 VanDerWaalsContact OD1-CB 3.31Å; N348-K350 WeakPolarHBondContact OD1-CB 3.38Å; N348-K350 PolarHBondContact OD1-N 2.94Å
351C93.7Very high70.2Confident0 Ų078.7 Ų78.70%044%0.44CS..EExtended strand (participates in β ladder)trans-142.9128-177.7-166.60000112F321 C324 V334 N348F321-C351 HydrophobicContact CD2-CB 4.21Å; F321-C351 WeakPolarHBondContact CD2-SG 3.21Å; F321-C351 HydrophobicContact CE2-CB 3.95Å; C324-C351 HydrophobicContact CB-CB 3.61Å; C324-C351 VanDerWaalsContact CB-SG 3.52Å; V334-C351 VanDerWaalsContact O-CA 3.3Å; V334-C351 WeakPolarHBondContact O-CA 3.5Å; N348-C351 PolarHBondContact N-O 3.42Å; N348-C351 CarbonylContact O-C 3.27Å; N348-C351 PolarHBondContact O-N 3.13Å; N348-C351 PolarHBondContact OD1-N 3.33Å
352K91.4Very high69Low77 Ų7784 Ų8434%0.33545%0.452SS..EExtended strand (participates in β ladder)trans-118.9142.6175.5-64-176179.2-177.50110.2T333 V334 Y335 L336T333-K352 HydrophobicContact CG2-CD 4.27Å; T333-K352 HydrophobicContact CG2-CG 4.11Å; V334-K352 PolarHBondContact O-N 2.91Å; Y335-K352 HydrophobicContact CD1-CB 3.99Å; Y335-K352 HydrophobicContact CD1-CD 4.19Å; Y335-K352 HydrophobicContact CE1-CB 4.3Å; Y335-K352 HydrophobicContact CE1-CD 3.64Å; Y335-K352 HydrophobicContact CE1-CG 4.46Å; L336-K352 PolarHBondContact N-O 3.35Å
353L90.4Very high67.8Low12 Ų1284.3 Ų84.36%0.06345%0.45CS..EExtended strand (participates in β ladder)trans-115.2111.9-176.4-169.271.3000109.8T317 L336 V338 A341 P342 V345 E347T317-L353 HydrophobicContact CG2-CD1 4.34Å; L336-L353 HydrophobicContact CB-CD1 3.68Å; L336-L353 HydrophobicContact CD1-CD1 4.49Å; L336-L353 CarbonylContact O-C 3.52Å; L336-L353 WeakPolarHBondContact O-CA 3.31Å; V338-L353 HydrophobicContact CB-CD1 4.46Å; V338-L353 HydrophobicContact CG1-CD1 3.79Å; V338-L353 HydrophobicContact CG2-CD1 3.77Å; V338-L353 HydrophobicContact CG2-CD2 4.3Å; V338-L353 HydrophobicContact CG2-CG 3.86Å; A341-L353 HydrophobicContact CB-CD2 3.91Å; A341-L353 HydrophobicContact CB-CG 4.17Å; P342-L353 HydrophobicContact CG-CD2 4.33Å; V345-L353 HydrophobicContact CG2-CD2 4.44Å; E347-L353 PolarHBondContact OE1-N 2.54Å
354I88.3Confident66.5Low27 Ų2782.5 Ų82.514%0.13845%0.451CS..EExtended strand (participates in β ladder)trans-105.6121.9-174.7-59175.4000109Y335 L336 Y337 V338Y335-I354 HydrophobicContact CD1-CD1 3.64Å; Y335-I354 HydrophobicContact CE1-CD1 4.47Å; Y335-I354 HydrophobicContact CG-CD1 4.38Å; L336-I354 PolarHBondContact O-N 2.98Å; Y337-I354 VanDerWaalsContact CA-O 3.31Å; Y337-I354 WeakPolarHBondContact CA-O 3.42Å; Y337-I354 HydrophobicContact CD1-CB 3.82Å; Y337-I354 HydrophobicContact CD1-CD1 4.44Å; Y337-I354 HydrophobicContact CD1-CG2 3.71Å; Y337-I354 HydrophobicContact CE1-CB 3.93Å; Y337-I354 HydrophobicContact CE1-CD1 3.74Å; Y337-I354 HydrophobicContact CE1-CG1 4.43Å; Y337-I354 HydrophobicContact CE1-CG2 3.67Å; Y337-I354 HydrophobicContact CE2-CD1 4.14Å; Y337-I354 HydrophobicContact CG-CB 4.3Å; V338-I354 PolarHBondContact N-O 2.79Å
