A0A077Z6D3_TRITR Loading...

DnaJ homolog subfamily A member 2

AlphaFold DB , UniProt , Accession A0A077Z6D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 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
1M35.9Very low53Low228 Ų228117.7 Ų117.7100%1.12372%0.72SS**  087.20-72.5174.6166.200108.8
2F41.7Very low55.7Low219 Ų219112.8 Ų112.896%0.96169%0.69SS**  trans-152.680.4166-73.1-68.8000108.2G4F2-G4 PolarHBondContact O-N 3.3Å
3G33.8Very low58.1Low86 Ų86108.8 Ų108.889%0.88767%0.666SS**  trans-83.591.9168.800000108.9G5G3-G5 PolarHBondContact O-N 3.42Å
4G37.9Very low60.3Low69 Ų69101.5 Ų101.571%0.71162%0.621SS**  trans-77.9102.9169.400000109.1F2 K6F2-G4 PolarHBondContact O-N 3.3Å; G4-K6 PolarHBondContact O-N 3.27Å; G4-K6 VanDerWaalsContact O-N 3.08Å
5G41Very low62.4Low80 Ų8094.7 Ų94.783%0.82558%0.579SS**  trans-58.7110.7172.700000109.8G3 G7G3-G5 PolarHBondContact O-N 3.42Å; G5-G7 PolarHBondContact O-N 3.03Å
6K53.7Low64.1Low182 Ų18294.3 Ų94.379%0.79157%0.572SS**PPolyproline II helixtrans-66.9120.7168.7-68.2-177.5177.2-178.80107G4G4-K6 PolarHBondContact O-N 3.27Å; G4-K6 VanDerWaalsContact O-N 3.08Å
7G58.5Low65.6Low70 Ų7091.7 Ų91.772%0.72255%0.554SS**PPolyproline II helixtrans-54.1140.5173.800000110.1G5G5-G7 PolarHBondContact O-N 3.03Å
8Q62.8Low67Low184 Ų18486.6 Ų86.686%0.8652%0.523SS*.PPolyproline II helixtrans-58.8140.7176.4-74.1176.2-23.400110
9P69.3Low68.1Low19 Ų1990.3 Ų90.312%0.12353%0.534CS..PPolyproline II helixtrans-64.3149177.426.9-32.4000110.6D11 T12 Y15 P22 D72P9-D11 VanDerWaalsContact C-N 3.29Å; P9-D11 PolarHBondContact O-N 2.89Å; P9-T12 HydrophobicContact CG-CG2 4.47Å; P9-Y15 HydrophobicContact CB-CE2 4.39Å; P9-Y15 HydrophobicContact CG-CE2 4.17Å; P9-P22 HydrophobicContact CG-CB 3.4Å; P9-P22 VanDerWaalsContact CG-CB 3.4Å; P9-P22 HydrophobicContact CG-CG 4.36Å; P9-D72 HydrophobicContact CB-CB 4.23Å
10V70Confident69.2Low103 Ų10386.8 Ų86.862%0.62451%0.513SS*.SBendtrans-65.1-34.3-178.6-179.20000111.6D72V10-D72 PolarHBondContact N-O 3.27Å
11D78.5Confident70.1Confident55 Ų5585.9 Ų85.929%0.29451%0.511SS..  trans-126.4138.7174.7-78.6-29.8000110.9P9 Y71 G75 V76P9-D11 VanDerWaalsContact C-N 3.29Å; P9-D11 PolarHBondContact O-N 2.89Å; D11-Y71 HydrophobicContact CB-CE2 4.15Å; D11-Y71 PolarHBondContact O-OH 3.46Å; D11-G75 WeakPolarHBondContact OD2-CA 3.4Å; D11-V76 PolarHBondContact OD2-N 3.04Å
12T85.3Confident72.5Confident59 Ų5976.8 Ų76.836%0.36247%0.469SS..  trans-103.5-2.1175.559.10000113.9P9 L14 Y15 D16P9-T12 HydrophobicContact CG-CG2 4.47Å; T12-L14 PolarHBondContact O-N 3.47Å; T12-Y15 WeakPolarHBondContact O-CA 3.26Å; T12-Y15 WeakPolarHBondContact O-CB 3.38Å; T12-Y15 PolarHBondContact O-N 3.24Å; T12-D16 WeakPolarHBondContact CB-OD2 3.47Å; T12-D16 VanDerWaalsContact O-CG 3.23Å; T12-D16 PolarHBondContact O-N 3Å; T12-D16 VanDerWaalsContact O-OD2 3.11Å; T12-D16 PolarHBondContact OG1-OD2 2.77Å
13T87.5Confident74.5Confident61 Ų6172 Ų7237%0.37445%0.453SS..Hα-helixtrans-53.1-43.1-169.753.30000114.7D16 I17 Y71 V76T13-D16 PolarHBondContact O-N 2.74Å; T13-I17 VanDerWaalsContact O-CG1 3.32Å; T13-I17 WeakPolarHBondContact O-CG1 3.21Å; T13-I17 PolarHBondContact O-N 3.31Å; T13-I17 VanDerWaalsContact O-N 3.14Å; T13-Y71 PolarHBondContact N-OH 2.89Å; T13-Y71 VanDerWaalsContact N-OH 3.12Å; T13-Y71 PolarHBondContact OG1-OH 2.72Å; T13-V76 WeakPolarHBondContact OG1-CG2 3.27Å
14L88.7Confident77Confident6 Ų668 Ų683%0.03141%0.412CS..Hα-helixtrans-74.1-32.1179.6-61-177000112.4T12 I17 L18 F57 A58 V61 L62 Y71 L79T12-L14 PolarHBondContact O-N 3.47Å; L14-I17 HydrophobicContact CD2-CD1 4.25Å; L14-L18 PolarHBondContact O-N 3.49Å; L14-F57 HydrophobicContact CD2-CD1 4.03Å; L14-F57 HydrophobicContact CD2-CE1 4.09Å; L14-A58 HydrophobicContact CB-CB 4.25Å; L14-A58 HydrophobicContact CD2-CB 4.1Å; L14-V61 HydrophobicContact CD1-CB 3.79Å; L14-V61 HydrophobicContact CD1-CG1 3.59Å; L14-V61 HydrophobicContact CD1-CG2 4.18Å; L14-L62 HydrophobicContact CB-CD1 4Å; L14-L62 HydrophobicContact CB-CG 4.33Å; L14-Y71 HydrophobicContact CB-CE1 3.89Å; L14-Y71 HydrophobicContact CB-CE2 4.4Å; L14-Y71 HydrophobicContact CD1-CD1 4.07Å; L14-Y71 HydrophobicContact CD1-CD2 3.63Å; L14-Y71 HydrophobicContact CD1-CE1 3.93Å; L14-Y71 HydrophobicContact CD1-CE2 3.5Å; L14-Y71 VanDerWaalsContact CD1-CE2 3.5Å; L14-Y71 HydrophobicContact CD1-CG 3.91Å; L14-Y71 HydrophobicContact CG-CD2 4.31Å; L14-Y71 HydrophobicContact CG-CE1 4.04Å; L14-Y71 HydrophobicContact CG-CE2 3.65Å; L14-Y71 VanDerWaalsContact CG-CZ 3.48Å; L14-Y71 PolarHBondContact N-OH 3.41Å; L14-L79 HydrophobicContact CD1-CD1 4.39Å
15Y91.3Very high79.4Confident0 Ų067 Ų670%039%0.394CS..Hα-helixtrans-69.6-37.4174.3-65.7-75.7000110.7P9 T12 L18 H19 V20 P22 L62 R68 Y71 D72P9-Y15 HydrophobicContact CB-CE2 4.39Å; P9-Y15 HydrophobicContact CG-CE2 4.17Å; T12-Y15 WeakPolarHBondContact O-CA 3.26Å; T12-Y15 WeakPolarHBondContact O-CB 3.38Å; T12-Y15 PolarHBondContact O-N 3.24Å; Y15-L18 CarbonylContact O-C 3.58Å; Y15-L18 PolarHBondContact O-N 2.93Å; Y15-H19 PolarHBondContact O-N 3.08Å; Y15-V20 HydrophobicContact CD1-CG2 3.96Å; Y15-V20 PolarHBondContact O-N 3.01Å; Y15-P22 HydrophobicContact CD2-CB 4.16Å; Y15-P22 HydrophobicContact CE2-CB 4.31Å; Y15-P22 HydrophobicContact CG-CB 4.35Å; Y15-L62 HydrophobicContact CD1-CD1 3.99Å; Y15-L62 HydrophobicContact CD1-CD2 4.28Å; Y15-L62 HydrophobicContact CE1-CD1 4.13Å; Y15-L62 HydrophobicContact CE1-CD2 3.66Å; Y15-L62 HydrophobicContact CE2-CD2 4.07Å; Y15-L62 HydrophobicContact CG-CD1 4.45Å; Y15-R68 PolarHBondContact OH-NE 3.28Å; Y15-R68 VanDerWaalsContact OH-NE 3.13Å; Y15-Y71 AromaticContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CE2-CD1 4.08Å; Y15-Y71 AromaticContact CE2-CE1 3.69Å; Y15-Y71 HydrophobicContact CE2-CE1 3.69Å; Y15-D72 WeakPolarHBondContact CE2-OD1 3.4Å; Y15-D72 PolarHBondContact OH-OD1 3.45Å; Y15-D72 PolarHBondContact OH-OD2 2.93Å
16D89.9Confident81.7Confident87 Ų8768.2 Ų68.247%0.46538%0.382SS..Hα-helixtrans-66.4-39.8177.5-64-35.1000112T12 T13 L18 H19T12-D16 WeakPolarHBondContact CB-OD2 3.47Å; T12-D16 VanDerWaalsContact O-CG 3.23Å; T12-D16 PolarHBondContact O-N 3Å; T12-D16 VanDerWaalsContact O-OD2 3.11Å; T12-D16 PolarHBondContact OG1-OD2 2.77Å; T13-D16 PolarHBondContact O-N 2.74Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 2.86Å; D16-H19 PolarHBondContact O-N 2.9Å; D16-H19 VanDerWaalsContact O-N 3.14Å; D16-H19 PolarHBondContact O-ND1 3.16Å
17I89.6Confident83.4Confident51 Ų5166.3 Ų66.326%0.26238%0.378SS..Hα-helixtrans-61.4-39.9174.9-69.4163.6000111.7T13 L14 H19 E54 I55 A58T13-I17 VanDerWaalsContact O-CG1 3.32Å; T13-I17 WeakPolarHBondContact O-CG1 3.21Å; T13-I17 PolarHBondContact O-N 3.31Å; T13-I17 VanDerWaalsContact O-N 3.14Å; L14-I17 HydrophobicContact CD2-CD1 4.25Å; I17-H19 VanDerWaalsContact C-N 3.3Å; I17-E54 HydrophobicContact CD1-CB 4.42Å; I17-E54 HydrophobicContact CG2-CB 4.22Å; I17-I55 HydrophobicContact CG2-CG1 4.16Å; I17-A58 HydrophobicContact CB-CB 4.27Å; I17-A58 HydrophobicContact CG2-CB 4.01Å
18L89.7Confident84.9Confident0 Ų067.7 Ų67.70%037%0.365CS..THydrogen-bonded Turntrans-86.51.6178.3-71.4-176000113.4L14 Y15 D16 V20 I29 S32 L36 I55 A58 L62L14-L18 PolarHBondContact O-N 3.49Å; Y15-L18 CarbonylContact O-C 3.58Å; Y15-L18 PolarHBondContact O-N 2.93Å; D16-L18 VanDerWaalsContact C-N 3.33Å; D16-L18 PolarHBondContact O-N 2.86Å; L18-V20 HydrophobicContact CB-CG2 3.78Å; L18-V20 PolarHBondContact O-N 2.84Å; L18-I29 HydrophobicContact CD1-CG2 3.91Å; L18-S32 WeakPolarHBondContact O-CB 3.41Å; L18-S32 PolarHBondContact O-OG 2.91Å; L18-L36 HydrophobicContact CD2-CD1 4.17Å; L18-I55 HydrophobicContact CD2-CG2 3.99Å; L18-A58 HydrophobicContact CD1-CB 4.17Å; L18-A58 HydrophobicContact CD2-CB 4.34Å; L18-A58 HydrophobicContact CG-CB 3.85Å; L18-L62 HydrophobicContact CD1-CD1 3.76Å
19H88.8Confident86.2Confident156 Ų15659 Ų5972%0.72233%0.325SS*.THydrogen-bonded Turntrans50.741.8-175.2-61-56.5000113.6Y15 D16 I17Y15-H19 PolarHBondContact O-N 3.08Å; D16-H19 PolarHBondContact O-N 2.9Å; D16-H19 VanDerWaalsContact O-N 3.14Å; D16-H19 PolarHBondContact O-ND1 3.16Å; I17-H19 VanDerWaalsContact C-N 3.3Å
20V90.9Very high87.3Confident20 Ų2064.4 Ų64.412%0.12135%0.346CS..  trans-119.4152.6179.4-72.40000110.9Y15 L18 A24 I29 S32Y15-V20 HydrophobicContact CD1-CG2 3.96Å; Y15-V20 PolarHBondContact O-N 3.01Å; L18-V20 HydrophobicContact CB-CG2 3.78Å; L18-V20 PolarHBondContact O-N 2.84Å; V20-A24 HydrophobicContact CB-CB 3.86Å; V20-A24 HydrophobicContact CG1-CB 4.44Å; V20-A24 HydrophobicContact CG2-CB 4.43Å; V20-I29 HydrophobicContact CG2-CG1 4.44Å; V20-S32 WeakPolarHBondContact CG1-OG 3.36Å
21S87.9Confident88.3Confident68 Ų6867 Ų6748%0.47635%0.349SS..  trans-66.3148172179.90000110.3N23 A24S21-N23 PolarHBondContact O-N 2.84Å; S21-N23 PolarHBondContact OG-N 2.69Å; S21-A24 WeakPolarHBondContact O-CB 3.47Å; S21-A24 PolarHBondContact O-N 3.32Å
22P84.9Confident89Confident38 Ų3865.3 Ų65.325%0.24734%0.342CS..THydrogen-bonded Turntrans-56.7-21169.817-28.7000113.9P9 Y15 A24P9-P22 HydrophobicContact CG-CB 3.4Å; P9-P22 VanDerWaalsContact CG-CB 3.4Å; P9-P22 HydrophobicContact CG-CG 4.36Å; Y15-P22 HydrophobicContact CD2-CB 4.16Å; Y15-P22 HydrophobicContact CE2-CB 4.31Å; Y15-P22 HydrophobicContact CG-CB 4.35Å; P22-A24 VanDerWaalsContact C-N 3.34Å
23N84Confident89.3Confident117 Ų11765.4 Ų65.463%0.62634%0.336SS*.THydrogen-bonded Turntrans-88.88.4174-70-37.6000114.2S21S21-N23 PolarHBondContact O-N 2.84Å; S21-N23 PolarHBondContact OG-N 2.69Å
24A86.3Confident89.4Confident3 Ų367.6 Ų67.63%0.02534%0.342CS..  trans-63.1142.2-173.300000113V20 S21 P22 E28 I29 R68V20-A24 HydrophobicContact CB-CB 3.86Å; V20-A24 HydrophobicContact CG1-CB 4.44Å; V20-A24 HydrophobicContact CG2-CB 4.43Å; S21-A24 WeakPolarHBondContact O-CB 3.47Å; S21-A24 PolarHBondContact O-N 3.32Å; P22-A24 VanDerWaalsContact C-N 3.34Å; A24-E28 WeakPolarHBondContact CA-OE2 3.48Å; A24-E28 HydrophobicContact CB-CB 4.15Å; A24-I29 HydrophobicContact CB-CG1 4.14Å; A24-R68 PolarHBondContact O-NH1 3.41Å; A24-R68 PolarHBondContact O-NH2 2.98Å
25S89.1Confident89.6Confident47 Ų4773.8 Ų73.833%0.32937%0.368SS..  trans-73157.7172.8660000111.5M27 E28 I29S25-M27 PolarHBondContact O-N 3.06Å; S25-M27 VanDerWaalsContact O-N 3.13Å; S25-E28 PolarHBondContact N-OE2 2.97Å; S25-E28 WeakPolarHBondContact O-CB 3.47Å; S25-E28 PolarHBondContact O-N 3.22Å; S25-E28 WeakPolarHBondContact OG-CG 3.36Å; S25-E28 PolarHBondContact OG-N 3.32Å; S25-E28 PolarHBondContact OG-OE2 3.16Å; S25-I29 PolarHBondContact O-N 2.76Å; S25-I29 VanDerWaalsContact O-N 3.1Å
26D89.5Confident89.6Confident107 Ų10774.4 Ų74.457%0.57237%0.371SS*.Hα-helixtrans-58.9-29.2178.2-56.5-20000112K30 R68D26-K30 WeakPolarHBondContact O-CB 3.46Å; D26-K30 PolarHBondContact O-N 2.66Å; D26-R68 IonicContact OD1-NH1 2.72Å; D26-R68 PolarHBondContact OD1-NH1 3.41Å
27M87.8Confident89.5Confident141 Ų14171 Ų7170%0.69535%0.354SS*.Hα-helixtrans-68.5-37.5174-69.7-170.9-72.800112.8S25 K31S25-M27 PolarHBondContact O-N 3.06Å; S25-M27 VanDerWaalsContact O-N 3.13Å; M27-K31 WeakPolarHBondContact O-CB 3.22Å; M27-K31 VanDerWaalsContact O-CG 3.29Å; M27-K31 WeakPolarHBondContact O-CG 3.36Å; M27-K31 PolarHBondContact O-N 3.4Å
28E90.6Very high89.3Confident100 Ų10074.4 Ų74.447%0.46737%0.367SS..Hα-helixtrans-70.4-43.2177.6-74.4163.6174.300111.2A24 S25 K30 K31 S32A24-E28 WeakPolarHBondContact CA-OE2 3.48Å; A24-E28 HydrophobicContact CB-CB 4.15Å; S25-E28 PolarHBondContact N-OE2 2.97Å; S25-E28 WeakPolarHBondContact O-CB 3.47Å; S25-E28 PolarHBondContact O-N 3.22Å; S25-E28 WeakPolarHBondContact OG-CG 3.36Å; S25-E28 PolarHBondContact OG-N 3.32Å; S25-E28 PolarHBondContact OG-OE2 3.16Å; E28-K30 VanDerWaalsContact C-N 3.3Å; E28-K30 PolarHBondContact O-N 3.4Å; E28-K31 PolarHBondContact O-N 2.8Å; E28-S32 PolarHBondContact O-N 3.47Å; E28-S32 PolarHBondContact O-OG 3.05Å
29I91.4Very high89.2Confident2 Ų278.9 Ų78.91%0.0139%0.388CS..Hα-helixtrans-58.2-43.9174.3-65.6165.1000110.4L18 V20 A24 S25 S32 Y33 Y59 L62L18-I29 HydrophobicContact CD1-CG2 3.91Å; V20-I29 HydrophobicContact CG2-CG1 4.44Å; A24-I29 HydrophobicContact CB-CG1 4.14Å; S25-I29 PolarHBondContact O-N 2.76Å; S25-I29 VanDerWaalsContact O-N 3.1Å; I29-S32 PolarHBondContact O-OG 3.14Å; I29-S32 VanDerWaalsContact O-OG 3.07Å; I29-Y33 WeakPolarHBondContact O-CB 3.42Å; I29-Y33 PolarHBondContact O-N 3.27Å; I29-Y59 HydrophobicContact CG2-CD2 4.08Å; I29-Y59 HydrophobicContact CG2-CE2 4.42Å; I29-L62 HydrophobicContact CD1-CB 4.32Å; I29-L62 HydrophobicContact CG2-CB 4.08Å
30K90.6Very high89Confident131 Ų13173.3 Ų73.357%0.5736%0.362SS*.Hα-helixtrans-67.3-37.5177.4-169.5175.5-177.5178.70112.9D26 E28 H34 Y59D26-K30 WeakPolarHBondContact O-CB 3.46Å; D26-K30 PolarHBondContact O-N 2.66Å; E28-K30 VanDerWaalsContact C-N 3.3Å; E28-K30 PolarHBondContact O-N 3.4Å; K30-H34 WeakPolarHBondContact O-CB 3.47Å; K30-H34 PolarHBondContact O-N 2.9Å; K30-Y59 HydrophobicContact CB-CE2 4.44Å
31K91.9Very high88.6Confident159 Ų15976.3 Ų76.369%0.69137%0.374SS*.Hα-helixtrans-67.3-44.5176.5-79.7177.6-179.1-177.30111.7M27 E28 H34 K35M27-K31 WeakPolarHBondContact O-CB 3.22Å; M27-K31 VanDerWaalsContact O-CG 3.29Å; M27-K31 WeakPolarHBondContact O-CG 3.36Å; M27-K31 PolarHBondContact O-N 3.4Å; E28-K31 PolarHBondContact O-N 2.8Å; K31-H34 PolarHBondContact O-N 2.74Å; K31-K35 PolarHBondContact O-N 3.41Å; K31-K35 VanDerWaalsContact O-N 3.11Å
32S92.9Very high88.3Confident19 Ų1976.1 Ų76.113%0.13337%0.372CS..Hα-helixtrans-66.6-43.3179.368.80000111.6L18 V20 E28 I29 H34 K35 L36L18-S32 WeakPolarHBondContact O-CB 3.41Å; L18-S32 PolarHBondContact O-OG 2.91Å; V20-S32 WeakPolarHBondContact CG1-OG 3.36Å; E28-S32 PolarHBondContact O-N 3.47Å; E28-S32 PolarHBondContact O-OG 3.05Å; I29-S32 PolarHBondContact O-OG 3.14Å; I29-S32 VanDerWaalsContact O-OG 3.07Å; S32-H34 PolarHBondContact O-N 3.1Å; S32-K35 PolarHBondContact O-N 3.01Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 WeakPolarHBondContact O-CG 3.35Å; S32-L36 PolarHBondContact O-N 2.86Å
33Y92.4Very high88.2Confident61 Ų6180 Ų8024%0.23939%0.391CS..Hα-helixtrans-55.5-49.2172173.7-104.9000111.3I29 K35 L36 S37 I55 Y59I29-Y33 WeakPolarHBondContact O-CB 3.42Å; I29-Y33 PolarHBondContact O-N 3.27Å; Y33-K35 VanDerWaalsContact C-N 3.27Å; Y33-K35 PolarHBondContact O-N 3.26Å; Y33-L36 PolarHBondContact O-N 2.73Å; Y33-S37 WeakPolarHBondContact CD2-OG 3.4Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.23Å; Y33-S37 VanDerWaalsContact CZ-OG 3.26Å; Y33-S37 VanDerWaalsContact O-CB 3.3Å; Y33-S37 WeakPolarHBondContact O-CB 3.42Å; Y33-S37 PolarHBondContact O-N 2.9Å; Y33-S37 PolarHBondContact O-OG 3.48Å; Y33-I55 HydrophobicContact CD2-CG2 3.8Å; Y33-I55 HydrophobicContact CE2-CG2 4.13Å; Y33-Y59 HydrophobicContact CD1-CD1 4.03Å; Y33-Y59 AromaticContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CE1 4.1Å; Y33-Y59 HydrophobicContact CD1-CE2 4.02Å; Y33-Y59 AromaticContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD2-CD1 4.05Å; Y33-Y59 AromaticContact CD2-CD2 3.98Å; Y33-Y59 HydrophobicContact CD2-CD2 3.98Å; Y33-Y59 AromaticContact CD2-CG 3.53Å; Y33-Y59 HydrophobicContact CD2-CG 3.53Å; Y33-Y59 AromaticContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CE1 4.07Å; Y33-Y59 HydrophobicContact CE1-CG 4.33Å; Y33-Y59 AromaticContact CE2-CD1 4Å; Y33-Y59 HydrophobicContact CE2-CD1 4Å; Y33-Y59 AromaticContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CG-CD1 4.06Å; Y33-Y59 AromaticContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CE2 4.04Å; Y33-Y59 AromaticContact CG-CG 3.54Å; Y33-Y59 HydrophobicContact CG-CG 3.54Å; Y33-Y59 AromaticContact CZ-CD1 3.98Å
34H90.1Very high87.9Confident107 Ų10781.6 Ų81.650%0.49539%0.392SS..Hα-helixtrans-60.3-38.5-179.5-1683.3000112.8K30 K31 S32 K38K30-H34 WeakPolarHBondContact O-CB 3.47Å; K30-H34 PolarHBondContact O-N 2.9Å; K31-H34 PolarHBondContact O-N 2.74Å; S32-H34 PolarHBondContact O-N 3.1Å; H34-K38 WeakPolarHBondContact CE1-CE 3.4Å; H34-K38 PolarHBondContact CE1-NZ 2.83Å; H34-K38 PolarHBondContact O-N 2.91Å
35K91.7Very high87.3Confident136 Ų13684.5 Ų84.559%0.59141%0.407SS*.Hα-helixtrans-65.7-52.7176.7-171.9-178.4177-1720111K31 S32 Y33 S37 K38 E39K31-K35 PolarHBondContact O-N 3.41Å; K31-K35 VanDerWaalsContact O-N 3.11Å; S32-K35 PolarHBondContact O-N 3.01Å; Y33-K35 VanDerWaalsContact C-N 3.27Å; Y33-K35 PolarHBondContact O-N 3.26Å; K35-S37 PolarHBondContact O-N 3.15Å; K35-K38 PolarHBondContact O-N 3.2Å; K35-E39 VanDerWaalsContact CE-OE1 3.24Å; K35-E39 WeakPolarHBondContact CE-OE1 3.35Å; K35-E39 WeakPolarHBondContact O-CG 3.39Å; K35-E39 PolarHBondContact O-N 3.42Å
36L90.6Very high86.5Confident12 Ų1287.3 Ų87.36%0.06342%0.424CS..Hα-helixtrans-65.9-38.5-178-69.5171.3000112.5L18 S32 Y33 K38 E39 F40 I55L18-L36 HydrophobicContact CD2-CD1 4.17Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 WeakPolarHBondContact O-CG 3.35Å; S32-L36 PolarHBondContact O-N 2.86Å; Y33-L36 PolarHBondContact O-N 2.73Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.49Å; L36-E39 PolarHBondContact O-N 2.88Å; L36-F40 HydrophobicContact CD2-CD2 4.24Å; L36-F40 HydrophobicContact CD2-CE2 3.91Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; L36-F40 PolarHBondContact O-N 2.65Å; L36-I55 HydrophobicContact CB-CD1 3.87Å; L36-I55 HydrophobicContact CB-CG1 4.34Å; L36-I55 HydrophobicContact CB-CG2 4.05Å; L36-I55 HydrophobicContact CD1-CG1 4.41Å
37S87.9Confident85.8Confident15 Ų1590.1 Ų90.111%0.10543%0.434CS..Hα-helixtrans-64.9-28.4175.9-61.40000113.2Y33 K35 H41Y33-S37 WeakPolarHBondContact CD2-OG 3.4Å; Y33-S37 WeakPolarHBondContact CE2-OG 3.23Å; Y33-S37 VanDerWaalsContact CZ-OG 3.26Å; Y33-S37 VanDerWaalsContact O-CB 3.3Å; Y33-S37 WeakPolarHBondContact O-CB 3.42Å; Y33-S37 PolarHBondContact O-N 2.9Å; Y33-S37 PolarHBondContact O-OG 3.48Å; K35-S37 PolarHBondContact O-N 3.15Å; S37-H41 WeakPolarHBondContact O-CB 3.33Å; S37-H41 PolarHBondContact O-N 3.48Å
38K87Confident85Confident123 Ų12386.7 Ų86.754%0.53542%0.416SS..Hα-helixtrans-75-35.8173.6-82.7177.5171164.50112.2H34 K35 L36H34-K38 WeakPolarHBondContact CE1-CE 3.4Å; H34-K38 PolarHBondContact CE1-NZ 2.83Å; H34-K38 PolarHBondContact O-N 2.91Å; K35-K38 PolarHBondContact O-N 3.2Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 3.49Å
39E86.2Confident84.3Confident94 Ų9483.1 Ų83.144%0.43941%0.406SS..Hα-helixtrans-76.6-40.3-178.6-70173.5-170.800112.1K35 L36K35-E39 VanDerWaalsContact CE-OE1 3.24Å; K35-E39 WeakPolarHBondContact CE-OE1 3.35Å; K35-E39 WeakPolarHBondContact O-CG 3.39Å; K35-E39 PolarHBondContact O-N 3.42Å; L36-E39 PolarHBondContact O-N 2.88Å
40F85.5Confident83.8Confident40 Ų4090.1 Ų90.118%0.17544%0.439CS..SBendtrans-10316.8-177-65.6-75.3000113.8L36 H48 K51 F52 I55L36-F40 HydrophobicContact CD2-CD2 4.24Å; L36-F40 HydrophobicContact CD2-CE2 3.91Å; L36-F40 WeakPolarHBondContact O-CD2 3.46Å; L36-F40 PolarHBondContact O-N 2.65Å; F40-H48 HydrophobicContact CD1-CB 3.8Å; F40-H48 HydrophobicContact CE1-CB 4.2Å; F40-K51 HydrophobicContact CD1-CB 4.06Å; F40-K51 HydrophobicContact CD1-CD 4.12Å; F40-K51 HydrophobicContact CE1-CB 4.36Å; F40-K51 HydrophobicContact CE1-CD 3.6Å; F40-K51 HydrophobicContact CG-CB 4.44Å; F40-K51 HydrophobicContact CZ-CD 4.15Å; F40-F52 HydrophobicContact CB-CB 4.4Å; F40-F52 HydrophobicContact CB-CD2 4.43Å; F40-F52 WeakPolarHBondContact O-CB 3.35Å; F40-F52 WeakPolarHBondContact O-CD2 3.34Å; F40-I55 HydrophobicContact CB-CD1 4.06Å; F40-I55 HydrophobicContact CD2-CD1 3.52Å; F40-I55 HydrophobicContact CE2-CD1 4.26Å; F40-I55 HydrophobicContact CG-CD1 3.96Å
41H83.2Confident83.4Confident82 Ų8288.4 Ų88.438%0.3843%0.431SS..  trans-59.3132.5178.6-163.4-94.4000110.3S37 D43 K44 N45S37-H41 WeakPolarHBondContact O-CB 3.33Å; S37-H41 PolarHBondContact O-N 3.48Å; H41-D43 WeakPolarHBondContact ND1-CB 3.28Å; H41-D43 PolarHBondContact ND1-N 3.1Å; H41-D43 PolarHBondContact O-N 3.25Å; H41-K44 PolarHBondContact O-N 3.01Å; H41-N45 PolarHBondContact O-N 3.09Å
42P80.5Confident83.1Confident64 Ų6483.2 Ų83.242%0.41641%0.409SS..THydrogen-bonded Turntrans-59.3-25-176.522.4-34.1000113.5
43D83.7Confident82.7Confident121 Ų12186.7 Ų86.765%0.64742%0.421SS*.THydrogen-bonded Turntrans-70.2-34.7174.5-165.247.2000113.3H41H41-D43 WeakPolarHBondContact ND1-CB 3.28Å; H41-D43 PolarHBondContact ND1-N 3.1Å; H41-D43 PolarHBondContact O-N 3.25Å
44K77.5Confident82.5Confident150 Ų15088.7 Ų88.765%0.65243%0.433SS*.THydrogen-bonded Turntrans-93.7-30.5-177-67.7-173.8178.5-174.40112.8H41H41-K44 PolarHBondContact O-N 3.01Å
45N72.3Confident82.5Confident63 Ų6383.9 Ų83.934%0.33741%0.411SS..  trans-142.674.7-173.2-130.9-19000111.6H41 Q47 H48H41-N45 PolarHBondContact O-N 3.09Å; N45-Q47 PolarHBondContact O-N 2.81Å; N45-Q47 VanDerWaalsContact O-N 3.1Å; N45-H48 PolarHBondContact O-N 3.07Å
46P72.8Confident82.4Confident106 Ų10679 Ų7969%0.68839%0.394SS*.G310 helixtrans-63.2-18.6-174.721.6-31.5000114.1H48P46-H48 VanDerWaalsContact C-N 3.31Å; P46-H48 PolarHBondContact O-N 3.04Å
47Q74.3Confident82.3Confident167 Ų16783.3 Ų83.378%0.7841%0.413SS*.G310 helixtrans-76.7-13.6-179.9-60.5-178.416.400113.9N45N45-Q47 PolarHBondContact O-N 2.81Å; N45-Q47 VanDerWaalsContact O-N 3.1Å
48H72.2Confident82.5Confident68 Ų6882.6 Ų82.632%0.31541%0.408SS..G310 helixtrans-120.128.5-176.6-67-42.5000113.2F40 N45 P46 E50 K51 F52F40-H48 HydrophobicContact CD1-CB 3.8Å; F40-H48 HydrophobicContact CE1-CB 4.2Å; N45-H48 PolarHBondContact O-N 3.07Å; P46-H48 VanDerWaalsContact C-N 3.31Å; P46-H48 PolarHBondContact O-N 3.04Å; H48-E50 PolarHBondContact O-N 3.36Å; H48-E50 VanDerWaalsContact O-N 3.13Å; H48-K51 HydrophobicContact CB-CD 4.3Å; H48-K51 PolarHBondContact O-N 2.8Å; H48-F52 PolarHBondContact O-N 2.98Å
49G75.1Confident82.7Confident26 Ų2679.5 Ų79.527%0.26839%0.393SS..Hα-helixtrans-54.8-31.4177.800000113.7F52 K53G49-F52 PolarHBondContact O-N 2.79Å; G49-K53 WeakPolarHBondContact O-CG 3.46Å; G49-K53 PolarHBondContact O-N 3.08Å
50E80.5Confident82.9Confident148 Ų14880.2 Ų80.269%0.69240%0.396SS*.Hα-helixtrans-64.9-42.3176.3-65.1-176.1162.100112.7H48 F52 K53 E54H48-E50 PolarHBondContact O-N 3.36Å; H48-E50 VanDerWaalsContact O-N 3.13Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 3.44Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 2.97Å; E50-E54 PolarHBondContact O-N 3.38Å; E50-E54 VanDerWaalsContact O-N 3.15Å
51K82.4Confident83.2Confident96 Ų9678.7 Ų78.742%0.41739%0.39SS..Hα-helixtrans-62.3-36.9176.6-66.2-175.5176.7179.30111.7F40 H48 K53 E54 I55F40-K51 HydrophobicContact CD1-CB 4.06Å; F40-K51 HydrophobicContact CD1-CD 4.12Å; F40-K51 HydrophobicContact CE1-CB 4.36Å; F40-K51 HydrophobicContact CE1-CD 3.6Å; F40-K51 HydrophobicContact CG-CB 4.44Å; F40-K51 HydrophobicContact CZ-CD 4.15Å; H48-K51 HydrophobicContact CB-CD 4.3Å; H48-K51 PolarHBondContact O-N 2.8Å; K51-K53 VanDerWaalsContact C-N 3.27Å; K51-K53 PolarHBondContact O-N 2.82Å; K51-E54 PolarHBondContact O-N 3.25Å; K51-I55 WeakPolarHBondContact O-CD1 3.44Å; K51-I55 VanDerWaalsContact O-CG1 3.23Å; K51-I55 WeakPolarHBondContact O-CG1 3.29Å; K51-I55 PolarHBondContact O-N 2.77Å
52F86.7Confident83.5Confident49 Ų4974.8 Ų74.822%0.21537%0.372CS..Hα-helixtrans-63.1-35.1175.5-173.7-96.4000112.4F40 H48 G49 E50 S56F40-F52 HydrophobicContact CB-CB 4.4Å; F40-F52 HydrophobicContact CB-CD2 4.43Å; F40-F52 WeakPolarHBondContact O-CB 3.35Å; F40-F52 WeakPolarHBondContact O-CD2 3.34Å; H48-F52 PolarHBondContact O-N 2.98Å; G49-F52 PolarHBondContact O-N 2.79Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 3.44Å; F52-S56 WeakPolarHBondContact O-CB 3.18Å; F52-S56 PolarHBondContact O-N 3Å; F52-S56 PolarHBondContact O-OG 3.24Å
