A0A087Y2X0_POEFO Loading...

Protein-lysine N-methyltransferase SMYD4

Protein-lysine N-methyltransferase. Monomethylates PRMT5, modulating its transcriptional activity. May also act as a histone methyltransferase. Plays a critical role in cardiac development. Acts as a key epigenetic regulator of gene expression during cardiac development via its dual activities as a methyltransferase and negative regulator of HDAC1.

AlphaFold DB , UniProt , Accession A0A087Y2X0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 761 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
1M44Very low85.3Confident179 Ų17966.5 Ų66.588%0.88235%0.345SS*.  0119.50-170.1-179.9-72.600106.3D3M1-D3 HydrophobicContact CG-CB 4.15Å; M1-D3 WeakPolarHBondContact CG-OD2 3.4Å; M1-D3 PolarHBondContact O-N 3.41Å
2M61.7Low86.2Confident73 Ų7364.8 Ų64.836%0.3633%0.334SS..THydrogen-bonded Turntrans-85.815.6-173.4-66.2-164.2-73.900113.6P233 V235 V311M2-P233 VanDerWaalsContact CE-C 3.47Å; M2-P233 HydrophobicContact CE-CB 3.7Å; M2-P233 HydrophobicContact CE-CG 4.27Å; M2-P233 WeakPolarHBondContact CE-O 3.38Å; M2-P233 HydrophobicContact SD-CB 4.45Å; M2-V235 HydrophobicContact CE-CG2 4.11Å; M2-V311 PolarHBondContact O-N 3.5Å
3D82.6Confident86.9Confident26 Ų2660.2 Ų60.214%0.13931%0.311CS..THydrogen-bonded Turntrans-73.5-41.4-177.1-65.9-27.3000111.9M1 V311 M312M1-D3 HydrophobicContact CG-CB 4.15Å; M1-D3 WeakPolarHBondContact CG-OD2 3.4Å; M1-D3 PolarHBondContact O-N 3.41Å; D3-V311 PolarHBondContact O-N 2.86Å; D3-M312 HydrophobicContact CB-CE 3.99Å; D3-M312 HydrophobicContact CB-CG 4.08Å; D3-M312 HydrophobicContact CB-SD 4.19Å; D3-M312 VanDerWaalsContact O-CB 3.28Å; D3-M312 WeakPolarHBondContact O-CB 3.47Å; D3-M312 WeakPolarHBondContact O-CG 3.47Å; D3-M312 PolarHBondContact O-N 3.25Å
4L90.1Very high87.5Confident37 Ų3759.5 Ų59.519%0.19432%0.318CS..SBendtrans-90.2163.8174.5-68.7178.8000110.9M312 L365L4-M312 HydrophobicContact CD2-SD 4.13Å; L4-L365 HydrophobicContact CD1-CD1 4.39Å; L4-L365 HydrophobicContact CD2-CD1 4.05Å
5P93.6Very high88Confident1 Ų165.5 Ų65.51%0.00634%0.343CS..PPolyproline II helixtrans-50.8152.3173.6-26.331.4000113.4W9 Q10 A308 M309 L368 T372 M430P5-W9 HydrophobicContact CB-CB 4.08Å; P5-W9 HydrophobicContact CB-CG 4.03Å; P5-Q10 PolarHBondContact O-NE2 2.78Å; P5-A308 WeakPolarHBondContact CA-O 3.27Å; P5-M309 VanDerWaalsContact CA-O 3.3Å; P5-M309 WeakPolarHBondContact CA-O 3.47Å; P5-M309 WeakPolarHBondContact CD-O 3.37Å; P5-M309 VanDerWaalsContact CG-O 3.26Å; P5-M309 WeakPolarHBondContact CG-O 3.43Å; P5-L368 HydrophobicContact CB-CD1 4.39Å; P5-L368 HydrophobicContact CG-CD1 4.03Å; P5-L368 HydrophobicContact CG-CD2 4.45Å; P5-L368 HydrophobicContact CG-CG 4.2Å; P5-T372 HydrophobicContact CG-CG2 4.07Å; P5-M430 HydrophobicContact CG-CE 4.47Å
6C92.4Very high88.2Confident38 Ų3863.3 Ų63.326%0.25733%0.33SS..PPolyproline II helixtrans-57.1156.1176.364.70000112.3Q8 W9 Q10 I56 A308C6-Q8 VanDerWaalsContact C-N 3.26Å; C6-Q8 PolarHBondContact O-N 2.76Å; C6-W9 PolarHBondContact O-N 3.47Å; C6-Q10 PolarHBondContact O-N 3.14Å; C6-I56 WeakPolarHBondContact SG-CG2 3.47Å; C6-A308 PolarHBondContact N-O 3.45Å; C6-A308 PolarHBondContact SG-O 2.82Å; C6-A308 VanDerWaalsContact SG-O 3.4Å
7V92.9Very high88.4Confident90 Ų9062.8 Ų62.855%0.54532%0.323SS..Hα-helixtrans-56.5-40.3-174.3178.70000111.6W9 Q10 D11V7-W9 VanDerWaalsContact C-N 3.26Å; V7-W9 PolarHBondContact O-N 2.68Å; V7-Q10 WeakPolarHBondContact O-CB 3.45Å; V7-Q10 PolarHBondContact O-N 2.89Å; V7-D11 VanDerWaalsContact O-CG 3.29Å; V7-D11 PolarHBondContact O-N 2.94Å
8Q94.4Very high88.7Confident118 Ų11864.1 Ų64.155%0.55134%0.338SS*.Hα-helixtrans-59.1-36.7178-59.795.6-45.200112.8C6 H12 I56C6-Q8 VanDerWaalsContact C-N 3.26Å; C6-Q8 PolarHBondContact O-N 2.76Å; Q8-H12 PolarHBondContact O-N 3.38Å; Q8-H12 VanDerWaalsContact O-N 3.11Å; Q8-I56 HydrophobicContact CB-CD1 3.96Å; Q8-I56 HydrophobicContact CB-CG1 3.96Å; Q8-I56 HydrophobicContact CB-CG2 4.39Å
9W95.9Very high88.8Confident0 Ų064.3 Ų64.30%036%0.357CS..Hα-helixtrans-74.6-38.4175.4-177.7-104.3000111.8P5 C6 V7 D11 H12 V13 D49 A52 I53 I56 T372 T375P5-W9 HydrophobicContact CB-CB 4.08Å; P5-W9 HydrophobicContact CB-CG 4.03Å; C6-W9 PolarHBondContact O-N 3.47Å; V7-W9 VanDerWaalsContact C-N 3.26Å; V7-W9 PolarHBondContact O-N 2.68Å; W9-D11 VanDerWaalsContact C-N 3.31Å; W9-D11 PolarHBondContact O-N 3.43Å; W9-H12 HydrophobicContact CE3-CB 4.44Å; W9-H12 AromaticContact CZ3-CD2 3.71Å; W9-H12 PolarHBondContact O-N 2.93Å; W9-V13 HydrophobicContact CD2-CG2 4.43Å; W9-V13 HydrophobicContact CZ2-CG2 4.24Å; W9-V13 WeakPolarHBondContact O-CG2 3.26Å; W9-V13 PolarHBondContact O-N 3.42Å; W9-D49 HydrophobicContact CH2-CB 4.14Å; W9-D49 WeakPolarHBondContact CZ3-O 3.44Å; W9-A52 HydrophobicContact CZ3-CB 4.21Å; W9-I53 HydrophobicContact CD2-CD1 4.04Å; W9-I53 HydrophobicContact CE3-CB 4.05Å; W9-I53 HydrophobicContact CE3-CD1 3.86Å; W9-I53 HydrophobicContact CE3-CG1 4.48Å; W9-I53 HydrophobicContact CG-CD1 4.43Å; W9-I53 HydrophobicContact CH2-CB 4.21Å; W9-I53 HydrophobicContact CZ3-CB 3.69Å; W9-I53 HydrophobicContact CZ3-CD1 4.34Å; W9-I53 HydrophobicContact CZ3-CG1 4.49Å; W9-I56 HydrophobicContact CB-CD1 4.15Å; W9-I56 HydrophobicContact CE3-CD1 3.99Å; W9-T372 PolarHBondContact NE1-OG1 3.31Å; W9-T375 HydrophobicContact CH2-CG2 3.83Å; W9-T375 HydrophobicContact CZ2-CG2 4.27Å