355S83.8Confident66.7Low19 Ų1980.5 Ų80.513%0.13343%0.432CS..EExtended strand (participates in β ladder)trans-85.4143173.71670000111.2V338 N339 A357 T358V338-S355 CarbonylContact O-C 3.58Å; V338-S355 VanDerWaalsContact O-CA 3.28Å; V338-S355 WeakPolarHBondContact O-CA 3.39Å; N339-S355 PolarHBondContact O-OG 3.14Å; S355-A357 PolarHBondContact O-N 3.04Å; S355-A357 VanDerWaalsContact O-N 3.1Å; S355-A357 PolarHBondContact OG-N 3.5Å; S355-T358 PolarHBondContact O-N 2.97Å; S355-T358 PolarHBondContact O-OG1 3.31Å
356S72Confident66.7Low53 Ų5383.2 Ų83.237%0.37145%0.445SS..G310 helixtrans-56.8-25.5177.862.80000113.2V338 N339 T358 N359V338-S356 PolarHBondContact O-N 3.02Å; N339-S356 PolarHBondContact O-N 2.89Å; N339-S356 PolarHBondContact O-OG 2.97Å; S356-T358 PolarHBondContact O-N 3.43Å; S356-N359 PolarHBondContact O-N 3.2Å
357A55.8Low66.9Low90 Ų9077.9 Ų77.974%0.74442%0.424SS*.G310 helixtrans-59.7-10173.700000113.8S355S355-A357 PolarHBondContact O-N 3.04Å; S355-A357 VanDerWaalsContact O-N 3.1Å; S355-A357 PolarHBondContact OG-N 3.5Å
358T49.9Very low66.6Low94 Ų9476.4 Ų76.458%0.57742%0.42SS*.G310 helixtrans-115-4.5-175.959.10000115.8S355 S356S355-T358 PolarHBondContact O-N 2.97Å; S355-T358 PolarHBondContact O-OG1 3.31Å; S356-T358 PolarHBondContact O-N 3.43Å
359N40.6Very low65.7Low80 Ų8077.6 Ų77.643%0.42843%0.427SS..  trans-158.8114.4-178-94.6-41.3000115.4S356S356-N359 PolarHBondContact O-N 3.2Å
360D33.4Very low64.3Low137 Ų13776.4 Ų76.473%0.73341%0.411SS*.  trans-92.113172.7-90.6-21.9000114.4
361L39.3Very low62.2Low148 Ų14878.7 Ų78.778%0.77543%0.427SS*.  trans-117.812.6-149.8-75.3168.6000119.6
362R48.4Very low59.8Low149 Ų14984.8 Ų84.856%0.56246%0.46SS*.SBendtrans-128.4-9.2179-75.4-168.9179.6-174.92.1118.3Y306Y306-R362 PolarHBondContact OH-NH1 2.97Å
363F44.2Very low57.2Low37 Ų3785.4 Ų85.416%0.16247%0.47CS..  trans-126.93.5-178-84.4-81.2000116.9K164 Y190 D231 T262 Y308K164-F363 PolarHBondContact NZ-O 2.66Å; K164-F363 VanDerWaalsContact NZ-O 3.12Å; Y190-F363 AromaticContact CE2-CE1 3.9Å; Y190-F363 HydrophobicContact CE2-CE1 3.9Å; Y190-F363 WeakPolarHBondContact OH-CD1 3.34Å; Y190-F363 WeakPolarHBondContact OH-CE1 3.41Å; D231-F363 HydrophobicContact CB-CD1 4.4Å; D231-F363 HydrophobicContact CB-CE1 3.9Å; D231-F363 WeakPolarHBondContact OD2-CD1 3.39Å; T262-F363 HydrophobicContact CG2-CE2 3.98Å; T262-F363 HydrophobicContact CG2-CZ 3.67Å; Y308-F363 HydrophobicContact CD1-CD2 4.36Å; Y308-F363 HydrophobicContact CD1-CE2 4.47Å; Y308-F363 AromaticContact CD2-CE2 3.88Å; Y308-F363 HydrophobicContact CD2-CE2 3.88Å; Y308-F363 AromaticContact CE1-CD2 3.84Å; Y308-F363 HydrophobicContact CE1-CD2 3.84Å; Y308-F363 AromaticContact CE1-CE2 3.97Å; Y308-F363 HydrophobicContact CE1-CE2 3.97Å; Y308-F363 HydrophobicContact CE2-CD2 4.09Å; Y308-F363 AromaticContact CE2-CE2 3.34Å; Y308-F363 HydrophobicContact CE2-CE2 3.34Å; Y308-F363 HydrophobicContact CE2-CZ 4.2Å; Y308-F363 HydrophobicContact CG-CE2 4.43Å; Y308-F363 AromaticContact CZ-CD2 3.69Å; Y308-F363 AromaticContact CZ-CE2 3.37Å
364D40.3Very low54.2Low179 Ų17992.1 Ų92.196%0.95751%0.507SS*.  trans-80.80173.9-77-13.4000114.1K164K164-D364 PolarHBondContact NZ-OXT 3.15Å

Retrieved 364 of 364 residues in 120.6 ms (Link to these results)

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