53K84.6Confident83.8Confident92 Ų9274 Ų7440%0.437%0.368SS..Hα-helixtrans-65.2-46175.3-60.3173-164.4-175.30110.8G49 E50 K51 S56 F57 F98G49-K53 WeakPolarHBondContact O-CG 3.46Å; G49-K53 PolarHBondContact O-N 3.08Å; E50-K53 WeakPolarHBondContact O-CB 3.47Å; E50-K53 PolarHBondContact O-N 2.97Å; K51-K53 VanDerWaalsContact C-N 3.27Å; K51-K53 PolarHBondContact O-N 2.82Å; K53-S56 PolarHBondContact O-N 3.07Å; K53-F57 WeakPolarHBondContact O-CB 3.27Å; K53-F57 PolarHBondContact O-N 2.91Å; K53-F98 HydrophobicContact CD-CD1 4.01Å; K53-F98 HydrophobicContact CD-CE1 3.48Å; K53-F98 VanDerWaalsContact CD-CE1 3.48Å; K53-F98 HydrophobicContact CD-CZ 3.95Å; K53-F98 HydrophobicContact CG-CE1 3.98Å; K53-F98 HydrophobicContact CG-CZ 4.17Å
54E88.1Confident84.1Confident103 Ų10371.4 Ų71.448%0.48135%0.354SS..Hα-helixtrans-61.3-45.4177.3-67.1175.1-179.500112I17 E50 K51 S56 F57 A58I17-E54 HydrophobicContact CD1-CB 4.42Å; I17-E54 HydrophobicContact CG2-CB 4.22Å; E50-E54 PolarHBondContact O-N 3.38Å; E50-E54 VanDerWaalsContact O-N 3.15Å; K51-E54 PolarHBondContact O-N 3.25Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.44Å; E54-F57 PolarHBondContact O-N 2.9Å; E54-A58 WeakPolarHBondContact O-CB 3.22Å; E54-A58 PolarHBondContact O-N 3.21Å
55I90.2Very high84.6Confident6 Ų669 Ų693%0.03135%0.354CS..Hα-helixtrans-60.6-42.4177.1-69.4158.3000111.2I17 L18 Y33 L36 F40 K51 Y59I17-I55 HydrophobicContact CG2-CG1 4.16Å; L18-I55 HydrophobicContact CD2-CG2 3.99Å; Y33-I55 HydrophobicContact CD2-CG2 3.8Å; Y33-I55 HydrophobicContact CE2-CG2 4.13Å; L36-I55 HydrophobicContact CB-CD1 3.87Å; L36-I55 HydrophobicContact CB-CG1 4.34Å; L36-I55 HydrophobicContact CB-CG2 4.05Å; L36-I55 HydrophobicContact CD1-CG1 4.41Å; F40-I55 HydrophobicContact CB-CD1 4.06Å; F40-I55 HydrophobicContact CD2-CD1 3.52Å; F40-I55 HydrophobicContact CE2-CD1 4.26Å; F40-I55 HydrophobicContact CG-CD1 3.96Å; K51-I55 WeakPolarHBondContact O-CD1 3.44Å; K51-I55 VanDerWaalsContact O-CG1 3.23Å; K51-I55 WeakPolarHBondContact O-CG1 3.29Å; K51-I55 PolarHBondContact O-N 2.77Å; I55-Y59 PolarHBondContact O-N 3.31Å
56S88.5Confident85.2Confident35 Ų3573.7 Ų73.725%0.24537%0.374CS..Hα-helixtrans-67.7-42.1180-59.60000111.5F52 K53 E54 Y59 E60F52-S56 WeakPolarHBondContact O-CB 3.18Å; F52-S56 PolarHBondContact O-N 3Å; F52-S56 PolarHBondContact O-OG 3.24Å; K53-S56 PolarHBondContact O-N 3.07Å; E54-S56 VanDerWaalsContact C-N 3.32Å; E54-S56 PolarHBondContact O-N 3.44Å; S56-Y59 PolarHBondContact O-N 3.45Å; S56-E60 PolarHBondContact O-N 2.88Å
57F89.7Confident85.9Confident102 Ų10271.9 Ų71.945%0.44736%0.355SS..Hα-helixtrans-63.2-45.5175.7-178.5-104000111.9L14 K53 E54 Y59 E60 V61L14-F57 HydrophobicContact CD2-CD1 4.03Å; L14-F57 HydrophobicContact CD2-CE1 4.09Å; K53-F57 WeakPolarHBondContact O-CB 3.27Å; K53-F57 PolarHBondContact O-N 2.91Å; E54-F57 PolarHBondContact O-N 2.9Å; F57-Y59 VanDerWaalsContact C-N 3.33Å; F57-Y59 PolarHBondContact O-N 2.96Å; F57-E60 PolarHBondContact O-N 2.93Å; F57-V61 HydrophobicContact CE1-CG2 4.32Å; F57-V61 HydrophobicContact CE2-CG2 4.37Å; F57-V61 HydrophobicContact CZ-CG2 4.14Å; F57-V61 WeakPolarHBondContact O-CG2 3.37Å; F57-V61 PolarHBondContact O-N 3.11Å; F57-V61 VanDerWaalsContact O-N 3.17Å
58A91.3Very high86.6Confident0 Ų065.6 Ų65.60%032%0.324CS..Hα-helixtrans-60.5-42.3177.300000112.1L14 I17 L18 E54 L62L14-A58 HydrophobicContact CB-CB 4.25Å; L14-A58 HydrophobicContact CD2-CB 4.1Å; I17-A58 HydrophobicContact CB-CB 4.27Å; I17-A58 HydrophobicContact CG2-CB 4.01Å; L18-A58 HydrophobicContact CD1-CB 4.17Å; L18-A58 HydrophobicContact CD2-CB 4.34Å; L18-A58 HydrophobicContact CG-CB 3.85Å; E54-A58 WeakPolarHBondContact O-CB 3.22Å; E54-A58 PolarHBondContact O-N 3.21Å; A58-L62 VanDerWaalsContact O-CB 3.3Å; A58-L62 WeakPolarHBondContact O-CB 3.37Å; A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.36Å; A58-L62 PolarHBondContact O-N 3.13Å
59Y91.5Very high87.2Confident58 Ų5864.8 Ų64.823%0.22733%0.326CS..Hα-helixtrans-67.6-38.7177-179.7-104000112.8I29 K30 Y33 I55 S56 F57 V61 L62 S63I29-Y59 HydrophobicContact CG2-CD2 4.08Å; I29-Y59 HydrophobicContact CG2-CE2 4.42Å; K30-Y59 HydrophobicContact CB-CE2 4.44Å; Y33-Y59 HydrophobicContact CD1-CD1 4.03Å; Y33-Y59 AromaticContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CD2 3.96Å; Y33-Y59 HydrophobicContact CD1-CE1 4.1Å; Y33-Y59 HydrophobicContact CD1-CE2 4.02Å; Y33-Y59 AromaticContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD1-CG 3.96Å; Y33-Y59 HydrophobicContact CD2-CD1 4.05Å; Y33-Y59 AromaticContact CD2-CD2 3.98Å; Y33-Y59 HydrophobicContact CD2-CD2 3.98Å; Y33-Y59 AromaticContact CD2-CG 3.53Å; Y33-Y59 HydrophobicContact CD2-CG 3.53Å; Y33-Y59 AromaticContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CD1 3.99Å; Y33-Y59 HydrophobicContact CE1-CE1 4.07Å; Y33-Y59 HydrophobicContact CE1-CG 4.33Å; Y33-Y59 AromaticContact CE2-CD1 4Å; Y33-Y59 HydrophobicContact CE2-CD1 4Å; Y33-Y59 AromaticContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CE2-CG 3.92Å; Y33-Y59 HydrophobicContact CG-CD1 4.06Å; Y33-Y59 AromaticContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CD2 3.53Å; Y33-Y59 HydrophobicContact CG-CE2 4.04Å; Y33-Y59 AromaticContact CG-CG 3.54Å; Y33-Y59 HydrophobicContact CG-CG 3.54Å; Y33-Y59 AromaticContact CZ-CD1 3.98Å; I55-Y59 PolarHBondContact O-N 3.31Å; S56-Y59 PolarHBondContact O-N 3.45Å; F57-Y59 VanDerWaalsContact C-N 3.33Å; F57-Y59 PolarHBondContact O-N 2.96Å; Y59-V61 VanDerWaalsContact C-N 3.33Å; Y59-V61 PolarHBondContact O-N 3.47Å; Y59-L62 PolarHBondContact O-N 3.45Å; Y59-S63 WeakPolarHBondContact O-CB 3.44Å; Y59-S63 PolarHBondContact O-N 3.43Å; Y59-S63 PolarHBondContact O-OG 2.81Å
60E91.2Very high87.6Confident109 Ų10966 Ų6651%0.50933%0.326SS..Hα-helixtrans-61.2-42.2177.7-168.1-173.4157.800111.9S56 F57 S63 K67S56-E60 PolarHBondContact O-N 2.88Å; F57-E60 PolarHBondContact O-N 2.93Å; E60-S63 PolarHBondContact O-OG 3.02Å; E60-K67 IonicContact OE1-NZ 3.3Å; E60-K67 PolarHBondContact OE1-NZ 3.13Å
61V90.5Very high87.9Confident7 Ų759 Ų594%0.04229%0.293CS..Hα-helixtrans-72.1-42.7178.5176.50000111.7L14 F57 Y59 K67 R68 Y71 L79L14-V61 HydrophobicContact CD1-CB 3.79Å; L14-V61 HydrophobicContact CD1-CG1 3.59Å; L14-V61 HydrophobicContact CD1-CG2 4.18Å; F57-V61 HydrophobicContact CE1-CG2 4.32Å; F57-V61 HydrophobicContact CE2-CG2 4.37Å; F57-V61 HydrophobicContact CZ-CG2 4.14Å; F57-V61 WeakPolarHBondContact O-CG2 3.37Å; F57-V61 PolarHBondContact O-N 3.11Å; F57-V61 VanDerWaalsContact O-N 3.17Å; Y59-V61 VanDerWaalsContact C-N 3.33Å; Y59-V61 PolarHBondContact O-N 3.47Å; V61-K67 HydrophobicContact CG1-CB 4.36Å; V61-K67 WeakPolarHBondContact O-CB 3.21Å; V61-R68 PolarHBondContact O-N 2.89Å; V61-Y71 HydrophobicContact CG1-CG 4.26Å; V61-L79 HydrophobicContact CG1-CD1 3.82Å; V61-L79 HydrophobicContact CG1-CD2 4.01Å; V61-L79 HydrophobicContact CG2-CD1 4.06Å; V61-L79 HydrophobicContact CG2-CD2 4.48Å
62L89.9Confident88.2Confident1 Ų156.6 Ų56.61%0.00529%0.285CS..Hα-helixtrans-83.1-16.6-173.6-67.6175.4000114.1L14 Y15 L18 I29 A58 Y59 R68 Y71L14-L62 HydrophobicContact CB-CD1 4Å; L14-L62 HydrophobicContact CB-CG 4.33Å; Y15-L62 HydrophobicContact CD1-CD1 3.99Å; Y15-L62 HydrophobicContact CD1-CD2 4.28Å; Y15-L62 HydrophobicContact CE1-CD1 4.13Å; Y15-L62 HydrophobicContact CE1-CD2 3.66Å; Y15-L62 HydrophobicContact CE2-CD2 4.07Å; Y15-L62 HydrophobicContact CG-CD1 4.45Å; L18-L62 HydrophobicContact CD1-CD1 3.76Å; I29-L62 HydrophobicContact CD1-CB 4.32Å; I29-L62 HydrophobicContact CG2-CB 4.08Å; A58-L62 VanDerWaalsContact O-CB 3.3Å; A58-L62 WeakPolarHBondContact O-CB 3.37Å; A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.36Å; A58-L62 PolarHBondContact O-N 3.13Å; Y59-L62 PolarHBondContact O-N 3.45Å; L62-R68 HydrophobicContact CD2-CG 4.09Å; L62-Y71 HydrophobicContact CD2-CD1 4.18Å
63S87.8Confident88Confident46 Ų4663.7 Ų63.732%0.32231%0.311SS..Hα-helixtrans-80.5-30.5178.260.10000113.6Y59 E60Y59-S63 WeakPolarHBondContact O-CB 3.44Å; Y59-S63 PolarHBondContact O-N 3.43Å; Y59-S63 PolarHBondContact O-OG 2.81Å; E60-S63 PolarHBondContact O-OG 3.02Å
64D88Confident87.7Confident67 Ų6766.3 Ų66.336%0.35832%0.318SS..SBendtrans-87120.3176.3-72.7-33.8000109.9E66 K67 R68D64-E66 PolarHBondContact O-N 3.39Å; D64-K67 HydrophobicContact CB-CB 4Å; D64-K67 HydrophobicContact CB-CD 3.96Å; D64-K67 HydrophobicContact CB-CG 3.95Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-K67 WeakPolarHBondContact OD2-CD 3.38Å; D64-K67 VanDerWaalsContact OD2-CE 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.27Å; D64-K67 IonicContact OD2-NZ 3.41Å; D64-K67 PolarHBondContact OD2-NZ 2.8Å; D64-R68 WeakPolarHBondContact O-CB 3.29Å; D64-R68 PolarHBondContact O-N 2.79Å
65P88.3Confident87.3Confident100 Ų10061.4 Ų61.465%0.64930%0.295SS*.Hα-helixtrans-62-31-175.523.8-33.5000112.8S69P65-S69 WeakPolarHBondContact O-CB 3.26Å; P65-S69 PolarHBondContact O-N 3.2Å
66E86Confident86.6Confident161 Ų16163.5 Ų63.575%0.75231%0.308SS*.Hα-helixtrans-69.1-50176.3-65.2-176.1176.700111.6D64 S69 L70D64-E66 PolarHBondContact O-N 3.39Å; E66-S69 PolarHBondContact O-N 3.18Å; E66-S69 PolarHBondContact O-OG 3.43Å; E66-L70 PolarHBondContact O-N 2.96Å
67K86.7Confident85.6Confident69 Ų6968.7 Ų68.730%0.333%0.328SS..Hα-helixtrans-64.5-40.6178.3-66.3-178-175156.50111.7E60 V61 D64 S69 L70 Y71E60-K67 IonicContact OE1-NZ 3.3Å; E60-K67 PolarHBondContact OE1-NZ 3.13Å; V61-K67 HydrophobicContact CG1-CB 4.36Å; V61-K67 WeakPolarHBondContact O-CB 3.21Å; D64-K67 HydrophobicContact CB-CB 4Å; D64-K67 HydrophobicContact CB-CD 3.96Å; D64-K67 HydrophobicContact CB-CG 3.95Å; D64-K67 PolarHBondContact O-N 3.32Å; D64-K67 WeakPolarHBondContact OD2-CD 3.38Å; D64-K67 VanDerWaalsContact OD2-CE 3.26Å; D64-K67 WeakPolarHBondContact OD2-CE 3.27Å; D64-K67 IonicContact OD2-NZ 3.41Å; D64-K67 PolarHBondContact OD2-NZ 2.8Å; K67-S69 VanDerWaalsContact C-N 3.35Å; K67-S69 PolarHBondContact O-N 2.95Å; K67-L70 WeakPolarHBondContact O-CB 3.46Å; K67-L70 PolarHBondContact O-N 2.78Å; K67-Y71 WeakPolarHBondContact O-CB 3.47Å; K67-Y71 PolarHBondContact O-N 2.73Å
68R88.4Confident84.4Confident35 Ų3563.9 Ų63.913%0.13231%0.308CS..Hα-helixtrans-58-46.9173.6-176.3176.3179.4177.73.7111.2Y15 A24 D26 V61 L62 D64 L70 Y71 D72Y15-R68 PolarHBondContact OH-NE 3.28Å; Y15-R68 VanDerWaalsContact OH-NE 3.13Å; A24-R68 PolarHBondContact O-NH1 3.41Å; A24-R68 PolarHBondContact O-NH2 2.98Å; D26-R68 IonicContact OD1-NH1 2.72Å; D26-R68 PolarHBondContact OD1-NH1 3.41Å; V61-R68 PolarHBondContact O-N 2.89Å; L62-R68 HydrophobicContact CD2-CG 4.09Å; D64-R68 WeakPolarHBondContact O-CB 3.29Å; D64-R68 PolarHBondContact O-N 2.79Å; R68-L70 VanDerWaalsContact C-N 3.29Å; R68-L70 PolarHBondContact O-N 2.89Å; R68-Y71 PolarHBondContact O-N 2.66Å; R68-D72 WeakPolarHBondContact O-CB 3.4Å; R68-D72 PolarHBondContact O-N 3.17Å
69S85Confident83.2Confident51 Ų5166 Ų6636%0.35732%0.319SS..Hα-helixtrans-64.7-32.4178.279.90000113.4P65 E66 K67 R73P65-S69 WeakPolarHBondContact O-CB 3.26Å; P65-S69 PolarHBondContact O-N 3.2Å; E66-S69 PolarHBondContact O-N 3.18Å; E66-S69 PolarHBondContact O-OG 3.43Å; K67-S69 VanDerWaalsContact C-N 3.35Å; K67-S69 PolarHBondContact O-N 2.95Å; S69-R73 WeakPolarHBondContact O-CB 3.42Å; S69-R73 VanDerWaalsContact O-CG 3.23Å; S69-R73 WeakPolarHBondContact O-CG 3.31Å; S69-R73 PolarHBondContact O-N 3.17Å
70L85.1Confident81.8Confident51 Ų5171 Ų7127%0.26734%0.342SS..Hα-helixtrans-70.8-45.1176-175.567000110.9E66 K67 R68 R73 R74 L79E66-L70 PolarHBondContact O-N 2.96Å; K67-L70 WeakPolarHBondContact O-CB 3.46Å; K67-L70 PolarHBondContact O-N 2.78Å; R68-L70 VanDerWaalsContact C-N 3.29Å; R68-L70 PolarHBondContact O-N 2.89Å; L70-R73 PolarHBondContact O-N 3.21Å; L70-R74 PolarHBondContact O-N 3.2Å; L70-L79 HydrophobicContact CD2-CD2 4.33Å
71Y86.5Confident80Confident0 Ų072.3 Ų72.30%035%0.348CS..Hα-helixtrans-60.7-48175.6176-108.3000111.8D11 T13 L14 Y15 V61 L62 K67 R68 R73 R74 G75 V76 L79D11-Y71 HydrophobicContact CB-CE2 4.15Å; D11-Y71 PolarHBondContact O-OH 3.46Å; T13-Y71 PolarHBondContact N-OH 2.89Å; T13-Y71 VanDerWaalsContact N-OH 3.12Å; T13-Y71 PolarHBondContact OG1-OH 2.72Å; L14-Y71 HydrophobicContact CB-CE1 3.89Å; L14-Y71 HydrophobicContact CB-CE2 4.4Å; L14-Y71 HydrophobicContact CD1-CD1 4.07Å; L14-Y71 HydrophobicContact CD1-CD2 3.63Å; L14-Y71 HydrophobicContact CD1-CE1 3.93Å; L14-Y71 HydrophobicContact CD1-CE2 3.5Å; L14-Y71 VanDerWaalsContact CD1-CE2 3.5Å; L14-Y71 HydrophobicContact CD1-CG 3.91Å; L14-Y71 HydrophobicContact CG-CD2 4.31Å; L14-Y71 HydrophobicContact CG-CE1 4.04Å; L14-Y71 HydrophobicContact CG-CE2 3.65Å; L14-Y71 VanDerWaalsContact CG-CZ 3.48Å; L14-Y71 PolarHBondContact N-OH 3.41Å; Y15-Y71 AromaticContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CD2-CE1 3.91Å; Y15-Y71 HydrophobicContact CE2-CD1 4.08Å; Y15-Y71 AromaticContact CE2-CE1 3.69Å; Y15-Y71 HydrophobicContact CE2-CE1 3.69Å; V61-Y71 HydrophobicContact CG1-CG 4.26Å; L62-Y71 HydrophobicContact CD2-CD1 4.18Å; K67-Y71 WeakPolarHBondContact O-CB 3.47Å; K67-Y71 PolarHBondContact O-N 2.73Å; R68-Y71 PolarHBondContact O-N 2.66Å; Y71-R73 PolarHBondContact O-N 3.4Å; Y71-R73 VanDerWaalsContact O-N 3.15Å; Y71-R74 PolarHBondContact O-N 2.77Å; Y71-G75 VanDerWaalsContact O-CA 3.32Å; Y71-G75 WeakPolarHBondContact O-CA 3.41Å; Y71-G75 PolarHBondContact O-N 2.83Å; Y71-V76 HydrophobicContact CE2-CG2 3.74Å; Y71-L79 HydrophobicContact CD2-CD1 3.77Å; Y71-L79 HydrophobicContact CG-CD1 4.43Å
72D87.2Confident77.9Confident47 Ų4774.3 Ų74.325%0.25137%0.37SS..Hα-helixtrans-60.3-29.4179.4-67.8-22.6000112.3P9 V10 Y15 R68P9-D72 HydrophobicContact CB-CB 4.23Å; V10-D72 PolarHBondContact N-O 3.27Å; Y15-D72 WeakPolarHBondContact CE2-OD1 3.4Å; Y15-D72 PolarHBondContact OH-OD1 3.45Å; Y15-D72 PolarHBondContact OH-OD2 2.93Å; R68-D72 WeakPolarHBondContact O-CB 3.4Å; R68-D72 PolarHBondContact O-N 3.17Å
73R83.2Confident75.7Confident197 Ų19777.5 Ų77.574%0.74339%0.387SS*.Hα-helixtrans-87.7-37.1-178.8-74.3177.2-174.9-171.94114.9S69 L70 Y71S69-R73 WeakPolarHBondContact O-CB 3.42Å; S69-R73 VanDerWaalsContact O-CG 3.23Å; S69-R73 WeakPolarHBondContact O-CG 3.31Å; S69-R73 PolarHBondContact O-N 3.17Å; L70-R73 PolarHBondContact O-N 3.21Å; Y71-R73 PolarHBondContact O-N 3.4Å; Y71-R73 VanDerWaalsContact O-N 3.15Å
74R77.5Confident73.2Confident148 Ų14885 Ų8556%0.55842%0.417SS*.Hα-helixtrans-126.62.8-167.4-69.5-174.3-179.9176.2-1.3113.7L70 Y71 G78L70-R74 PolarHBondContact O-N 3.2Å; Y71-R74 PolarHBondContact O-N 2.77Å; R74-G78 VanDerWaalsContact CB-CA 3.44Å; R74-G78 PolarHBondContact O-N 3.17Å; R74-G78 VanDerWaalsContact O-N 3.13Å
75G80.7Confident70.5Confident0 Ų085.6 Ų85.60%044%0.439CS..Hα-helixtrans66.8-165.4-178.900000113.6D11 Y71 E77 G78D11-G75 WeakPolarHBondContact OD2-CA 3.4Å; Y71-G75 VanDerWaalsContact O-CA 3.32Å; Y71-G75 WeakPolarHBondContact O-CA 3.41Å; Y71-G75 PolarHBondContact O-N 2.83Å; G75-E77 PolarHBondContact O-N 3.05Å; G75-G78 PolarHBondContact O-N 3.18Å
76V75.1Confident67.8Low49 Ų4983.5 Ų83.530%0.29743%0.431SS..Hα-helixtrans-62.5-31.9178.7-176.70000111.2D11 T13 Y71 G78 L79D11-V76 PolarHBondContact OD2-N 3.04Å; T13-V76 WeakPolarHBondContact OG1-CG2 3.27Å; Y71-V76 HydrophobicContact CE2-CG2 3.74Å; V76-G78 VanDerWaalsContact C-N 3.32Å; V76-G78 PolarHBondContact O-N 3.07Å; V76-L79 PolarHBondContact O-N 3.46Å
77E68.6Low65Low144 Ų14479.4 Ų79.467%0.67343%0.432SS*.Hα-helixtrans-67.1-32.5178.1-62.4-172.4165.500112.5G75 L79 K80 Q81G75-E77 PolarHBondContact O-N 3.05Å; E77-L79 VanDerWaalsContact C-N 3.26Å; E77-L79 PolarHBondContact O-N 2.86Å; E77-K80 WeakPolarHBondContact O-CB 3.46Å; E77-K80 PolarHBondContact O-N 2.78Å; E77-Q81 PolarHBondContact O-N 2.93Å
78G64.5Low62.6Low2 Ų282.3 Ų82.32%0.02145%0.448CS..Hα-helixtrans-63.3-29.4176.400000114.8R74 G75 V76 K80 G82R74-G78 VanDerWaalsContact CB-CA 3.44Å; R74-G78 PolarHBondContact O-N 3.17Å; R74-G78 VanDerWaalsContact O-N 3.13Å; G75-G78 PolarHBondContact O-N 3.18Å; V76-G78 VanDerWaalsContact C-N 3.32Å; V76-G78 PolarHBondContact O-N 3.07Å; G78-K80 VanDerWaalsContact C-N 3.3Å; G78-G82 PolarHBondContact O-N 3.03Å
79L65.1Low60.1Low45 Ų4589 Ų8924%0.23648%0.478CS..Hα-helixtrans-73-25.6175.2-66.3161.9000111.5L14 V61 L70 Y71 V76 E77L14-L79 HydrophobicContact CD1-CD1 4.39Å; V61-L79 HydrophobicContact CG1-CD1 3.82Å; V61-L79 HydrophobicContact CG1-CD2 4.01Å; V61-L79 HydrophobicContact CG2-CD1 4.06Å; V61-L79 HydrophobicContact CG2-CD2 4.48Å; L70-L79 HydrophobicContact CD2-CD2 4.33Å; Y71-L79 HydrophobicContact CD2-CD1 3.77Å; Y71-L79 HydrophobicContact CG-CD1 4.43Å; V76-L79 PolarHBondContact O-N 3.46Å; E77-L79 VanDerWaalsContact C-N 3.26Å; E77-L79 PolarHBondContact O-N 2.86Å
80K62.7Low58.1Low161 Ų16189.9 Ų89.970%0.748%0.484SS*.Hα-helixtrans-79.2-34.5175.7-62.3-173.1177.1-172.70112.6E77 G78E77-K80 WeakPolarHBondContact O-CB 3.46Å; E77-K80 PolarHBondContact O-N 2.78Å; G78-K80 VanDerWaalsContact C-N 3.3Å
81Q53.4Low56.2Low138 Ų13894.2 Ų94.265%0.64550%0.503SS*.Hα-helixtrans-93.1-8.7-175.1-72.7177.211.100114.7E77 N83E77-Q81 PolarHBondContact O-N 2.93Å; Q81-N83 PolarHBondContact O-N 2.79Å
82G46.6Very low54.2Low49 Ų4999.5 Ų99.551%0.50553%0.531SS..THydrogen-bonded Turntrans-76.45.8-178.300000116.2G78G78-G82 PolarHBondContact O-N 3.03Å
83N43.6Very low52.6Low67 Ų6799.9 Ų99.936%0.35853%0.533SS..THydrogen-bonded Turntrans-119.328.1-164.9-155.558.7000115Q81 G85 A86 F89Q81-N83 PolarHBondContact O-N 2.79Å; N83-G85 PolarHBondContact O-N 3.3Å; N83-A86 PolarHBondContact ND2-O 2.91Å; N83-F89 WeakPolarHBondContact ND2-CD2 3.28Å
84E34.1Very low50.8Low203 Ų20396.3 Ų96.395%0.94953%0.526SS*.THydrogen-bonded Turntrans-70.218.5176.3-69.3-172.8138.200115
85G32.2Very low49.5Very low81 Ų8191.9 Ų91.984%0.83552%0.518SS*.THydrogen-bonded Turntrans-135.8-1.3-179.200000116.1N83N83-G85 PolarHBondContact O-N 3.3Å
86A30.6Very low47.9Very low56 Ų5698.8 Ų98.846%0.46355%0.55SS.*SBendtrans-144.3116178.400000108.7N83N83-A86 PolarHBondContact ND2-O 2.91Å
87G28.8Very low46.6Very low75 Ų7599.6 Ų99.677%0.77355%0.552SS**  trans-55.1158.1-179.300000113.3
88M36.7Very low45.5Very low130 Ų13098.6 Ų98.664%0.6455%0.546SS*.  trans92.749.7155.1-113.9167.883.400119.7L93M88-L93 HydrophobicContact CE-CD1 4.41Å
89F34.9Very low44.1Very low174 Ų174101 Ų10176%0.76357%0.57SS**  trans-125.270.9155.1-67.2-78.8000110.6N83N83-F89 WeakPolarHBondContact ND2-CD2 3.28Å
90S41.9Very low42.8Very low70 Ų70102.6 Ų102.649%0.4960%0.598SS.*  trans-88.2148.716557.30000109.9D92 L93S90-D92 PolarHBondContact O-N 3Å; S90-L93 WeakPolarHBondContact O-CB 3.35Å; S90-L93 PolarHBondContact O-N 3.06Å
91E45.4Very low41.5Very low143 Ų143100.2 Ų100.267%0.66860%0.602SS**Hα-helixtrans-47.6-24.4170.2-15781.8-177.300112.6M94 S95E91-M94 PolarHBondContact O-N 3.21Å; E91-S95 PolarHBondContact O-N 2.86Å
92D46.3Very low40.8Very low110 Ų11097.6 Ų97.659%0.58861%0.612SS**Hα-helixtrans-70.6-25.4174.5-91-21.3000114.6S90 S95 H96S90-D92 PolarHBondContact O-N 3Å; D92-S95 PolarHBondContact O-OG 2.91Å; D92-H96 VanDerWaalsContact O-CB 3.25Å; D92-H96 WeakPolarHBondContact O-CB 3.44Å; D92-H96 PolarHBondContact O-N 3.12Å; D92-H96 PolarHBondContact O-ND1 2.8Å
93L51.7Low40.3Very low56 Ų56102 Ų10229%0.29362%0.623SS.*Hα-helixtrans-75.6-31.9173.3-164.575.7000110.7M88 S90 H96 I97M88-L93 HydrophobicContact CE-CD1 4.41Å; S90-L93 WeakPolarHBondContact O-CB 3.35Å; S90-L93 PolarHBondContact O-N 3.06Å; L93-H96 PolarHBondContact O-N 2.95Å; L93-I97 HydrophobicContact CD1-CD1 4.2Å; L93-I97 HydrophobicContact CD1-CG1 4.44Å; L93-I97 HydrophobicContact CD2-CD1 4.01Å; L93-I97 HydrophobicContact CG-CD1 3.67Å; L93-I97 HydrophobicContact CG-CG1 4.18Å; L93-I97 VanDerWaalsContact O-CB 3.24Å; L93-I97 WeakPolarHBondContact O-CB 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.15Å; L93-I97 PolarHBondContact O-N 3.14Å
94M45.8Very low39.8Very low121 Ų121103.1 Ų103.160%0.59663%0.625SS**Hα-helixtrans-67.6-39.6174.4-166.7-176.183.700111E91 F98E91-M94 PolarHBondContact O-N 3.21Å; M94-F98 WeakPolarHBondContact O-CB 3.4Å; M94-F98 PolarHBondContact O-N 3.37Å
95S50.5Low40.3Very low55 Ų5596.9 Ų96.939%0.38562%0.615SS.*Hα-helixtrans-72.7-32.8175.271.20000112.8E91 D92 G99E91-S95 PolarHBondContact O-N 2.86Å; D92-S95 PolarHBondContact O-OG 2.91Å; S95-G99 VanDerWaalsContact O-CA 3.26Å; S95-G99 WeakPolarHBondContact O-CA 3.37Å; S95-G99 PolarHBondContact O-N 2.78Å
96H47.9Very low40.9Very low146 Ų14697.7 Ų97.768%0.67661%0.608SS**Hα-helixtrans-85.5-18.2179.8-79.138.7000115.1D92 L93D92-H96 VanDerWaalsContact O-CB 3.25Å; D92-H96 WeakPolarHBondContact O-CB 3.44Å; D92-H96 PolarHBondContact O-N 3.12Å; D92-H96 PolarHBondContact O-ND1 2.8Å; L93-H96 PolarHBondContact O-N 2.95Å
97I46.8Very low41.2Very low66 Ų66102.1 Ų102.134%0.33862%0.621SS.*Hα-helixtrans-87.3-34.2171.5-70.5180000111.3L93 F104L93-I97 HydrophobicContact CD1-CD1 4.2Å; L93-I97 HydrophobicContact CD1-CG1 4.44Å; L93-I97 HydrophobicContact CD2-CD1 4.01Å; L93-I97 HydrophobicContact CG-CD1 3.67Å; L93-I97 HydrophobicContact CG-CG1 4.18Å; L93-I97 VanDerWaalsContact O-CB 3.24Å; L93-I97 WeakPolarHBondContact O-CB 3.23Å; L93-I97 WeakPolarHBondContact O-CG1 3.15Å; L93-I97 PolarHBondContact O-N 3.14Å; I97-F104 HydrophobicContact CB-CE2 4.24Å; I97-F104 HydrophobicContact CB-CZ 4.4Å; I97-F104 HydrophobicContact CD1-CE2 4.45Å; I97-F104 HydrophobicContact CG1-CE2 3.79Å; I97-F104 HydrophobicContact CG1-CZ 4.26Å; I97-F104 HydrophobicContact CG2-CE1 4.35Å; I97-F104 HydrophobicContact CG2-CE2 4.03Å; I97-F104 HydrophobicContact CG2-CZ 3.69Å
98F46Very low41.5Very low122 Ų122103.4 Ų103.454%0.53561%0.605SS.*Hα-helixtrans-108.1-11.7-174.2-83.1-82.2000115.6K53 M94K53-F98 HydrophobicContact CD-CD1 4.01Å; K53-F98 HydrophobicContact CD-CE1 3.48Å; K53-F98 VanDerWaalsContact CD-CE1 3.48Å; K53-F98 HydrophobicContact CD-CZ 3.95Å; K53-F98 HydrophobicContact CG-CE1 3.98Å; K53-F98 HydrophobicContact CG-CZ 4.17Å; M94-F98 WeakPolarHBondContact O-CB 3.4Å; M94-F98 PolarHBondContact O-N 3.37Å
99G36.2Very low41.9Very low52 Ų5299.7 Ų99.754%0.53660%0.6SS.*SBendtrans-93.8103.8176.300000111.4S95 S101S95-G99 VanDerWaalsContact O-CA 3.26Å; S95-G99 WeakPolarHBondContact O-CA 3.37Å; S95-G99 PolarHBondContact O-N 2.78Å; G99-S101 PolarHBondContact O-N 3.25Å
100G36.4Very low42.3Very low80 Ų8097.6 Ų97.683%0.82560%0.597SS**  trans-52.3127.5-168.300000116
101S35.4Very low42Very low111 Ų111102.4 Ų102.478%0.77661%0.609SS**  trans-172.2115.2132.3-139.50000110.6G99 L103G99-S101 PolarHBondContact O-N 3.25Å; S101-L103 VanDerWaalsContact C-N 3.3Å; S101-L103 PolarHBondContact O-N 3.09Å
102G39.8Very low41.6Very low83 Ų8399.1 Ų99.186%0.85660%0.601SS**SBendtrans65-9.5137.400000122.2
103L36.2Very low41.3Very low140 Ų14096.2 Ų96.273%0.73360%0.597SS**SBendtrans-127.4-14.3-172-63.4177.1000114.5S101 G105 S106 M107S101-L103 VanDerWaalsContact C-N 3.3Å; S101-L103 PolarHBondContact O-N 3.09Å; L103-G105 PolarHBondContact O-N 3.22Å; L103-S106 PolarHBondContact O-N 3.33Å; L103-M107 PolarHBondContact O-N 3.34Å