10Q95.9Very high88.9Confident70 Ų7062.2 Ų62.233%0.32735%0.345SS..Hα-helixtrans-59.4-44.2174.2-61.4-176.734.300111.2P5 C6 V7 V13 A14 L368P5-Q10 PolarHBondContact O-NE2 2.78Å; C6-Q10 PolarHBondContact O-N 3.14Å; V7-Q10 WeakPolarHBondContact O-CB 3.45Å; V7-Q10 PolarHBondContact O-N 2.89Å; Q10-V13 PolarHBondContact O-N 2.99Å; Q10-A14 WeakPolarHBondContact O-CB 3.44Å; Q10-A14 PolarHBondContact O-N 2.68Å; Q10-L368 HydrophobicContact CB-CD1 4.46Å; Q10-L368 HydrophobicContact CG-CD1 4.04Å; Q10-L368 HydrophobicContact CG-CD2 3.87Å
11D95.3Very high89.1Confident99 Ų9963.1 Ų63.153%0.52935%0.349SS..Hα-helixtrans-64-42.1177.3-67.3-22.5000111.5V7 W9 V13 A14 H15V7-D11 VanDerWaalsContact O-CG 3.29Å; V7-D11 PolarHBondContact O-N 2.94Å; W9-D11 VanDerWaalsContact C-N 3.31Å; W9-D11 PolarHBondContact O-N 3.43Å; D11-V13 PolarHBondContact O-N 3.17Å; D11-A14 PolarHBondContact O-N 3.01Å; D11-H15 WeakPolarHBondContact O-CB 3.41Å; D11-H15 PolarHBondContact O-N 2.84Å
12H95.7Very high91.5Very high47 Ų4758.9 Ų58.922%0.21834%0.335CS..Hα-helixtrans-57.8-48.1174.2178.281000111.7Q8 W9 H15 K16 D49Q8-H12 PolarHBondContact O-N 3.38Å; Q8-H12 VanDerWaalsContact O-N 3.11Å; W9-H12 HydrophobicContact CE3-CB 4.44Å; W9-H12 AromaticContact CZ3-CD2 3.71Å; W9-H12 PolarHBondContact O-N 2.93Å; H12-H15 PolarHBondContact O-N 2.77Å; H12-K16 WeakPolarHBondContact O-CB 3.37Å; H12-K16 PolarHBondContact O-N 3.09Å; H12-D49 IonicContact CD2-OD1 3.38Å; H12-D49 IonicContact CE1-OD1 3.11Å; H12-D49 IonicContact NE2-OD1 3.99Å; H12-D49 PolarHBondContact NE2-OD1 2.75Å
13V95.9Very high92.9Very high5 Ų562.7 Ų62.73%0.0335%0.352CS..Hα-helixtrans-66.5-38.6178.4176.90000111.6W9 Q10 D11 K16 W17 L367 L368 F371W9-V13 HydrophobicContact CD2-CG2 4.43Å; W9-V13 HydrophobicContact CZ2-CG2 4.24Å; W9-V13 WeakPolarHBondContact O-CG2 3.26Å; W9-V13 PolarHBondContact O-N 3.42Å; Q10-V13 PolarHBondContact O-N 2.99Å; D11-V13 PolarHBondContact O-N 3.17Å; V13-K16 PolarHBondContact O-N 2.94Å; V13-W17 PolarHBondContact O-N 2.94Å; V13-L367 HydrophobicContact CG1-CD2 3.9Å; V13-L367 HydrophobicContact CG1-CG 4.05Å; V13-L368 HydrophobicContact CB-CD1 4.29Å; V13-L368 HydrophobicContact CG2-CD1 4.15Å; V13-F371 HydrophobicContact CG1-CB 4.25Å; V13-F371 HydrophobicContact CG1-CD2 4.43Å; V13-F371 HydrophobicContact CG1-CG 4.47Å; V13-F371 HydrophobicContact CG2-CB 4.09Å
14A95Very high93.3Very high50 Ų5064.8 Ų64.841%0.41336%0.363SS..Hα-helixtrans-66.4-39.2176.900000112.6Q10 D11 W17 S18Q10-A14 WeakPolarHBondContact O-CB 3.44Å; Q10-A14 PolarHBondContact O-N 2.68Å; D11-A14 PolarHBondContact O-N 3.01Å; A14-W17 WeakPolarHBondContact O-CB 3.43Å; A14-W17 PolarHBondContact O-N 2.93Å; A14-S18 PolarHBondContact O-N 2.92Å; A14-S18 PolarHBondContact O-OG 3.01Å
15H94.3Very high93.3Very high149 Ų14965.3 Ų65.369%0.6936%0.364SS*.Hα-helixtrans-64.1-44.1172.9-177-80.8000110.8D11 H12 W17 S18 G19D11-H15 WeakPolarHBondContact O-CB 3.41Å; D11-H15 PolarHBondContact O-N 2.84Å; H12-H15 PolarHBondContact O-N 2.77Å; H15-W17 PolarHBondContact O-N 2.9Å; H15-S18 WeakPolarHBondContact O-CB 3.49Å; H15-S18 PolarHBondContact O-N 3.07Å; H15-G19 PolarHBondContact O-N 2.91Å; H15-G19 VanDerWaalsContact O-N 3.09Å
16K91.9Very high93.3Very high30 Ų3071.4 Ų71.413%0.1339%0.392CS..Hα-helixtrans-59.1-46175.4-174.7161.8-174.6154.20111.7H12 V13 S18 G19 L20 L44 N46 D49 F371H12-K16 WeakPolarHBondContact O-CB 3.37Å; H12-K16 PolarHBondContact O-N 3.09Å; V13-K16 PolarHBondContact O-N 2.94Å; K16-S18 VanDerWaalsContact C-N 3.31Å; K16-S18 PolarHBondContact O-N 3.19Å; K16-G19 PolarHBondContact O-N 3.11Å; K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 3.34Å; K16-L44 WeakPolarHBondContact CE-O 3.26Å; K16-L44 PolarHBondContact NZ-O 3.25Å; K16-N46 PolarHBondContact NZ-ND2 2.79Å; K16-D49 WeakPolarHBondContact CD-OD1 3.28Å; K16-D49 IonicContact NZ-OD1 2.68Å; K16-D49 PolarHBondContact NZ-OD1 3.37Å; K16-D49 VanDerWaalsContact NZ-OD1 3.11Å; K16-D49 IonicContact NZ-OD2 3.21Å; K16-D49 PolarHBondContact NZ-OD2 3.15Å; K16-F371 HydrophobicContact CD-CD1 4.17Å; K16-F371 HydrophobicContact CD-CE1 3.72Å; K16-F371 HydrophobicContact CD-CZ 4.23Å
17W92.1Very high93.2Very high56 Ų5672.9 Ų72.921%0.21240%0.4CS..Hα-helixtrans-53.7-49.4173.3-177.3-113.4000111.6V13 A14 H15 G19 L20 K25 F28 L29 I363 L367V13-W17 PolarHBondContact O-N 2.94Å; A14-W17 WeakPolarHBondContact O-CB 3.43Å; A14-W17 PolarHBondContact O-N 2.93Å; H15-W17 PolarHBondContact O-N 2.9Å; W17-G19 VanDerWaalsContact C-N 3.25Å; W17-G19 PolarHBondContact O-N 3.12Å; W17-L20 HydrophobicContact CE3-CD1 3.8Å; W17-L20 HydrophobicContact CZ3-CD1 4.19Å; W17-L20 PolarHBondContact O-N 2.94Å; W17-L20 VanDerWaalsContact O-N 3.15Å; W17-K25 HydrophobicContact CH2-CB 4.05Å; W17-K25 HydrophobicContact CH2-CG 3.99Å; W17-K25 HydrophobicContact CZ2-CB 4.32Å; W17-K25 HydrophobicContact CZ2-CG 4.11Å; W17-K25 HydrophobicContact CZ3-CG 4.2Å; W17-K25 WeakPolarHBondContact O-CE 3.36Å; W17-K25 PolarHBondContact O-NZ 3.48Å; W17-F28 HydrophobicContact CH2-CB 4.47Å; W17-F28 HydrophobicContact CH2-CD1 4.15Å; W17-F28 HydrophobicContact CZ3-CB 4.23Å; W17-F28 AromaticContact CZ3-CD1 3.91Å; W17-F28 HydrophobicContact CZ3-CD1 3.91Å; W17-F28 HydrophobicContact CZ3-CG 4.21Å; W17-L29 HydrophobicContact CH2-CD2 4.22Å; W17-L29 HydrophobicContact CH2-CG 4.23Å; W17-L29 HydrophobicContact CZ2-CD2 4.25Å; W17-L29 HydrophobicContact CZ2-CG 4.49Å; W17-I363 HydrophobicContact CH2-CG2 4.11Å; W17-I363 HydrophobicContact CZ2-CG2 3.99Å; W17-L367 HydrophobicContact CB-CD2 3.48Å; W17-L367 VanDerWaalsContact CB-CD2 3.48Å; W17-L367 HydrophobicContact CD2-CD2 3.65Å; W17-L367 HydrophobicContact CE3-CD1 3.57Å; W17-L367 HydrophobicContact CE3-CD2 3.39Å; W17-L367 HydrophobicContact CE3-CG 4.11Å; W17-L367 HydrophobicContact CG-CD2 3.7Å; W17-L367 HydrophobicContact CZ3-CD1 3.8Å; W17-L367 HydrophobicContact CZ3-CD2 4.34Å
18S92.7Very high93.1Very high86 Ų8668.7 Ų68.760%0.60137%0.374SS*.Hα-helixtrans-59.9-37.8-176.9-58.50000111.9A14 H15 K16 K25A14-S18 PolarHBondContact O-N 2.92Å; A14-S18 PolarHBondContact O-OG 3.01Å; H15-S18 WeakPolarHBondContact O-CB 3.49Å; H15-S18 PolarHBondContact O-N 3.07Å; K16-S18 VanDerWaalsContact C-N 3.31Å; K16-S18 PolarHBondContact O-N 3.19Å; S18-K25 PolarHBondContact O-NZ 3.13Å
19G91Very high92.9Very high67 Ų6765.4 Ų65.469%0.69136%0.36SS*.Hα-helixtrans-83.8-3.4178.700000116.5H15 K16 W17H15-G19 PolarHBondContact O-N 2.91Å; H15-G19 VanDerWaalsContact O-N 3.09Å; K16-G19 PolarHBondContact O-N 3.11Å; W17-G19 VanDerWaalsContact C-N 3.25Å; W17-G19 PolarHBondContact O-N 3.12Å
20L91.7Very high92.6Very high22 Ų2269.1 Ų69.112%0.11539%0.386CS..SBendtrans-69.3145176.3-76.9171.7000111.7K16 W17 K25 L44K16-L20 WeakPolarHBondContact O-CG 3.46Å; K16-L20 PolarHBondContact O-N 3.34Å; W17-L20 HydrophobicContact CE3-CD1 3.8Å; W17-L20 HydrophobicContact CZ3-CD1 4.19Å; W17-L20 PolarHBondContact O-N 2.94Å; W17-L20 VanDerWaalsContact O-N 3.15Å; L20-K25 HydrophobicContact CB-CD 4.48Å; L20-K25 HydrophobicContact CB-CG 3.92Å; L20-K25 WeakPolarHBondContact O-CE 3.27Å; L20-K25 PolarHBondContact O-NZ 2.86Å; L20-L44 HydrophobicContact CD1-CD1 4.27Å; L20-L44 HydrophobicContact CD2-CD1 4.2Å; L20-L44 HydrophobicContact CD2-CD2 4.13Å
21D92.8Very high92.4Very high82 Ų8267.3 Ų67.344%0.43938%0.379SS..  trans-55.9139.6172.8-173.8-85000111E23 L24 K25D21-E23 VanDerWaalsContact C-N 3.28Å; D21-E23 PolarHBondContact O-N 2.88Å; D21-E23 WeakPolarHBondContact OD1-CB 3.39Å; D21-E23 PolarHBondContact OD1-N 2.87Å; D21-L24 HydrophobicContact CB-CB 4.43Å; D21-L24 HydrophobicContact CB-CD1 4.12Å; D21-L24 HydrophobicContact CB-CG 4.32Å; D21-L24 PolarHBondContact O-N 3.37Å; D21-L24 VanDerWaalsContact O-N 3.16Å; D21-K25 PolarHBondContact O-N 3.43Å
22P93Very high91.9Very high90 Ų9067 Ų6758%0.58437%0.374SS*.Hα-helixtrans-53-39.2178.7-27.536.1000114.5L24 K25 E26P22-L24 PolarHBondContact O-N 3.08Å; P22-K25 WeakPolarHBondContact O-CB 3.38Å; P22-K25 PolarHBondContact O-N 3.07Å; P22-E26 WeakPolarHBondContact O-CG 3.48Å; P22-E26 PolarHBondContact O-N 2.84Å
23E92.3Very high91.7Very high153 Ų15370.4 Ų70.472%0.71539%0.39SS*.Hα-helixtrans-67.1-38.4-179.8-63.3-176.6175.300111.6D21 E26 T27D21-E23 VanDerWaalsContact C-N 3.28Å; D21-E23 PolarHBondContact O-N 2.88Å; D21-E23 WeakPolarHBondContact OD1-CB 3.39Å; D21-E23 PolarHBondContact OD1-N 2.87Å; E23-E26 PolarHBondContact O-N 2.82Å; E23-T27 WeakPolarHBondContact O-CB 3.36Å; E23-T27 PolarHBondContact O-N 2.83Å; E23-T27 PolarHBondContact O-OG1 2.82Å
24L89.4Confident91.5Very high71 Ų7170.3 Ų70.337%0.37239%0.389SS..Hα-helixtrans-69.9-34.7175.9-69.3173.6000111.9D21 P22 T27 F28 L44D21-L24 HydrophobicContact CB-CB 4.43Å; D21-L24 HydrophobicContact CB-CD1 4.12Å; D21-L24 HydrophobicContact CB-CG 4.32Å; D21-L24 PolarHBondContact O-N 3.37Å; D21-L24 VanDerWaalsContact O-N 3.16Å; P22-L24 PolarHBondContact O-N 3.08Å; L24-T27 PolarHBondContact O-N 3.44Å; L24-F28 PolarHBondContact O-N 3.04Å; L24-L44 HydrophobicContact CD1-CD2 4.03Å
25K92Very high91.4Very high48 Ų4869.3 Ų69.321%0.20938%0.377CS..Hα-helixtrans-62.4-51.7172.2-74172.2173.7154.50110.7W17 S18 L20 D21 P22 T27 F28 L29W17-K25 HydrophobicContact CH2-CB 4.05Å; W17-K25 HydrophobicContact CH2-CG 3.99Å; W17-K25 HydrophobicContact CZ2-CB 4.32Å; W17-K25 HydrophobicContact CZ2-CG 4.11Å; W17-K25 HydrophobicContact CZ3-CG 4.2Å; W17-K25 WeakPolarHBondContact O-CE 3.36Å; W17-K25 PolarHBondContact O-NZ 3.48Å; S18-K25 PolarHBondContact O-NZ 3.13Å; L20-K25 HydrophobicContact CB-CD 4.48Å; L20-K25 HydrophobicContact CB-CG 3.92Å; L20-K25 WeakPolarHBondContact O-CE 3.27Å; L20-K25 PolarHBondContact O-NZ 2.86Å; D21-K25 PolarHBondContact O-N 3.43Å; P22-K25 WeakPolarHBondContact O-CB 3.38Å; P22-K25 PolarHBondContact O-N 3.07Å; K25-T27 VanDerWaalsContact C-N 3.28Å; K25-T27 PolarHBondContact O-N 3.01Å; K25-F28 PolarHBondContact O-N 3.48Å; K25-F28 VanDerWaalsContact O-N 3.17Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.36Å; K25-L29 PolarHBondContact O-N 3.46Å
26E91.8Very high91.3Very high128 Ų12865.6 Ų65.660%0.59836%0.362SS*.Hα-helixtrans-58.3-42.2177.1-72.4-57.3141.100111.7P22 E23 F28 L29 S30P22-E26 WeakPolarHBondContact O-CG 3.48Å; P22-E26 PolarHBondContact O-N 2.84Å; E23-E26 PolarHBondContact O-N 2.82Å; E26-F28 PolarHBondContact O-N 3.34Å; E26-L29 PolarHBondContact O-N 2.82Å; E26-S30 PolarHBondContact O-N 3.24Å; E26-S30 VanDerWaalsContact O-N 3.15Å
27T91.1Very high91.3Very high70 Ų7064.4 Ų64.443%0.42936%0.357SS..Hα-helixtrans-55.8-54.8173.9-58.30000110.5E23 L24 K25 L29 S30 L31E23-T27 WeakPolarHBondContact O-CB 3.36Å; E23-T27 PolarHBondContact O-N 2.83Å; E23-T27 PolarHBondContact O-OG1 2.82Å; L24-T27 PolarHBondContact O-N 3.44Å; K25-T27 VanDerWaalsContact C-N 3.28Å; K25-T27 PolarHBondContact O-N 3.01Å; T27-L29 VanDerWaalsContact C-N 3.33Å; T27-L29 PolarHBondContact O-N 3.12Å; T27-S30 PolarHBondContact O-N 3.31Å; T27-S30 PolarHBondContact O-OG 2.72Å; T27-L31 WeakPolarHBondContact O-CG 3.33Å