104F32.7Very low40.7Very low91 Ų91104.4 Ų104.440%0.39963%0.626SS.*Hα-helixtrans-71.6-25.8-178-165.7-108.8000113.5I97 S106 F108I97-F104 HydrophobicContact CB-CE2 4.24Å; I97-F104 HydrophobicContact CB-CZ 4.4Å; I97-F104 HydrophobicContact CD1-CE2 4.45Å; I97-F104 HydrophobicContact CG1-CE2 3.79Å; I97-F104 HydrophobicContact CG1-CZ 4.26Å; I97-F104 HydrophobicContact CG2-CE1 4.35Å; I97-F104 HydrophobicContact CG2-CE2 4.03Å; I97-F104 HydrophobicContact CG2-CZ 3.69Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.09Å; F104-F108 HydrophobicContact CD1-CB 4.24Å; F104-F108 HydrophobicContact CD1-CG 4.47Å; F104-F108 HydrophobicContact CD2-CB 4.25Å; F104-F108 HydrophobicContact CD2-CD2 4.43Å; F104-F108 HydrophobicContact CE1-CB 4.05Å; F104-F108 HydrophobicContact CE1-CD1 4.26Å; F104-F108 AromaticContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CE2 4.25Å; F104-F108 AromaticContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE2-CB 4.05Å; F104-F108 AromaticContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CD2 3.44Å; F104-F108 VanDerWaalsContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CE2 4.12Å; F104-F108 HydrophobicContact CE2-CG 4.01Å; F104-F108 HydrophobicContact CG-CB 4.35Å; F104-F108 HydrophobicContact CZ-CB 3.96Å; F104-F108 HydrophobicContact CZ-CD1 4.3Å; F104-F108 AromaticContact CZ-CD2 3.08Å; F104-F108 HydrophobicContact CZ-CD2 3.08Å; F104-F108 AromaticContact CZ-CE2 3.46Å; F104-F108 HydrophobicContact CZ-CE2 3.46Å; F104-F108 VanDerWaalsContact CZ-CE2 3.46Å; F104-F108 AromaticContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CZ 4.23Å; F104-F108 WeakPolarHBondContact O-CB 3.48Å; F104-F108 PolarHBondContact O-N 2.9Å; F104-F108 VanDerWaalsContact O-N 3.12Å
105G44.5Very low40.3Very low72 Ų72101.5 Ų101.574%0.74263%0.627SS**Hα-helixtrans-69.3-27.8177.300000114.4L103L103-G105 PolarHBondContact O-N 3.22Å
106S43.6Very low39.9Very low99 Ų99102 Ų10269%0.69264%0.64SS**Hα-helixtrans-106.1-11-176-720000114.2L103 F104L103-S106 PolarHBondContact O-N 3.33Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.09Å
107M37.9Very low39.7Very low149 Ų149106.4 Ų106.473%0.73465%0.651SS**Hα-helixtrans-108.9-25.5176.2-125.6177.8160.100113L103 G109 D110 F111L103-M107 PolarHBondContact O-N 3.34Å; M107-G109 VanDerWaalsContact C-N 3.34Å; M107-D110 PolarHBondContact O-N 2.94Å; M107-F111 WeakPolarHBondContact O-CB 3.45Å; M107-F111 PolarHBondContact O-N 2.9Å
108F34.6Very low39.6Very low102 Ų102114.7 Ų114.745%0.44768%0.678SS.*Hα-helixtrans-75.3-26169.1-161.9-100.9000111.9F104 D110 C112F104-F108 HydrophobicContact CD1-CB 4.24Å; F104-F108 HydrophobicContact CD1-CG 4.47Å; F104-F108 HydrophobicContact CD2-CB 4.25Å; F104-F108 HydrophobicContact CD2-CD2 4.43Å; F104-F108 HydrophobicContact CE1-CB 4.05Å; F104-F108 HydrophobicContact CE1-CD1 4.26Å; F104-F108 AromaticContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CD2 3.83Å; F104-F108 HydrophobicContact CE1-CE2 4.25Å; F104-F108 AromaticContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE1-CG 3.8Å; F104-F108 HydrophobicContact CE2-CB 4.05Å; F104-F108 AromaticContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CD2 3.44Å; F104-F108 VanDerWaalsContact CE2-CD2 3.44Å; F104-F108 HydrophobicContact CE2-CE2 4.12Å; F104-F108 HydrophobicContact CE2-CG 4.01Å; F104-F108 HydrophobicContact CG-CB 4.35Å; F104-F108 HydrophobicContact CZ-CB 3.96Å; F104-F108 HydrophobicContact CZ-CD1 4.3Å; F104-F108 AromaticContact CZ-CD2 3.08Å; F104-F108 HydrophobicContact CZ-CD2 3.08Å; F104-F108 AromaticContact CZ-CE2 3.46Å; F104-F108 HydrophobicContact CZ-CE2 3.46Å; F104-F108 VanDerWaalsContact CZ-CE2 3.46Å; F104-F108 AromaticContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CG 3.55Å; F104-F108 HydrophobicContact CZ-CZ 4.23Å; F104-F108 WeakPolarHBondContact O-CB 3.48Å; F104-F108 PolarHBondContact O-N 2.9Å; F104-F108 VanDerWaalsContact O-N 3.12Å; F108-D110 VanDerWaalsContact C-N 3.27Å; F108-D110 PolarHBondContact O-N 2.81Å; F108-C112 HydrophobicContact CD1-CB 4.18Å; F108-C112 WeakPolarHBondContact CD2-SG 3.47Å; F108-C112 HydrophobicContact CE1-CB 4.06Å; F108-C112 HydrophobicContact CE2-CB 4.44Å; F108-C112 WeakPolarHBondContact CE2-SG 3.23Å; F108-C112 HydrophobicContact CG-CB 4.42Å; F108-C112 HydrophobicContact CZ-CB 4.2Å; F108-C112 WeakPolarHBondContact CZ-SG 3.47Å; F108-C112 VanDerWaalsContact O-CB 3.24Å; F108-C112 WeakPolarHBondContact O-CB 3.49Å; F108-C112 PolarHBondContact O-N 3.04Å; F108-C112 VanDerWaalsContact O-N 3.13Å
109G46Very low39.8Very low51 Ų51118.6 Ų118.653%0.52669%0.689SS.*Hα-helixtrans-63.8-31.5168.800000113.3M107M107-G109 VanDerWaalsContact C-N 3.34Å
110D43.5Very low40.7Very low131 Ų131125.8 Ų125.870%0.70170%0.7SS**Hα-helixtrans-102.3-21.8-174.6-75.7-24.4000114.2M107 F108M107-D110 PolarHBondContact O-N 2.94Å; F108-D110 VanDerWaalsContact C-N 3.27Å; F108-D110 PolarHBondContact O-N 2.81Å
111F34.7Very low42.4Very low171 Ų171129 Ų12975%0.7569%0.694SS**Hα-helixtrans-97.7-26.1175.6-165.5-106.6000113.7M107 G113M107-F111 WeakPolarHBondContact O-CB 3.45Å; M107-F111 PolarHBondContact O-N 2.9Å; F111-G113 VanDerWaalsContact C-N 3.3Å
112C36.3Very low44.4Very low73 Ų73131.2 Ų131.249%0.49369%0.685SS.*THydrogen-bonded Turntrans-91.59.5171.8-57.70000113.4F108F108-C112 HydrophobicContact CD1-CB 4.18Å; F108-C112 WeakPolarHBondContact CD2-SG 3.47Å; F108-C112 HydrophobicContact CE1-CB 4.06Å; F108-C112 HydrophobicContact CE2-CB 4.44Å; F108-C112 WeakPolarHBondContact CE2-SG 3.23Å; F108-C112 HydrophobicContact CG-CB 4.42Å; F108-C112 HydrophobicContact CZ-CB 4.2Å; F108-C112 WeakPolarHBondContact CZ-SG 3.47Å; F108-C112 VanDerWaalsContact O-CB 3.24Å; F108-C112 WeakPolarHBondContact O-CB 3.49Å; F108-C112 PolarHBondContact O-N 3.04Å; F108-C112 VanDerWaalsContact O-N 3.13Å
113G40.4Very low46.3Very low49 Ų49127.9 Ų127.951%0.50565%0.651SS.*THydrogen-bonded Turntrans-86-8.1169.900000114.6F111 G115F111-G113 VanDerWaalsContact C-N 3.3Å; G113-G115 PolarHBondContact O-N 2.89Å
114Y38.6Very low48.7Very low228 Ų228129.6 Ų129.689%0.89466%0.655SS**SBendtrans-90.640.2-179-106.7-92.9000113.5
115G38.8Very low51.5Low61 Ų61129.4 Ų129.463%0.62966%0.658SS**  trans-14743.7171.100000108.2G113 R117G113-G115 PolarHBondContact O-N 2.89Å; G115-R117 PolarHBondContact O-N 3.44Å
116G41.1Very low53.6Low64 Ų64128 Ų12866%0.6664%0.635SS**  trans-57.987.5172.400000108.2R118G116-R118 PolarHBondContact O-N 3.23Å
117R43.7Very low56Low239 Ų239127.6 Ų127.690%0.90263%0.628SS**  trans-45.1105.5157.3-82.3-176.3177.8-175.90.5102.8G115 R119G115-R117 PolarHBondContact O-N 3.44Å; R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 2.81Å
118R45Very low58.6Low240 Ų240123.4 Ų123.491%0.90661%0.607SS**  trans-42.6103.4-178.1-75.7179.3178.8162.5-1105G116 R120G116-R118 PolarHBondContact O-N 3.23Å; R118-R120 VanDerWaalsContact C-N 3.25Å; R118-R120 PolarHBondContact O-N 3.27Å
119R50.8Low61.4Low204 Ų204122.3 Ų122.377%0.7761%0.61SS**  trans-58.8108.2175.9-176.4179-171.2168.52.7100.5R117 E121R117-R119 VanDerWaalsContact C-N 3.27Å; R117-R119 PolarHBondContact O-N 2.81Å; R119-E121 PolarHBondContact O-N 2.71Å
120R55.4Low63.7Low203 Ų203121 Ų12177%0.76659%0.591SS**  trans-45.3114.9-178.6-72.9-180178.5170.8-1.6104.3R118 R122R118-R120 VanDerWaalsContact C-N 3.25Å; R118-R120 PolarHBondContact O-N 3.27Å; R120-R122 PolarHBondContact O-N 2.83Å
121E70.4Confident66.1Low147 Ų147123.6 Ų123.669%0.68759%0.591SS**  trans-57.8114-179.1-74173.5159.800103.6R119 V262 Q263R119-E121 PolarHBondContact O-N 2.71Å; E121-V262 HydrophobicContact CB-CG1 4.17Å; E121-V262 HydrophobicContact CB-CG2 4.43Å; E121-V262 WeakPolarHBondContact O-CG1 3.37Å; E121-Q263 PolarHBondContact O-N 2.67Å
122R77.5Confident68.9Low158 Ų158115.5 Ų115.560%0.59656%0.556SS**BIsolated β-bridgetrans-90.3132.5172.6-69.6-173.2-64.1175.94.7104.5R120 Q263R120-R122 PolarHBondContact O-N 2.83Å; R122-Q263 CarbonylContact C-O 3.46Å; R122-Q263 WeakPolarHBondContact CA-O 3.28Å; R122-Q263 HydrophobicContact CG-CB 4.32Å
123G79.6Confident71.6Confident13 Ų13113.9 Ų113.913%0.13454%0.543CS..PPolyproline II helixtrans-57.1154.5173.400000110Q263 G265G123-Q263 PolarHBondContact N-O 2.67Å; G123-G265 WeakPolarHBondContact O-CA 3.35Å
124E87.5Confident74.1Confident177 Ų177112 Ų11283%0.82752%0.522SS*.PPolyproline II helixtrans-66.1139.1179.7-61.9-178.1164.600110.6
125D91.6Very high76.7Confident87 Ų87105 Ų10547%0.46550%0.497SS..PPolyproline II helixtrans-71.9131.8175.9-69.7-19.6000109.5N266 V268D125-N266 CarbonylContact C-O 3.55Å; D125-N266 VanDerWaalsContact CA-O 3.27Å; D125-N266 WeakPolarHBondContact CA-O 3.32Å; D125-N266 WeakPolarHBondContact OD1-CB 2.98Å; D125-N266 PolarHBondContact OD1-N 2.91Å; D125-N266 PolarHBondContact OD1-ND2 2.94Å; D125-V268 HydrophobicContact CB-CG2 4.43Å
126T89.5Confident79.3Confident41 Ų41103.5 Ų103.525%0.25248%0.475SS..EExtended strand (participates in β ladder)trans-93.3121.1179.4-50.80000110H128 N266 V267 V268T126-H128 WeakPolarHBondContact CG2-NE2 3.45Å; T126-N266 PolarHBondContact N-O 3.41Å; T126-V267 WeakPolarHBondContact O-CA 3.38Å; T126-V268 PolarHBondContact O-N 3.19Å
127V92.9Very high81.7Confident91 Ų91100.5 Ų100.555%0.55244%0.444SS*.EExtended strand (participates in β ladder)trans-97.7121.4-179.5-176.10000110.4V268 V270V127-V268 CarbonylContact C-O 3.52Å; V127-V268 WeakPolarHBondContact CA-O 3.46Å; V127-V268 HydrophobicContact CG2-CB 4.45Å; V127-V270 HydrophobicContact CG1-CG2 3.64Å
128H92Very high84.1Confident62 Ų6290 Ų9029%0.28740%0.404SS..EExtended strand (participates in β ladder)trans-118.2116.5177.1-74.6-67.6000111.4T126 L130 L145 L147 V268 I269 V270T126-H128 WeakPolarHBondContact CG2-NE2 3.45Å; H128-L130 PolarHBondContact O-N 2.84Å; H128-L145 HydrophobicContact CB-CD2 4.41Å; H128-L147 WeakPolarHBondContact NE2-CD2 3.24Å; H128-V268 PolarHBondContact N-O 2.74Å; H128-I269 VanDerWaalsContact O-CA 3.3Å; H128-I269 WeakPolarHBondContact O-CA 3.09Å; H128-V270 PolarHBondContact O-N 3.23Å
129P94.1Very high86.3Confident78 Ų7882.6 Ų82.651%0.50638%0.383SS..EExtended strand (participates in β ladder)trans-75.8124174.429.1-31.9000110.9V270 Q272P129-V270 WeakPolarHBondContact CA-O 3.34Å; P129-Q272 VanDerWaalsContact CB-CD 3.48Å; P129-Q272 HydrophobicContact CB-CG 4.16Å
130L94.2Very high88.2Confident24 Ų2474.1 Ų74.113%0.12636%0.358CS..EExtended strand (participates in β ladder)trans-104.8114.7174.4-177.965000109.4H128 V132 A143 V238 I240 I269 V270 L271 Q272H128-L130 PolarHBondContact O-N 2.84Å; L130-V132 HydrophobicContact CD2-CG2 4.29Å; L130-V132 HydrophobicContact CG-CG2 4.02Å; L130-A143 HydrophobicContact CD2-CB 4.13Å; L130-V238 HydrophobicContact CD2-CB 4.35Å; L130-V238 HydrophobicContact CD2-CG1 4.02Å; L130-I240 HydrophobicContact CD2-CD1 4Å; L130-I240 HydrophobicContact CD2-CG1 4.46Å; L130-I269 HydrophobicContact CB-CG2 3.56Å; L130-I269 HydrophobicContact CD2-CG2 4.15Å; L130-I269 HydrophobicContact CG-CG2 4.49Å; L130-V270 PolarHBondContact N-O 2.82Å; L130-L271 HydrophobicContact CB-CD2 4.29Å; L130-L271 HydrophobicContact CD2-CD2 3.95Å; L130-L271 HydrophobicContact CG-CD2 4.47Å; L130-Q272 PolarHBondContact O-N 2.89Å
131R94.1Very high90Very high185 Ų18568.7 Ų68.770%0.69834%0.34SS*.EExtended strand (participates in β ladder)trans-80.3122.9178.4-64.3-180176.2172.3-2.6110.6Q272 K274R131-Q272 CarbonylContact C-O 3.57Å; R131-Q272 WeakPolarHBondContact CA-O 3.26Å; R131-K274 HydrophobicContact CB-CG 4.41Å
132V93.6Very high91.1Very high2 Ų265.9 Ų65.91%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-127.6139.7-173.8-172.70000109.8L130 D136 L137 I240 L271 Q272 G273 K274L130-V132 HydrophobicContact CD2-CG2 4.29Å; L130-V132 HydrophobicContact CG-CG2 4.02Å; V132-D136 HydrophobicContact CG1-CB 3.4Å; V132-L137 HydrophobicContact CB-CD2 4.42Å; V132-L137 HydrophobicContact CB-CG 4.48Å; V132-L137 HydrophobicContact CG1-CD2 3.81Å; V132-L137 HydrophobicContact CG1-CG 3.79Å; V132-I240 HydrophobicContact CG1-CD1 3.95Å; V132-I240 HydrophobicContact CG2-CD1 3.64Å; V132-L271 HydrophobicContact CG2-CD2 4.05Å; V132-Q272 PolarHBondContact N-O 3.1Å; V132-G273 CarbonylContact O-C 3.58Å; V132-G273 WeakPolarHBondContact O-CA 3.43Å; V132-K274 PolarHBondContact O-N 3.42Å
133T93.8Very high91.8Very high38 Ų3859.1 Ų59.123%0.23331%0.311CS..  trans-79.8161.2174.759.60000111.3E135 D136 L137 K274T133-E135 VanDerWaalsContact C-N 3.26Å; T133-E135 PolarHBondContact O-N 3.06Å; T133-D136 PolarHBondContact O-N 3.32Å; T133-D136 WeakPolarHBondContact OG1-CB 3.45Å; T133-D136 PolarHBondContact OG1-N 3.15Å; T133-D136 PolarHBondContact OG1-OD1 3.5Å; T133-D136 PolarHBondContact OG1-OD2 2.8Å; T133-L137 WeakPolarHBondContact O-CG 3.36Å; T133-L137 PolarHBondContact O-N 2.91Å; T133-L137 VanDerWaalsContact O-N 3.14Å; T133-K274 HydrophobicContact CG2-CD 4.12Å
134L92.7Very high92.5Very high11 Ų1165.3 Ų65.36%0.05833%0.334CS..Hα-helixtrans-61.6-35.4173.5-72.5-174.2000112.3L137 Y138 H276 F279 R281 L308L134-L137 HydrophobicContact CD2-CD1 4.29Å; L134-L137 PolarHBondContact O-N 3.5Å; L134-Y138 PolarHBondContact O-N 3.24Å; L134-H276 HydrophobicContact CB-CB 4.37Å; L134-H276 HydrophobicContact CD1-CB 3.43Å; L134-H276 VanDerWaalsContact CD1-CB 3.43Å; L134-H276 HydrophobicContact CG-CB 3.97Å; L134-F279 HydrophobicContact CD1-CB 4.21Å; L134-F279 WeakPolarHBondContact CD1-O 3.26Å; L134-R281 HydrophobicContact CD1-CB 4.45Å; L134-R281 HydrophobicContact CD2-CB 4.02Å; L134-L308 HydrophobicContact CB-CD1 4.39Å; L134-L308 HydrophobicContact CB-CD2 4.13Å
135E92.7Very high92.6Very high79 Ų7958.9 Ų58.937%0.36931%0.305SS..Hα-helixtrans-61.5-43.3174.8-61.7170.7-178.200112T133 L137 Y138 N139 L308T133-E135 VanDerWaalsContact C-N 3.26Å; T133-E135 PolarHBondContact O-N 3.06Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 3.06Å; E135-Y138 PolarHBondContact O-N 2.73Å; E135-N139 PolarHBondContact O-N 2.96Å; E135-N139 PolarHBondContact O-ND2 2.74Å; E135-L308 HydrophobicContact CG-CD2 3.96Å
136D92.6Very high92.6Very high31 Ų3161 Ų6117%0.16631%0.312CS..Hα-helixtrans-63.5-35.7176.2-70.9-19.5000111V132 T133 G140 K141V132-D136 HydrophobicContact CG1-CB 3.4Å; T133-D136 PolarHBondContact O-N 3.32Å; T133-D136 WeakPolarHBondContact OG1-CB 3.45Å; T133-D136 PolarHBondContact OG1-N 3.15Å; T133-D136 PolarHBondContact OG1-OD1 3.5Å; T133-D136 PolarHBondContact OG1-OD2 2.8Å; D136-G140 CarbonylContact O-C 3.56Å; D136-G140 VanDerWaalsContact O-CA 3.24Å; D136-G140 WeakPolarHBondContact O-CA 3.17Å; D136-G140 PolarHBondContact O-N 3.45Å; D136-K141 HydrophobicContact CB-CB 4.27Å; D136-K141 HydrophobicContact CB-CD 3.92Å; D136-K141 WeakPolarHBondContact OD1-CD 3.27Å; D136-K141 IonicContact OD1-NZ 2.73Å; D136-K141 PolarHBondContact OD1-NZ 2.92Å; D136-K141 WeakPolarHBondContact OD2-CD 3.3Å; D136-K141 IonicContact OD2-NZ 3.49Å; D136-K141 PolarHBondContact OD2-NZ 2.82Å
137L92.7Very high92.7Very high1 Ų159.7 Ų59.71%0.00530%0.304CS..Hα-helixtrans-74.3-24.8175.7-66.6173.5000113V132 T133 L134 E135 I240 P242 G243 M244 L271 M336V132-L137 HydrophobicContact CB-CD2 4.42Å; V132-L137 HydrophobicContact CB-CG 4.48Å; V132-L137 HydrophobicContact CG1-CD2 3.81Å; V132-L137 HydrophobicContact CG1-CG 3.79Å; T133-L137 WeakPolarHBondContact O-CG 3.36Å; T133-L137 PolarHBondContact O-N 2.91Å; T133-L137 VanDerWaalsContact O-N 3.14Å; L134-L137 HydrophobicContact CD2-CD1 4.29Å; L134-L137 PolarHBondContact O-N 3.5Å; E135-L137 VanDerWaalsContact C-N 3.28Å; E135-L137 PolarHBondContact O-N 3.06Å; L137-I240 HydrophobicContact CD2-CG2 3.86Å; L137-P242 WeakPolarHBondContact O-CA 3.48Å; L137-G243 PolarHBondContact O-N 3.41Å; L137-M244 HydrophobicContact CD2-CB 4.33Å; L137-L271 HydrophobicContact CD2-CD1 4.46Å; L137-M336 HydrophobicContact CB-CE 3.86Å
138Y92.9Very high92.6Very high18 Ų1860.8 Ų60.87%0.07131%0.307CS..Hα-helixtrans-80.4-52178.3-171.8-81.9000111.2L134 E135 L308 N309 G335 M336 K344L134-Y138 PolarHBondContact O-N 3.24Å; E135-Y138 PolarHBondContact O-N 2.73Å; Y138-L308 HydrophobicContact CD1-CB 4.3Å; Y138-L308 HydrophobicContact CD2-CB 3.95Å; Y138-L308 HydrophobicContact CD2-CD1 3.82Å; Y138-L308 HydrophobicContact CG-CB 3.8Å; Y138-L308 HydrophobicContact CG-CD1 4.24Å; Y138-N309 HydrophobicContact CD1-CB 4.22Å; Y138-N309 HydrophobicContact CE1-CB 3.81Å; Y138-G335 VanDerWaalsContact CE2-O 3.31Å; Y138-G335 WeakPolarHBondContact CE2-O 3.3Å; Y138-M336 HydrophobicContact CD2-SD 3.99Å; Y138-K344 WeakPolarHBondContact OH-CE 3.47Å; Y138-K344 PolarHBondContact OH-NZ 3.33Å
139N90.7Very high92.5Very high85 Ų8559.1 Ų59.146%0.45530%0.299SS..Hα-helixtrans-82.1-21.7-176.1-62.1-50.7000112.8E135 L308E135-N139 PolarHBondContact O-N 2.96Å; E135-N139 PolarHBondContact O-ND2 2.74Å; N139-L308 PolarHBondContact ND2-O 3.02Å
140G91.6Very high92.3Very high25 Ų2560.2 Ų60.226%0.25830%0.295SS..  trans79.6147.8-166.900000111.3D136 I240D136-G140 CarbonylContact O-C 3.56Å; D136-G140 VanDerWaalsContact O-CA 3.24Å; D136-G140 WeakPolarHBondContact O-CA 3.17Å; D136-G140 PolarHBondContact O-N 3.45Å; G140-I240 VanDerWaalsContact CA-O 3.29Å; G140-I240 WeakPolarHBondContact CA-O 3.38Å
141K92.7Very high92.1Very high89 Ų8960.1 Ų60.139%0.38730%0.296SS..EExtended strand (participates in β ladder)trans-150.2140.3-176.6-178.5167.9-178.4171.70111.8D136 I240D136-K141 HydrophobicContact CB-CB 4.27Å; D136-K141 HydrophobicContact CB-CD 3.92Å; D136-K141 WeakPolarHBondContact OD1-CD 3.27Å; D136-K141 IonicContact OD1-NZ 2.73Å; D136-K141 PolarHBondContact OD1-NZ 2.92Å; D136-K141 WeakPolarHBondContact OD2-CD 3.3Å; D136-K141 IonicContact OD2-NZ 3.49Å; D136-K141 PolarHBondContact OD2-NZ 2.82Å; K141-I240 HydrophobicContact CB-CD1 4.41Å; K141-I240 PolarHBondContact N-O 2.95Å; K141-I240 VanDerWaalsContact O-CB 3.3Å; K141-I240 WeakPolarHBondContact O-CB 3.29Å; K141-I240 PolarHBondContact O-N 2.81Å
142V94.4Very high91.8Very high88 Ų8853.6 Ų53.653%0.53327%0.274SS..EExtended strand (participates in β ladder)trans-95.8106.4168.5-177.80000108E237V142-E237 HydrophobicContact CG1-CB 4.48Å
143A92.3Very high91.3Very high17 Ų1753.5 Ų53.514%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-97.1129.8178.900000110.5L130 V238 I240L130-A143 HydrophobicContact CD2-CB 4.13Å; A143-V238 HydrophobicContact CB-CB 4.48Å; A143-V238 PolarHBondContact N-O 3.24Å; A143-V238 PolarHBondContact O-N 2.77Å; A143-I240 HydrophobicContact CB-CD1 4.32Å
144K93.2Very high90.8Very high143 Ų14356.1 Ų56.162%0.62229%0.291SS*.EExtended strand (participates in β ladder)trans-93.9113.4175.2-65.2-172.7175.7-163.40109.4L235 E237K144-L235 HydrophobicContact CB-CD1 4.31Å; K144-L235 HydrophobicContact CB-CD2 3.98Å; K144-L235 HydrophobicContact CB-CG 4.26Å; K144-L235 HydrophobicContact CD-CD1 4.46Å; K144-L235 HydrophobicContact CD-CD2 4.03Å; K144-L235 HydrophobicContact CG-CD2 4.02Å; K144-E237 WeakPolarHBondContact CE-OE1 3.31Å; K144-E237 HydrophobicContact CG-CG 4.39Å; K144-E237 IonicContact NZ-OE1 3.72Å; K144-E237 PolarHBondContact NZ-OE1 2.84Å
145L91.1Very high90.1Very high41 Ų4162.5 Ų62.522%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-107.9119.7-180-174.667000109.9H128 L147 L236 V238 I269H128-L145 HydrophobicContact CB-CD2 4.41Å; L145-L147 HydrophobicContact CD2-CD1 4.34Å; L145-L147 HydrophobicContact CD2-CD2 3.67Å; L145-L147 HydrophobicContact CD2-CG 4.05Å; L145-L147 HydrophobicContact CG-CD2 3.83Å; L145-L147 HydrophobicContact CG-CG 4.1Å; L145-L236 PolarHBondContact N-O 3.37Å; L145-L236 PolarHBondContact O-N 3.16Å; L145-V238 HydrophobicContact CB-CG2 4.26Å; L145-I269 HydrophobicContact CD2-CD1 3.83Å
146Q91.6Very high88.9Confident132 Ų13260.4 Ų60.462%0.61731%0.312SS*.EExtended strand (participates in β ladder)trans-86.5115.7172.5-175.5176.8-15.900109.4A233Q146-A233 HydrophobicContact CG-CB 4.29Å
147L90.4Very high87.6Confident14 Ų1464.5 Ų64.57%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-109.6135.6176.7-65-175.3000110.8H128 L145 A233 K234 L236 V267H128-L147 WeakPolarHBondContact NE2-CD2 3.24Å; L145-L147 HydrophobicContact CD2-CD1 4.34Å; L145-L147 HydrophobicContact CD2-CD2 3.67Å; L145-L147 HydrophobicContact CD2-CG 4.05Å; L145-L147 HydrophobicContact CG-CD2 3.83Å; L145-L147 HydrophobicContact CG-CG 4.1Å; L147-A233 CarbonylContact O-C 3.55Å; L147-A233 WeakPolarHBondContact O-CA 3.24Å; L147-K234 PolarHBondContact N-O 3.42Å; L147-K234 PolarHBondContact O-N 3.05Å; L147-L236 HydrophobicContact CD1-CD1 3.45Å; L147-L236 VanDerWaalsContact CD1-CD1 3.45Å; L147-L236 HydrophobicContact CD1-CG 4.25Å; L147-L236 HydrophobicContact CG-CD1 4.37Å; L147-V267 HydrophobicContact CD1-CB 4.47Å; L147-V267 HydrophobicContact CD1-CG1 3.61Å; L147-V267 HydrophobicContact CD1-CG2 4.13Å
148N91.4Very high85.9Confident114 Ų11464.7 Ų64.761%0.6134%0.337SS*.EExtended strand (participates in β ladder)trans-93.8103172.3-66.1-31.1000108.2T231N148-T231 HydrophobicContact CB-CG2 3.91Å
149K90.1Very high84Confident27 Ų2765.6 Ų65.612%0.11735%0.352CS..EExtended strand (participates in β ladder)trans-103.2146.6179.456.4165.8-176.7172.90111.1V151 T231 E232 K234 E255K149-V151 HydrophobicContact CD-CG2 3.61Å; K149-V151 VanDerWaalsContact CE-CG2 3.44Å; K149-V151 HydrophobicContact CG-CG2 3.75Å; K149-T231 CarbonylContact O-C 3.57Å; K149-T231 WeakPolarHBondContact O-CA 3.47Å; K149-E232 WeakPolarHBondContact CG-O 3.35Å; K149-E232 PolarHBondContact N-O 3.4Å; K149-E232 PolarHBondContact O-N 2.79Å; K149-K234 HydrophobicContact CD-CB 4.4Å; K149-K234 HydrophobicContact CD-CD 4.43Å; K149-K234 HydrophobicContact CG-CB 4.5Å; K149-E255 IonicContact NZ-OE2 2.73Å
150K90.5Very high81.8Confident100 Ų10063.6 Ų63.644%0.43534%0.344SS..EExtended strand (participates in β ladder)trans-82.9116.6168.3-65.3172.8-168.8153.20108.5D257 Q258K150-D257 HydrophobicContact CB-CB 4.33Å; K150-D257 PolarHBondContact N-OD1 3.05Å; K150-D257 IonicContact NZ-OD2 2.68Å; K150-Q258 WeakPolarHBondContact O-CB 3.27Å; K150-Q258 PolarHBondContact O-N 3.35Å
151V89.3Confident79.4Confident22 Ų2267.6 Ų67.613%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-109.7148.4177.6-176.30000108.9K149 C153 R229 I230 E232K149-V151 HydrophobicContact CD-CG2 3.61Å; K149-V151 VanDerWaalsContact CE-CG2 3.44Å; K149-V151 HydrophobicContact CG-CG2 3.75Å; V151-C153 PolarHBondContact O-N 3.41Å; V151-R229 CarbonylContact O-C 3.6Å; V151-R229 VanDerWaalsContact O-CA 3.29Å; V151-R229 WeakPolarHBondContact O-CA 3.45Å; V151-I230 PolarHBondContact N-O 3.49Å; V151-I230 PolarHBondContact O-N 2.87Å; V151-E232 HydrophobicContact CG2-CB 3.98Å; V151-E232 WeakPolarHBondContact CG2-OE2 3.44Å
152I86.7Confident76.6Confident48 Ų4866.4 Ų66.425%0.24637%0.372CS..EExtended strand (participates in β ladder)trans-58.2129.2171.3-69.5168.1000108.9P154 Q258I152-P154 WeakPolarHBondContact O-CD 3.49Å; I152-P154 VanDerWaalsContact O-N 3.16Å; I152-Q258 HydrophobicContact CD1-CB 4.28Å; I152-Q258 HydrophobicContact CG1-CB 3.96Å
153C83.6Confident73.7Confident0 Ų069.7 Ų69.70%039%0.385CS..  trans-60.2121.2-176.9170.90000110.2V151 K155 C156 N157 C224 K228 I230V151-C153 PolarHBondContact O-N 3.41Å; C153-K155 PolarHBondContact O-N 2.63Å; C153-C156 WeakPolarHBondContact CB-SG 3.29Å; C153-C156 PolarHBondContact O-N 2.97Å; C153-C156 VanDerWaalsContact SG-SG 3.62Å; C153-N157 WeakPolarHBondContact O-CA 3.33Å; C153-N157 PolarHBondContact O-N 2.78Å; C153-C224 HydrophobicContact CB-CB 3.93Å; C153-K228 WeakPolarHBondContact CB-O 3.45Å; C153-K228 PolarHBondContact N-O 3.45Å; C153-I230 HydrophobicContact CB-CD1 3.92Å; C153-I230 HydrophobicContact CB-CG1 3.96Å
154P82.8Confident70.6Confident94 Ų9477.2 Ų77.261%0.6142%0.419SS*.THydrogen-bonded Turntrans-67.1-23.1-173.226.7-34.7000112.5I152 N157I152-P154 WeakPolarHBondContact O-CD 3.49Å; I152-P154 VanDerWaalsContact O-N 3.16Å; P154-N157 PolarHBondContact O-OD1 2.82Å
155K78.3Confident67.8Low145 Ų14574.3 Ų74.363%0.6342%0.422SS*.THydrogen-bonded Turntrans-79.5-25.4178-72.7-170.8-175.5174.30114.2C153 Q223C153-K155 PolarHBondContact O-N 2.63Å; K155-Q223 VanDerWaalsContact CD-CD 3.44Å; K155-Q223 HydrophobicContact CD-CG 4Å
156C68.1Low64.9Low35 Ų3582.1 Ų82.124%0.23646%0.455CS..THydrogen-bonded Turntrans-117.41.717968.70000113.2C153 G158 G159 C221C153-C156 WeakPolarHBondContact CB-SG 3.29Å; C153-C156 PolarHBondContact O-N 2.97Å; C153-C156 VanDerWaalsContact SG-SG 3.62Å; C156-G158 PolarHBondContact O-N 2.85Å; C156-G159 PolarHBondContact O-N 2.84Å; C156-C221 HydrophobicContact CB-CB 4.48Å
157N65.1Low62.1Low116 Ų11680.5 Ų80.562%0.6246%0.458SS*.THydrogen-bonded Turntrans44.532.2-176.7-75.7-14.6000114.1C153 P154 G159C153-N157 WeakPolarHBondContact O-CA 3.33Å; C153-N157 PolarHBondContact O-N 2.78Å; P154-N157 PolarHBondContact O-OD1 2.82Å; N157-G159 PolarHBondContact O-N 2.82Å; N157-G159 VanDerWaalsContact O-N 3.08Å
158G57.6Low59.2Low6 Ų688.4 Ų88.46%0.06250%0.499CS..THydrogen-bonded Turntrans69.92.5-179.500000114.2C156 S160 P260C156-G158 PolarHBondContact O-N 2.85Å; G158-S160 PolarHBondContact O-N 2.72Å; G158-S160 VanDerWaalsContact O-N 3.09Å; G158-P260 VanDerWaalsContact O-CB 3.32Å; G158-P260 WeakPolarHBondContact O-CB 3.44Å
159G52.2Low56.4Low37 Ų3787.1 Ų87.138%0.38151%0.512SS..  trans-70104.5176.800000111.1C156 N157C156-G159 PolarHBondContact O-N 2.84Å; N157-G159 PolarHBondContact O-N 2.82Å; N157-G159 VanDerWaalsContact O-N 3.08Å
160S45Very low53.8Low43 Ų4388.7 Ų88.730%0.30154%0.537SS..SBend-64.4128.8120.236.30000106.9G158 G162 Y175 K228G158-S160 PolarHBondContact O-N 2.72Å; G158-S160 VanDerWaalsContact O-N 3.09Å; S160-G162 PolarHBondContact O-N 2.89Å; S160-Y175 WeakPolarHBondContact CA-OH 3.45Å; S160-K228 VanDerWaalsContact CB-CE 3.47Å; S160-K228 PolarHBondContact OG-NZ 2.82Å
161L41.3Very low51.6Low109 Ų10992.1 Ų92.157%0.57155%0.552SS**SBendtrans-36.1116.8172.2-108.280.9000111.2Y175L161-Y175 HydrophobicContact CB-CD2 3.84Å; L161-Y175 HydrophobicContact CB-CE1 4.36Å; L161-Y175 HydrophobicContact CB-CE2 3.4Å; L161-Y175 VanDerWaalsContact CB-CE2 3.4Å; L161-Y175 HydrophobicContact CD1-CD2 4.08Å; L161-Y175 HydrophobicContact CD1-CE2 3.19Å; L161-Y175 HydrophobicContact CD2-CD2 4.16Å; L161-Y175 HydrophobicContact CD2-CE2 4.06Å; L161-Y175 HydrophobicContact CG-CD2 4.2Å; L161-Y175 HydrophobicContact CG-CE2 3.66Å; L161-Y175 VanDerWaalsContact N-CZ 3.27Å; L161-Y175 PolarHBondContact N-OH 2.91Å
162G34.5Very low49.4Very low63 Ų6397.6 Ų97.665%0.64959%0.585SS**  trans-166.751-179.800000109.7S160S160-G162 PolarHBondContact O-N 2.89Å
163I32.1Very low47.8Very low157 Ų15798.1 Ų98.181%0.80560%0.602SS**SBendtrans77.2113.3163.6-50.3166.2000114.5
164M28.6Very low46.6Very low175 Ų17598.9 Ų98.986%0.86261%0.608SS**  trans80.587.3168.8-51.7-129-176.900118.5
165A34.6Very low45.6Very low83 Ų8397.2 Ų97.269%0.68659%0.589SS**  trans-161.4103.2139.500000110.8S167A165-S167 PolarHBondContact O-N 3.09Å
166F29.8Very low45.3Very low205 Ų20593.7 Ų93.790%0.89958%0.58SS**  trans-60.3105.8164.8-77.1-110.6000109.5
167S32.6Very low45.8Very low98 Ų9898.9 Ų98.969%0.68560%0.601SS**  trans164.9112.414341.50000112.3A165A165-S167 PolarHBondContact O-N 3.09Å
168L30.2Very low46.6Very low180 Ų18093.4 Ų93.494%0.94257%0.572SS**SBendtrans47.895.7142.1-64.5130.1000118.4
169G30.5Very low47.9Very low86 Ų8697.7 Ų97.789%0.88761%0.607SS**SBendtrans172-20.8157.700000118.8
170G35.6Very low49.3Very low61 Ų6197.4 Ų97.463%0.62960%0.6SS**SBendtrans-152.8142.7176.800000110.8T172G170-T172 PolarHBondContact O-N 3.23Å
171K44.6Very low51.1Low172 Ų17295.7 Ų95.775%0.74859%0.589SS**  trans-61.3129.7-176.8-73177.8-179.9175.70109.9G173K171-G173 PolarHBondContact O-N 3.25Å
172T43Very low53.1Low137 Ų137100.1 Ų100.184%0.8460%0.598SS**THydrogen-bonded Turntrans-51.3105.9167.1450000109.4G170G170-T172 PolarHBondContact O-N 3.23Å
173G53.9Low55.2Low58 Ų5898.8 Ų98.860%0.59858%0.584SS**THydrogen-bonded Turntrans120.89.2173.400000118K171 Y175K171-G173 PolarHBondContact O-N 3.25Å; G173-Y175 PolarHBondContact O-N 3.24Å
174S58.2Low57.4Low17 Ų1798.4 Ų98.412%0.11958%0.578CS.*  trans-77.427.5178.563.40000115.1D219S174-D219 WeakPolarHBondContact CB-OD2 3.4Å
175Y62.2Low59.8Low58 Ų5890.2 Ų90.223%0.22754%0.538CS..EExtended strand (participates in β ladder)trans-101.6105.2177.6-66.8-97.1000107.6S160 L161 G173 I215S160-Y175 WeakPolarHBondContact CA-OH 3.45Å; L161-Y175 HydrophobicContact CB-CD2 3.84Å; L161-Y175 HydrophobicContact CB-CE1 4.36Å; L161-Y175 HydrophobicContact CB-CE2 3.4Å; L161-Y175 VanDerWaalsContact CB-CE2 3.4Å; L161-Y175 HydrophobicContact CD1-CD2 4.08Å; L161-Y175 HydrophobicContact CD1-CE2 3.19Å; L161-Y175 HydrophobicContact CD2-CD2 4.16Å; L161-Y175 HydrophobicContact CD2-CE2 4.06Å; L161-Y175 HydrophobicContact CG-CD2 4.2Å; L161-Y175 HydrophobicContact CG-CE2 3.66Å; L161-Y175 VanDerWaalsContact N-CZ 3.27Å; L161-Y175 PolarHBondContact N-OH 2.91Å; G173-Y175 PolarHBondContact O-N 3.24Å; Y175-I215 HydrophobicContact CD1-CG1 4.34Å; Y175-I215 HydrophobicContact CE1-CD1 4.11Å; Y175-I215 HydrophobicContact CE1-CG1 4.05Å
176V72.5Confident62.3Low72 Ų7289 Ų8944%0.43652%0.523SS..EExtended strand (participates in β ladder)trans-89.6129.2173-174.70000106.8C178 T213 V214V176-C178 PolarHBondContact O-N 2.86Å; V176-T213 WeakPolarHBondContact O-CA 3.25Å; V176-V214 PolarHBondContact N-O 3.5Å; V176-V214 PolarHBondContact O-N 2.77Å
177Q78.7Confident64.9Low143 Ų14383.9 Ų83.967%0.66850%0.497SS*.EExtended strand (participates in β ladder)trans-57133171.7-71.3-176.6-15.800108.6A179Q177-A179 PolarHBondContact O-N 3.18Å
178C80.9Confident67.3Low2 Ų283 Ų831%0.01449%0.487CS..  trans-60.1110.3-178-177.70000109.5V176 A180 C181 R182 C208 G212 V214V176-C178 PolarHBondContact O-N 2.86Å; C178-A180 PolarHBondContact O-N 3.19Å; C178-C181 WeakPolarHBondContact CB-SG 3.47Å; C178-C181 PolarHBondContact O-N 2.82Å; C178-C181 VanDerWaalsContact SG-SG 3.63Å; C178-R182 VanDerWaalsContact O-CA 3.26Å; C178-R182 WeakPolarHBondContact O-CA 3.49Å; C178-R182 PolarHBondContact O-N 3.04Å; C178-C208 HydrophobicContact CB-CB 3.74Å; C178-C208 VanDerWaalsContact SG-SG 3.64Å; C178-G212 VanDerWaalsContact CB-O 3.28Å; C178-G212 WeakPolarHBondContact CB-O 3.47Å; C178-G212 PolarHBondContact N-O 3.09Å; C178-V214 HydrophobicContact CB-CG2 3.77Å
179A83.9Confident69.8Low96 Ų9676.7 Ų76.779%0.79346%0.461SS*.THydrogen-bonded Turntrans-57-28.6-176.300000112.6Q177Q177-A179 PolarHBondContact O-N 3.18Å
180A83Confident72.3Confident30 Ų3076.9 Ų76.925%0.24845%0.445CS..THydrogen-bonded Turntrans-75.1-32-176.100000116.1C178 R187 D207C178-A180 PolarHBondContact O-N 3.19Å; A180-R187 PolarHBondContact O-NE 2.8Å; A180-R187 VanDerWaalsContact O-NE 3.1Å; A180-D207 HydrophobicContact CB-CB 3.96Å; A180-D207 WeakPolarHBondContact CB-OD2 3.4Å
181C82.7Confident74.6Confident8 Ų881.7 Ų81.75%0.05444%0.444CS..THydrogen-bonded Turntrans-121.53.2175.364.30000112.5C178 G183 H184 G185 C205 C208C178-C181 WeakPolarHBondContact CB-SG 3.47Å; C178-C181 PolarHBondContact O-N 2.82Å; C178-C181 VanDerWaalsContact SG-SG 3.63Å; C181-G183 PolarHBondContact O-N 3.32Å; C181-H184 VanDerWaalsContact O-CB 3.27Å; C181-H184 WeakPolarHBondContact O-CB 3.26Å; C181-H184 PolarHBondContact O-CD2 2.81Å; C181-H184 PolarHBondContact O-N 2.82Å; C181-G185 PolarHBondContact SG-N 2.82Å; C181-C205 HydrophobicContact CB-CB 3.77Å; C181-C208 PolarHBondContact SG-SG 2.99Å
182R82.4Confident76.3Confident202 Ų20281 Ų8176%0.76244%0.444SS*.THydrogen-bonded Turntrans49.440.1-178-57.5-179-178.7-175.4-0.2113C178C178-R182 VanDerWaalsContact O-CA 3.26Å; C178-R182 WeakPolarHBondContact O-CA 3.49Å; C178-R182 PolarHBondContact O-N 3.04Å
183G78.5Confident78Confident34 Ų3480 Ų8035%0.35143%0.433SS..THydrogen-bonded Turntrans88.5-8-178.700000115.6C181 G185 G212C181-G183 PolarHBondContact O-N 3.32Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G185 PolarHBondContact O-N 2.89Å; G183-G212 WeakPolarHBondContact CA-O 3.3Å
184H79Confident79.3Confident149 Ų14979 Ų7969%0.6942%0.423SS*.SBendtrans-78.3-12.8-175.3-65.6-64.1000114.8C181 V186C181-H184 VanDerWaalsContact O-CB 3.27Å; C181-H184 WeakPolarHBondContact O-CB 3.26Å; C181-H184 PolarHBondContact O-CD2 2.81Å; C181-H184 PolarHBondContact O-N 2.82Å; H184-V186 HydrophobicContact CB-CG2 4.49Å; H184-V186 PolarHBondContact O-N 2.83Å
185G78.7Confident80.1Confident3 Ų388 Ų883%0.03146%0.463CS..SBendtrans71.6-18.9-177.800000114.8C181 G183 C205 G210C181-G185 PolarHBondContact SG-N 2.82Å; G183-G185 VanDerWaalsContact C-N 3.34Å; G183-G185 PolarHBondContact O-N 2.89Å; G185-C205 VanDerWaalsContact O-CB 3.24Å; G185-C205 WeakPolarHBondContact O-CB 3.08Å; G185-C205 PolarHBondContact O-N 3.12Å; G185-G210 WeakPolarHBondContact O-CA 3.36Å
186V87.7Confident80.9Confident59 Ų5989.3 Ų89.336%0.35849%0.493SS..EExtended strand (participates in β ladder)trans-122.2149.4-179.2-65.60000112.2H184 T203H184-V186 HydrophobicContact CB-CG2 4.49Å; H184-V186 PolarHBondContact O-N 2.83Å; V186-T203 CarbonylContact C-O 3.56Å; V186-T203 WeakPolarHBondContact CA-O 3.5Å
187R84.2Confident81.1Confident96 Ų9692.4 Ų92.436%0.36251%0.505SS..EExtended strand (participates in β ladder)trans-112.2130.3167.8-75.8-175.9171.7158.3-5.1108.9A180 T203 C205 D207A180-R187 PolarHBondContact O-NE 2.8Å; A180-R187 VanDerWaalsContact O-NE 3.1Å; R187-T203 PolarHBondContact N-O 3.14Å; R187-T203 PolarHBondContact O-N 3.13Å; R187-T203 PolarHBondContact O-OG1 3.24Å; R187-C205 HydrophobicContact CG-CB 4.33Å; R187-D207 IonicContact CZ-OD2 3.53Å; R187-D207 IonicContact NH1-OD2 2.84Å; R187-D207 IonicContact NH2-OD2 3.01Å; R187-D207 PolarHBondContact NH2-OD2 2.92Å
188V83.5Confident81.3Confident79 Ų7989.9 Ų89.948%0.47950%0.499SS..EExtended strand (participates in β ladder)trans-86.8111.1175.5-172.80000108.1Q200 Q202V188-Q200 HydrophobicContact CG1-CB 3.81Å; V188-Q200 HydrophobicContact CG1-CG 4.19Å; V188-Q202 HydrophobicContact CG2-CG 4.39Å
189A82.1Confident81.4Confident48 Ų4894.3 Ų94.340%0.39752%0.52SS..EExtended strand (participates in β ladder)trans-99.6123.6173.700000109.1I201A189-I201 PolarHBondContact N-O 2.87Å; A189-I201 PolarHBondContact O-N 3.08Å
190V82.6Confident81.4Confident90 Ų9096.3 Ų96.355%0.54551%0.512SS..EExtended strand (participates in β ladder)trans-88.1116.1176.7-171.90000108.7V198 Q200V190-V198 HydrophobicContact CG1-CB 3.65Å; V190-V198 HydrophobicContact CG1-CG1 3.85Å; V190-V198 HydrophobicContact CG1-CG2 4.44Å; V190-Q200 HydrophobicContact CG2-CG 4.34Å
191R83.4Confident81.4Confident162 Ų16297.7 Ų97.761%0.61152%0.515SS*.EExtended strand (participates in β ladder)trans-105.1120.3174.7-171.2175.4-177177.10.2109.3Q199 I201R191-Q199 PolarHBondContact N-O 2.74Å; R191-Q199 PolarHBondContact O-N 3.2Å; R191-I201 HydrophobicContact CB-CD1 4.03Å
192Q81.8Confident81.5Confident157 Ų157104.1 Ų104.173%0.73454%0.544SS*.EExtended strand (participates in β ladder)trans-75122.9171.2-76.7176.15.300109.2V198Q192-V198 HydrophobicContact CG-CG1 3.75Å
193L78.1Confident81.7Confident116 Ų11697.8 Ų97.861%0.60753%0.528SS*.EExtended strand (participates in β ladder)trans-95.3-10.4176-78.5153.4000112.2M197 Q199L193-M197 PolarHBondContact N-O 3.43Å; L193-Q199 HydrophobicContact CD1-CB 3.52Å; L193-Q199 HydrophobicContact CD1-CG 4.39Å; L193-Q199 HydrophobicContact CG-CB 4.48Å
194G81Confident82Confident38 Ų3899.1 Ų99.139%0.39254%0.536SS..EExtended strand (participates in β ladder)trans165.1-175.7-179.800000111.9G196 M197G194-G196 PolarHBondContact O-N 2.86Å; G194-M197 PolarHBondContact O-N 3.03Å
195H76.2Confident82.2Confident206 Ų20692 Ų9295%0.95450%0.503SS*.THydrogen-bonded Turntrans-60.3111.3178.3-60.598.4000110.5
196G78.7Confident82.4Confident85 Ų85100 Ų10088%0.87654%0.537SS*.THydrogen-bonded Turntrans85.8-2.4178.300000116.3G194G194-G196 PolarHBondContact O-N 2.86Å
197M75.4Confident82.1Confident138 Ų138101.6 Ų101.668%0.6854%0.543SS*.EExtended strand (participates in β ladder)trans-116.2112.8-178.4-66.4-174.8-178.300112L193 G194L193-M197 PolarHBondContact N-O 3.43Å; G194-M197 PolarHBondContact O-N 3.03Å
198V83.9Confident81.7Confident90 Ų9097.5 Ų97.555%0.54553%0.529SS..EExtended strand (participates in β ladder)trans-111.1128.4173.9-70.40000110.2V190 Q192V190-V198 HydrophobicContact CG1-CB 3.65Å; V190-V198 HydrophobicContact CG1-CG1 3.85Å; V190-V198 HydrophobicContact CG1-CG2 4.44Å; Q192-V198 HydrophobicContact CG-CG1 3.75Å
199Q82.9Confident81.2Confident95 Ų95100.5 Ų100.544%0.44454%0.542SS..EExtended strand (participates in β ladder)trans-104.2126.6169.7-177.8179.238.600109.1R191 L193 I201R191-Q199 PolarHBondContact N-O 2.74Å; R191-Q199 PolarHBondContact O-N 3.2Å; L193-Q199 HydrophobicContact CD1-CB 3.52Å; L193-Q199 HydrophobicContact CD1-CG 4.39Å; L193-Q199 HydrophobicContact CG-CB 4.48Å; Q199-I201 HydrophobicContact CG-CG1 4.16Å
200Q83.3Confident80.8Confident137 Ų137100.1 Ų100.164%0.6454%0.543SS*.EExtended strand (participates in β ladder)trans-86.3112.6171.8-64.2-171.7-0.800108.9V188 V190V188-Q200 HydrophobicContact CG1-CB 3.81Å; V188-Q200 HydrophobicContact CG1-CG 4.19Å; V190-Q200 HydrophobicContact CG2-CG 4.34Å
201I83.4Confident80.4Confident60 Ų60100.1 Ų100.131%0.30854%0.537SS..EExtended strand (participates in β ladder)trans-100.4116.8175.8-56.8175.8000107.6A189 R191 Q199 T203A189-I201 PolarHBondContact N-O 2.87Å; A189-I201 PolarHBondContact O-N 3.08Å; R191-I201 HydrophobicContact CB-CD1 4.03Å; Q199-I201 HydrophobicContact CG-CG1 4.16Å; I201-T203 HydrophobicContact CG2-CG2 4.22Å; I201-T203 PolarHBondContact O-N 2.96Å
202Q85.6Confident79.9Confident142 Ų14292.7 Ų92.766%0.66451%0.511SS*.EExtended strand (participates in β ladder)trans-79.6118.7170.9-60-172.84.100108.5V188V188-Q202 HydrophobicContact CG2-CG 4.39Å
203T86.4Confident79.7Confident69 Ų6987.2 Ų87.242%0.42349%0.488SS..EExtended strand (participates in β ladder)trans-115.4143.1174.934.40000109.5V186 R187 I201 C205V186-T203 CarbonylContact C-O 3.56Å; V186-T203 WeakPolarHBondContact CA-O 3.5Å; R187-T203 PolarHBondContact N-O 3.14Å; R187-T203 PolarHBondContact O-N 3.13Å; R187-T203 PolarHBondContact O-OG1 3.24Å; I201-T203 HydrophobicContact CG2-CG2 4.22Å; I201-T203 PolarHBondContact O-N 2.96Å; T203-C205 PolarHBondContact O-N 3.21Å
204A85.2Confident79.6Confident63 Ų6383.7 Ų83.752%0.52147%0.471SS..EExtended strand (participates in β ladder)trans-56.3134.3173.200000109.8K206A204-K206 PolarHBondContact O-N 3.49Å
205C83.2Confident79.2Confident0 Ų083.1 Ų83.10%046%0.459CS..  trans-63.2124.2-178.6-178.20000109.5C181 G185 R187 T203 D207 C208 L209C181-C205 HydrophobicContact CB-CB 3.77Å; G185-C205 VanDerWaalsContact O-CB 3.24Å; G185-C205 WeakPolarHBondContact O-CB 3.08Å; G185-C205 PolarHBondContact O-N 3.12Å; R187-C205 HydrophobicContact CG-CB 4.33Å; T203-C205 PolarHBondContact O-N 3.21Å; C205-D207 PolarHBondContact O-N 2.75Å; C205-D207 VanDerWaalsContact O-N 3.16Å; C205-C208 VanDerWaalsContact CB-SG 3.56Å; C205-C208 PolarHBondContact O-N 3.4Å; C205-L209 VanDerWaalsContact O-CA 3.26Å; C205-L209 WeakPolarHBondContact O-CA 3.29Å; C205-L209 PolarHBondContact O-N 3.2Å
206K82.4Confident79Confident171 Ų17177.4 Ų77.474%0.74344%0.435SS*.THydrogen-bonded Turntrans-59.2-28.8-177.7-62.9-176.9178.6-176.90113.4A204A204-K206 PolarHBondContact O-N 3.49Å
207D80.6Confident78.8Confident91 Ų9180.7 Ų80.749%0.48743%0.428SS..THydrogen-bonded Turntrans-87.3-27.5-171.7-55.3-42.3000112.9A180 R187 C205A180-D207 HydrophobicContact CB-CB 3.96Å; A180-D207 WeakPolarHBondContact CB-OD2 3.4Å; R187-D207 IonicContact CZ-OD2 3.53Å; R187-D207 IonicContact NH1-OD2 2.84Å; R187-D207 IonicContact NH2-OD2 3.01Å; R187-D207 PolarHBondContact NH2-OD2 2.92Å; C205-D207 PolarHBondContact O-N 2.75Å; C205-D207 VanDerWaalsContact O-N 3.16Å
208C75.2Confident78.5Confident10 Ų1083.6 Ų83.67%0.06844%0.437CS..THydrogen-bonded Turntrans-118.32175.6650000114.5C178 C181 C205 G210 E211 G212 T213 V214C178-C208 HydrophobicContact CB-CB 3.74Å; C178-C208 VanDerWaalsContact SG-SG 3.64Å; C181-C208 PolarHBondContact SG-SG 2.99Å; C205-C208 VanDerWaalsContact CB-SG 3.56Å; C205-C208 PolarHBondContact O-N 3.4Å; C208-G210 PolarHBondContact O-N 3.26Å; C208-E211 WeakPolarHBondContact O-CB 3.25Å; C208-E211 WeakPolarHBondContact O-CG 3.41Å; C208-E211 PolarHBondContact O-N 3.04Å; C208-G212 PolarHBondContact SG-N 2.89Å; C208-T213 WeakPolarHBondContact CB-O 3.41Å; C208-V214 HydrophobicContact CB-CG2 3.91Å
209L73.9Confident77.9Confident142 Ų14282.6 Ų82.674%0.74343%0.429SS*.THydrogen-bonded Turntrans49.932.7-179.5-60.4172.9000114.2C205C205-L209 VanDerWaalsContact O-CA 3.26Å; C205-L209 WeakPolarHBondContact O-CA 3.29Å; C205-L209 PolarHBondContact O-N 3.2Å
210G74.5Confident77.4Confident41 Ų4182.9 Ų82.942%0.42343%0.426SS..THydrogen-bonded Turntrans95.6-11.2-177.700000115.4G185 C208 G212G185-G210 WeakPolarHBondContact O-CA 3.36Å; C208-G210 PolarHBondContact O-N 3.26Å; G210-G212 VanDerWaalsContact C-N 3.34Å; G210-G212 PolarHBondContact O-N 3.04Å
211E72.6Confident76.9Confident90 Ų9077.9 Ų77.942%0.42141%0.405SS..SBendtrans-78.1-14.6-174.2-59.6-160.9157.200114.4C208 T213 K228C208-E211 WeakPolarHBondContact O-CB 3.25Å; C208-E211 WeakPolarHBondContact O-CG 3.41Å; C208-E211 PolarHBondContact O-N 3.04Å; E211-T213 PolarHBondContact O-N 3.35Å; E211-K228 WeakPolarHBondContact OE1-CE 3.41Å; E211-K228 IonicContact OE1-NZ 2.89Å; E211-K228 PolarHBondContact OE1-NZ 2.89Å; E211-K228 WeakPolarHBondContact OE2-CE 3.29Å; E211-K228 IonicContact OE2-NZ 3.99Å; E211-K228 PolarHBondContact OE2-NZ 3.29Å
212G73.9Confident76.8Confident5 Ų584.5 Ų84.55%0.05243%0.432CS..SBendtrans71.9-16-179.200000115C178 G183 C208 G210C178-G212 VanDerWaalsContact CB-O 3.28Å; C178-G212 WeakPolarHBondContact CB-O 3.47Å; C178-G212 PolarHBondContact N-O 3.09Å; G183-G212 WeakPolarHBondContact CA-O 3.3Å; C208-G212 PolarHBondContact SG-N 2.89Å; G210-G212 VanDerWaalsContact C-N 3.34Å; G210-G212 PolarHBondContact O-N 3.04Å
213T77.6Confident76.4Confident43 Ų4382 Ų8226%0.26442%0.42SS..EExtended strand (participates in β ladder)trans-120150.4175.956.10000110.4V176 C208 E211V176-T213 WeakPolarHBondContact O-CA 3.25Å; C208-T213 WeakPolarHBondContact CB-O 3.41Å; E211-T213 PolarHBondContact O-N 3.35Å
214V75.2Confident75.9Confident41 Ų4179.1 Ų79.125%0.24840%0.402CS..EExtended strand (participates in β ladder)trans-123.3138.9175.4-179.80000107.7V176 C178 C208V176-V214 PolarHBondContact N-O 3.5Å; V176-V214 PolarHBondContact O-N 2.77Å; C178-V214 HydrophobicContact CB-CG2 3.77Å; C208-V214 HydrophobicContact CB-CG2 3.91Å
215I73.2Confident75.5Confident27 Ų2783 Ų8314%0.13841%0.41CS..EExtended strand (participates in β ladder)trans-98125.5174.3-55.3171.6000107.5Y175 D219 R220Y175-I215 HydrophobicContact CD1-CG1 4.34Å; Y175-I215 HydrophobicContact CE1-CD1 4.11Å; Y175-I215 HydrophobicContact CE1-CG1 4.05Å; I215-D219 HydrophobicContact CG2-CB 4.02Å; I215-R220 HydrophobicContact CB-CG 4.3Å; I215-R220 HydrophobicContact CG2-CG 4Å; I215-R220 PolarHBondContact O-NE 2.68Å
216D72.9Confident75Confident85 Ų8584 Ų8446%0.45542%0.42SS..  trans-55.7141.3173.1-78.1-37.6000110.4K218 D219 R220D216-K218 PolarHBondContact O-N 2.97Å; D216-D219 PolarHBondContact O-N 2.92Å; D216-R220 PolarHBondContact O-N 2.73Å
217E74.3Confident74.5Confident155 Ų15581.1 Ų81.172%0.72441%0.413SS*.THydrogen-bonded Turntrans-54-30.8-173.9-66-176.5165.100113.5D219E217-D219 VanDerWaalsContact C-N 3.33Å; E217-D219 PolarHBondContact O-N 2.96Å
218K69.6Low74.3Confident199 Ų19977.4 Ų77.487%0.86539%0.392SS*.THydrogen-bonded Turntrans-69.5-29.9180-61.3178.6-176.2175.30113.1D216D216-K218 PolarHBondContact O-N 2.97Å
219D70.9Confident74.8Confident69 Ų6980.3 Ų80.337%0.36940%0.402SS..THydrogen-bonded Turntrans-100.9-0.6-176.3-64.3-36.4000112.2S174 I215 D216 E217 C221S174-D219 WeakPolarHBondContact CB-OD2 3.4Å; I215-D219 HydrophobicContact CG2-CB 4.02Å; D216-D219 PolarHBondContact O-N 2.92Å; E217-D219 VanDerWaalsContact C-N 3.33Å; E217-D219 PolarHBondContact O-N 2.96Å; D219-C221 PolarHBondContact O-N 3.49Å
220R71.7Confident75.6Confident101 Ų10175.9 Ų75.938%0.38138%0.379SS..SBendtrans-64.7131.9172.2-67-176.7-169.4174.16.3109.7I215 D216 K222I215-R220 HydrophobicContact CB-CG 4.3Å; I215-R220 HydrophobicContact CG2-CG 4Å; I215-R220 PolarHBondContact O-NE 2.68Å; D216-R220 PolarHBondContact O-N 2.73Å; R220-K222 PolarHBondContact O-N 3.01Å
221C73.5Confident76.4Confident31 Ų3178.4 Ų78.421%0.20939%0.386CS..  trans-59.3127.3174.6171.80000110C156 D219 Q223 C224 Q225C156-C221 HydrophobicContact CB-CB 4.48Å; D219-C221 PolarHBondContact O-N 3.49Å; C221-Q223 PolarHBondContact O-N 3.01Å; C221-Q223 VanDerWaalsContact O-N 3.13Å; C221-C224 VanDerWaalsContact CB-SG 3.53Å; C221-C224 PolarHBondContact O-N 2.79Å; C221-Q225 VanDerWaalsContact O-CA 3.27Å; C221-Q225 WeakPolarHBondContact O-CA 3.47Å; C221-Q225 PolarHBondContact O-N 2.82Å
222K80.2Confident77.3Confident199 Ų19978.9 Ų78.987%0.86539%0.388SS*.THydrogen-bonded Turntrans-59.7-26.5-176.6-62.5-178.1-179.8-178.90113.9R220R220-K222 PolarHBondContact O-N 3.01Å
223Q77.2Confident78.2Confident91 Ų9181.2 Ų81.243%0.42541%0.407SS..THydrogen-bonded Turntrans-87.3-40.9-178-72.8-173.1-33.800113.8K155 C221 I230K155-Q223 VanDerWaalsContact CD-CD 3.44Å; K155-Q223 HydrophobicContact CD-CG 4Å; C221-Q223 PolarHBondContact O-N 3.01Å; C221-Q223 VanDerWaalsContact O-N 3.13Å; Q223-I230 HydrophobicContact CB-CD1 3.66Å
224C77Confident78.8Confident7 Ų782.3 Ų82.35%0.04741%0.408CS..THydrogen-bonded Turntrans-100.3-6.8-179.368.50000113.5C153 C221 G226 N227 R229 I230C153-C224 HydrophobicContact CB-CB 3.93Å; C221-C224 VanDerWaalsContact CB-SG 3.53Å; C221-C224 PolarHBondContact O-N 2.79Å; C224-G226 PolarHBondContact O-N 2.93Å; C224-N227 VanDerWaalsContact O-CB 3.28Å; C224-N227 WeakPolarHBondContact O-CB 3.44Å; C224-N227 PolarHBondContact O-N 3.39Å; C224-R229 WeakPolarHBondContact CB-O 3.41Å; C224-I230 HydrophobicContact CB-CG1 4.14Å
225Q76.6Confident79.6Confident144 Ų14484.8 Ų84.867%0.67342%0.42SS*.THydrogen-bonded Turntrans51.726.7-177.2-60.1-177.1-6.800113.9C221C221-Q225 VanDerWaalsContact O-CA 3.27Å; C221-Q225 WeakPolarHBondContact O-CA 3.47Å; C221-Q225 PolarHBondContact O-N 2.82Å
226G71.6Confident80.5Confident22 Ų2284 Ų8423%0.22742%0.416CS..THydrogen-bonded Turntrans97.4-8.5-176.400000115.2C224 K228C224-G226 PolarHBondContact O-N 2.93Å; G226-K228 PolarHBondContact O-N 3.35Å
227N72.8Confident81.5Confident110 Ų11084.9 Ų84.959%0.58842%0.417SS*.SBendtrans-77-2.4-177.2-63.7-26.8000114.6C224 R229C224-N227 VanDerWaalsContact O-CB 3.28Å; C224-N227 WeakPolarHBondContact O-CB 3.44Å; C224-N227 PolarHBondContact O-N 3.39Å; N227-R229 PolarHBondContact O-N 2.81Å
228K76.4Confident82.5Confident13 Ų1377.5 Ų77.56%0.05738%0.382CS..SBendtrans60.5-6.2-179.1-56169.9-168.9167.80115.6C153 S160 E211 G226 P260C153-K228 WeakPolarHBondContact CB-O 3.45Å; C153-K228 PolarHBondContact N-O 3.45Å; S160-K228 VanDerWaalsContact CB-CE 3.47Å; S160-K228 PolarHBondContact OG-NZ 2.82Å; E211-K228 WeakPolarHBondContact OE1-CE 3.41Å; E211-K228 IonicContact OE1-NZ 2.89Å; E211-K228 PolarHBondContact OE1-NZ 2.89Å; E211-K228 WeakPolarHBondContact OE2-CE 3.29Å; E211-K228 IonicContact OE2-NZ 3.99Å; E211-K228 PolarHBondContact OE2-NZ 3.29Å; G226-K228 PolarHBondContact O-N 3.35Å; K228-P260 HydrophobicContact CB-CG 3.97Å; K228-P260 HydrophobicContact CD-CG 4.37Å
229R86.1Confident83.6Confident72 Ų7272.6 Ų72.627%0.27237%0.366SS..EExtended strand (participates in β ladder)trans-130.6152.6-174.4-68.1168.2-106.9-131.81.2110.6V151 C224 N227 E259V151-R229 CarbonylContact O-C 3.6Å; V151-R229 VanDerWaalsContact O-CA 3.29Å; V151-R229 WeakPolarHBondContact O-CA 3.45Å; C224-R229 WeakPolarHBondContact CB-O 3.41Å; N227-R229 PolarHBondContact O-N 2.81Å; R229-E259 IonicContact CZ-OE1 3.4Å; R229-E259 VanDerWaalsContact NH1-CA 3.34Å; R229-E259 IonicContact NH1-OE1 2.77Å; R229-E259 PolarHBondContact NH1-OE1 3.26Å; R229-E259 IonicContact NH1-OE2 3.25Å