28F90.6Very high91.5Very high1 Ų161.7 Ų61.70%0.00435%0.347CS..Hα-helixtrans-61.7-39-179.3-171.8-88.4000112.9W17 L24 K25 E26 S30 L31 V37 C40 L367 A370W17-F28 HydrophobicContact CH2-CB 4.47Å; W17-F28 HydrophobicContact CH2-CD1 4.15Å; W17-F28 HydrophobicContact CZ3-CB 4.23Å; W17-F28 AromaticContact CZ3-CD1 3.91Å; W17-F28 HydrophobicContact CZ3-CD1 3.91Å; W17-F28 HydrophobicContact CZ3-CG 4.21Å; L24-F28 PolarHBondContact O-N 3.04Å; K25-F28 PolarHBondContact O-N 3.48Å; K25-F28 VanDerWaalsContact O-N 3.17Å; E26-F28 PolarHBondContact O-N 3.34Å; F28-S30 PolarHBondContact O-N 3.25Å; F28-L31 PolarHBondContact O-N 3.21Å; F28-V37 HydrophobicContact CE2-CG1 3.93Å; F28-V37 HydrophobicContact CZ-CG1 3.91Å; F28-C40 HydrophobicContact CD2-CB 4.42Å; F28-L367 HydrophobicContact CD1-CD1 4.09Å; F28-L367 HydrophobicContact CD2-CD1 4.36Å; F28-L367 HydrophobicContact CE1-CB 4.16Å; F28-L367 HydrophobicContact CE1-CD1 3.7Å; F28-L367 HydrophobicContact CE2-CD1 3.99Å; F28-L367 HydrophobicContact CG-CD1 4.41Å; F28-L367 HydrophobicContact CZ-CB 4.27Å; F28-L367 HydrophobicContact CZ-CD1 3.65Å; F28-A370 HydrophobicContact CZ-CB 4.44Å
29L90Very high91.5Very high50 Ų5061.8 Ų61.826%0.26234%0.337SS..Hα-helixtrans-60.1-34.7178.7-71.8173.8000112.4W17 K25 E26 T27 L31 I363W17-L29 HydrophobicContact CH2-CD2 4.22Å; W17-L29 HydrophobicContact CH2-CG 4.23Å; W17-L29 HydrophobicContact CZ2-CD2 4.25Å; W17-L29 HydrophobicContact CZ2-CG 4.49Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.36Å; K25-L29 PolarHBondContact O-N 3.46Å; E26-L29 PolarHBondContact O-N 2.82Å; T27-L29 VanDerWaalsContact C-N 3.33Å; T27-L29 PolarHBondContact O-N 3.12Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-I363 HydrophobicContact CD2-CB 4.21Å; L29-I363 HydrophobicContact CD2-CD1 3.26Å; L29-I363 HydrophobicContact CD2-CG1 3.55Å; L29-I363 HydrophobicContact CD2-CG2 3.65Å
30S90.1Very high91.7Very high78 Ų7859.5 Ų59.555%0.54531%0.31SS..Hα-helixtrans-78.1-12.5179.374.90000114.9E26 T27 F28 H32E26-S30 PolarHBondContact O-N 3.24Å; E26-S30 VanDerWaalsContact O-N 3.15Å; T27-S30 PolarHBondContact O-N 3.31Å; T27-S30 PolarHBondContact O-OG 2.72Å; F28-S30 PolarHBondContact O-N 3.25Å; S30-H32 PolarHBondContact O-CD2 2.87Å; S30-H32 VanDerWaalsContact O-CD2 3.28Å
31L90.9Very high91.8Very high31 Ų3158.4 Ų58.416%0.16230%0.304CS..  trans-83.4124.1-177.3-61.5177.7000111.4T27 F28 L29 D36 V37 C40 R366T27-L31 WeakPolarHBondContact O-CG 3.33Å; F28-L31 PolarHBondContact O-N 3.21Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L31-D36 HydrophobicContact CD1-CB 4.35Å; L31-D36 HydrophobicContact CD2-CB 3.87Å; L31-V37 HydrophobicContact CB-CG2 3.74Å; L31-C40 HydrophobicContact CD1-CB 3.6Å; L31-R366 PolarHBondContact O-NH1 2.84Å
32H86Confident91.8Very high92 Ų9256.3 Ų56.343%0.42629%0.293SS..  trans-115-26.9175.7-64.6-77.2000112.9S30S30-H32 PolarHBondContact O-CD2 2.87Å; S30-H32 VanDerWaalsContact O-CD2 3.28Å
33E90.3Very high91.8Very high120 Ų12056.5 Ų56.556%0.56130%0.296SS*.SBendtrans-74.9129.6176.6-72.4-56.513800111.7D35 D36 V37E33-D35 PolarHBondContact O-N 3.49Å; E33-D36 HydrophobicContact CB-CB 4.46Å; E33-D36 PolarHBondContact O-N 3.11Å; E33-D36 VanDerWaalsContact O-N 3.09Å; E33-V37 WeakPolarHBondContact O-CG2 3.27Å; E33-V37 PolarHBondContact O-N 3.4Å
34I92Very high91.8Very high3 Ų350.6 Ų50.62%0.01527%0.269CS..Hα-helixtrans-59.9-37.6-174.8-66.2165.7000111.5D36 V37 F38 Q356 L427 R428I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 3.15Å; I34-V37 PolarHBondContact O-N 2.88Å; I34-F38 WeakPolarHBondContact O-CB 3.33Å; I34-F38 PolarHBondContact O-N 2.97Å; I34-Q356 HydrophobicContact CD1-CG 4.09Å; I34-L427 HydrophobicContact CG2-CB 4.17Å; I34-L427 HydrophobicContact CG2-CD2 4.07Å; I34-L427 HydrophobicContact CG2-CG 4.04Å; I34-R428 HydrophobicContact CD1-CB 3.88Å; I34-R428 HydrophobicContact CD1-CG 3.95Å; I34-R428 HydrophobicContact CG2-CB 4.18Å
35D92.4Very high92Very high29 Ų2947.9 Ų47.916%0.15526%0.257CS..Hα-helixtrans-60.1-43.7178.4-75.7-6000111.5E33 K39 R332 W420 S424E33-D35 PolarHBondContact O-N 3.49Å; D35-K39 WeakPolarHBondContact O-CB 3.45Å; D35-K39 VanDerWaalsContact O-CG 3.22Å; D35-K39 WeakPolarHBondContact O-CG 3.39Å; D35-K39 PolarHBondContact O-N 3.45Å; D35-R332 IonicContact OD1-CZ 2.8Å; D35-R332 IonicContact OD1-NH1 2.64Å; D35-R332 PolarHBondContact OD1-NH1 3.49Å; D35-R332 IonicContact OD1-NH2 3.52Å; D35-R332 PolarHBondContact OD1-NH2 3.02Å; D35-R332 IonicContact OD2-CZ 3.55Å; D35-R332 IonicContact OD2-NH1 3.56Å; D35-R332 PolarHBondContact OD2-NH1 3.36Å; D35-R332 IonicContact OD2-NH2 3.43Å; D35-R332 PolarHBondContact OD2-NH2 3.45Å; D35-W420 HydrophobicContact CB-CH2 4.4Å; D35-W420 HydrophobicContact CB-CZ3 3.87Å; D35-S424 WeakPolarHBondContact OD1-CB 3.44Å; D35-S424 PolarHBondContact OD1-OG 3.5Å
36D92.6Very high92Very high71 Ų7148.7 Ų48.738%0.3826%0.263SS..Hα-helixtrans-76.2-40.3-177.2-60.2-32.8000110.8L31 E33 I34 F38 K39 C40L31-D36 HydrophobicContact CD1-CB 4.35Å; L31-D36 HydrophobicContact CD2-CB 3.87Å; E33-D36 HydrophobicContact CB-CB 4.46Å; E33-D36 PolarHBondContact O-N 3.11Å; E33-D36 VanDerWaalsContact O-N 3.09Å; I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 3.15Å; D36-F38 VanDerWaalsContact C-N 3.31Å; D36-F38 PolarHBondContact O-N 2.7Å; D36-K39 PolarHBondContact O-N 3.05Å; D36-C40 VanDerWaalsContact O-CB 3.27Å; D36-C40 WeakPolarHBondContact O-CB 3.41Å; D36-C40 PolarHBondContact O-N 3.22Å
37V93.4Very high92.1Very high4 Ų447.1 Ų47.12%0.02426%0.256CS..Hα-helixtrans-56.5-46.8172174.30000110.5F28 L31 E33 I34 A41 A370 L427F28-V37 HydrophobicContact CE2-CG1 3.93Å; F28-V37 HydrophobicContact CZ-CG1 3.91Å; L31-V37 HydrophobicContact CB-CG2 3.74Å; E33-V37 WeakPolarHBondContact O-CG2 3.27Å; E33-V37 PolarHBondContact O-N 3.4Å; I34-V37 PolarHBondContact O-N 2.88Å; V37-A41 WeakPolarHBondContact O-CB 3.31Å; V37-A41 PolarHBondContact O-N 3.28Å; V37-A370 HydrophobicContact CG1-CB 3.82Å; V37-L427 HydrophobicContact CB-CD2 4.42Å; V37-L427 HydrophobicContact CG1-CD2 3.99Å
38F95.3Very high92.2Very high0 Ų050.5 Ų50.50%027%0.267CS..Hα-helixtrans-64.5-48.3178.4176.6-109.6000111.9I34 D36 C40 A41 L42 V373 A374 Y377 W420 G423 L427I34-F38 WeakPolarHBondContact O-CB 3.33Å; I34-F38 PolarHBondContact O-N 2.97Å; D36-F38 VanDerWaalsContact C-N 3.31Å; D36-F38 PolarHBondContact O-N 2.7Å; F38-C40 VanDerWaalsContact C-N 3.3Å; F38-C40 PolarHBondContact O-N 2.7Å; F38-A41 PolarHBondContact O-N 3.29Å; F38-L42 HydrophobicContact CE1-CD2 3.96Å; F38-L42 HydrophobicContact CZ-CB 4.37Å; F38-L42 HydrophobicContact CZ-CD2 4.01Å; F38-L42 VanDerWaalsContact O-CB 3.28Å; F38-L42 WeakPolarHBondContact O-CB 3.44Å; F38-L42 PolarHBondContact O-N 2.79Å; F38-V373 HydrophobicContact CD2-CG1 4.19Å; F38-V373 HydrophobicContact CE2-CG1 3.92Å; F38-A374 HydrophobicContact CE2-CB 4.45Å; F38-Y377 HydrophobicContact CZ-CD1 4.34Å; F38-Y377 HydrophobicContact CZ-CD2 4.26Å; F38-Y377 HydrophobicContact CZ-CG 4.02Å; F38-W420 HydrophobicContact CE1-CB 4.04Å; F38-W420 WeakPolarHBondContact CE1-O 3.41Å; F38-G423 VanDerWaalsContact CZ-CA 3.46Å; F38-L427 HydrophobicContact CB-CD2 3.79Å
39K93.6Very high92.4Very high88 Ų8850.5 Ų50.538%0.38327%0.267SS..Hα-helixtrans-60.4-40.6179.2-75169-174168.60112D35 D36 L42 S43 W420D35-K39 WeakPolarHBondContact O-CB 3.45Å; D35-K39 VanDerWaalsContact O-CG 3.22Å; D35-K39 WeakPolarHBondContact O-CG 3.39Å; D35-K39 PolarHBondContact O-N 3.45Å; D36-K39 PolarHBondContact O-N 3.05Å; K39-L42 PolarHBondContact O-N 3.3Å; K39-S43 PolarHBondContact O-N 2.83Å; K39-W420 VanDerWaalsContact CE-CZ3 3.45Å; K39-W420 HydrophobicContact CG-CE3 4.45Å
40C93.4Very high92.6Very high18 Ų1848.4 Ų48.412%0.12226%0.256CS..Hα-helixtrans-63.9-49175.4-176.10000111.3F28 L31 D36 F38 L42 S43 L44F28-C40 HydrophobicContact CD2-CB 4.42Å; L31-C40 HydrophobicContact CD1-CB 3.6Å; D36-C40 VanDerWaalsContact O-CB 3.27Å; D36-C40 WeakPolarHBondContact O-CB 3.41Å; D36-C40 PolarHBondContact O-N 3.22Å; F38-C40 VanDerWaalsContact C-N 3.3Å; F38-C40 PolarHBondContact O-N 2.7Å; C40-L42 VanDerWaalsContact C-N 3.29Å; C40-L42 PolarHBondContact O-N 3.43Å; C40-S43 PolarHBondContact O-N 2.95Å; C40-S43 PolarHBondContact O-OG 3.33Å; C40-L44 VanDerWaalsContact O-CG 3.3Å; C40-L44 WeakPolarHBondContact O-CG 3.45Å; C40-L44 PolarHBondContact O-N 3.43Å
41A94.6Very high92.8Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-62.4-37.8176.900000112.4V37 F38 L44 A45 A370 F371 A374V37-A41 WeakPolarHBondContact O-CB 3.31Å; V37-A41 PolarHBondContact O-N 3.28Å; F38-A41 PolarHBondContact O-N 3.29Å; A41-L44 PolarHBondContact O-N 2.98Å; A41-A45 WeakPolarHBondContact O-CB 3.38Å; A41-A45 PolarHBondContact O-N 3Å; A41-A370 HydrophobicContact CB-CB 3.57Å; A41-F371 HydrophobicContact CB-CD2 4.38Å; A41-F371 HydrophobicContact CB-CE2 4.44Å; A41-A374 HydrophobicContact CB-CB 4.3Å
42L93.6Very high93Very high38 Ų3848 Ų4820%0.19925%0.251CS..Hα-helixtrans-65.8-39.3177.4-177.162.9000112.5F38 K39 C40 L44 A45 A374 Y377 L378F38-L42 HydrophobicContact CE1-CD2 3.96Å; F38-L42 HydrophobicContact CZ-CB 4.37Å; F38-L42 HydrophobicContact CZ-CD2 4.01Å; F38-L42 VanDerWaalsContact O-CB 3.28Å; F38-L42 WeakPolarHBondContact O-CB 3.44Å; F38-L42 PolarHBondContact O-N 2.79Å; K39-L42 PolarHBondContact O-N 3.3Å; C40-L42 VanDerWaalsContact C-N 3.29Å; C40-L42 PolarHBondContact O-N 3.43Å; L42-L44 PolarHBondContact O-N 2.8Å; L42-A45 PolarHBondContact O-N 3.15Å; L42-A374 HydrophobicContact CB-CB 4.4Å; L42-A374 HydrophobicContact CD1-CB 4.35Å; L42-Y377 HydrophobicContact CD1-CD1 3.61Å; L42-Y377 HydrophobicContact CD1-CE1 3.99Å; L42-Y377 HydrophobicContact CD2-CD1 4.19Å; L42-Y377 HydrophobicContact CD2-CE1 3.88Å; L42-L378 HydrophobicContact CD1-CD2 4Å; L42-L378 HydrophobicContact CD1-CG 4.03Å
43S92.5Very high93.3Very high94 Ų9443.6 Ų43.666%0.65723%0.23SC*.Hα-helixtrans-69.2-24.7176.370.70000112.8K39 C40K39-S43 PolarHBondContact O-N 2.83Å; C40-S43 PolarHBondContact O-N 2.95Å; C40-S43 PolarHBondContact O-OG 3.33Å
44L92.4Very high93.4Very high28 Ų2842.9 Ų42.915%0.14723%0.227CC..Hα-helixtrans-90-19.5176.6-62.7174.5000113.5K16 L20 L24 C40 A41 L42 F371K16-L44 WeakPolarHBondContact CE-O 3.26Å; K16-L44 PolarHBondContact NZ-O 3.25Å; L20-L44 HydrophobicContact CD1-CD1 4.27Å; L20-L44 HydrophobicContact CD2-CD1 4.2Å; L20-L44 HydrophobicContact CD2-CD2 4.13Å; L24-L44 HydrophobicContact CD1-CD2 4.03Å; C40-L44 VanDerWaalsContact O-CG 3.3Å; C40-L44 WeakPolarHBondContact O-CG 3.45Å; C40-L44 PolarHBondContact O-N 3.43Å; A41-L44 PolarHBondContact O-N 2.98Å; L42-L44 PolarHBondContact O-N 2.8Å; L44-F371 HydrophobicContact CB-CE1 3.92Å; L44-F371 HydrophobicContact CB-CZ 3.6Å; L44-F371 HydrophobicContact CD1-CZ 4.02Å; L44-F371 HydrophobicContact CG-CZ 4.49Å