230I89.4Confident84.7Confident49 Ų4969.6 Ų69.625%0.25135%0.35SS..EExtended strand (participates in β ladder)trans-131.7142.8173.5-60.7173.3000107.5V151 C153 Q223 C224V151-I230 PolarHBondContact N-O 3.49Å; V151-I230 PolarHBondContact O-N 2.87Å; C153-I230 HydrophobicContact CB-CD1 3.92Å; C153-I230 HydrophobicContact CB-CG1 3.96Å; Q223-I230 HydrophobicContact CB-CD1 3.66Å; C224-I230 HydrophobicContact CB-CG1 4.14Å
231T91.9Very high85.7Confident94 Ų9470.1 Ų70.158%0.57736%0.36SS*.EExtended strand (participates in β ladder)trans-80.2119.7171-54.50000109.5N148 K149N148-T231 HydrophobicContact CB-CG2 3.91Å; K149-T231 CarbonylContact O-C 3.57Å; K149-T231 WeakPolarHBondContact O-CA 3.47Å
232E91.2Very high86.6Confident99 Ų9971.5 Ų71.546%0.46337%0.368SS..EExtended strand (participates in β ladder)trans-115.1131.5177.1-171.2-179.7-166.200109.5K149 V151K149-E232 WeakPolarHBondContact CG-O 3.35Å; K149-E232 PolarHBondContact N-O 3.4Å; K149-E232 PolarHBondContact O-N 2.79Å; V151-E232 HydrophobicContact CG2-CB 3.98Å; V151-E232 WeakPolarHBondContact CG2-OE2 3.44Å
233A92.5Very high87.2Confident55 Ų5562 Ų6246%0.45533%0.327SS..EExtended strand (participates in β ladder)trans-84.1115173.600000109.6Q146 L147Q146-A233 HydrophobicContact CG-CB 4.29Å; L147-A233 CarbonylContact O-C 3.55Å; L147-A233 WeakPolarHBondContact O-CA 3.24Å
234K91Very high87.9Confident66 Ų6658.4 Ų58.429%0.28731%0.31SS..EExtended strand (participates in β ladder)trans-111.5135.2175.6-178168.7177.7175.60110.2L147 K149 L236 E255L147-K234 PolarHBondContact N-O 3.42Å; L147-K234 PolarHBondContact O-N 3.05Å; K149-K234 HydrophobicContact CD-CB 4.4Å; K149-K234 HydrophobicContact CD-CD 4.43Å; K149-K234 HydrophobicContact CG-CB 4.5Å; K234-L236 HydrophobicContact CD-CD2 4.21Å; K234-L236 HydrophobicContact CG-CD2 4.29Å; K234-E255 WeakPolarHBondContact CD-OE2 3.4Å; K234-E255 WeakPolarHBondContact CE-OE2 3.34Å; K234-E255 IonicContact NZ-OE1 2.75Å; K234-E255 PolarHBondContact NZ-OE1 3.18Å; K234-E255 IonicContact NZ-OE2 3.98Å; K234-E255 PolarHBondContact NZ-OE2 3.07Å
235L92Very high88.6Confident92 Ų9262.8 Ų62.848%0.48233%0.33SS..EExtended strand (participates in β ladder)trans-91117.4172.9-168.4146.5000108.7K144 E237K144-L235 HydrophobicContact CB-CD1 4.31Å; K144-L235 HydrophobicContact CB-CD2 3.98Å; K144-L235 HydrophobicContact CB-CG 4.26Å; K144-L235 HydrophobicContact CD-CD1 4.46Å; K144-L235 HydrophobicContact CD-CD2 4.03Å; K144-L235 HydrophobicContact CG-CD2 4.02Å; L235-E237 HydrophobicContact CD2-CG 3.95Å
236L91.8Very high89.2Confident12 Ų1258.6 Ų58.66%0.06332%0.316CS..EExtended strand (participates in β ladder)trans-100.3132.4172.2-65.8-174.9000109.5L145 L147 K234 F252 E255 V267L145-L236 PolarHBondContact N-O 3.37Å; L145-L236 PolarHBondContact O-N 3.16Å; L147-L236 HydrophobicContact CD1-CD1 3.45Å; L147-L236 VanDerWaalsContact CD1-CD1 3.45Å; L147-L236 HydrophobicContact CD1-CG 4.25Å; L147-L236 HydrophobicContact CG-CD1 4.37Å; K234-L236 HydrophobicContact CD-CD2 4.21Å; K234-L236 HydrophobicContact CG-CD2 4.29Å; L236-F252 HydrophobicContact CD1-CD1 4.39Å; L236-F252 HydrophobicContact CD1-CD2 4.35Å; L236-F252 HydrophobicContact CD1-CG 4.17Å; L236-F252 HydrophobicContact CD2-CD1 4.5Å; L236-E255 HydrophobicContact CD2-CG 4.5Å; L236-V267 HydrophobicContact CD1-CG1 4.19Å
237E94.3Very high90.2Very high102 Ų10262.8 Ų62.848%0.47733%0.334SS..EExtended strand (participates in β ladder)trans-93.4117.3173-59.4-166.7152.200108.9V142 K144 L235V142-E237 HydrophobicContact CG1-CB 4.48Å; K144-E237 WeakPolarHBondContact CE-OE1 3.31Å; K144-E237 HydrophobicContact CG-CG 4.39Å; K144-E237 IonicContact NZ-OE1 3.72Å; K144-E237 PolarHBondContact NZ-OE1 2.84Å; L235-E237 HydrophobicContact CD2-CG 3.95Å
238V94.4Very high91.2Very high0 Ų061.1 Ų61.10%032%0.323CS..EExtended strand (participates in β ladder)trans-106.1110.7-176.6-1700000108.3L130 A143 L145 I240 I250 F252 I269L130-V238 HydrophobicContact CD2-CB 4.35Å; L130-V238 HydrophobicContact CD2-CG1 4.02Å; A143-V238 HydrophobicContact CB-CB 4.48Å; A143-V238 PolarHBondContact N-O 3.24Å; A143-V238 PolarHBondContact O-N 2.77Å; L145-V238 HydrophobicContact CB-CG2 4.26Å; V238-I240 PolarHBondContact O-N 3.4Å; V238-I250 HydrophobicContact CG1-CD1 3.58Å; V238-F252 HydrophobicContact CG2-CE2 4.23Å; V238-F252 HydrophobicContact CG2-CZ 4.16Å; V238-I269 HydrophobicContact CB-CD1 4.33Å; V238-I269 HydrophobicContact CG1-CD1 4.1Å; V238-I269 HydrophobicContact CG1-CG2 4.48Å; V238-I269 HydrophobicContact CG2-CD1 3.27Å
239N93.5Very high92Very high97 Ų9767.5 Ų67.552%0.51935%0.35SS..EExtended strand (participates in β ladder)trans-87.5106.1178.6-63.2-20.8000109.4
240I93.6Very high92.4Very high6 Ų665.6 Ų65.63%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-88.8111.2174.3-54.4166.8000107L130 V132 L137 G140 K141 A143 V238 M244 L271L130-I240 HydrophobicContact CD2-CD1 4Å; L130-I240 HydrophobicContact CD2-CG1 4.46Å; V132-I240 HydrophobicContact CG1-CD1 3.95Å; V132-I240 HydrophobicContact CG2-CD1 3.64Å; L137-I240 HydrophobicContact CD2-CG2 3.86Å; G140-I240 VanDerWaalsContact CA-O 3.29Å; G140-I240 WeakPolarHBondContact CA-O 3.38Å; K141-I240 HydrophobicContact CB-CD1 4.41Å; K141-I240 PolarHBondContact N-O 2.95Å; K141-I240 VanDerWaalsContact O-CB 3.3Å; K141-I240 WeakPolarHBondContact O-CB 3.29Å; K141-I240 PolarHBondContact O-N 2.81Å; A143-I240 HydrophobicContact CB-CD1 4.32Å; V238-I240 PolarHBondContact O-N 3.4Å; I240-M244 HydrophobicContact CG2-SD 4.16Å; I240-L271 HydrophobicContact CG1-CD2 4.28Å; I240-L271 HydrophobicContact CG2-CD1 4.24Å
241L93.1Very high92.6Very high112 Ų11265.8 Ų65.859%0.58635%0.349SS*.  trans-77149.6179.1-60.4176.6000110.9G243 M244L241-G243 PolarHBondContact O-N 2.99Å; L241-M244 HydrophobicContact CB-CG 3.93Å; L241-M244 HydrophobicContact CB-SD 4.03Å; L241-M244 HydrophobicContact CG-SD 4.47Å; L241-M244 PolarHBondContact N-SD 3.18Å; L241-M244 VanDerWaalsContact O-CG 3.26Å; L241-M244 WeakPolarHBondContact O-CG 3.27Å; L241-M244 PolarHBondContact O-N 3.45Å
242P92.4Very high92.7Very high60 Ų6063.5 Ų63.539%0.3933%0.331SS..THydrogen-bonded Turntrans-55.1131.2171.6-25.335000111.1L137 P337L137-P242 WeakPolarHBondContact O-CA 3.48Å; P242-P337 HydrophobicContact CB-CB 4.31Å; P242-P337 HydrophobicContact CB-CG 3.84Å
243G91.7Very high92.7Very high0 Ų067.6 Ų67.60%034%0.343CS..THydrogen-bonded Turntrans89.2-4.3173.900000115.1L137 L241 R281 P337 P339L137-G243 PolarHBondContact O-N 3.41Å; L241-G243 PolarHBondContact O-N 2.99Å; G243-R281 PolarHBondContact O-NH2 2.89Å; G243-P337 WeakPolarHBondContact CA-O 3.23Å; G243-P339 WeakPolarHBondContact O-CG 3.36Å
244M93Very high92.6Very high14 Ų1466.5 Ų66.57%0.06934%0.337CS..PPolyproline II helixtrans-52.5143.2175.1-75.3-172.181.400111.7L137 I240 L241 E248 I250 L271 R281L137-M244 HydrophobicContact CD2-CB 4.33Å; I240-M244 HydrophobicContact CG2-SD 4.16Å; L241-M244 HydrophobicContact CB-CG 3.93Å; L241-M244 HydrophobicContact CB-SD 4.03Å; L241-M244 HydrophobicContact CG-SD 4.47Å; L241-M244 PolarHBondContact N-SD 3.18Å; L241-M244 VanDerWaalsContact O-CG 3.26Å; L241-M244 WeakPolarHBondContact O-CG 3.27Å; L241-M244 PolarHBondContact O-N 3.45Å; M244-E248 VanDerWaalsContact CA-OE2 3.29Å; M244-E248 WeakPolarHBondContact CA-OE2 3.48Å; M244-E248 WeakPolarHBondContact CB-OE2 3.39Å; M244-E248 HydrophobicContact CE-CB 4.22Å; M244-E248 VanDerWaalsContact CE-CD 3.41Å; M244-E248 HydrophobicContact CE-CG 3.76Å; M244-I250 HydrophobicContact CE-CD1 3.87Å; M244-I250 HydrophobicContact CE-CG1 3.78Å; M244-I250 HydrophobicContact SD-CD1 4.35Å; M244-L271 HydrophobicContact CB-CD1 3.95Å; M244-L271 HydrophobicContact CE-CD1 3.56Å; M244-L271 HydrophobicContact SD-CD1 3.88Å; M244-R281 PolarHBondContact O-NH1 3.36Å; M244-R281 PolarHBondContact O-NH2 2.89Å
245Q91.5Very high92.6Very high99 Ų9965.6 Ų65.646%0.46333%0.334SS..PPolyproline II helixtrans-89.3156.8-174.6-66.4-175.7-8.600112.1N247 E248Q245-N247 PolarHBondContact O-N 3.11Å; Q245-E248 PolarHBondContact N-OE2 3.36Å; Q245-E248 VanDerWaalsContact O-CB 3.25Å; Q245-E248 WeakPolarHBondContact O-CB 3.29Å; Q245-E248 PolarHBondContact O-N 3.2Å
246S89.9Confident92.4Very high56 Ų5661.3 Ų61.339%0.39231%0.312SS..THydrogen-bonded Turntrans-61.2138.2166.8-67.20000109.9E248S246-E248 VanDerWaalsContact C-N 3.26Å; S246-E248 PolarHBondContact O-N 3.26Å
247N92Very high92.4Very high111 Ų11163.3 Ų63.359%0.59432%0.323SS*.THydrogen-bonded Turntrans69.810.1-174.6-51.6-52.7000116Q245 L271Q245-N247 PolarHBondContact O-N 3.11Å; N247-L271 VanDerWaalsContact CA-O 3.25Å; N247-L271 WeakPolarHBondContact CA-O 3.48Å; N247-L271 PolarHBondContact N-O 2.93Å
248E92.8Very high92.1Very high75 Ų7560.7 Ų60.735%0.3531%0.31SS..  trans-65.9142.1170.3-167.2167.9177.100110.8M244 Q245 S246 L271M244-E248 VanDerWaalsContact CA-OE2 3.29Å; M244-E248 WeakPolarHBondContact CA-OE2 3.48Å; M244-E248 WeakPolarHBondContact CB-OE2 3.39Å; M244-E248 HydrophobicContact CE-CB 4.22Å; M244-E248 VanDerWaalsContact CE-CD 3.41Å; M244-E248 HydrophobicContact CE-CG 3.76Å; Q245-E248 PolarHBondContact N-OE2 3.36Å; Q245-E248 VanDerWaalsContact O-CB 3.25Å; Q245-E248 WeakPolarHBondContact O-CB 3.29Å; Q245-E248 PolarHBondContact O-N 3.2Å; S246-E248 VanDerWaalsContact C-N 3.26Å; S246-E248 PolarHBondContact O-N 3.26Å; E248-L271 PolarHBondContact O-N 3.24Å
249K94.1Very high91.6Very high146 Ų14664.8 Ų64.864%0.63533%0.33SS*.EExtended strand (participates in β ladder)trans-107.1121-172.3-61.5-176.1-179.4179.40110.5V268 I269 V270K249-V268 HydrophobicContact CB-CG1 4Å; K249-V268 HydrophobicContact CD-CG1 4.05Å; K249-V268 HydrophobicContact CG-CG1 4.16Å; K249-I269 WeakPolarHBondContact CA-O 3.44Å; K249-V270 HydrophobicContact CG-CG2 4.33Å
250I93.5Very high91Very high33 Ų3362.1 Ų62.117%0.16932%0.317CS..EExtended strand (participates in β ladder)trans-101.1117.4170.7-55.9172.2000107.5V238 M244 F252 I269 L271V238-I250 HydrophobicContact CG1-CD1 3.58Å; M244-I250 HydrophobicContact CE-CD1 3.87Å; M244-I250 HydrophobicContact CE-CG1 3.78Å; M244-I250 HydrophobicContact SD-CD1 4.35Å; I250-F252 HydrophobicContact CG2-CD2 4.4Å; I250-F252 HydrophobicContact CG2-CE2 3.73Å; I250-F252 HydrophobicContact CG2-CZ 4.24Å; I250-I269 HydrophobicContact CB-CB 4.36Å; I250-I269 PolarHBondContact N-O 2.92Å; I250-I269 PolarHBondContact O-N 3.04Å; I250-L271 HydrophobicContact CD1-CD1 4.39Å; I250-L271 HydrophobicContact CD1-CD2 4.09Å; I250-L271 HydrophobicContact CD1-CG 4.38Å
251V94.5Very high90.2Very high53 Ų5366.1 Ų66.132%0.32136%0.36SS..EExtended strand (participates in β ladder)trans-103.4123.9-174.8-175.40000110.3Y253 N266 V268V251-Y253 HydrophobicContact CG1-CD1 4.03Å; V251-Y253 HydrophobicContact CG1-CE1 3.83Å; V251-Y253 HydrophobicContact CG1-CG 4.49Å; V251-N266 HydrophobicContact CG1-CB 3.93Å; V251-V268 HydrophobicContact CG2-CG1 4.48Å; V251-V268 HydrophobicContact CG2-CG2 4.35Å
252F93.6Very high89.7Confident46 Ų4662.1 Ų62.120%0.20234%0.34CS..EExtended strand (participates in β ladder)trans-101.6109169.1-68.2-93.5000109L236 V238 I250 E255 N266 V267 I269L236-F252 HydrophobicContact CD1-CD1 4.39Å; L236-F252 HydrophobicContact CD1-CD2 4.35Å; L236-F252 HydrophobicContact CD1-CG 4.17Å; L236-F252 HydrophobicContact CD2-CD1 4.5Å; V238-F252 HydrophobicContact CG2-CE2 4.23Å; V238-F252 HydrophobicContact CG2-CZ 4.16Å; I250-F252 HydrophobicContact CG2-CD2 4.4Å; I250-F252 HydrophobicContact CG2-CE2 3.73Å; I250-F252 HydrophobicContact CG2-CZ 4.24Å; F252-E255 HydrophobicContact CB-CB 4.06Å; F252-E255 HydrophobicContact CB-CG 3.99Å; F252-N266 WeakPolarHBondContact O-CA 3.45Å; F252-V267 HydrophobicContact CB-CB 4.18Å; F252-V267 PolarHBondContact N-O 3.27Å; F252-V267 PolarHBondContact O-N 3.47Å; F252-I269 HydrophobicContact CD2-CD1 3.91Å; F252-I269 HydrophobicContact CD2-CG1 4.12Å; F252-I269 HydrophobicContact CE2-CD1 3.44Å; F252-I269 VanDerWaalsContact CE2-CD1 3.44Å; F252-I269 HydrophobicContact CE2-CG1 4.03Å; F252-I269 HydrophobicContact CZ-CD1 4.39Å
253Y92.4Very high89.4Confident185 Ų18564.2 Ų64.273%0.72535%0.345SS*.THydrogen-bonded Turntrans-72.9129.3-173.5-62-77.9000112.2V251 E255 N266V251-Y253 HydrophobicContact CG1-CD1 4.03Å; V251-Y253 HydrophobicContact CG1-CE1 3.83Å; V251-Y253 HydrophobicContact CG1-CG 4.49Å; Y253-E255 PolarHBondContact O-N 3.19Å; Y253-N266 VanDerWaalsContact CA-OD1 3.31Å; Y253-N266 WeakPolarHBondContact CA-OD1 3.44Å
254G89.2Confident89.4Confident31 Ų3166.4 Ų66.432%0.3236%0.359SS..THydrogen-bonded Turntrans69.810.5175.500000115.8G265 N266G254-G265 CarbonylContact C-O 3.54Å; G254-G265 WeakPolarHBondContact CA-O 3.48Å; G254-N266 PolarHBondContact N-OD1 3.22Å; G254-N266 VanDerWaalsContact N-OD1 3.09Å
255E90.6Very high89.3Confident48 Ų4865.8 Ų65.822%0.22436%0.356CS..  trans-90.44.1179.1-68.9-64.3170.100113.9K149 K234 L236 F252 Y253 G265 V267K149-E255 IonicContact NZ-OE2 2.73Å; K234-E255 WeakPolarHBondContact CD-OE2 3.4Å; K234-E255 WeakPolarHBondContact CE-OE2 3.34Å; K234-E255 IonicContact NZ-OE1 2.75Å; K234-E255 PolarHBondContact NZ-OE1 3.18Å; K234-E255 IonicContact NZ-OE2 3.98Å; K234-E255 PolarHBondContact NZ-OE2 3.07Å; L236-E255 HydrophobicContact CD2-CG 4.5Å; F252-E255 HydrophobicContact CB-CB 4.06Å; F252-E255 HydrophobicContact CB-CG 3.99Å; Y253-E255 PolarHBondContact O-N 3.19Å; E255-G265 PolarHBondContact N-O 2.75Å; E255-V267 HydrophobicContact CB-CB 4.27Å; E255-V267 HydrophobicContact CB-CG2 4.01Å; E255-V267 VanDerWaalsContact O-CG2 3.29Å; E255-V267 WeakPolarHBondContact O-CG2 3.47Å
256G89.6Confident89.4Confident2 Ų262.9 Ų62.92%0.02134%0.344CS..SBendtrans-72.7-175.9176.900000113.9G265G256-G265 WeakPolarHBondContact CA-O 3.46Å; G256-G265 PolarHBondContact N-O 2.95Å
257D90.8Very high89.6Confident54 Ų5460.4 Ų60.429%0.28933%0.326SS..  trans-61.9135.6175.6-84.7-10.4000111.2K150K150-D257 HydrophobicContact CB-CB 4.33Å; K150-D257 PolarHBondContact N-OD1 3.05Å; K150-D257 IonicContact NZ-OD2 2.68Å
258Q88.4Confident89.7Confident46 Ų4655.8 Ų55.822%0.21530%0.302CS..  trans-97.2135.2178.5-58.7-179.23.600110.8K150 I152 P264K150-Q258 WeakPolarHBondContact O-CB 3.27Å; K150-Q258 PolarHBondContact O-N 3.35Å; I152-Q258 HydrophobicContact CD1-CB 4.28Å; I152-Q258 HydrophobicContact CG1-CB 3.96Å; Q258-P264 HydrophobicContact CG-CB 4.18Å
259E84.4Confident89.8Confident87 Ų8752.2 Ų52.241%0.40729%0.285SS..  trans-124.6140.5172.3-50.3-151.1115.400110.8R229 G261 V262R229-E259 IonicContact CZ-OE1 3.4Å; R229-E259 VanDerWaalsContact NH1-CA 3.34Å; R229-E259 IonicContact NH1-OE1 2.77Å; R229-E259 PolarHBondContact NH1-OE1 3.26Å; R229-E259 IonicContact NH1-OE2 3.25Å; E259-G261 PolarHBondContact O-N 3.27Å; E259-G261 VanDerWaalsContact O-N 3.12Å; E259-V262 HydrophobicContact CB-CB 3.9Å; E259-V262 HydrophobicContact CB-CG2 3.89Å; E259-V262 PolarHBondContact O-N 2.91Å; E259-V262 VanDerWaalsContact O-N 3.14Å
260P78.9Confident89.9Confident41 Ų4146.2 Ų46.227%0.26626%0.261SS..THydrogen-bonded Turntrans-58.4118.5176.6-22.933.4000111.6G158 K228G158-P260 VanDerWaalsContact O-CB 3.32Å; G158-P260 WeakPolarHBondContact O-CB 3.44Å; K228-P260 HydrophobicContact CB-CG 3.97Å; K228-P260 HydrophobicContact CD-CG 4.37Å
261G76.9Confident89.9Confident89 Ų8944.7 Ų44.792%0.91825%0.253SS*.THydrogen-bonded Turntrans91-5.1178.900000115.7E259E259-G261 PolarHBondContact O-N 3.27Å; E259-G261 VanDerWaalsContact O-N 3.12Å
262V84.1Confident89.9Confident29 Ų2945.9 Ų45.918%0.17626%0.255CS..SBendtrans-112.4141.7-178.6-176.90000108.7E121 E259E121-V262 HydrophobicContact CB-CG1 4.17Å; E121-V262 HydrophobicContact CB-CG2 4.43Å; E121-V262 WeakPolarHBondContact O-CG1 3.37Å; E259-V262 HydrophobicContact CB-CB 3.9Å; E259-V262 HydrophobicContact CB-CG2 3.89Å; E259-V262 PolarHBondContact O-N 2.91Å; E259-V262 VanDerWaalsContact O-N 3.14Å
263Q86.6Confident89.8Confident104 Ų10444.9 Ų44.949%0.48626%0.258SS..BIsolated β-bridgetrans-73.5132173.9-176.9175.511.600109.1E121 R122 G123E121-Q263 PolarHBondContact O-N 2.67Å; R122-Q263 CarbonylContact C-O 3.46Å; R122-Q263 WeakPolarHBondContact CA-O 3.28Å; R122-Q263 HydrophobicContact CG-CB 4.32Å; G123-Q263 PolarHBondContact N-O 2.67Å
264P90.4Very high89.9Confident45 Ų4541.2 Ų41.229%0.29225%0.246SC..  trans-60143.8-179.123.7-33.5000112.1Q258Q258-P264 HydrophobicContact CG-CB 4.18Å
265G91Very high90Very high2 Ų247.6 Ų47.62%0.02127%0.273CS..  trans-71.6-178.917100000112.2G123 G254 E255 G256G123-G265 WeakPolarHBondContact O-CA 3.35Å; G254-G265 CarbonylContact C-O 3.54Å; G254-G265 WeakPolarHBondContact CA-O 3.48Å; E255-G265 PolarHBondContact N-O 2.75Å; G256-G265 WeakPolarHBondContact CA-O 3.46Å; G256-G265 PolarHBondContact N-O 2.95Å
266N94.2Very high90.1Very high37 Ų3747.6 Ų47.620%0.19827%0.273CS..  trans-99.1155.7176.3-51.4-56000111D125 T126 V251 F252 Y253 G254D125-N266 CarbonylContact C-O 3.55Å; D125-N266 VanDerWaalsContact CA-O 3.27Å; D125-N266 WeakPolarHBondContact CA-O 3.32Å; D125-N266 WeakPolarHBondContact OD1-CB 2.98Å; D125-N266 PolarHBondContact OD1-N 2.91Å; D125-N266 PolarHBondContact OD1-ND2 2.94Å; T126-N266 PolarHBondContact N-O 3.41Å; V251-N266 HydrophobicContact CG1-CB 3.93Å; F252-N266 WeakPolarHBondContact O-CA 3.45Å; Y253-N266 VanDerWaalsContact CA-OD1 3.31Å; Y253-N266 WeakPolarHBondContact CA-OD1 3.44Å; G254-N266 PolarHBondContact N-OD1 3.22Å; G254-N266 VanDerWaalsContact N-OD1 3.09Å
267V93.6Very high90.1Very high4 Ų457 Ų572%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-96.9118.6166.2166.40000108.1T126 L147 L236 F252 E255 I269T126-V267 WeakPolarHBondContact O-CA 3.38Å; L147-V267 HydrophobicContact CD1-CB 4.47Å; L147-V267 HydrophobicContact CD1-CG1 3.61Å; L147-V267 HydrophobicContact CD1-CG2 4.13Å; L236-V267 HydrophobicContact CD1-CG1 4.19Å; F252-V267 HydrophobicContact CB-CB 4.18Å; F252-V267 PolarHBondContact N-O 3.27Å; F252-V267 PolarHBondContact O-N 3.47Å; E255-V267 HydrophobicContact CB-CB 4.27Å; E255-V267 HydrophobicContact CB-CG2 4.01Å; E255-V267 VanDerWaalsContact O-CG2 3.29Å; E255-V267 WeakPolarHBondContact O-CG2 3.47Å; V267-I269 HydrophobicContact CG1-CG1 4.08Å
268V94.8Very high90.2Very high14 Ų1457.9 Ų57.99%0.08532%0.323CS..EExtended strand (participates in β ladder)trans-107.1110.3179.4-176.50000108.6D125 T126 V127 H128 K249 V251 V270D125-V268 HydrophobicContact CB-CG2 4.43Å; T126-V268 PolarHBondContact O-N 3.19Å; V127-V268 CarbonylContact C-O 3.52Å; V127-V268 WeakPolarHBondContact CA-O 3.46Å; V127-V268 HydrophobicContact CG2-CB 4.45Å; H128-V268 PolarHBondContact N-O 2.74Å; K249-V268 HydrophobicContact CB-CG1 4Å; K249-V268 HydrophobicContact CD-CG1 4.05Å; K249-V268 HydrophobicContact CG-CG1 4.16Å; V251-V268 HydrophobicContact CG2-CG1 4.48Å; V251-V268 HydrophobicContact CG2-CG2 4.35Å; V268-V270 HydrophobicContact CG1-CG2 4.33Å
269I94.7Very high90.4Very high0 Ų056 Ų560%031%0.314CS..EExtended strand (participates in β ladder)trans-90.9119.7175.9-53.1-171.4000108.5H128 L130 L145 V238 K249 I250 F252 V267H128-I269 VanDerWaalsContact O-CA 3.3Å; H128-I269 WeakPolarHBondContact O-CA 3.09Å; L130-I269 HydrophobicContact CB-CG2 3.56Å; L130-I269 HydrophobicContact CD2-CG2 4.15Å; L130-I269 HydrophobicContact CG-CG2 4.49Å; L145-I269 HydrophobicContact CD2-CD1 3.83Å; V238-I269 HydrophobicContact CB-CD1 4.33Å; V238-I269 HydrophobicContact CG1-CD1 4.1Å; V238-I269 HydrophobicContact CG1-CG2 4.48Å; V238-I269 HydrophobicContact CG2-CD1 3.27Å; K249-I269 WeakPolarHBondContact CA-O 3.44Å; I250-I269 HydrophobicContact CB-CB 4.36Å; I250-I269 PolarHBondContact N-O 2.92Å; I250-I269 PolarHBondContact O-N 3.04Å; F252-I269 HydrophobicContact CD2-CD1 3.91Å; F252-I269 HydrophobicContact CD2-CG1 4.12Å; F252-I269 HydrophobicContact CE2-CD1 3.44Å; F252-I269 VanDerWaalsContact CE2-CD1 3.44Å; F252-I269 HydrophobicContact CE2-CG1 4.03Å; F252-I269 HydrophobicContact CZ-CD1 4.39Å; V267-I269 HydrophobicContact CG1-CG1 4.08Å
270V95.5Very high90.9Very high21 Ų2156.6 Ų56.613%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-102117.7178.5-177.20000108.2V127 H128 P129 L130 K249 V268 Q272V127-V270 HydrophobicContact CG1-CG2 3.64Å; H128-V270 PolarHBondContact O-N 3.23Å; P129-V270 WeakPolarHBondContact CA-O 3.34Å; L130-V270 PolarHBondContact N-O 2.82Å; K249-V270 HydrophobicContact CG-CG2 4.33Å; V268-V270 HydrophobicContact CG1-CG2 4.33Å; V270-Q272 PolarHBondContact O-N 2.79Å
271L94.7Very high91.6Very high1 Ų156.8 Ų56.81%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-70.6125.8177-59.9-174.1000109.9L130 V132 L137 I240 M244 N247 E248 I250L130-L271 HydrophobicContact CB-CD2 4.29Å; L130-L271 HydrophobicContact CD2-CD2 3.95Å; L130-L271 HydrophobicContact CG-CD2 4.47Å; V132-L271 HydrophobicContact CG2-CD2 4.05Å; L137-L271 HydrophobicContact CD2-CD1 4.46Å; I240-L271 HydrophobicContact CG1-CD2 4.28Å; I240-L271 HydrophobicContact CG2-CD1 4.24Å; M244-L271 HydrophobicContact CB-CD1 3.95Å; M244-L271 HydrophobicContact CE-CD1 3.56Å; M244-L271 HydrophobicContact SD-CD1 3.88Å; N247-L271 VanDerWaalsContact CA-O 3.25Å; N247-L271 WeakPolarHBondContact CA-O 3.48Å; N247-L271 PolarHBondContact N-O 2.93Å; E248-L271 PolarHBondContact O-N 3.24Å; I250-L271 HydrophobicContact CD1-CD1 4.39Å; I250-L271 HydrophobicContact CD1-CD2 4.09Å; I250-L271 HydrophobicContact CD1-CG 4.38Å
272Q94.1Very high92.3Very high77 Ų7756.3 Ų56.336%0.3630%0.295SS..EExtended strand (participates in β ladder)trans-113.7105.6173.4-68.8-174.1-17.300108.4P129 L130 R131 V132 V270 K274P129-Q272 VanDerWaalsContact CB-CD 3.48Å; P129-Q272 HydrophobicContact CB-CG 4.16Å; L130-Q272 PolarHBondContact O-N 2.89Å; R131-Q272 CarbonylContact C-O 3.57Å; R131-Q272 WeakPolarHBondContact CA-O 3.26Å; V132-Q272 PolarHBondContact N-O 3.1Å; V270-Q272 PolarHBondContact O-N 2.79Å; Q272-K274 PolarHBondContact O-N 3.21Å
273G92Very high92.6Very high25 Ų2562.2 Ų62.226%0.25832%0.319SS..EExtended strand (participates in β ladder)trans-63.6128.817300000110.2V132V132-G273 CarbonylContact O-C 3.58Å; V132-G273 WeakPolarHBondContact O-CA 3.43Å
274K92.8Very high92.9Very high108 Ų10859.5 Ų59.547%0.4731%0.307SS..PPolyproline II helixtrans-77.7142.8168-68.3-179.7179.5179.90109.2R131 V132 T133 Q272R131-K274 HydrophobicContact CB-CG 4.41Å; V132-K274 PolarHBondContact O-N 3.42Å; T133-K274 HydrophobicContact CG2-CD 4.12Å; Q272-K274 PolarHBondContact O-N 3.21Å
275D92Very high93.1Very high166 Ų16659.3 Ų59.389%0.88830%0.304SS*.PPolyproline II helixtrans-61.9139.9170-57.3-31.9000109.6
276H92.4Very high93.2Very high48 Ų4859.3 Ų59.322%0.22230%0.304CS..  trans-109.8143.5178.6-174-72.3000109.1L134 V278 F279L134-H276 HydrophobicContact CB-CB 4.37Å; L134-H276 HydrophobicContact CD1-CB 3.43Å; L134-H276 VanDerWaalsContact CD1-CB 3.43Å; L134-H276 HydrophobicContact CG-CB 3.97Å; H276-V278 PolarHBondContact ND1-N 3.48Å; H276-V278 PolarHBondContact O-N 2.91Å; H276-F279 WeakPolarHBondContact CB-O 3.47Å; H276-F279 AromaticContact CE1-CD2 3.44Å; H276-F279 VanDerWaalsContact CE1-CD2 3.44Å; H276-F279 WeakPolarHBondContact CE1-CD2 3.49Å; H276-F279 AromaticContact ND1-CD2 3.74Å; H276-F279 PolarHBondContact ND1-N 2.86Å
277E89.9Confident93.3Very high200 Ų20059.5 Ų59.594%0.93530%0.303SS*.SBendtrans-67.2-38-172.8-61.1-179.817800112.5
278V91.9Very high93.3Very high71 Ų7159.6 Ų59.643%0.4330%0.304SS..SBendtrans-98.3-36.3-175.2-175.10000114.3H276 M288H276-V278 PolarHBondContact ND1-N 3.48Å; H276-V278 PolarHBondContact O-N 2.91Å; V278-M288 HydrophobicContact CG1-CB 4.49Å; V278-M288 HydrophobicContact CG1-CE 4.23Å; V278-M288 WeakPolarHBondContact O-CB 3.37Å