45A93.2Very high93.5Very high14 Ų1447 Ų4712%0.11626%0.257CS..  trans-70.4133.1178.100000110.7A41 L42 D49 A374 L378A41-A45 WeakPolarHBondContact O-CB 3.38Å; A41-A45 PolarHBondContact O-N 3Å; L42-A45 PolarHBondContact O-N 3.15Å; A45-D49 WeakPolarHBondContact CA-OD2 3.31Å; A45-A374 HydrophobicContact CB-CB 3.9Å; A45-L378 HydrophobicContact CB-CD1 3.74Å
46N91.9Very high93.6Very high65 Ų6547.5 Ų47.535%0.34826%0.259SS..  trans-141.3-177.6-172.868.844000112.3K16 Q48 D49 L50K16-N46 PolarHBondContact NZ-ND2 2.79Å; N46-Q48 VanDerWaalsContact C-N 3.28Å; N46-Q48 PolarHBondContact O-N 2.79Å; N46-Q48 VanDerWaalsContact OD1-CB 3.25Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.41Å; N46-Q48 PolarHBondContact OD1-N 3.07Å; N46-D49 PolarHBondContact N-OD2 3.08Å; N46-D49 WeakPolarHBondContact O-CB 3.38Å; N46-D49 PolarHBondContact O-N 3.11Å; N46-L50 PolarHBondContact O-N 3.11Å
47Q93.3Very high93.5Very high96 Ų9644.4 Ų44.445%0.44924%0.243SC..Hα-helixtrans-63.6-30.4-176.4-171.35947.200113.2D49 L50 D51Q47-D49 VanDerWaalsContact C-N 3.26Å; Q47-D49 PolarHBondContact O-N 3.22Å; Q47-L50 WeakPolarHBondContact O-CB 3.48Å; Q47-L50 PolarHBondContact O-N 2.97Å; Q47-L50 VanDerWaalsContact O-N 3.13Å; Q47-D51 PolarHBondContact NE2-OD1 2.96Å; Q47-D51 PolarHBondContact O-N 3.42Å
48Q93.8Very high93.2Very high140 Ų14048.2 Ų48.265%0.65427%0.274SS*.Hα-helixtrans-63.1-34.5176.7-60.6177-17.500111.6N46 D51 A52N46-Q48 VanDerWaalsContact C-N 3.28Å; N46-Q48 PolarHBondContact O-N 2.79Å; N46-Q48 VanDerWaalsContact OD1-CB 3.25Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.41Å; N46-Q48 PolarHBondContact OD1-N 3.07Å; Q48-D51 PolarHBondContact O-N 2.9Å; Q48-A52 VanDerWaalsContact O-CB 3.22Å; Q48-A52 WeakPolarHBondContact O-CB 3.42Å; Q48-A52 PolarHBondContact O-N 3.49Å
49D94.5Very high92.3Very high2 Ų251.8 Ų51.81%0.01131%0.311CS..Hα-helixtrans-67.8-38.6176-54.6-49.1000111.4W9 H12 K16 A45 N46 Q47 A52 I53 T375W9-D49 HydrophobicContact CH2-CB 4.14Å; W9-D49 WeakPolarHBondContact CZ3-O 3.44Å; H12-D49 IonicContact CD2-OD1 3.38Å; H12-D49 IonicContact CE1-OD1 3.11Å; H12-D49 IonicContact NE2-OD1 3.99Å; H12-D49 PolarHBondContact NE2-OD1 2.75Å; K16-D49 WeakPolarHBondContact CD-OD1 3.28Å; K16-D49 IonicContact NZ-OD1 2.68Å; K16-D49 PolarHBondContact NZ-OD1 3.37Å; K16-D49 VanDerWaalsContact NZ-OD1 3.11Å; K16-D49 IonicContact NZ-OD2 3.21Å; K16-D49 PolarHBondContact NZ-OD2 3.15Å; A45-D49 WeakPolarHBondContact CA-OD2 3.31Å; N46-D49 PolarHBondContact N-OD2 3.08Å; N46-D49 WeakPolarHBondContact O-CB 3.38Å; N46-D49 PolarHBondContact O-N 3.11Å; Q47-D49 VanDerWaalsContact C-N 3.26Å; Q47-D49 PolarHBondContact O-N 3.22Å; D49-A52 PolarHBondContact O-N 2.87Å; D49-I53 WeakPolarHBondContact O-CG2 3.38Å; D49-I53 PolarHBondContact O-N 3.49Å; D49-T375 HydrophobicContact CB-CG2 4.46Å
50L93.8Very high91.7Very high5 Ų551.1 Ų51.13%0.02631%0.311CS..Hα-helixtrans-67.4-37.8177.2-64.9175.7000112.2N46 Q47 I53 Q54 T375 L378 K379N46-L50 PolarHBondContact O-N 3.11Å; Q47-L50 WeakPolarHBondContact O-CB 3.48Å; Q47-L50 PolarHBondContact O-N 2.97Å; Q47-L50 VanDerWaalsContact O-N 3.13Å; L50-I53 WeakPolarHBondContact O-CG2 3.43Å; L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.39Å; L50-Q54 PolarHBondContact O-N 2.93Å; L50-T375 HydrophobicContact CD2-CG2 3.84Å; L50-L378 HydrophobicContact CD1-CB 4.43Å; L50-L378 HydrophobicContact CD2-CB 3.94Å; L50-K379 HydrophobicContact CD2-CD 3.96Å; L50-K379 HydrophobicContact CD2-CG 3.7Å
51D94.4Very high90.9Very high80 Ų8053.9 Ų53.943%0.42833%0.331SS..Hα-helixtrans-72.5-40.1177.2-61.5-18.8000110.5Q47 Q48 Q54 S55Q47-D51 PolarHBondContact NE2-OD1 2.96Å; Q47-D51 PolarHBondContact O-N 3.42Å; Q48-D51 PolarHBondContact O-N 2.9Å; D51-Q54 PolarHBondContact O-N 3.19Å; D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 3.3Å
52A95.1Very high90.5Very high20 Ų2054.8 Ų54.817%0.16534%0.336CS..Hα-helixtrans-60.9-51.2176.400000111.6W9 Q48 D49 Q54 S55 I56W9-A52 HydrophobicContact CZ3-CB 4.21Å; Q48-A52 VanDerWaalsContact O-CB 3.22Å; Q48-A52 WeakPolarHBondContact O-CB 3.42Å; Q48-A52 PolarHBondContact O-N 3.49Å; D49-A52 PolarHBondContact O-N 2.87Å; A52-Q54 VanDerWaalsContact C-N 3.28Å; A52-Q54 PolarHBondContact O-N 3.26Å; A52-S55 PolarHBondContact O-N 3.43Å; A52-I56 WeakPolarHBondContact O-CB 3.36Å; A52-I56 WeakPolarHBondContact O-CD1 3.48Å; A52-I56 VanDerWaalsContact O-CG1 3.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.21Å; A52-I56 PolarHBondContact O-N 3.48Å
53I94Very high90.3Very high0 Ų060.9 Ų60.90%036%0.361CS..Hα-helixtrans-64.4-34.6179.1-16760.9000112W9 D49 L50 I56 S57 E305 A308 M309 T375W9-I53 HydrophobicContact CD2-CD1 4.04Å; W9-I53 HydrophobicContact CE3-CB 4.05Å; W9-I53 HydrophobicContact CE3-CD1 3.86Å; W9-I53 HydrophobicContact CE3-CG1 4.48Å; W9-I53 HydrophobicContact CG-CD1 4.43Å; W9-I53 HydrophobicContact CH2-CB 4.21Å; W9-I53 HydrophobicContact CZ3-CB 3.69Å; W9-I53 HydrophobicContact CZ3-CD1 4.34Å; W9-I53 HydrophobicContact CZ3-CG1 4.49Å; D49-I53 WeakPolarHBondContact O-CG2 3.38Å; D49-I53 PolarHBondContact O-N 3.49Å; L50-I53 WeakPolarHBondContact O-CG2 3.43Å; I53-I56 PolarHBondContact O-N 2.8Å; I53-S57 VanDerWaalsContact O-CB 3.26Å; I53-S57 WeakPolarHBondContact O-CB 3.47Å; I53-S57 PolarHBondContact O-N 3.43Å; I53-S57 PolarHBondContact O-OG 2.93Å; I53-E305 HydrophobicContact CG1-CB 4.32Å; I53-E305 HydrophobicContact CG1-CG 4.16Å; I53-E305 HydrophobicContact CG2-CG 4.43Å; I53-A308 HydrophobicContact CD1-CB 3.89Å; I53-M309 HydrophobicContact CD1-CE 4.42Å; I53-M309 HydrophobicContact CD1-CG 4.12Å; I53-M309 HydrophobicContact CG1-CE 3.84Å; I53-M309 HydrophobicContact CG1-CG 4.49Å; I53-T375 HydrophobicContact CB-CG2 4.43Å; I53-T375 HydrophobicContact CG2-CG2 3.82Å
54Q92.4Very high90.4Very high105 Ų10558.5 Ų58.549%0.49134%0.339SS..Hα-helixtrans-68.6-38.2176.9-177.8167.6-10.300112.3L50 D51 A52 S57 A58L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.39Å; L50-Q54 PolarHBondContact O-N 2.93Å; D51-Q54 PolarHBondContact O-N 3.19Å; A52-Q54 VanDerWaalsContact C-N 3.28Å; A52-Q54 PolarHBondContact O-N 3.26Å; Q54-S57 PolarHBondContact O-OG 2.64Å; Q54-A58 WeakPolarHBondContact O-CB 3.43Å; Q54-A58 PolarHBondContact O-N 2.92Å
55S94Very high90.5Very high91 Ų9160.1 Ų60.164%0.63635%0.348SS*.Hα-helixtrans-65.3-45.9174-176.30000111.1D51 A52 S57 A58D51-S55 WeakPolarHBondContact O-CB 3.46Å; D51-S55 PolarHBondContact O-N 3.3Å; A52-S55 PolarHBondContact O-N 3.43Å; S55-S57 VanDerWaalsContact C-N 3.33Å; S55-S57 PolarHBondContact O-N 3.45Å; S55-A58 WeakPolarHBondContact O-CB 3.23Å; S55-A58 PolarHBondContact O-N 3.49Å
56I93.1Very high90.6Very high39 Ų3961.2 Ų61.220%0.236%0.357CS..Hα-helixtrans-60.8-43176.6-68.9164.7000110.9C6 Q8 W9 A52 I53 A58 A308C6-I56 WeakPolarHBondContact SG-CG2 3.47Å; Q8-I56 HydrophobicContact CB-CD1 3.96Å; Q8-I56 HydrophobicContact CB-CG1 3.96Å; Q8-I56 HydrophobicContact CB-CG2 4.39Å; W9-I56 HydrophobicContact CB-CD1 4.15Å; W9-I56 HydrophobicContact CE3-CD1 3.99Å; A52-I56 WeakPolarHBondContact O-CB 3.36Å; A52-I56 WeakPolarHBondContact O-CD1 3.48Å; A52-I56 VanDerWaalsContact O-CG1 3.24Å; A52-I56 WeakPolarHBondContact O-CG1 3.21Å; A52-I56 PolarHBondContact O-N 3.48Å; I53-I56 PolarHBondContact O-N 2.8Å; I56-A58 VanDerWaalsContact C-N 3.35Å; I56-A308 HydrophobicContact CG2-CB 4.01Å
57S90.9Very high90.8Very high6 Ų664 Ų644%0.04237%0.368CS..Hα-helixtrans-79.8-13.3-176.875.80000114I53 Q54 S55 G59 L60I53-S57 VanDerWaalsContact O-CB 3.26Å; I53-S57 WeakPolarHBondContact O-CB 3.47Å; I53-S57 PolarHBondContact O-N 3.43Å; I53-S57 PolarHBondContact O-OG 2.93Å; Q54-S57 PolarHBondContact O-OG 2.64Å; S55-S57 VanDerWaalsContact C-N 3.33Å; S55-S57 PolarHBondContact O-N 3.45Å; S57-G59 PolarHBondContact O-N 2.87Å; S57-G59 VanDerWaalsContact O-N 3.11Å; S57-L60 WeakPolarHBondContact O-CB 3.46Å; S57-L60 PolarHBondContact O-N 2.69Å
58A87.4Confident90.8Very high83 Ų8362.1 Ų62.169%0.68636%0.359SS*.THydrogen-bonded Turntrans-58.7-27.7-177.600000113.7Q54 S55 I56 L60Q54-A58 WeakPolarHBondContact O-CB 3.43Å; Q54-A58 PolarHBondContact O-N 2.92Å; S55-A58 WeakPolarHBondContact O-CB 3.23Å; S55-A58 PolarHBondContact O-N 3.49Å; I56-A58 VanDerWaalsContact C-N 3.35Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 2.79Å
59G77.1Confident90.9Very high75 Ų7555.5 Ų55.577%0.77333%0.328SS*.THydrogen-bonded Turntrans-76.6-9.2175.800000114.9S57S57-G59 PolarHBondContact O-N 2.87Å; S57-G59 VanDerWaalsContact O-N 3.11Å
60L81.1Confident91Very high75 Ų7556.5 Ų56.539%0.39334%0.337SS..SBendtrans-95.3102.4-177.3-60.5171.5000109.8S57 A58 V62 A304 A307 A308S57-L60 WeakPolarHBondContact O-CB 3.46Å; S57-L60 PolarHBondContact O-N 2.69Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 2.79Å; L60-V62 PolarHBondContact O-N 2.83Å; L60-A304 HydrophobicContact CB-CB 4.15Å; L60-A304 WeakPolarHBondContact CD1-O 3.39Å; L60-A307 HydrophobicContact CD1-CB 3.85Å; L60-A308 HydrophobicContact CD1-CB 4.09Å
61S75.8Confident91.1Very high75 Ų7560.3 Ų60.352%0.52435%0.353SS..  trans-74.496.8179.3-172.60000111.5
62V85.2Confident91.2Very high20 Ų2057 Ų5712%0.12134%0.336CS..  trans-114.33.3175.1-57.50000113L60 C277 S278 F279 A304L60-V62 PolarHBondContact O-N 2.83Å; V62-C277 CarbonylContact O-C 3.39Å; V62-C277 WeakPolarHBondContact O-CA 3.35Å; V62-C277 WeakPolarHBondContact O-CB 3.48Å; V62-S278 WeakPolarHBondContact CA-OG 3.47Å; V62-S278 PolarHBondContact O-N 3.29Å; V62-S278 PolarHBondContact O-OG 3.49Å; V62-F279 HydrophobicContact CB-CB 4.4Å; V62-F279 HydrophobicContact CG1-CB 4.32Å; V62-A304 HydrophobicContact CG1-CB 4.35Å; V62-A304 HydrophobicContact CG2-CB 3.76Å
63K90.4Very high91.3Very high165 Ų16557.8 Ų57.872%0.71734%0.335SS*.BIsolated β-bridgetrans-92.9157179.5-64-175.3-177.8177.30111S278K63-S278 PolarHBondContact N-OG 2.89Å; K63-S278 VanDerWaalsContact O-CB 3.29Å; K63-S278 WeakPolarHBondContact O-CB 3.31Å; K63-S278 PolarHBondContact O-OG 3.12Å
64K93.8Very high91.5Very high45 Ų4562 Ų6220%0.19636%0.355CS..  trans-65.7134.9169.3-60-64.4-168.3171.30109.6C97 F98 P100 C274 C277K64-C97 WeakPolarHBondContact CD-O 3.47Å; K64-C97 WeakPolarHBondContact CE-O 3.23Å; K64-C97 PolarHBondContact NZ-O 3.48Å; K64-F98 CarbonylContact C-O 3.57Å; K64-F98 WeakPolarHBondContact CA-O 3.41Å; K64-F98 WeakPolarHBondContact CB-O 3.45Å; K64-F98 WeakPolarHBondContact CD-O 3.13Å; K64-P100 HydrophobicContact CB-CB 4.45Å; K64-P100 HydrophobicContact CB-CG 4.07Å; K64-C274 WeakPolarHBondContact CE-O 3.45Å; K64-C274 PolarHBondContact NZ-O 3.06Å; K64-C277 WeakPolarHBondContact CE-O 3.08Å; K64-C277 PolarHBondContact NZ-O 3.31Å