279F94.2Very high93.3Very high8 Ų867 Ų674%0.03534%0.335CS..EExtended strand (participates in β ladder)trans-116.9131.8-166.8-64.1-67.9000110.3L134 H276 H287 M288 R306 L308 L347L134-F279 HydrophobicContact CD1-CB 4.21Å; L134-F279 WeakPolarHBondContact CD1-O 3.26Å; H276-F279 WeakPolarHBondContact CB-O 3.47Å; H276-F279 AromaticContact CE1-CD2 3.44Å; H276-F279 VanDerWaalsContact CE1-CD2 3.44Å; H276-F279 WeakPolarHBondContact CE1-CD2 3.49Å; H276-F279 AromaticContact ND1-CD2 3.74Å; H276-F279 PolarHBondContact ND1-N 2.86Å; F279-H287 CarbonylContact C-O 3.57Å; F279-H287 WeakPolarHBondContact CA-O 3.29Å; F279-M288 HydrophobicContact CD1-CB 3.93Å; F279-M288 HydrophobicContact CE1-CB 4.1Å; F279-M288 HydrophobicContact CE1-CG 4.45Å; F279-M288 HydrophobicContact CE1-SD 3.86Å; F279-R306 WeakPolarHBondContact CZ-O 3.47Å; F279-L308 HydrophobicContact CD2-CD2 3.63Å; F279-L308 HydrophobicContact CD2-CG 4.08Å; F279-L308 HydrophobicContact CE2-CD2 4.09Å; F279-L308 HydrophobicContact CE2-CG 4.29Å; F279-L308 HydrophobicContact CG-CD2 4.47Å; F279-L347 HydrophobicContact CD1-CD1 4.14Å; F279-L347 HydrophobicContact CE1-CD1 3.97Å
280V94.2Very high93.2Very high99 Ų9969.9 Ų69.960%0.635%0.346SS*.EExtended strand (participates in β ladder)trans-111.6119.2172.6-179.30000107.5H287V280-H287 HydrophobicContact CB-CB 4.36Å; V280-H287 PolarHBondContact N-O 3.07Å; V280-H287 PolarHBondContact O-N 3.18Å
281R93.4Very high93Very high44 Ų4472.5 Ų72.517%0.16637%0.365CS..EExtended strand (participates in β ladder)trans-81.3125.2180-179.7178.9176.91762.4110.8L134 G243 M244 K283 L286 M336L134-R281 HydrophobicContact CD1-CB 4.45Å; L134-R281 HydrophobicContact CD2-CB 4.02Å; G243-R281 PolarHBondContact O-NH2 2.89Å; M244-R281 PolarHBondContact O-NH1 3.36Å; M244-R281 PolarHBondContact O-NH2 2.89Å; R281-K283 PolarHBondContact NE-O 2.87Å; R281-K283 PolarHBondContact NH2-O 3.42Å; R281-L286 HydrophobicContact CB-CD2 4.11Å; R281-L286 HydrophobicContact CG-CD2 4.41Å; R281-M336 HydrophobicContact CG-CG 4.06Å
282D92.5Very high92.8Very high80 Ų8072.9 Ų72.943%0.42837%0.367SS..EExtended strand (participates in β ladder)trans-115.299.6164.1-174.512.7000109.6N284 D285D282-N284 PolarHBondContact O-N 3.13Å; D282-D285 CarbonylContact C-O 3.56Å; D282-D285 PolarHBondContact N-O 2.79Å; D282-D285 PolarHBondContact O-N 3.1Å
283K90.7Very high92.5Very high152 Ų15270.4 Ų70.466%0.66136%0.363SS*.THydrogen-bonded Turntrans54.1-99.7-176.3-59.3169.3-172.7165.10112.9R281R281-K283 PolarHBondContact NE-O 2.87Å; R281-K283 PolarHBondContact NH2-O 3.42Å
284N91.8Very high92.2Very high47 Ų4771.2 Ų71.225%0.25136%0.361SS..THydrogen-bonded Turntrans-103.4-12.8-179.9-60.8-20.2000111.7D282 M336 V338 G345D282-N284 PolarHBondContact O-N 3.13Å; N284-M336 WeakPolarHBondContact O-CA 3.07Å; N284-M336 WeakPolarHBondContact O-CB 3.33Å; N284-M336 PolarHBondContact O-N 3.04Å; N284-V338 HydrophobicContact CB-CG2 4.18Å; N284-G345 WeakPolarHBondContact O-CA 3.38Å
285D94Very high91.8Very high41 Ų4166.9 Ų66.922%0.21934%0.344CS..EExtended strand (participates in β ladder)trans-98.1157.6-179.2-58.6-36.6000110.3D282 G345 N346 F348D282-D285 CarbonylContact C-O 3.56Å; D282-D285 PolarHBondContact N-O 2.79Å; D282-D285 PolarHBondContact O-N 3.1Å; D285-G345 WeakPolarHBondContact OD1-CA 3.43Å; D285-N346 CarbonylContact C-O 3.21Å; D285-N346 VanDerWaalsContact CA-O 3.27Å; D285-N346 WeakPolarHBondContact CA-O 3.35Å; D285-N346 WeakPolarHBondContact CB-O 3.26Å; D285-N346 PolarHBondContact OD1-N 3.13Å; D285-F348 HydrophobicContact CB-CD2 3.91Å; D285-F348 HydrophobicContact CB-CE2 3.64Å
286L94.3Very high91.5Very high3 Ų360.2 Ų60.22%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-117.9139176.9-69.2173.9000108.9R281 L308 M336 N346 L347 F348R281-L286 HydrophobicContact CB-CD2 4.11Å; R281-L286 HydrophobicContact CG-CD2 4.41Å; L286-L308 HydrophobicContact CD1-CD1 3.65Å; L286-L308 HydrophobicContact CD1-CG 4.5Å; L286-L308 HydrophobicContact CD2-CD1 4.31Å; L286-M336 HydrophobicContact CD1-CG 4.43Å; L286-M336 HydrophobicContact CD1-SD 4.33Å; L286-M336 HydrophobicContact CD2-CG 3.74Å; L286-M336 HydrophobicContact CD2-SD 3.92Å; L286-M336 HydrophobicContact CG-CG 3.99Å; L286-M336 HydrophobicContact CG-SD 4.4Å; L286-N346 PolarHBondContact N-O 3.45Å; L286-L347 HydrophobicContact CB-CD1 3.7Å; L286-L347 CarbonylContact O-C 3.5Å; L286-L347 WeakPolarHBondContact O-CA 3.35Å; L286-F348 PolarHBondContact O-N 3.21Å
287H95Very high91.3Very high40 Ų4058 Ų5819%0.18530%0.298CS..EExtended strand (participates in β ladder)trans-113.4138.4171.2-66.5-86.5000109.6F279 V280 F348 H350F279-H287 CarbonylContact C-O 3.57Å; F279-H287 WeakPolarHBondContact CA-O 3.29Å; V280-H287 HydrophobicContact CB-CB 4.36Å; V280-H287 PolarHBondContact N-O 3.07Å; V280-H287 PolarHBondContact O-N 3.18Å; H287-F348 CarbonylContact C-O 3.6Å; H287-F348 VanDerWaalsContact CA-O 3.28Å; H287-F348 WeakPolarHBondContact CA-O 3.46Å; H287-F348 AromaticContact CE1-CD2 3.45Å; H287-F348 VanDerWaalsContact CE1-CD2 3.45Å; H287-F348 WeakPolarHBondContact CE1-CD2 3.4Å; H287-F348 AromaticContact CE1-CG 3.66Å; H287-F348 VanDerWaalsContact ND1-CB 3.29Å; H287-F348 WeakPolarHBondContact ND1-CB 3.03Å; H287-F348 AromaticContact ND1-CD2 3.96Å; H287-F348 AromaticContact ND1-CG 3.87Å; H287-F348 AromaticContact NE2-CD2 3.85Å; H287-H350 AromaticContact CG-NE2 3.83Å; H287-H350 AromaticContact ND1-CD2 3.93Å; H287-H350 AromaticContact ND1-NE2 3.12Å; H287-H350 PolarHBondContact ND1-NE2 3.23Å; H287-H350 VanDerWaalsContact ND1-NE2 3.12Å
288M94.4Very high91.1Very high7 Ų751.7 Ų51.73%0.03427%0.271CS..EExtended strand (participates in β ladder)trans-135.1153.7169.864.9177.5-65.300110.3V278 F279 Y290 I305 L347 F348 I349 H350V278-M288 HydrophobicContact CG1-CB 4.49Å; V278-M288 HydrophobicContact CG1-CE 4.23Å; V278-M288 WeakPolarHBondContact O-CB 3.37Å; F279-M288 HydrophobicContact CD1-CB 3.93Å; F279-M288 HydrophobicContact CE1-CB 4.1Å; F279-M288 HydrophobicContact CE1-CG 4.45Å; F279-M288 HydrophobicContact CE1-SD 3.86Å; M288-Y290 HydrophobicContact CE-CD2 4.15Å; M288-I305 HydrophobicContact CE-CD1 3.78Å; M288-I305 HydrophobicContact CE-CG1 4.3Å; M288-I305 HydrophobicContact CE-CG2 3.87Å; M288-I305 HydrophobicContact SD-CD1 3.89Å; M288-I305 HydrophobicContact SD-CG2 4.03Å; M288-L347 HydrophobicContact CG-CD1 4.11Å; M288-L347 HydrophobicContact SD-CD1 4.17Å; M288-L347 HydrophobicContact SD-CD2 4.14Å; M288-L347 HydrophobicContact SD-CG 4.48Å; M288-F348 PolarHBondContact N-O 3.21Å; M288-I349 HydrophobicContact CG-CB 4.23Å; M288-I349 HydrophobicContact CG-CG1 3.85Å; M288-I349 HydrophobicContact CG-CG2 4.14Å; M288-I349 HydrophobicContact SD-CD1 4.17Å; M288-I349 HydrophobicContact SD-CG1 3.97Å; M288-H350 PolarHBondContact O-N 3.17Å
289K94Very high90.6Very high170 Ų17050.2 Ų50.274%0.73926%0.263SS*.EExtended strand (participates in β ladder)trans-100.9133.2170.7-65.6-175.7176.6-171.60108.9H350K289-H350 WeakPolarHBondContact CA-O 3.46Å; K289-H350 HydrophobicContact CG-CB 4.33Å
290Y92.9Very high90.2Very high60 Ų6050.4 Ų50.424%0.23527%0.267CS..EExtended strand (participates in β ladder)trans-135.2124.4179.8-167.9-96.1000110.4M288 I292 F301 T303 I305 H350 F351 E352M288-Y290 HydrophobicContact CE-CD2 4.15Å; Y290-I292 HydrophobicContact CD1-CG2 3.61Å; Y290-I292 HydrophobicContact CE1-CG2 3.54Å; Y290-F301 HydrophobicContact CE1-CE2 4.13Å; Y290-T303 HydrophobicContact CE1-CG2 3.99Å; Y290-T303 HydrophobicContact CE2-CG2 4.24Å; Y290-T303 WeakPolarHBondContact OH-CB 3.44Å; Y290-T303 VanDerWaalsContact OH-CG2 3.29Å; Y290-T303 WeakPolarHBondContact OH-CG2 3.5Å; Y290-T303 PolarHBondContact OH-OG1 2.81Å; Y290-I305 HydrophobicContact CD2-CD1 4.44Å; Y290-I305 HydrophobicContact CE2-CG1 4.43Å; Y290-H350 PolarHBondContact N-O 3.03Å; Y290-F351 HydrophobicContact CD1-CD1 4.01Å; Y290-F351 AromaticContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CG-CE1 4.37Å; Y290-F351 WeakPolarHBondContact O-CA 3.35Å; Y290-E352 PolarHBondContact O-N 3.42Å
291S91.5Very high89.8Confident76 Ų7646.4 Ų46.453%0.53124%0.242SC..EExtended strand (participates in β ladder)trans-91.9128.9-179.950.30000111.3E352S291-E352 CarbonylContact C-O 3.59Å; S291-E352 VanDerWaalsContact CA-O 3.27Å; S291-E352 WeakPolarHBondContact CA-O 3.48Å
292I90.1Very high89.5Confident8 Ų848.7 Ų48.74%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-122.3149.3177.356.2175.4000110.7Y290 A297 F301 I323 F351 E352 V353 V354Y290-I292 HydrophobicContact CD1-CG2 3.61Å; Y290-I292 HydrophobicContact CE1-CG2 3.54Å; I292-A297 HydrophobicContact CD1-CB 3.62Å; I292-A297 HydrophobicContact CG1-CB 4.25Å; I292-F301 HydrophobicContact CG2-CE1 4.42Å; I292-F301 HydrophobicContact CG2-CE2 4.4Å; I292-F301 HydrophobicContact CG2-CZ 4.36Å; I292-I323 HydrophobicContact CD1-CB 3.93Å; I292-I323 HydrophobicContact CD1-CD1 3.79Å; I292-I323 HydrophobicContact CD1-CG1 4.46Å; I292-I323 HydrophobicContact CD1-CG2 3.7Å; I292-F351 HydrophobicContact CD1-CB 4.28Å; I292-F351 HydrophobicContact CD1-CD1 3.93Å; I292-F351 HydrophobicContact CD1-CG 4.26Å; I292-F351 HydrophobicContact CG1-CD1 4.24Å; I292-F351 HydrophobicContact CG2-CD1 3.88Å; I292-F351 HydrophobicContact CG2-CE1 4.07Å; I292-E352 PolarHBondContact N-O 3.33Å; I292-V353 HydrophobicContact CD1-CG2 4.22Å; I292-V353 HydrophobicContact CG1-CG2 4.08Å; I292-V353 CarbonylContact O-C 3.54Å; I292-V353 WeakPolarHBondContact O-CA 3.24Å; I292-V354 PolarHBondContact O-N 2.88Å
293G87.7Confident89.3Confident26 Ų2645.3 Ų45.327%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-72.8154.6171.700000111.9S295 D296 A297G293-S295 VanDerWaalsContact C-N 3.25Å; G293-S295 PolarHBondContact O-N 3.01Å; G293-D296 WeakPolarHBondContact O-CB 3.24Å; G293-D296 PolarHBondContact O-N 2.96Å; G293-A297 PolarHBondContact O-N 3.1Å
294L86.2Confident89.3Confident42 Ų4240.2 Ų40.222%0.2222%0.218CC..Hα-helixtrans-56.2-37.5176.3-177.466.5000113.3D296 L298 V353 V354 F355L294-D296 VanDerWaalsContact C-N 3.26Å; L294-D296 PolarHBondContact O-N 2.8Å; L294-L298 HydrophobicContact CD1-CD1 4.18Å; L294-L298 HydrophobicContact CD1-CG 4.43Å; L294-L298 HydrophobicContact CG-CD1 4.16Å; L294-L298 WeakPolarHBondContact O-CG 2.95Å; L294-L298 PolarHBondContact O-N 3.05Å; L294-V353 HydrophobicContact CB-CG1 4.34Å; L294-V353 HydrophobicContact CD1-CG1 4.04Å; L294-V354 PolarHBondContact N-O 3.41Å; L294-F355 HydrophobicContact CD1-CD1 4.49Å; L294-F355 HydrophobicContact CD1-CE1 3.82Å; L294-F355 HydrophobicContact CD1-CZ 3.95Å; L294-F355 HydrophobicContact CD2-CD1 3.81Å; L294-F355 HydrophobicContact CD2-CE1 3.66Å; L294-F355 HydrophobicContact CG-CE1 4.27Å
295S84.5Confident89.2Confident16 Ų1638.4 Ų38.411%0.11221%0.209CC..Hα-helixtrans-56.8-43.6174.449.80000112G293 L298 C299 P386G293-S295 VanDerWaalsContact C-N 3.25Å; G293-S295 PolarHBondContact O-N 3.01Å; S295-L298 PolarHBondContact O-N 3.35Å; S295-C299 VanDerWaalsContact O-CB 3.23Å; S295-C299 WeakPolarHBondContact O-CB 3.38Å; S295-C299 PolarHBondContact O-N 2.75Å; S295-C299 PolarHBondContact O-SG 3.17Å; S295-P386 WeakPolarHBondContact CB-O 3.5Å
296D86.1Confident89Confident26 Ų2645.2 Ų45.214%0.13923%0.231CC..Hα-helixtrans-79.4-34.7-170.7-64.99.6000110.1G293 L294 L298 G300 F301 P388G293-D296 WeakPolarHBondContact O-CB 3.24Å; G293-D296 PolarHBondContact O-N 2.96Å; L294-D296 VanDerWaalsContact C-N 3.26Å; L294-D296 PolarHBondContact O-N 2.8Å; D296-L298 VanDerWaalsContact C-N 3.33Å; D296-L298 PolarHBondContact O-N 3.21Å; D296-G300 CarbonylContact O-C 3.59Å; D296-G300 VanDerWaalsContact O-C 3.27Å; D296-G300 WeakPolarHBondContact O-CA 3.47Å; D296-G300 PolarHBondContact O-N 3.11Å; D296-G300 VanDerWaalsContact O-N 3.14Å; D296-F301 HydrophobicContact CB-CB 3.86Å; D296-P388 WeakPolarHBondContact OD1-CB 3.31Å
297A86.9Confident88.8Confident2 Ų245.7 Ų45.72%0.01723%0.234CC..Hα-helixtrans-63.6-34.217200000113.3I292 G293 I323 V353I292-A297 HydrophobicContact CD1-CB 3.62Å; I292-A297 HydrophobicContact CG1-CB 4.25Å; G293-A297 PolarHBondContact O-N 3.1Å; A297-I323 HydrophobicContact CB-CB 4.32Å; A297-I323 PolarHBondContact O-N 2.97Å; A297-I323 VanDerWaalsContact O-N 3.08Å; A297-V353 HydrophobicContact CB-CG1 4.14Å; A297-V353 HydrophobicContact CB-CG2 3.99Å
298L86Confident88.5Confident68 Ų6844 Ų4436%0.35623%0.226SC..Hα-helixtrans-91.9-37.2-178.1-67.6174.4000113.7L294 S295 D296 I322 L385L294-L298 HydrophobicContact CD1-CD1 4.18Å; L294-L298 HydrophobicContact CD1-CG 4.43Å; L294-L298 HydrophobicContact CG-CD1 4.16Å; L294-L298 WeakPolarHBondContact O-CG 2.95Å; L294-L298 PolarHBondContact O-N 3.05Å; S295-L298 PolarHBondContact O-N 3.35Å; D296-L298 VanDerWaalsContact C-N 3.33Å; D296-L298 PolarHBondContact O-N 3.21Å; L298-I322 HydrophobicContact CD2-CG2 4.12Å; L298-L385 HydrophobicContact CD1-CD1 4.02Å
299C82.8Confident88Confident40 Ų4045.7 Ų45.727%0.2724%0.235SC..Hα-helixtrans-96.2-6.3-173.3-57.40000113.4S295 P319S295-C299 VanDerWaalsContact O-CB 3.23Å; S295-C299 WeakPolarHBondContact O-CB 3.38Å; S295-C299 PolarHBondContact O-N 2.75Å; S295-C299 PolarHBondContact O-SG 3.17Å; C299-P319 WeakPolarHBondContact O-CA 3.21Å; C299-P319 WeakPolarHBondContact O-CB 3.43Å
300G84.2Confident87.5Confident11 Ų1143.5 Ų43.511%0.11323%0.232CC..  trans85.2152.5-168.200000111.7D296D296-G300 CarbonylContact O-C 3.59Å; D296-G300 VanDerWaalsContact O-C 3.27Å; D296-G300 WeakPolarHBondContact O-CA 3.47Å; D296-G300 PolarHBondContact O-N 3.11Å; D296-G300 VanDerWaalsContact O-N 3.14Å
301F86Confident87.2Confident16 Ų1643.8 Ų43.87%0.0724%0.24CC..  trans-140.1160.5-177.781.7-81000111.3Y290 I292 D296 T303 I315 Y316 N317 I323 F351 L402Y290-F301 HydrophobicContact CE1-CE2 4.13Å; I292-F301 HydrophobicContact CG2-CE1 4.42Å; I292-F301 HydrophobicContact CG2-CE2 4.4Å; I292-F301 HydrophobicContact CG2-CZ 4.36Å; D296-F301 HydrophobicContact CB-CB 3.86Å; F301-T303 HydrophobicContact CD2-CG2 4.06Å; F301-T303 HydrophobicContact CE2-CG2 3.55Å; F301-I315 HydrophobicContact CE2-CD1 3.84Å; F301-I315 HydrophobicContact CE2-CG1 4.11Å; F301-I315 HydrophobicContact CZ-CD1 3.78Å; F301-I315 HydrophobicContact CZ-CG1 4.35Å; F301-Y316 VanDerWaalsContact O-CA 3.28Å; F301-Y316 WeakPolarHBondContact O-CA 3.35Å; F301-N317 HydrophobicContact CD1-CB 4.2Å; F301-N317 HydrophobicContact CE1-CB 4.22Å; F301-N317 PolarHBondContact O-N 3.45Å; F301-N317 VanDerWaalsContact O-N 3.09Å; F301-I323 HydrophobicContact CD1-CD1 3.75Å; F301-I323 HydrophobicContact CE1-CD1 3.36Å; F301-F351 AromaticContact CE1-CE1 3.88Å; F301-F351 HydrophobicContact CE1-CE1 3.88Å; F301-F351 AromaticContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE2-CE1 4.4Å; F301-F351 AromaticContact CZ-CE1 3.46Å; F301-F351 HydrophobicContact CZ-CE1 3.46Å; F301-F351 VanDerWaalsContact CZ-CE1 3.46Å; F301-F351 AromaticContact CZ-CZ 3.58Å; F301-F351 HydrophobicContact CZ-CZ 3.58Å; F301-L402 HydrophobicContact CE1-CD1 3.96Å; F301-L402 HydrophobicContact CZ-CD1 3.82Å
302K88.6Confident87Confident91 Ų9142.1 Ų42.140%0.39623%0.225SC..EExtended strand (participates in β ladder)trans-136.8119.4173.8-175.5168.7-178.2167.10108.1I314 I315 T391 E399K302-I314 HydrophobicContact CD-CG2 4.22Å; K302-I314 VanDerWaalsContact CE-CG2 3.45Å; K302-I314 HydrophobicContact CG-CG2 3.7Å; K302-I315 WeakPolarHBondContact CA-O 3.26Å; K302-T391 PolarHBondContact O-OG1 3.19Å; K302-E399 IonicContact NZ-OE1 2.72Å; K302-E399 PolarHBondContact NZ-OE1 3.33Å; K302-E399 IonicContact NZ-OE2 2.63Å; K302-E399 PolarHBondContact NZ-OE2 3.35Å
303T87.5Confident87Confident10 Ų1041.9 Ų41.96%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-140.9158.4-179.6-159.90000111.2Y290 F301 I305 I314 I315Y290-T303 HydrophobicContact CE1-CG2 3.99Å; Y290-T303 HydrophobicContact CE2-CG2 4.24Å; Y290-T303 WeakPolarHBondContact OH-CB 3.44Å; Y290-T303 VanDerWaalsContact OH-CG2 3.29Å; Y290-T303 WeakPolarHBondContact OH-CG2 3.5Å; Y290-T303 PolarHBondContact OH-OG1 2.81Å; F301-T303 HydrophobicContact CD2-CG2 4.06Å; F301-T303 HydrophobicContact CE2-CG2 3.55Å; T303-I305 HydrophobicContact CG2-CG1 4.33Å; T303-I314 CarbonylContact O-C 3.57Å; T303-I314 WeakPolarHBondContact O-CA 3.28Å; T303-I315 HydrophobicContact CG2-CD1 3.83Å; T303-I315 HydrophobicContact CG2-CG1 3.52Å; T303-I315 PolarHBondContact N-O 3.31Å; T303-I315 PolarHBondContact O-N 3.05Å
304S89.7Confident87.1Confident44 Ų4440.9 Ų40.931%0.30821%0.212SC..EExtended strand (participates in β ladder)trans-101.6131174.457.20000110.9L313S304-L313 CarbonylContact C-O 3.27Å; S304-L313 WeakPolarHBondContact CA-O 3.36Å
305I90.2Very high87.3Confident10 Ų1038.9 Ų38.95%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-116.2138.8173.9-63.9171.3000108.6M288 Y290 T303 L313 I315 I349M288-I305 HydrophobicContact CE-CD1 3.78Å; M288-I305 HydrophobicContact CE-CG1 4.3Å; M288-I305 HydrophobicContact CE-CG2 3.87Å; M288-I305 HydrophobicContact SD-CD1 3.89Å; M288-I305 HydrophobicContact SD-CG2 4.03Å; Y290-I305 HydrophobicContact CD2-CD1 4.44Å; Y290-I305 HydrophobicContact CE2-CG1 4.43Å; T303-I305 HydrophobicContact CG2-CG1 4.33Å; I305-L313 PolarHBondContact N-O 3.34Å; I305-L313 PolarHBondContact O-N 3.3Å; I305-I315 HydrophobicContact CD1-CD1 3.28Å; I305-I315 HydrophobicContact CD1-CG1 3.8Å; I305-I315 HydrophobicContact CD1-CG2 4.22Å; I305-I315 HydrophobicContact CG1-CD1 4.23Å; I305-I315 HydrophobicContact CG1-CG1 4.34Å; I305-I349 HydrophobicContact CD1-CD1 3.94Å
306R89.9Confident87.6Confident184 Ų18441.6 Ų41.669%0.69421%0.21SC*.EExtended strand (participates in β ladder)trans-87.4124.5173.6-55.4-153.4161.6154.6-1.7110.8F279 D312F279-R306 WeakPolarHBondContact CZ-O 3.47Å; R306-D312 VanDerWaalsContact CG-OD1 3.27Å; R306-D312 WeakPolarHBondContact CG-OD1 3.38Å; R306-D312 IonicContact NE-OD1 3.89Å; R306-D312 PolarHBondContact NE-OD1 2.98Å
307L89.6Confident87.6Confident13 Ų1340.6 Ų40.67%0.06821%0.205CC..  trans-86.2172.7177-65.2175.7000112.2N309 N310 T311 L313 E334 L347L307-N309 WeakPolarHBondContact CB-OD1 3.34Å; L307-N309 PolarHBondContact O-N 2.82Å; L307-N310 PolarHBondContact O-N 2.85Å; L307-N310 VanDerWaalsContact O-N 3.07Å; L307-T311 PolarHBondContact N-O 3.08Å; L307-L313 HydrophobicContact CD1-CB 3.92Å; L307-L313 HydrophobicContact CD1-CD2 4.29Å; L307-L313 HydrophobicContact CD1-CG 4.48Å; L307-L313 HydrophobicContact CD2-CD2 4.3Å; L307-L313 HydrophobicContact CG-CB 4.02Å; L307-E334 WeakPolarHBondContact CD1-OE2 3.1Å; L307-L347 HydrophobicContact CD2-CD2 4.05Å
308L88.7Confident87.5Confident4 Ų442.5 Ų42.52%0.02122%0.216CC..THydrogen-bonded Turntrans-67.1-13.8-177.8-67.5173.8000114.9L134 E135 Y138 N139 F279 L286 M336L134-L308 HydrophobicContact CB-CD1 4.39Å; L134-L308 HydrophobicContact CB-CD2 4.13Å; E135-L308 HydrophobicContact CG-CD2 3.96Å; Y138-L308 HydrophobicContact CD1-CB 4.3Å; Y138-L308 HydrophobicContact CD2-CB 3.95Å; Y138-L308 HydrophobicContact CD2-CD1 3.82Å; Y138-L308 HydrophobicContact CG-CB 3.8Å; Y138-L308 HydrophobicContact CG-CD1 4.24Å; N139-L308 PolarHBondContact ND2-O 3.02Å; F279-L308 HydrophobicContact CD2-CD2 3.63Å; F279-L308 HydrophobicContact CD2-CG 4.08Å; F279-L308 HydrophobicContact CE2-CD2 4.09Å; F279-L308 HydrophobicContact CE2-CG 4.29Å; F279-L308 HydrophobicContact CG-CD2 4.47Å; L286-L308 HydrophobicContact CD1-CD1 3.65Å; L286-L308 HydrophobicContact CD1-CG 4.5Å; L286-L308 HydrophobicContact CD2-CD1 4.31Å; L308-M336 HydrophobicContact CD1-SD 3.92Å
309N85.6Confident87.1Confident43 Ų4344.6 Ų44.623%0.2323%0.234CC..THydrogen-bonded Turntrans-93.97.7174.261.6-10000113Y138 L307 T311Y138-N309 HydrophobicContact CD1-CB 4.22Å; Y138-N309 HydrophobicContact CE1-CB 3.81Å; L307-N309 WeakPolarHBondContact CB-OD1 3.34Å; L307-N309 PolarHBondContact O-N 2.82Å; N309-T311 VanDerWaalsContact ND2-CG2 3.35Å; N309-T311 WeakPolarHBondContact ND2-CG2 3.1Å; N309-T311 PolarHBondContact ND2-OG1 3.35Å; N309-T311 PolarHBondContact O-N 2.95Å; N309-T311 PolarHBondContact OD1-N 3.33Å; N309-T311 PolarHBondContact OD1-OG1 3.06Å
310N83.4Confident86.8Confident124 Ų12445.7 Ų45.766%0.66325%0.251SS*.SBendtrans63.817.9-172.3-56.2-58.2000115.1L307L307-N310 PolarHBondContact O-N 2.85Å; L307-N310 VanDerWaalsContact O-N 3.07Å
311T85.3Confident86.8Confident66 Ų6648.1 Ų48.141%0.40526%0.26SS..  trans-88.8140.5170.763.70000110.8L307 N309L307-T311 PolarHBondContact N-O 3.08Å; N309-T311 VanDerWaalsContact ND2-CG2 3.35Å; N309-T311 WeakPolarHBondContact ND2-CG2 3.1Å; N309-T311 PolarHBondContact ND2-OG1 3.35Å; N309-T311 PolarHBondContact O-N 2.95Å; N309-T311 PolarHBondContact OD1-N 3.33Å; N309-T311 PolarHBondContact OD1-OG1 3.06Å
312D88.4Confident86.8Confident41 Ų4152.3 Ų52.322%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-84.9121.1175.1-68.8-18.5000109.4R306 P394 A397R306-D312 VanDerWaalsContact CG-OD1 3.27Å; R306-D312 WeakPolarHBondContact CG-OD1 3.38Å; R306-D312 IonicContact NE-OD1 3.89Å; R306-D312 PolarHBondContact NE-OD1 2.98Å; D312-P394 HydrophobicContact CB-CB 4.35Å; D312-P394 HydrophobicContact CB-CG 3.75Å; D312-P394 WeakPolarHBondContact OD2-CG 3.33Å; D312-A397 HydrophobicContact CB-CB 4.12Å; D312-A397 WeakPolarHBondContact O-CA 3.02Å; D312-A397 WeakPolarHBondContact O-CB 3.32Å
313L89.8Confident86.7Confident3 Ų348.1 Ų48.12%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-104.4125.3176-174.474.8000109.4S304 I305 L307 I315 V331 E334 E398 V400S304-L313 CarbonylContact C-O 3.27Å; S304-L313 WeakPolarHBondContact CA-O 3.36Å; I305-L313 PolarHBondContact N-O 3.34Å; I305-L313 PolarHBondContact O-N 3.3Å; L307-L313 HydrophobicContact CD1-CB 3.92Å; L307-L313 HydrophobicContact CD1-CD2 4.29Å; L307-L313 HydrophobicContact CD1-CG 4.48Å; L307-L313 HydrophobicContact CD2-CD2 4.3Å; L307-L313 HydrophobicContact CG-CB 4.02Å; L313-I315 HydrophobicContact CD2-CG2 3.99Å; L313-I315 HydrophobicContact CG-CG2 4.35Å; L313-V331 HydrophobicContact CD2-CG1 4Å; L313-E334 HydrophobicContact CD2-CG 4.14Å; L313-E398 HydrophobicContact CD1-CB 4.37Å; L313-V400 HydrophobicContact CD1-CB 4.34Å; L313-V400 HydrophobicContact CD1-CG2 3.63Å
314I90.2Very high86.7Confident5 Ų554 Ų543%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-91.5110.8174.5-65.2159.4000108.9K302 T303 K393 A397 E398 E399 V400K302-I314 HydrophobicContact CD-CG2 4.22Å; K302-I314 VanDerWaalsContact CE-CG2 3.45Å; K302-I314 HydrophobicContact CG-CG2 3.7Å; T303-I314 CarbonylContact O-C 3.57Å; T303-I314 WeakPolarHBondContact O-CA 3.28Å; I314-K393 HydrophobicContact CD1-CD 4.11Å; I314-K393 HydrophobicContact CD1-CG 3.72Å; I314-A397 HydrophobicContact CD1-CB 3.44Å; I314-A397 VanDerWaalsContact CD1-CB 3.44Å; I314-A397 HydrophobicContact CG1-CB 3.71Å; I314-E398 PolarHBondContact N-O 3.35Å; I314-E399 HydrophobicContact CB-CG 4.12Å; I314-E399 HydrophobicContact CD1-CG 4.03Å; I314-E399 HydrophobicContact CG2-CG 4.17Å; I314-E399 WeakPolarHBondContact O-CA 3.2Å; I314-V400 PolarHBondContact O-N 2.92Å
315I90.2Very high86.7Confident0 Ų055.9 Ų55.90%030%0.302CS..EExtended strand (participates in β ladder)trans-92.6140.8171.763.2162.5000110.1F301 K302 T303 I305 L313 V331 I349 F351 L402F301-I315 HydrophobicContact CE2-CD1 3.84Å; F301-I315 HydrophobicContact CE2-CG1 4.11Å; F301-I315 HydrophobicContact CZ-CD1 3.78Å; F301-I315 HydrophobicContact CZ-CG1 4.35Å; K302-I315 WeakPolarHBondContact CA-O 3.26Å; T303-I315 HydrophobicContact CG2-CD1 3.83Å; T303-I315 HydrophobicContact CG2-CG1 3.52Å; T303-I315 PolarHBondContact N-O 3.31Å; T303-I315 PolarHBondContact O-N 3.05Å; I305-I315 HydrophobicContact CD1-CD1 3.28Å; I305-I315 HydrophobicContact CD1-CG1 3.8Å; I305-I315 HydrophobicContact CD1-CG2 4.22Å; I305-I315 HydrophobicContact CG1-CD1 4.23Å; I305-I315 HydrophobicContact CG1-CG1 4.34Å; L313-I315 HydrophobicContact CD2-CG2 3.99Å; L313-I315 HydrophobicContact CG-CG2 4.35Å; I315-V331 HydrophobicContact CG2-CG2 4.05Å; I315-I349 HydrophobicContact CD1-CD1 3.79Å; I315-I349 HydrophobicContact CG2-CD1 4.35Å; I315-F351 HydrophobicContact CD1-CZ 4.4Å; I315-L402 HydrophobicContact CB-CD1 4.41Å; I315-L402 HydrophobicContact CB-CD2 3.93Å; I315-L402 HydrophobicContact CB-CG 4.15Å; I315-L402 HydrophobicContact CD1-CD1 4.25Å; I315-L402 HydrophobicContact CD1-CD2 4.27Å; I315-L402 HydrophobicContact CG2-CD2 4.08Å
316Y89.6Confident86.6Confident73 Ų7361.7 Ų61.729%0.28633%0.333SS..EExtended strand (participates in β ladder)trans-142.6150.9173.571.7-85.6000112.6F301 E399 V400 R401 L402F301-Y316 VanDerWaalsContact O-CA 3.28Å; F301-Y316 WeakPolarHBondContact O-CA 3.35Å; Y316-E399 HydrophobicContact CE1-CB 4.27Å; Y316-V400 WeakPolarHBondContact CD1-O 3.39Å; Y316-V400 VanDerWaalsContact CE1-C 3.49Å; Y316-V400 PolarHBondContact N-O 3.45Å; Y316-R401 HydrophobicContact CE1-CB 4.15Å; Y316-R401 HydrophobicContact CE2-CB 4.11Å; Y316-R401 HydrophobicContact CE2-CG 4.07Å; Y316-L402 PolarHBondContact O-N 3.14Å; Y316-L402 VanDerWaalsContact O-N 3.1Å
317N87.9Confident86.6Confident5 Ų553.6 Ų53.63%0.02730%0.304CS..  trans-111.9145.4170.3-17415000109.8F301 E321 I323 W329 L402F301-N317 HydrophobicContact CD1-CB 4.2Å; F301-N317 HydrophobicContact CE1-CB 4.22Å; F301-N317 PolarHBondContact O-N 3.45Å; F301-N317 VanDerWaalsContact O-N 3.09Å; N317-E321 PolarHBondContact ND2-O 3.49Å; N317-E321 WeakPolarHBondContact OD1-CB 3.35Å; N317-E321 PolarHBondContact OD1-OE2 3.37Å; N317-I323 HydrophobicContact CB-CD1 4.28Å; N317-I323 VanDerWaalsContact ND2-CG1 3.34Å; N317-I323 WeakPolarHBondContact ND2-CG1 3.22Å; N317-W329 WeakPolarHBondContact OD1-CH2 3.42Å; N317-L402 HydrophobicContact CB-CD1 4.43Å
318T83.4Confident86.7Confident41 Ų4154.5 Ų54.525%0.25231%0.31SS..  trans-75.9137.3179.364.90000111G320 E321T318-G320 PolarHBondContact O-N 2.68Å; T318-G320 VanDerWaalsContact O-N 3.1Å; T318-E321 PolarHBondContact N-OE2 3.14Å; T318-E321 PolarHBondContact O-N 3.13Å; T318-E321 WeakPolarHBondContact OG1-CG 3.48Å; T318-E321 PolarHBondContact OG1-OE2 3.02Å
319P77.6Confident86.9Confident113 Ų11354.5 Ų54.573%0.73431%0.31SS*.THydrogen-bonded Turntrans-57.6118.4175.3-25.935000111.2C299C299-P319 WeakPolarHBondContact O-CA 3.21Å; C299-P319 WeakPolarHBondContact O-CB 3.43Å
320G76.9Confident87.2Confident62 Ų6253.8 Ų53.864%0.63931%0.306SS*.THydrogen-bonded Turntrans115.7-21.8-175.900000114T318T318-G320 PolarHBondContact O-N 2.68Å; T318-G320 VanDerWaalsContact O-N 3.1Å
321E84.1Confident87.6Confident63 Ų6347.9 Ų47.929%0.29427%0.274SS..  trans-82.3116.1168.4-75.5172.516400108.8N317 T318 W329 R401N317-E321 PolarHBondContact ND2-O 3.49Å; N317-E321 WeakPolarHBondContact OD1-CB 3.35Å; N317-E321 PolarHBondContact OD1-OE2 3.37Å; T318-E321 PolarHBondContact N-OE2 3.14Å; T318-E321 PolarHBondContact O-N 3.13Å; T318-E321 WeakPolarHBondContact OG1-CG 3.48Å; T318-E321 PolarHBondContact OG1-OE2 3.02Å; E321-W329 HydrophobicContact CB-CH2 4.18Å; E321-R401 IonicContact OE1-CZ 2.8Å; E321-R401 IonicContact OE1-NH2 2.74Å; E321-R401 PolarHBondContact OE1-NH2 3.21Å; E321-R401 IonicContact OE2-NH2 3.87Å; E321-R401 PolarHBondContact OE2-NH2 2.87Å
322I85.8Confident87.9Confident103 Ų10347.7 Ų47.753%0.52827%0.274SS..  trans-86.6135-176.5-61.4167.9000109.5L298L298-I322 HydrophobicContact CD2-CG2 4.12Å
323I87.8Confident87.9Confident4 Ų447.2 Ų47.22%0.02128%0.279CS..  trans-96111.7171.6-58.2175.6000108.3I292 A297 F301 N317 S327 W329 F351I292-I323 HydrophobicContact CD1-CB 3.93Å; I292-I323 HydrophobicContact CD1-CD1 3.79Å; I292-I323 HydrophobicContact CD1-CG1 4.46Å; I292-I323 HydrophobicContact CD1-CG2 3.7Å; A297-I323 HydrophobicContact CB-CB 4.32Å; A297-I323 PolarHBondContact O-N 2.97Å; A297-I323 VanDerWaalsContact O-N 3.08Å; F301-I323 HydrophobicContact CD1-CD1 3.75Å; F301-I323 HydrophobicContact CE1-CD1 3.36Å; N317-I323 HydrophobicContact CB-CD1 4.28Å; N317-I323 VanDerWaalsContact ND2-CG1 3.34Å; N317-I323 WeakPolarHBondContact ND2-CG1 3.22Å; I323-S327 WeakPolarHBondContact CG2-OG 3.36Å; I323-W329 HydrophobicContact CG1-CZ2 3.77Å; I323-F351 HydrophobicContact CD1-CD2 4.47Å; I323-F351 HydrophobicContact CD1-CE2 4.34Å; I323-F351 HydrophobicContact CD1-CZ 4.49Å; I323-F351 HydrophobicContact CG2-CB 3.58Å; I323-F351 HydrophobicContact CG2-CD2 3.73Å; I323-F351 HydrophobicContact CG2-CG 3.71Å
324E87.3Confident87.9Confident132 Ų13248.6 Ų48.662%0.61729%0.285SS*.  trans-72.4148.4174.2-62.7-175167.900110.6D326 S327E324-D326 PolarHBondContact O-N 3.07Å; E324-S327 PolarHBondContact N-OG 3.43Å; E324-S327 VanDerWaalsContact O-CB 3.23Å; E324-S327 WeakPolarHBondContact O-CB 3.15Å; E324-S327 PolarHBondContact O-N 3.41Å; E324-S327 VanDerWaalsContact O-N 3.11Å; E324-S327 PolarHBondContact O-OG 2.92Å
325P89Confident88Confident84 Ų8448.3 Ų48.355%0.54528%0.284SS..THydrogen-bonded Turntrans-59137.6171.526.5-33.8000110.3S327 V353P325-S327 PolarHBondContact O-N 3.41Å; P325-V353 HydrophobicContact CB-CB 4.31Å; P325-V353 HydrophobicContact CB-CG2 4.26Å
326D88Confident88.1Confident133 Ų13348.3 Ų48.371%0.71128%0.284SS*.THydrogen-bonded Turntrans62.612.7-175.8-56.5-45000114.7E324 F351E324-D326 PolarHBondContact O-N 3.07Å; D326-F351 WeakPolarHBondContact CA-O 3.41Å; D326-F351 PolarHBondContact N-O 3Å
327S89.8Confident88.3Confident13 Ų1345.8 Ų45.89%0.09128%0.276CS..  trans-69.9147.6171.664.50000111.5I323 E324 P325 W329 F351I323-S327 WeakPolarHBondContact CG2-OG 3.36Å; E324-S327 PolarHBondContact N-OG 3.43Å; E324-S327 VanDerWaalsContact O-CB 3.23Å; E324-S327 WeakPolarHBondContact O-CB 3.15Å; E324-S327 PolarHBondContact O-N 3.41Å; E324-S327 VanDerWaalsContact O-N 3.11Å; E324-S327 PolarHBondContact O-OG 2.92Å; P325-S327 PolarHBondContact O-N 3.41Å; S327-W329 PolarHBondContact OG-NE1 3.34Å; S327-F351 PolarHBondContact O-N 3.27Å
328V92.5Very high88.4Confident32 Ų3247.5 Ų47.519%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-107.2129.6177.9-171.30000108.7F348 I349 H350 Y405V328-F348 HydrophobicContact CG1-CB 3.99Å; V328-F348 HydrophobicContact CG1-CD1 3.84Å; V328-F348 HydrophobicContact CG1-CG 4.36Å; V328-I349 WeakPolarHBondContact CA-O 3.47Å; V328-H350 WeakPolarHBondContact CG2-ND1 3.46Å; V328-Y405 VanDerWaalsContact O-CB 3.3Å; V328-Y405 WeakPolarHBondContact O-CB 3.25Å; V328-Y405 PolarHBondContact O-N 2.79Å; V328-Y405 VanDerWaalsContact O-N 3.13Å
329W92.1Very high88.5Confident5 Ų548.2 Ų48.22%0.01929%0.292CS..EExtended strand (participates in β ladder)trans-120.6152.8173.5-69.961.8000109.7N317 E321 I323 S327 F348 I349 F351 L402 L403 H404N317-W329 WeakPolarHBondContact OD1-CH2 3.42Å; E321-W329 HydrophobicContact CB-CH2 4.18Å; I323-W329 HydrophobicContact CG1-CZ2 3.77Å; S327-W329 PolarHBondContact OG-NE1 3.34Å; W329-F348 CarbonylContact O-C 3.57Å; W329-F348 WeakPolarHBondContact O-CA 3.24Å; W329-I349 PolarHBondContact N-O 3.43Å; W329-I349 PolarHBondContact O-N 2.89Å; W329-F351 HydrophobicContact CB-CD2 4.27Å; W329-F351 HydrophobicContact CB-CE2 3.69Å; W329-F351 AromaticContact CD1-CD2 3.51Å; W329-F351 AromaticContact CD1-CE2 3.67Å; W329-F351 HydrophobicContact CD2-CE2 4.4Å; W329-F351 AromaticContact CG-CD2 3.98Å; W329-F351 HydrophobicContact CG-CD2 3.98Å; W329-F351 AromaticContact CG-CE2 3.64Å; W329-F351 HydrophobicContact CG-CE2 3.64Å; W329-L402 HydrophobicContact CD2-CB 4.28Å; W329-L402 HydrophobicContact CE3-CB 3.4Å; W329-L402 HydrophobicContact CZ3-CB 3.89Å; W329-L403 CarbonylContact C-O 3.42Å; W329-L403 WeakPolarHBondContact CA-O 3.26Å; W329-L403 VanDerWaalsContact CE3-C 3.47Å; W329-H404 HydrophobicContact CD2-CB 4.45Å; W329-H404 AromaticContact CE2-CD2 3.9Å; W329-H404 HydrophobicContact CE3-CB 4.35Å; W329-H404 HydrophobicContact CH2-CB 4.44Å; W329-H404 HydrophobicContact CZ2-CB 4.44Å; W329-H404 HydrophobicContact CZ3-CB 4.38Å; W329-H404 AromaticContact NE1-CD2 3.84Å
330M92.7Very high88.9Confident28 Ų2853.8 Ų53.814%0.13831%0.305CS..EExtended strand (participates in β ladder)trans-115.3136-176-175.3-167.7-76.100110.6N346 L347 F348 L403 Y405M330-N346 HydrophobicContact CE-CB 4.24Å; M330-N346 HydrophobicContact CG-CB 3.83Å; M330-N346 HydrophobicContact SD-CB 3.93Å; M330-L347 CarbonylContact C-O 3.53Å; M330-L347 WeakPolarHBondContact CA-O 3.12Å; M330-F348 HydrophobicContact CB-CD1 4.28Å; M330-F348 HydrophobicContact CB-CE1 4.34Å; M330-F348 HydrophobicContact CE-CD1 4.25Å; M330-F348 HydrophobicContact CE-CE1 3.25Å; M330-F348 HydrophobicContact CE-CZ 3.43Å; M330-F348 VanDerWaalsContact CE-CZ 3.43Å; M330-F348 HydrophobicContact CG-CD1 4.44Å; M330-F348 HydrophobicContact CG-CE1 4.27Å; M330-L403 PolarHBondContact N-O 3.42Å; M330-L403 PolarHBondContact O-N 2.75Å; M330-Y405 HydrophobicContact CE-CD2 3.61Å; M330-Y405 HydrophobicContact CE-CE2 3.77Å
331V92.1Very high89.4Confident0 Ų053.2 Ų53.20%029%0.291CS..EExtended strand (participates in β ladder)trans-102.6110.3159.8-179.10000107.3L313 I315 E334 L347 I349 V400 L402L313-V331 HydrophobicContact CD2-CG1 4Å; I315-V331 HydrophobicContact CG2-CG2 4.05Å; V331-E334 HydrophobicContact CB-CB 4.44Å; V331-E334 HydrophobicContact CG1-CB 3.82Å; V331-E334 HydrophobicContact CG1-CG 3.62Å; V331-L347 HydrophobicContact CB-CB 4.2Å; V331-L347 PolarHBondContact N-O 2.89Å; V331-L347 PolarHBondContact O-N 3.19Å; V331-I349 HydrophobicContact CG2-CD1 4.05Å; V331-V400 HydrophobicContact CG1-CB 4.42Å; V331-V400 HydrophobicContact CG1-CG1 3.81Å; V331-L402 HydrophobicContact CG2-CD2 3.64Å
332P90.4Very high89.5Confident62 Ų6259.6 Ų59.640%0.40332%0.321SS..THydrogen-bonded Turntrans-69136-177.928.6-33.8000110.8E334 N346 L403P332-E334 PolarHBondContact O-N 3.31Å; P332-N346 WeakPolarHBondContact CA-OD1 3.3Å; P332-L403 HydrophobicContact CG-CD1 4.02Å
333G89.4Confident89.7Confident31 Ų3162.3 Ų62.332%0.3233%0.329SS..THydrogen-bonded Turntrans81.30.7173.400000116.8K344 G345 N346G333-K344 VanDerWaalsContact O-CB 3.29Å; G333-K344 WeakPolarHBondContact O-CB 3.45Å; G333-K344 WeakPolarHBondContact O-CD 3.43Å; G333-G345 CarbonylContact C-O 3.57Å; G333-G345 VanDerWaalsContact CA-O 3.26Å; G333-G345 WeakPolarHBondContact CA-O 3.33Å; G333-G345 PolarHBondContact N-O 3.02Å; G333-N346 PolarHBondContact N-OD1 2.95Å; G333-N346 VanDerWaalsContact N-OD1 3.13Å
334E89.3Confident89.8Confident31 Ų3166.2 Ų66.215%0.14535%0.346CS..  trans-103.122.1-179.6-67.9-55.7147.200114.7L307 L313 V331 P332 G345 L347L307-E334 WeakPolarHBondContact CD1-OE2 3.1Å; L313-E334 HydrophobicContact CD2-CG 4.14Å; V331-E334 HydrophobicContact CB-CB 4.44Å; V331-E334 HydrophobicContact CG1-CB 3.82Å; V331-E334 HydrophobicContact CG1-CG 3.62Å; P332-E334 PolarHBondContact O-N 3.31Å; E334-G345 PolarHBondContact N-O 2.96Å; E334-L347 HydrophobicContact CB-CB 4.06Å
335G91.4Very high90.1Very high0 Ų060.3 Ų60.30%032%0.32CS..SBendtrans-89.9-162.5174.900000114.3Y138 G345Y138-G335 VanDerWaalsContact CE2-O 3.31Å; Y138-G335 WeakPolarHBondContact CE2-O 3.3Å; G335-G345 VanDerWaalsContact CA-C 3.45Å; G335-G345 WeakPolarHBondContact CA-O 3.27Å; G335-G345 PolarHBondContact N-O 3.4Å
336M93.2Very high90.3Very high0 Ų058.4 Ų58.40%031%0.305CS..PPolyproline II helixtrans-69.9144.7176.9-67.5-65.1-67.900111.6L137 Y138 R281 N284 L286 L308 K344 G345L137-M336 HydrophobicContact CB-CE 3.86Å; Y138-M336 HydrophobicContact CD2-SD 3.99Å; R281-M336 HydrophobicContact CG-CG 4.06Å; N284-M336 WeakPolarHBondContact O-CA 3.07Å; N284-M336 WeakPolarHBondContact O-CB 3.33Å; N284-M336 PolarHBondContact O-N 3.04Å; L286-M336 HydrophobicContact CD1-CG 4.43Å; L286-M336 HydrophobicContact CD1-SD 4.33Å; L286-M336 HydrophobicContact CD2-CG 3.74Å; L286-M336 HydrophobicContact CD2-SD 3.92Å; L286-M336 HydrophobicContact CG-CG 3.99Å; L286-M336 HydrophobicContact CG-SD 4.4Å; L308-M336 HydrophobicContact CD1-SD 3.92Å; M336-K344 WeakPolarHBondContact O-CA 3.3Å; M336-G345 PolarHBondContact O-N 3.06Å
337P93.3Very high90.6Very high20 Ų2052.1 Ų52.113%0.1327%0.271CS..BIsolated β-bridgetrans-64139.2173.424.6-31.4000111.1P242 G243P242-P337 HydrophobicContact CB-CB 4.31Å; P242-P337 HydrophobicContact CB-CG 3.84Å; G243-P337 WeakPolarHBondContact CA-O 3.23Å
338V90.9Very high90.9Very high40 Ų4052.1 Ų52.124%0.24227%0.27CS..PPolyproline II helixtrans-86126.1177.4-179.70000109.3N284 K340 S341 F343N284-V338 HydrophobicContact CB-CG2 4.18Å; V338-K340 PolarHBondContact O-N 3.3Å; V338-S341 PolarHBondContact O-N 2.8Å; V338-S341 VanDerWaalsContact O-N 3.09Å; V338-F343 PolarHBondContact N-O 3.37Å
339P85.8Confident90.9Very high57 Ų5750.6 Ų50.637%0.3726%0.261SS..THydrogen-bonded Turntrans-53.9135.4178.2-26.433.9000112.1G243 S341G243-P339 WeakPolarHBondContact O-CG 3.36Å; P339-S341 PolarHBondContact O-N 3.29Å
340K84.7Confident91Very high229 Ų22953.3 Ų53.3100%0.99627%0.273SS*.THydrogen-bonded Turntrans65.410.1-179.2-49.3177.5179.9179.10115.6V338V338-K340 PolarHBondContact O-N 3.3Å
341S87.9Confident91Very high50 Ų5052 Ų5235%0.3527%0.267SS..SBendtrans-126.9154.2179.2-179.70000110.2V338 P339 F343V338-S341 PolarHBondContact O-N 2.8Å; V338-S341 VanDerWaalsContact O-N 3.09Å; P339-S341 PolarHBondContact O-N 3.29Å; S341-F343 VanDerWaalsContact C-N 3.27Å; S341-F343 VanDerWaalsContact OG-CD2 3.23Å; S341-F343 WeakPolarHBondContact OG-CD2 3.3Å; S341-F343 PolarHBondContact OG-N 3.37Å
342H85.6Confident91Very high197 Ų19757.3 Ų57.391%0.91229%0.292SS*.SBendtrans-83.2-8.3171.4-65.4-68.3000112.5
343F89.7Confident91Very high161 Ų16155.2 Ų55.271%0.70628%0.278SS*.  trans-81.5146.3179.9-61.3-66.9000111.8V338 S341V338-F343 PolarHBondContact N-O 3.37Å; S341-F343 VanDerWaalsContact C-N 3.27Å; S341-F343 VanDerWaalsContact OG-CD2 3.23Å; S341-F343 WeakPolarHBondContact OG-CD2 3.3Å; S341-F343 PolarHBondContact OG-N 3.37Å
344K91.7Very high91Very high86 Ų8657.3 Ų57.337%0.37428%0.284SS..BIsolated β-bridgetrans-105.9156.3169.3-61.9179.1-174.6177.80109.1Y138 G333 M336Y138-K344 WeakPolarHBondContact OH-CE 3.47Å; Y138-K344 PolarHBondContact OH-NZ 3.33Å; G333-K344 VanDerWaalsContact O-CB 3.29Å; G333-K344 WeakPolarHBondContact O-CB 3.45Å; G333-K344 WeakPolarHBondContact O-CD 3.43Å; M336-K344 WeakPolarHBondContact O-CA 3.3Å
345G91.8Very high90.7Very high7 Ų762 Ų627%0.07230%0.304CS..  trans-71.8-161.8169.200000112.1N284 D285 G333 E334 G335 M336N284-G345 WeakPolarHBondContact O-CA 3.38Å; D285-G345 WeakPolarHBondContact OD1-CA 3.43Å; G333-G345 CarbonylContact C-O 3.57Å; G333-G345 VanDerWaalsContact CA-O 3.26Å; G333-G345 WeakPolarHBondContact CA-O 3.33Å; G333-G345 PolarHBondContact N-O 3.02Å; E334-G345 PolarHBondContact N-O 2.96Å; G335-G345 VanDerWaalsContact CA-C 3.45Å; G335-G345 WeakPolarHBondContact CA-O 3.27Å; G335-G345 PolarHBondContact N-O 3.4Å; M336-G345 PolarHBondContact O-N 3.06Å
346N94.1Very high90.1Very high45 Ų4565.5 Ų65.524%0.24133%0.327CS..  trans-111.1154.7-177.9-56-51.7000111.8D285 L286 M330 P332 G333 F348D285-N346 CarbonylContact C-O 3.21Å; D285-N346 VanDerWaalsContact CA-O 3.27Å; D285-N346 WeakPolarHBondContact CA-O 3.35Å; D285-N346 WeakPolarHBondContact CB-O 3.26Å; D285-N346 PolarHBondContact OD1-N 3.13Å; L286-N346 PolarHBondContact N-O 3.45Å; M330-N346 HydrophobicContact CE-CB 4.24Å; M330-N346 HydrophobicContact CG-CB 3.83Å; M330-N346 HydrophobicContact SD-CB 3.93Å; P332-N346 WeakPolarHBondContact CA-OD1 3.3Å; G333-N346 PolarHBondContact N-OD1 2.95Å; G333-N346 VanDerWaalsContact N-OD1 3.13Å; N346-F348 HydrophobicContact CB-CE2 4.41Å
347L94.3Very high89.2Confident0 Ų072.5 Ų72.50%037%0.369CS..EExtended strand (participates in β ladder)trans-102.3118.5171172.968.6000109.3F279 L286 M288 L307 M330 V331 E334 I349F279-L347 HydrophobicContact CD1-CD1 4.14Å; F279-L347 HydrophobicContact CE1-CD1 3.97Å; L286-L347 HydrophobicContact CB-CD1 3.7Å; L286-L347 CarbonylContact O-C 3.5Å; L286-L347 WeakPolarHBondContact O-CA 3.35Å; M288-L347 HydrophobicContact CG-CD1 4.11Å; M288-L347 HydrophobicContact SD-CD1 4.17Å; M288-L347 HydrophobicContact SD-CD2 4.14Å; M288-L347 HydrophobicContact SD-CG 4.48Å; L307-L347 HydrophobicContact CD2-CD2 4.05Å; M330-L347 CarbonylContact C-O 3.53Å; M330-L347 WeakPolarHBondContact CA-O 3.12Å; V331-L347 HydrophobicContact CB-CB 4.2Å; V331-L347 PolarHBondContact N-O 2.89Å; V331-L347 PolarHBondContact O-N 3.19Å; E334-L347 HydrophobicContact CB-CB 4.06Å; L347-I349 HydrophobicContact CD2-CD1 4.43Å; L347-I349 HydrophobicContact CD2-CG1 4.45Å; L347-I349 HydrophobicContact CG-CG1 4.21Å
348F95.2Very high88Confident13 Ų1377.7 Ų77.76%0.05740%0.395CS..EExtended strand (participates in β ladder)trans-97.8125.7174.5-66.5-78.7000110.4D285 L286 H287 M288 V328 W329 M330 N346 Y405D285-F348 HydrophobicContact CB-CD2 3.91Å; D285-F348 HydrophobicContact CB-CE2 3.64Å; L286-F348 PolarHBondContact O-N 3.21Å; H287-F348 CarbonylContact C-O 3.6Å; H287-F348 VanDerWaalsContact CA-O 3.28Å; H287-F348 WeakPolarHBondContact CA-O 3.46Å; H287-F348 AromaticContact CE1-CD2 3.45Å; H287-F348 VanDerWaalsContact CE1-CD2 3.45Å; H287-F348 WeakPolarHBondContact CE1-CD2 3.4Å; H287-F348 AromaticContact CE1-CG 3.66Å; H287-F348 VanDerWaalsContact ND1-CB 3.29Å; H287-F348 WeakPolarHBondContact ND1-CB 3.03Å; H287-F348 AromaticContact ND1-CD2 3.96Å; H287-F348 AromaticContact ND1-CG 3.87Å; H287-F348 AromaticContact NE2-CD2 3.85Å; M288-F348 PolarHBondContact N-O 3.21Å; V328-F348 HydrophobicContact CG1-CB 3.99Å; V328-F348 HydrophobicContact CG1-CD1 3.84Å; V328-F348 HydrophobicContact CG1-CG 4.36Å; W329-F348 CarbonylContact O-C 3.57Å; W329-F348 WeakPolarHBondContact O-CA 3.24Å; M330-F348 HydrophobicContact CB-CD1 4.28Å; M330-F348 HydrophobicContact CB-CE1 4.34Å; M330-F348 HydrophobicContact CE-CD1 4.25Å; M330-F348 HydrophobicContact CE-CE1 3.25Å; M330-F348 HydrophobicContact CE-CZ 3.43Å; M330-F348 VanDerWaalsContact CE-CZ 3.43Å; M330-F348 HydrophobicContact CG-CD1 4.44Å; M330-F348 HydrophobicContact CG-CE1 4.27Å; N346-F348 HydrophobicContact CB-CE2 4.41Å; F348-Y405 HydrophobicContact CD1-CD2 4.49Å; F348-Y405 HydrophobicContact CD1-CG 4.41Å; F348-Y405 HydrophobicContact CE1-CD1 4.31Å; F348-Y405 AromaticContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CE1 4.38Å; F348-Y405 AromaticContact CE1-CE2 3.69Å; F348-Y405 HydrophobicContact CE1-CE2 3.69Å; F348-Y405 AromaticContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CZ-CE2 4.17Å
349I94.2Very high86.7Confident0 Ų083.1 Ų83.10%043%0.429CS..EExtended strand (participates in β ladder)trans-111116.5-180-51.7-176.6000107.6M288 I305 I315 V328 W329 V331 L347 F351 L402M288-I349 HydrophobicContact CG-CB 4.23Å; M288-I349 HydrophobicContact CG-CG1 3.85Å; M288-I349 HydrophobicContact CG-CG2 4.14Å; M288-I349 HydrophobicContact SD-CD1 4.17Å; M288-I349 HydrophobicContact SD-CG1 3.97Å; I305-I349 HydrophobicContact CD1-CD1 3.94Å; I315-I349 HydrophobicContact CD1-CD1 3.79Å; I315-I349 HydrophobicContact CG2-CD1 4.35Å; V328-I349 WeakPolarHBondContact CA-O 3.47Å; W329-I349 PolarHBondContact N-O 3.43Å; W329-I349 PolarHBondContact O-N 2.89Å; V331-I349 HydrophobicContact CG2-CD1 4.05Å; L347-I349 HydrophobicContact CD2-CD1 4.43Å; L347-I349 HydrophobicContact CD2-CG1 4.45Å; L347-I349 HydrophobicContact CG-CG1 4.21Å; I349-F351 HydrophobicContact CB-CE2 4.25Å; I349-F351 HydrophobicContact CB-CZ 4.25Å; I349-F351 HydrophobicContact CG2-CD1 4.26Å; I349-F351 HydrophobicContact CG2-CD2 4.38Å; I349-F351 HydrophobicContact CG2-CE1 3.82Å; I349-F351 HydrophobicContact CG2-CE2 3.99Å; I349-F351 HydrophobicContact CG2-CZ 3.66Å; I349-L402 HydrophobicContact CD1-CD2 3.96Å
350H93.5Very high85.6Confident62 Ų6283.5 Ų83.529%0.28743%0.433SS..EExtended strand (participates in β ladder)trans-88115.6172.1-64.3-96.3000108.2H287 M288 K289 Y290 V328H287-H350 AromaticContact CG-NE2 3.83Å; H287-H350 AromaticContact ND1-CD2 3.93Å; H287-H350 AromaticContact ND1-NE2 3.12Å; H287-H350 PolarHBondContact ND1-NE2 3.23Å; H287-H350 VanDerWaalsContact ND1-NE2 3.12Å; M288-H350 PolarHBondContact O-N 3.17Å; K289-H350 WeakPolarHBondContact CA-O 3.46Å; K289-H350 HydrophobicContact CG-CB 4.33Å; Y290-H350 PolarHBondContact N-O 3.03Å; V328-H350 WeakPolarHBondContact CG2-ND1 3.46Å
351F92.5Very high84.5Confident1 Ų178.6 Ų78.60%0.00441%0.412CS..EExtended strand (participates in β ladder)trans-91122.1-178.3-74.1-71.8000112Y290 I292 F301 I315 I323 D326 S327 W329 I349 L402Y290-F351 HydrophobicContact CD1-CD1 4.01Å; Y290-F351 AromaticContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CD1-CE1 3.69Å; Y290-F351 HydrophobicContact CG-CE1 4.37Å; Y290-F351 WeakPolarHBondContact O-CA 3.35Å; I292-F351 HydrophobicContact CD1-CB 4.28Å; I292-F351 HydrophobicContact CD1-CD1 3.93Å; I292-F351 HydrophobicContact CD1-CG 4.26Å; I292-F351 HydrophobicContact CG1-CD1 4.24Å; I292-F351 HydrophobicContact CG2-CD1 3.88Å; I292-F351 HydrophobicContact CG2-CE1 4.07Å; F301-F351 AromaticContact CE1-CE1 3.88Å; F301-F351 HydrophobicContact CE1-CE1 3.88Å; F301-F351 AromaticContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE1-CZ 3.92Å; F301-F351 HydrophobicContact CE2-CE1 4.4Å; F301-F351 AromaticContact CZ-CE1 3.46Å; F301-F351 HydrophobicContact CZ-CE1 3.46Å; F301-F351 VanDerWaalsContact CZ-CE1 3.46Å; F301-F351 AromaticContact CZ-CZ 3.58Å; F301-F351 HydrophobicContact CZ-CZ 3.58Å; I315-F351 HydrophobicContact CD1-CZ 4.4Å; I323-F351 HydrophobicContact CD1-CD2 4.47Å; I323-F351 HydrophobicContact CD1-CE2 4.34Å; I323-F351 HydrophobicContact CD1-CZ 4.49Å; I323-F351 HydrophobicContact CG2-CB 3.58Å; I323-F351 HydrophobicContact CG2-CD2 3.73Å; I323-F351 HydrophobicContact CG2-CG 3.71Å; D326-F351 WeakPolarHBondContact CA-O 3.41Å; D326-F351 PolarHBondContact N-O 3Å; S327-F351 PolarHBondContact O-N 3.27Å; W329-F351 HydrophobicContact CB-CD2 4.27Å; W329-F351 HydrophobicContact CB-CE2 3.69Å; W329-F351 AromaticContact CD1-CD2 3.51Å; W329-F351 AromaticContact CD1-CE2 3.67Å; W329-F351 HydrophobicContact CD2-CE2 4.4Å; W329-F351 AromaticContact CG-CD2 3.98Å; W329-F351 HydrophobicContact CG-CD2 3.98Å; W329-F351 AromaticContact CG-CE2 3.64Å; W329-F351 HydrophobicContact CG-CE2 3.64Å; I349-F351 HydrophobicContact CB-CE2 4.25Å; I349-F351 HydrophobicContact CB-CZ 4.25Å; I349-F351 HydrophobicContact CG2-CD1 4.26Å; I349-F351 HydrophobicContact CG2-CD2 4.38Å; I349-F351 HydrophobicContact CG2-CE1 3.82Å; I349-F351 HydrophobicContact CG2-CE2 3.99Å; I349-F351 HydrophobicContact CG2-CZ 3.66Å; F351-L402 HydrophobicContact CE2-CD1 4.12Å; F351-L402 HydrophobicContact CZ-CD1 3.72Å
352E92.4Very high83.3Confident112 Ų11276.8 Ų76.852%0.52340%0.4SS..EExtended strand (participates in β ladder)trans-100.9115.6170.3-172.5176.9174.900109Y290 S291 I292 V354Y290-E352 PolarHBondContact O-N 3.42Å; S291-E352 CarbonylContact C-O 3.59Å; S291-E352 VanDerWaalsContact CA-O 3.27Å; S291-E352 WeakPolarHBondContact CA-O 3.48Å; I292-E352 PolarHBondContact N-O 3.33Å; E352-V354 PolarHBondContact O-N 2.84Å
353V90.4Very high82.1Confident17 Ų1771 Ų7110%0.10338%0.379CS..EExtended strand (participates in β ladder)trans-87.2110.3-179.5-178.10000109.5I292 L294 A297 P325 F355I292-V353 HydrophobicContact CD1-CG2 4.22Å; I292-V353 HydrophobicContact CG1-CG2 4.08Å; I292-V353 CarbonylContact O-C 3.54Å; I292-V353 WeakPolarHBondContact O-CA 3.24Å; L294-V353 HydrophobicContact CB-CG1 4.34Å; L294-V353 HydrophobicContact CD1-CG1 4.04Å; A297-V353 HydrophobicContact CB-CG1 4.14Å; A297-V353 HydrophobicContact CB-CG2 3.99Å; P325-V353 HydrophobicContact CB-CB 4.31Å; P325-V353 HydrophobicContact CB-CG2 4.26Å; V353-F355 HydrophobicContact CG1-CE2 4.29Å
354V88.3Confident81Confident75 Ų7572.7 Ų72.746%0.45539%0.386SS..EExtended strand (participates in β ladder)trans-88119.4179-177.90000109.7I292 L294 E352I292-V354 PolarHBondContact O-N 2.88Å; L294-V354 PolarHBondContact N-O 3.41Å; E352-V354 PolarHBondContact O-N 2.84Å
355F83.3Confident79.5Confident130 Ų13071.8 Ų71.857%0.5739%0.394SS*.PPolyproline II helixtrans-81.1142.1173.2-73.5-100.2000110.7L294 V353L294-F355 HydrophobicContact CD1-CD1 4.49Å; L294-F355 HydrophobicContact CD1-CE1 3.82Å; L294-F355 HydrophobicContact CD1-CZ 3.95Å; L294-F355 HydrophobicContact CD2-CD1 3.81Å; L294-F355 HydrophobicContact CD2-CE1 3.66Å; L294-F355 HydrophobicContact CG-CE1 4.27Å; V353-F355 HydrophobicContact CG1-CE2 4.29Å
356P78.5Confident77.9Confident73 Ų7376.4 Ų76.447%0.47441%0.414SS..PPolyproline II helixtrans-63.3138.8172.627.1-33.1000110.4L358P356-L358 PolarHBondContact O-N 3.13Å; P356-L358 VanDerWaalsContact O-N 3.15Å
357V75.1Confident76.3Confident147 Ų14777.2 Ų77.289%0.89142%0.418SS*.SBendtrans-69-11.5-176.7-172.40000112.9T359V357-T359 PolarHBondContact O-N 3.12Å
358L69.3Low74.6Confident129 Ų12979.7 Ų79.768%0.67544%0.438SS*.  trans-70.8126.9-177.8-59.5175.6000110.6P356 S360P356-L358 PolarHBondContact O-N 3.13Å; P356-L358 VanDerWaalsContact O-N 3.15Å; L358-S360 PolarHBondContact O-N 3.47Å
359T62.9Low72.9Confident155 Ų15584.2 Ų84.295%0.95147%0.467SS*.SBendtrans-65.3-16.3175.148.20000113.2V357V357-T359 PolarHBondContact O-N 3.12Å
360S63.2Low71Confident65 Ų6589.2 Ų89.246%0.45549%0.485SS..  trans-139126.817163.10000110.3L358 A362L358-S360 PolarHBondContact O-N 3.47Å; S360-A362 PolarHBondContact O-N 3.45Å
361F61.8Low69Low126 Ų12688.3 Ų88.355%0.55349%0.486SS*.SBendtrans-74.9-11.7176.960.4-90.3000113.6L384F361-L384 HydrophobicContact CE2-CB 4.45Å
362A60.9Low67.1Low12 Ų1293.8 Ų93.810%0.09952%0.522CS..SBendtrans-157.3145.1176.800000109.6S360 E366 I367S360-A362 PolarHBondContact O-N 3.45Å; A362-E366 HydrophobicContact CB-CB 4.13Å; A362-I367 HydrophobicContact CB-CD1 4.13Å; A362-I367 HydrophobicContact CB-CG1 3.5Å
363T61.9Low65.4Low76 Ų7692.7 Ų92.747%0.46653%0.527SS..  trans-68.6153.1169.2550000110.2A365 E366 I367T363-A365 PolarHBondContact O-N 3.46Å; T363-E366 PolarHBondContact N-OE2 3.06Å; T363-E366 PolarHBondContact O-N 3.44Å; T363-E366 VanDerWaalsContact OG1-CG 3.27Å; T363-E366 WeakPolarHBondContact OG1-CG 3.32Å; T363-E366 PolarHBondContact OG1-N 3.2Å; T363-E366 PolarHBondContact OG1-OE2 3.34Å; T363-I367 WeakPolarHBondContact O-CG1 3.23Å; T363-I367 PolarHBondContact O-N 2.86Å
364K64.9Low63.4Low196 Ų19695 Ų9585%0.85254%0.539SS*.Hα-helixtrans-51.1-32.4177.4-73.8-176.4179.5179.20112.6A368K364-A368 WeakPolarHBondContact O-CB 3.49Å; K364-A368 PolarHBondContact O-N 2.89Å; K364-A368 VanDerWaalsContact O-N 3.08Å
365A60.5Low61.6Low66 Ų6695.3 Ų95.355%0.54554%0.542SS..Hα-helixtrans-69.3-44.1175.700000112.8T363 A368 V369T363-A365 PolarHBondContact O-N 3.46Å; A365-A368 PolarHBondContact O-N 3.43Å; A365-V369 VanDerWaalsContact O-CG2 3.26Å; A365-V369 WeakPolarHBondContact O-CG2 3.38Å; A365-V369 PolarHBondContact O-N 2.98Å
366E59.7Low60.1Low105 Ų10596.2 Ų96.249%0.49155%0.551SS.*Hα-helixtrans-67.2-36.9177.4-72.5164.2152.700112.4A362 T363 R370A362-E366 HydrophobicContact CB-CB 4.13Å; T363-E366 PolarHBondContact N-OE2 3.06Å; T363-E366 PolarHBondContact O-N 3.44Å; T363-E366 VanDerWaalsContact OG1-CG 3.27Å; T363-E366 WeakPolarHBondContact OG1-CG 3.32Å; T363-E366 PolarHBondContact OG1-N 3.2Å; T363-E366 PolarHBondContact OG1-OE2 3.34Å; E366-R370 WeakPolarHBondContact O-CB 3.44Å; E366-R370 PolarHBondContact O-N 3.28Å
367I59.4Low58.5Low62 Ų62101.5 Ų101.532%0.31857%0.572SS.*Hα-helixtrans-62.5-46.8172.7-60.2171.8000109.5A362 T363 V369 R370 C371A362-I367 HydrophobicContact CB-CD1 4.13Å; A362-I367 HydrophobicContact CB-CG1 3.5Å; T363-I367 WeakPolarHBondContact O-CG1 3.23Å; T363-I367 PolarHBondContact O-N 2.86Å; I367-V369 PolarHBondContact O-N 3.18Å; I367-R370 PolarHBondContact O-N 2.93Å; I367-C371 WeakPolarHBondContact O-CB 3.32Å; I367-C371 PolarHBondContact O-N 3.12Å; I367-C371 PolarHBondContact O-SG 3.05Å
368A58.3Low57.2Low52 Ų52100.6 Ų100.643%0.4356%0.558SS.*Hα-helixtrans-62.8-43.417900000112.6K364 A365 C371 C372K364-A368 WeakPolarHBondContact O-CB 3.49Å; K364-A368 PolarHBondContact O-N 2.89Å; K364-A368 VanDerWaalsContact O-N 3.08Å; A365-A368 PolarHBondContact O-N 3.43Å; A368-C371 PolarHBondContact O-N 2.86Å; A368-C372 WeakPolarHBondContact O-CB 3.44Å; A368-C372 PolarHBondContact O-N 3.2Å; A368-C372 PolarHBondContact O-SG 3.36Å
369V59.8Low56.3Low108 Ų10896.3 Ų96.366%0.65554%0.535SS*.Hα-helixtrans-66.1-40.8179.9172.20000111.9A365 I367 S373A365-V369 VanDerWaalsContact O-CG2 3.26Å; A365-V369 WeakPolarHBondContact O-CG2 3.38Å; A365-V369 PolarHBondContact O-N 2.98Å; I367-V369 PolarHBondContact O-N 3.18Å; V369-S373 PolarHBondContact O-OG 3.35Å
370R54.5Low55.7Low105 Ų10596.4 Ų96.440%0.39652%0.523SS..Hα-helixtrans-74.7-34.1177.2-80179.3168.8174-10.6112.9E366 I367 S373 T383 L384E366-R370 WeakPolarHBondContact O-CB 3.44Å; E366-R370 PolarHBondContact O-N 3.28Å; I367-R370 PolarHBondContact O-N 2.93Å; R370-S373 PolarHBondContact O-OG 3.25Å; R370-T383 PolarHBondContact NH1-O 3.35Å; R370-T383 PolarHBondContact NH2-O 3.44Å; R370-L384 HydrophobicContact CB-CD2 4.3Å
371C52.1Low55.5Low43 Ų4398.6 Ų98.629%0.29153%0.528SS..Hα-helixtrans-72.8-24.6175.7-70.80000113.7I367 A368 I379I367-C371 WeakPolarHBondContact O-CB 3.32Å; I367-C371 PolarHBondContact O-N 3.12Å; I367-C371 PolarHBondContact O-SG 3.05Å; A368-C371 PolarHBondContact O-N 2.86Å; C371-I379 HydrophobicContact CB-CD1 4.26Å; C371-I379 VanDerWaalsContact SG-CD1 3.52Å
372C52.2Low55.3Low115 Ų11594.7 Ų94.778%0.77752%0.519SS*.THydrogen-bonded Turntrans-80.9-12.6179.4-75.80000114.4A368A368-C372 WeakPolarHBondContact O-CB 3.44Å; A368-C372 PolarHBondContact O-N 3.2Å; A368-C372 PolarHBondContact O-SG 3.36Å
373S55.8Low55.1Low90 Ų9096.5 Ų96.563%0.62953%0.529SS*.SBendtrans-103.3-5.1-176.1510000114.5V369 R370V369-S373 PolarHBondContact O-OG 3.35Å; R370-S373 PolarHBondContact O-OG 3.25Å
374L49.9Very low55Low66 Ų6694.6 Ų94.635%0.34652%0.516SS..SBendtrans-133.4140.7176.8-67.2170.8000109.4I376 I379L374-I376 PolarHBondContact O-N 3.07Å; L374-I379 HydrophobicContact CB-CG1 4.5Å
375P50.1Low54.9Low80 Ų8086.4 Ų86.452%0.51948%0.481SS..  trans-54134.6168.424.5-31.4000108.1M377 E378P375-M377 PolarHBondContact O-N 3.47Å; P375-E378 HydrophobicContact CG-CB 4.34Å; P375-E378 HydrophobicContact CG-CG 4.34Å; P375-E378 PolarHBondContact O-N 2.88Å
376I51.9Low54.9Low149 Ų14987.3 Ų87.376%0.76448%0.481SS*.THydrogen-bonded Turntrans-51-18.1-173.4-63.5165.8000112.8L374L374-I376 PolarHBondContact O-N 3.07Å
377M43.5Very low54.9Low184 Ų18489 Ų8991%0.90649%0.489SS*.THydrogen-bonded Turntrans-79.8-15.4178.7-59-93.9-83.900114.6P375P375-M377 PolarHBondContact O-N 3.47Å
378E48.1Very low54.9Low128 Ų12889.3 Ų89.360%0.59850%0.495SS*.  trans-123.718.8-172.7-66.8-170.9168.500114.2P375 K380P375-E378 HydrophobicContact CG-CB 4.34Å; P375-E378 HydrophobicContact CG-CG 4.34Å; P375-E378 PolarHBondContact O-N 2.88Å; E378-K380 PolarHBondContact O-N 3.3Å
379I50.3Low54.9Low39 Ų3992.6 Ų92.620%0.251%0.51CS..  trans-67.991172-54.7174.1000107.6C371 L374 I381 L384C371-I379 HydrophobicContact CB-CD1 4.26Å; C371-I379 VanDerWaalsContact SG-CD1 3.52Å; L374-I379 HydrophobicContact CB-CG1 4.5Å; I379-I381 PolarHBondContact O-N 2.75Å; I379-L384 HydrophobicContact CG2-CD1 3.62Å; I379-L384 HydrophobicContact CG2-CD2 4.06Å; I379-L384 HydrophobicContact CG2-CG 3.69Å
380K51.9Low54.8Low158 Ų15897.4 Ų97.469%0.68752%0.522SS*.  trans-57.4116.5172.3-68.8-177.6-179.5179.30106.1E378 A382 T383E378-K380 PolarHBondContact O-N 3.3Å; K380-A382 HydrophobicContact CB-CB 4.47Å; K380-A382 PolarHBondContact O-N 2.96Å; K380-T383 HydrophobicContact CB-CG2 4.28Å; K380-T383 WeakPolarHBondContact O-CB 3.49Å; K380-T383 PolarHBondContact O-N 2.9Å; K380-T383 PolarHBondContact O-OG1 3.15Å
381I58.3Low55.2Low111 Ų11195 Ų9557%0.56952%0.519SS*.Hα-helixtrans-49.8-32.3177.5-67.1168.8000110.7I379 T383 L384 L385I379-I381 PolarHBondContact O-N 2.75Å; I381-T383 PolarHBondContact O-N 3.39Å; I381-T383 VanDerWaalsContact O-N 3.16Å; I381-L384 PolarHBondContact O-N 3.31Å; I381-L385 HydrophobicContact CG2-CD1 3.68Å; I381-L385 HydrophobicContact CG2-CG 4.06Å; I381-L385 PolarHBondContact O-N 2.9Å
382A56.3Low55.8Low44 Ų4498.4 Ų98.436%0.36454%0.541SS..Hα-helixtrans-54.5-26.7171.700000115.7K380K380-A382 HydrophobicContact CB-CB 4.47Å; K380-A382 PolarHBondContact O-N 2.96Å
383T58.5Low56.5Low50 Ų5099 Ų9931%0.30753%0.53SS..Hα-helixtrans-84.8-21.417658.90000112.9R370 K380 I381R370-T383 PolarHBondContact NH1-O 3.35Å; R370-T383 PolarHBondContact NH2-O 3.44Å; K380-T383 HydrophobicContact CB-CG2 4.28Å; K380-T383 WeakPolarHBondContact O-CB 3.49Å; K380-T383 PolarHBondContact O-N 2.9Å; K380-T383 PolarHBondContact O-OG1 3.15Å; I381-T383 PolarHBondContact O-N 3.39Å; I381-T383 VanDerWaalsContact O-N 3.16Å
384L58.3Low57.2Low35 Ų3596.2 Ų96.218%0.18351%0.51CS..Hα-helixtrans-87.2-32.6176.9-64.9179.8000111.9F361 R370 I379 I381F361-L384 HydrophobicContact CE2-CB 4.45Å; R370-L384 HydrophobicContact CB-CD2 4.3Å; I379-L384 HydrophobicContact CG2-CD1 3.62Å; I379-L384 HydrophobicContact CG2-CD2 4.06Å; I379-L384 HydrophobicContact CG2-CG 3.69Å; I381-L384 PolarHBondContact O-N 3.31Å
385L63.2Low57.9Low24 Ų24102.3 Ų102.313%0.12654%0.537CS..SBendtrans-78.7149.5177.5-64.2176.9000111.4L298 I381 H387L298-L385 HydrophobicContact CD1-CD1 4.02Å; I381-L385 HydrophobicContact CG2-CD1 3.68Å; I381-L385 HydrophobicContact CG2-CG 4.06Å; I381-L385 PolarHBondContact O-N 2.9Å; L385-H387 PolarHBondContact O-N 3.41Å
386P60.3Low58.9Low85 Ų85106.3 Ų106.355%0.55255%0.554SS**PPolyproline II helixtrans-54.6140.4173.621.9-31.7000110.1S295S295-P386 WeakPolarHBondContact CB-O 3.5Å
387H59.9Low59.8Low141 Ų141100 Ų10065%0.65352%0.523SS*.PPolyproline II helixtrans-62.8139.8-178.7-69.2-48.2000110.6L385 T389L385-H387 PolarHBondContact O-N 3.41Å; H387-T389 PolarHBondContact O-N 2.98Å
388P58.6Low61.5Low69 Ų6997.3 Ų97.345%0.44851%0.508SS..PPolyproline II helixtrans-56137175.623.1-33000109.3D296 K390D296-P388 WeakPolarHBondContact OD1-CB 3.31Å; P388-K390 PolarHBondContact O-N 3.15Å
389T59.3Low62.9Low120 Ų12095 Ų9574%0.73650%0.498SS*.PPolyproline II helixtrans-67.1124.6174.333.30000108.6H387 T391H387-T389 PolarHBondContact O-N 2.98Å; T389-T391 PolarHBondContact O-N 3.29Å
390K58.8Low64.4Low209 Ų20994.4 Ų94.491%0.90950%0.496SS*.  trans-71.4114.9174.7-67.1-174.6-179.7-179.20108.4P388P388-K390 PolarHBondContact O-N 3.15Å
391T61.1Low65.9Low55 Ų5592.1 Ų92.134%0.33748%0.483SS..PPolyproline II helixtrans-77134.3172.347.30000109.6K302 T389 K393K302-T391 PolarHBondContact O-OG1 3.19Å; T389-T391 PolarHBondContact O-N 3.29Å; T391-K393 PolarHBondContact O-N 3.32Å
392P65.8Low67Low115 Ų11586.9 Ų86.975%0.74746%0.456SS*.PPolyproline II helixtrans-65.1129.9173.326-31.1000109.2P394P392-P394 WeakPolarHBondContact O-CD 3.42Å
393K65.9Low68.2Low128 Ų12888.9 Ų88.956%0.55746%0.46SS*.PPolyproline II helixtrans-81.8120.8178.3-175.9175.8173.11750109.5I314 T391 E399I314-K393 HydrophobicContact CD1-CD 4.11Å; I314-K393 HydrophobicContact CD1-CG 3.72Å; T391-K393 PolarHBondContact O-N 3.32Å; K393-E399 WeakPolarHBondContact CE-OE1 3.24Å; K393-E399 IonicContact NZ-OE1 2.69Å; K393-E399 PolarHBondContact NZ-OE1 2.84Å
394P70.3Confident69.3Low30 Ų3090.9 Ų90.920%0.19547%0.466CS..PPolyproline II helixtrans-68.2146.7169.87.10.7000111D312 P392 D396 A397D312-P394 HydrophobicContact CB-CB 4.35Å; D312-P394 HydrophobicContact CB-CG 3.75Å; D312-P394 WeakPolarHBondContact OD2-CG 3.33Å; P392-P394 WeakPolarHBondContact O-CD 3.42Å; P394-D396 VanDerWaalsContact C-N 3.29Å; P394-D396 PolarHBondContact O-N 3.46Å; P394-A397 HydrophobicContact CB-CB 4.27Å; P394-A397 HydrophobicContact CG-CB 3.85Å
395E65.8Low70.1Confident195 Ų19592.3 Ų92.391%0.91147%0.469SS*.THydrogen-bonded Turntrans-64.5-30-172-66.3-176169.600113.2
396D70.4Confident70.5Confident164 Ų16496 Ų9688%0.87749%0.486SS*.THydrogen-bonded Turntrans-108.518.1-171.9-63.1-35.9000114.7P394P394-D396 VanDerWaalsContact C-N 3.29Å; P394-D396 PolarHBondContact O-N 3.46Å
397A70.9Confident70.7Confident15 Ų1596.1 Ų96.112%0.12449%0.489CS..PPolyproline II helixtrans-92133.9-170.600000114.3D312 I314 P394D312-A397 HydrophobicContact CB-CB 4.12Å; D312-A397 WeakPolarHBondContact O-CA 3.02Å; D312-A397 WeakPolarHBondContact O-CB 3.32Å; I314-A397 HydrophobicContact CD1-CB 3.44Å; I314-A397 VanDerWaalsContact CD1-CB 3.44Å; I314-A397 HydrophobicContact CG1-CB 3.71Å; P394-A397 HydrophobicContact CB-CB 4.27Å; P394-A397 HydrophobicContact CG-CB 3.85Å
398E78.7Confident70.5Confident128 Ų12892.8 Ų92.860%0.59848%0.481SS*.EExtended strand (participates in β ladder)trans-79.4134.6176.2-172.6170.4-178.600110.8L313 I314 V400L313-E398 HydrophobicContact CD1-CB 4.37Å; I314-E398 PolarHBondContact N-O 3.35Å; E398-V400 HydrophobicContact CG-CG2 4.16Å
399E78.7Confident70.1Confident80 Ų8095.9 Ų95.937%0.37449%0.489SS..EExtended strand (participates in β ladder)trans-96.2117.2178.7-60.3-167.3-176.600110.3K302 I314 Y316 K393K302-E399 IonicContact NZ-OE1 2.72Å; K302-E399 PolarHBondContact NZ-OE1 3.33Å; K302-E399 IonicContact NZ-OE2 2.63Å; K302-E399 PolarHBondContact NZ-OE2 3.35Å; I314-E399 HydrophobicContact CB-CG 4.12Å; I314-E399 HydrophobicContact CD1-CG 4.03Å; I314-E399 HydrophobicContact CG2-CG 4.17Å; I314-E399 WeakPolarHBondContact O-CA 3.2Å; Y316-E399 HydrophobicContact CE1-CB 4.27Å; K393-E399 WeakPolarHBondContact CE-OE1 3.24Å; K393-E399 IonicContact NZ-OE1 2.69Å; K393-E399 PolarHBondContact NZ-OE1 2.84Å
400V80.6Confident69.5Low26 Ų2694.2 Ų94.216%0.15848%0.479CS..EExtended strand (participates in β ladder)trans-121.6131.3-179.7-175.20000110.9L313 I314 Y316 V331 E398L313-V400 HydrophobicContact CD1-CB 4.34Å; L313-V400 HydrophobicContact CD1-CG2 3.63Å; I314-V400 PolarHBondContact O-N 2.92Å; Y316-V400 WeakPolarHBondContact CD1-O 3.39Å; Y316-V400 VanDerWaalsContact CE1-C 3.49Å; Y316-V400 PolarHBondContact N-O 3.45Å; V331-V400 HydrophobicContact CG1-CB 4.42Å; V331-V400 HydrophobicContact CG1-CG1 3.81Å; E398-V400 HydrophobicContact CG-CG2 4.16Å
401R83Confident68.8Low111 Ų11188.3 Ų88.342%0.41947%0.469SS..EExtended strand (participates in β ladder)trans-75.8131.6174.6-171.1-178.3175.6-178.8-1.2109.8Y316 E321Y316-R401 HydrophobicContact CE1-CB 4.15Å; Y316-R401 HydrophobicContact CE2-CB 4.11Å; Y316-R401 HydrophobicContact CE2-CG 4.07Å; E321-R401 IonicContact OE1-CZ 2.8Å; E321-R401 IonicContact OE1-NH2 2.74Å; E321-R401 PolarHBondContact OE1-NH2 3.21Å; E321-R401 IonicContact OE2-NH2 3.87Å; E321-R401 PolarHBondContact OE2-NH2 2.87Å
402L82Confident67.7Low1 Ų192.9 Ų92.91%0.00549%0.491CS..  trans-70.8139.9172.6-62.9169000110.9F301 I315 Y316 N317 W329 V331 I349 F351F301-L402 HydrophobicContact CE1-CD1 3.96Å; F301-L402 HydrophobicContact CZ-CD1 3.82Å; I315-L402 HydrophobicContact CB-CD1 4.41Å; I315-L402 HydrophobicContact CB-CD2 3.93Å; I315-L402 HydrophobicContact CB-CG 4.15Å; I315-L402 HydrophobicContact CD1-CD1 4.25Å; I315-L402 HydrophobicContact CD1-CD2 4.27Å; I315-L402 HydrophobicContact CG2-CD2 4.08Å; Y316-L402 PolarHBondContact O-N 3.14Å; Y316-L402 VanDerWaalsContact O-N 3.1Å; N317-L402 HydrophobicContact CB-CD1 4.43Å; W329-L402 HydrophobicContact CD2-CB 4.28Å; W329-L402 HydrophobicContact CE3-CB 3.4Å; W329-L402 HydrophobicContact CZ3-CB 3.89Å; V331-L402 HydrophobicContact CG2-CD2 3.64Å; I349-L402 HydrophobicContact CD1-CD2 3.96Å; F351-L402 HydrophobicContact CE2-CD1 4.12Å; F351-L402 HydrophobicContact CZ-CD1 3.72Å
403L82.9Confident66.5Low85 Ų8592.8 Ų92.845%0.44549%0.489SS..EExtended strand (participates in β ladder)trans-108.7130.9172.7-60.5177.2000109.7W329 M330 P332 Y405W329-L403 CarbonylContact C-O 3.42Å; W329-L403 WeakPolarHBondContact CA-O 3.26Å; W329-L403 VanDerWaalsContact CE3-C 3.47Å; M330-L403 PolarHBondContact N-O 3.42Å; M330-L403 PolarHBondContact O-N 2.75Å; P332-L403 HydrophobicContact CG-CD1 4.02Å; L403-Y405 PolarHBondContact O-N 3.39Å
404H80.4Confident65Low93 Ų9389.7 Ų89.743%0.43149%0.493SS..EExtended strand (participates in β ladder)trans-65.7127.9175.7-176.1-101.7000110W329 E406W329-H404 HydrophobicContact CD2-CB 4.45Å; W329-H404 AromaticContact CE2-CD2 3.9Å; W329-H404 HydrophobicContact CE3-CB 4.35Å; W329-H404 HydrophobicContact CH2-CB 4.44Å; W329-H404 HydrophobicContact CZ2-CB 4.44Å; W329-H404 HydrophobicContact CZ3-CB 4.38Å; W329-H404 AromaticContact NE1-CD2 3.84Å; H404-E406 WeakPolarHBondContact ND1-CG 3.49Å; H404-E406 IonicContact ND1-OE1 3.71Å; H404-E406 PolarHBondContact O-N 3Å
405Y75.3Confident63.2Low65 Ų6591.1 Ų91.126%0.25551%0.513SS..  trans-90.4101.3179.6-177.2-105.8000110.5V328 M330 F348 L403 T410V328-Y405 VanDerWaalsContact O-CB 3.3Å; V328-Y405 WeakPolarHBondContact O-CB 3.25Å; V328-Y405 PolarHBondContact O-N 2.79Å; V328-Y405 VanDerWaalsContact O-N 3.13Å; M330-Y405 HydrophobicContact CE-CD2 3.61Å; M330-Y405 HydrophobicContact CE-CE2 3.77Å; F348-Y405 HydrophobicContact CD1-CD2 4.49Å; F348-Y405 HydrophobicContact CD1-CG 4.41Å; F348-Y405 HydrophobicContact CE1-CD1 4.31Å; F348-Y405 AromaticContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CD2 3.64Å; F348-Y405 HydrophobicContact CE1-CE1 4.38Å; F348-Y405 AromaticContact CE1-CE2 3.69Å; F348-Y405 HydrophobicContact CE1-CE2 3.69Å; F348-Y405 AromaticContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CE1-CG 3.93Å; F348-Y405 HydrophobicContact CZ-CE2 4.17Å; L403-Y405 PolarHBondContact O-N 3.39Å; Y405-T410 HydrophobicContact CE2-CG2 4.17Å; Y405-T410 PolarHBondContact OH-OG1 3.25Å
406E71.7Confident62Low102 Ų10288.3 Ų88.348%0.47751%0.512SS..  trans-89.5114.9167-64.7-172.1-173.100110.2H404 S408 H409H404-E406 WeakPolarHBondContact ND1-CG 3.49Å; H404-E406 IonicContact ND1-OE1 3.71Å; H404-E406 PolarHBondContact O-N 3Å; E406-S408 WeakPolarHBondContact CB-OG 3.44Å; E406-S408 PolarHBondContact O-N 3.13Å; E406-H409 PolarHBondContact O-N 3.22Å; E406-H409 VanDerWaalsContact O-N 3.09Å
407S65.2Low60.3Low87 Ų8783.4 Ų83.461%0.60850%0.5SS*.THydrogen-bonded Turntrans-54.2-16.6176.8-56.50000113.9
408S54.9Low58.7Low70 Ų7090.6 Ų90.649%0.4954%0.536SS..THydrogen-bonded Turntrans-73.3-22179.251.50000114.1E406E406-S408 WeakPolarHBondContact CB-OG 3.44Å; E406-S408 PolarHBondContact O-N 3.13Å
409H50Low56.7Low135 Ų13595.3 Ų95.363%0.62555%0.549SS*.THydrogen-bonded Turntrans-97.2-9.9-172.2-81-37.1000116E406 V413E406-H409 PolarHBondContact O-N 3.22Å; E406-H409 VanDerWaalsContact O-N 3.09Å; H409-V413 WeakPolarHBondContact O-CG2 3.44Å
410T47.3Very low54.5Low84 Ų84103 Ų10352%0.51557%0.574SS.*THydrogen-bonded Turntrans-104.5-13.4174.6510000113.7Y405 N412Y405-T410 HydrophobicContact CE2-CG2 4.17Å; Y405-T410 PolarHBondContact OH-OG1 3.25Å; T410-N412 VanDerWaalsContact C-N 3.28Å; T410-N412 PolarHBondContact O-N 3.05Å
411A43.4Very low52.4Low85 Ų85110.3 Ų110.370%0.70261%0.606SS**SBendtrans-76.3-14.2171.200000113.5
412N38Very low50.2Low151 Ų151108.6 Ų108.681%0.80762%0.616SS**SBendtrans-1264.2-174.8-112.7-1.4000115.4T410 G414T410-N412 VanDerWaalsContact C-N 3.28Å; T410-N412 PolarHBondContact O-N 3.05Å; N412-G414 PolarHBondContact O-N 3.21Å; N412-G414 VanDerWaalsContact O-N 3.15Å
413V40.4Very low48.4Very low114 Ų114119.3 Ų119.369%0.69166%0.658SS**  trans-86.175156.4-176.30000106.6H409 G415H409-V413 WeakPolarHBondContact O-CG2 3.44Å; V413-G415 PolarHBondContact O-N 2.98Å
414G35.6Very low46.5Very low63 Ų63124.1 Ų124.165%0.64968%0.68SS**  trans-48.2130.4160.600000108N412N412-G414 PolarHBondContact O-N 3.21Å; N412-G414 VanDerWaalsContact O-N 3.15Å
415G32.5Very low44.6Very low59 Ų59127.1 Ų127.161%0.60870%0.7SS**  trans-47.3151.7-174.200000112.1V413 G417V413-G415 PolarHBondContact O-N 2.98Å; G415-G417 VanDerWaalsContact C-N 3.29Å; G415-G417 PolarHBondContact O-N 3.26Å
416P39.3Very low43.1Very low136 Ų136132.4 Ų132.488%0.88373%0.727SS**  trans-62.2101.6174.513-6.9000107N418P416-N418 PolarHBondContact O-N 2.85Å
417G36.3Very low41.9Very low61 Ų61136.4 Ų136.463%0.62975%0.745SS**  trans-56114.6170.200000107.3G415 R419G415-G417 VanDerWaalsContact C-N 3.29Å; G415-G417 PolarHBondContact O-N 3.26Å; G417-R419 PolarHBondContact O-N 2.99Å
418N36.1Very low40.9Very low167 Ų167142 Ų14289%0.89376%0.762SS**  trans38.250.1138.2-135.121.6000114.9P416 R420P416-N418 PolarHBondContact O-N 2.85Å; N418-R420 PolarHBondContact O-N 2.95Å
419R37.3Very low40.2Very low227 Ų227146.9 Ų146.986%0.85778%0.783SS**  trans-94.294.6170.2-118.8-178.6-165.5175.85107.2G417 E421G417-R419 PolarHBondContact O-N 2.99Å; R419-E421 PolarHBondContact O-N 3.29Å
420R33.5Very low39.7Very low240 Ų240144 Ų14491%0.90679%0.789SS**  trans-48.3105.6159.1-81.9172.6162.2175.3-7.5108.5N418N418-R420 PolarHBondContact O-N 2.95Å
421E35.7Very low39.2Very low180 Ų180143.3 Ų143.384%0.84180%0.799SS**  trans-97.2113.2158.8-82.6173.3171.600107.5R419R419-E421 PolarHBondContact O-N 3.29Å
422A36.8Very low39.1Very low75 Ų75147.4 Ų147.462%0.6281%0.809SS**  trans-65.3163.1173.200000111.3
423Y44.6Very low39Very low226 Ų226143.5 Ų143.589%0.88681%0.805SS**  trans10582.5171.3-52.8-62.6000114.9
424M42.9Very low39.1Very low186 Ų186146.7 Ų146.792%0.91681%0.814SS**  178.7108.5117.1-89-62.8-168.800107.2
425D39.7Very low39.5Very low156 Ų156153 Ų15383%0.83483%0.827SS**  trans-59.6133168.8-71.7-57.8000110.3
426E43.8Very low39.9Very low177 Ų177153.5 Ų153.583%0.82783%0.831SS**  168.4106.1125.4-87.8174.3-164.900110.9
427E47.2Very low40.2Very low185 Ų185152.7 Ų152.786%0.86483%0.829SS**SBendtrans87.7122.4145.9-53.9-171.5169.600122.3
428E42.8Very low40.2Very low204 Ų204161.5 Ų161.595%0.95384%0.843SS**  trans83.594.9164-70.2-170.4155.300120.5
429D40.1Very low41.2Very low174 Ų174160 Ų16093%0.9384%0.84SS**  trans-110.4153.5-178.2-158.9-0.2000111.8
430G40.1Very low41.7Very low74 Ų74157.6 Ų157.676%0.76384%0.838SS**  trans116.4110.2162.100000115.2
431G36.9Very low42.2Very low70 Ų70152.5 Ų152.572%0.72284%0.838SS**  cis133135.817.400000110.2
432N42.3Very low43.6Very low171 Ų171148.8 Ų148.891%0.91484%0.838SS**  trans76.5124.8172.4-65.53000117.8
433G35.4Very low44.5Very low69 Ų69154.3 Ų154.371%0.71185%0.851SS**  cis101.598.21700000110.9
434M42.8Very low45Very low181 Ų181156.2 Ų156.289%0.89287%0.868SS**  trans-160.6147.8156-118.315798.400113.5
435H43.8Very low45.1Very low196 Ų196154.8 Ų154.891%0.90787%0.865SS**  trans-86167.4-159.8-84.3-102.4000116.2
436G40.8Very low45.4Very low69 Ų69154.7 Ų154.771%0.71187%0.867SS**  trans101.7132.3147.500000114
437S45Very low45.5Very low119 Ų119153.4 Ų153.483%0.83287%0.869SS**  cis-158.5139.525.1-76.30000110.8
438R37.4Very low45.4Very low246 Ų246151.6 Ų151.693%0.92887%0.869SS**  trans-96124.8167.1179.3-179.7-175.71741107.3
439V57Low45.5Very low136 Ų136148.3 Ų148.382%0.82486%0.864SS**  trans-120.7138.1171-175.40000109.2
440Q46.9Very low45.9Very low176 Ų176146.6 Ų146.682%0.82286%0.86SS**  trans-82.2153.5-166.3-66.5162.9-39.800113
441C44.6Very low46.3Very low133 Ų133151.8 Ų151.890%0.89987%0.867SS**  trans-75.4141.3162.3-57.70000110.5
442A64.4Low47Very low102 Ų102158.1 Ų158.184%0.84388%0.878SS**  trans-139.6123.8156.600000108.9
443H56.3Low47.4Very low191 Ų191157 Ų15788%0.88488%0.875SS**  trans-73136.5169-93.8-82.2000110.6
444Q54.9Low48.5Very low266 Ų266165 Ų165100%1.24389%0.89SS**  -152.20129.1-107.4177.63100108.7

Retrieved 444 of 444 residues in 256.3 ms (Link to these results)