65D94.6Very high91.6Very high61 Ų6161.5 Ų61.533%0.32635%0.351SS..  trans-149.8119.7-177.9-172.5-32.4000109.5E67 E68 A69 F98D65-E67 VanDerWaalsContact C-N 3.35Å; D65-E67 WeakPolarHBondContact OD1-CA 3.34Å; D65-E67 WeakPolarHBondContact OD1-CB 3.45Å; D65-E67 PolarHBondContact OD1-N 2.88Å; D65-E68 HydrophobicContact CB-CB 4.06Å; D65-E68 HydrophobicContact CB-CG 4.21Å; D65-E68 PolarHBondContact OD1-N 3.12Å; D65-A69 WeakPolarHBondContact O-CB 3.34Å; D65-A69 PolarHBondContact O-N 2.78Å; D65-F98 PolarHBondContact N-O 3.29Å
66A95.7Very high91.7Very high38 Ų3857.1 Ų57.131%0.31432%0.32SS..Hα-helixtrans-71-29.9-178.800000112.7A70 P100A66-A70 PolarHBondContact O-N 3.12Å; A66-P100 HydrophobicContact CB-CG 4.34Å
67E95.4Very high91.9Very high122 Ų12256.7 Ų56.757%0.5732%0.318SS*.Hα-helixtrans-71.8-44.7178.2-164.1-169.1136.700110.4D65 A69 A70 K71D65-E67 VanDerWaalsContact C-N 3.35Å; D65-E67 WeakPolarHBondContact OD1-CA 3.34Å; D65-E67 WeakPolarHBondContact OD1-CB 3.45Å; D65-E67 PolarHBondContact OD1-N 2.88Å; E67-A69 VanDerWaalsContact C-N 3.3Å; E67-A69 PolarHBondContact O-N 3.09Å; E67-A70 WeakPolarHBondContact O-CB 3.39Å; E67-A70 PolarHBondContact O-N 2.82Å; E67-A70 VanDerWaalsContact O-N 3.17Å; E67-K71 WeakPolarHBondContact O-CG 3.47Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-K71 WeakPolarHBondContact OE1-CE 3.36Å; E67-K71 IonicContact OE1-NZ 3.78Å; E67-K71 PolarHBondContact OE1-NZ 3.29Å
68E94.1Very high92.2Very high58 Ų5859.7 Ų59.727%0.27134%0.339SS..Hα-helixtrans-64.5-36173.7-70.3-54.7135.200112.2D65 A70 K71 C72 F98D65-E68 HydrophobicContact CB-CB 4.06Å; D65-E68 HydrophobicContact CB-CG 4.21Å; D65-E68 PolarHBondContact OD1-N 3.12Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.48Å; E68-K71 PolarHBondContact O-N 2.83Å; E68-K71 WeakPolarHBondContact OE1-CD 3.2Å; E68-K71 IonicContact OE1-NZ 2.8Å; E68-K71 PolarHBondContact OE1-NZ 2.91Å; E68-C72 WeakPolarHBondContact O-CB 3.21Å; E68-C72 PolarHBondContact O-N 2.87Å; E68-C72 PolarHBondContact O-SG 3.1Å; E68-F98 HydrophobicContact CB-CB 4.29Å; E68-F98 HydrophobicContact CB-CD1 3.98Å; E68-F98 HydrophobicContact CB-CD2 4.11Å; E68-F98 HydrophobicContact CB-CE1 4.32Å; E68-F98 HydrophobicContact CB-CE2 4.39Å; E68-F98 HydrophobicContact CB-CG 3.89Å
69A96.3Very high92.4Very high0 Ų056.8 Ų56.80%031%0.314CS..Hα-helixtrans-59.6-44.8171.700000111.9D65 E67 C72 R73 G95 F98 A99 Q105D65-A69 WeakPolarHBondContact O-CB 3.34Å; D65-A69 PolarHBondContact O-N 2.78Å; E67-A69 VanDerWaalsContact C-N 3.3Å; E67-A69 PolarHBondContact O-N 3.09Å; A69-C72 PolarHBondContact O-N 3.09Å; A69-R73 PolarHBondContact O-N 3.37Å; A69-G95 WeakPolarHBondContact CB-O 3.44Å; A69-F98 HydrophobicContact CB-CB 3.96Å; A69-A99 HydrophobicContact CB-CB 3.92Å; A69-Q105 HydrophobicContact CB-CB 3.94Å; A69-Q105 HydrophobicContact CB-CG 4.43Å
70A97Very high93.3Very high24 Ų2455.8 Ų55.820%0.19829%0.288CS..Hα-helixtrans-63.8-43.5176.900000112.1A66 E67 E68 C72 R73 E74 Q105A66-A70 PolarHBondContact O-N 3.12Å; E67-A70 WeakPolarHBondContact O-CB 3.39Å; E67-A70 PolarHBondContact O-N 2.82Å; E67-A70 VanDerWaalsContact O-N 3.17Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.48Å; A70-C72 VanDerWaalsContact C-N 3.33Å; A70-C72 PolarHBondContact O-N 2.85Å; A70-R73 WeakPolarHBondContact O-CB 3.43Å; A70-R73 PolarHBondContact O-N 2.85Å; A70-E74 PolarHBondContact O-N 3.22Å; A70-Q105 HydrophobicContact CB-CG 4.31Å
71K96.1Very high94Very high85 Ų8560.4 Ų60.437%0.3731%0.305SS..Hα-helixtrans-58.6-44.5175.1-71.6171-170.9160.80111.6E67 E68 E74 K75E67-K71 WeakPolarHBondContact O-CG 3.47Å; E67-K71 PolarHBondContact O-N 3.38Å; E67-K71 WeakPolarHBondContact OE1-CE 3.36Å; E67-K71 IonicContact OE1-NZ 3.78Å; E67-K71 PolarHBondContact OE1-NZ 3.29Å; E68-K71 PolarHBondContact O-N 2.83Å; E68-K71 WeakPolarHBondContact OE1-CD 3.2Å; E68-K71 IonicContact OE1-NZ 2.8Å; E68-K71 PolarHBondContact OE1-NZ 2.91Å; K71-E74 PolarHBondContact O-N 3.36Å; K71-K75 WeakPolarHBondContact O-CG 3.34Å; K71-K75 PolarHBondContact O-N 3.49Å; K71-K75 VanDerWaalsContact O-N 3.08Å
72C95.5Very high94.7Very high10 Ų1061.8 Ų61.87%0.06831%0.311CS..Hα-helixtrans-62.5-43176-68.30000111.6E68 A69 A70 E74 K75 G76 Q94E68-C72 WeakPolarHBondContact O-CB 3.21Å; E68-C72 PolarHBondContact O-N 2.87Å; E68-C72 PolarHBondContact O-SG 3.1Å; A69-C72 PolarHBondContact O-N 3.09Å; A70-C72 VanDerWaalsContact C-N 3.33Å; A70-C72 PolarHBondContact O-N 2.85Å; C72-E74 PolarHBondContact O-N 3.33Å; C72-K75 PolarHBondContact O-N 3.27Å; C72-G76 PolarHBondContact O-N 2.78Å; C72-Q94 HydrophobicContact CB-CB 4.44Å
73R97.1Very high95Very high36 Ų3670 Ų7014%0.13634%0.339CS..Hα-helixtrans-59.8-44176.2-169.5178.254.961.415.9112.1A69 A70 G76 N77 Y92A69-R73 PolarHBondContact O-N 3.37Å; A70-R73 WeakPolarHBondContact O-CB 3.43Å; A70-R73 PolarHBondContact O-N 2.85Å; R73-G76 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact NH1-ND2 3.38Å; R73-N77 PolarHBondContact O-N 3Å; R73-N77 PolarHBondContact O-ND2 3.27Å; R73-N77 PolarHBondContact O-OD1 3.29Å; R73-Y92 HydrophobicContact CG-CD1 4.23Å; R73-Y92 HydrophobicContact CG-CE1 4.11Å; R73-Y92 WeakPolarHBondContact O-CE1 3.4Å
74E97.7Very high94.9Very high90 Ų9064.7 Ų64.742%0.42132%0.319SS..Hα-helixtrans-68.6-34.4178.7-65.6-51.315100113.4A70 K71 C72 N77 S78A70-E74 PolarHBondContact O-N 3.22Å; K71-E74 PolarHBondContact O-N 3.36Å; C72-E74 PolarHBondContact O-N 3.33Å; E74-N77 PolarHBondContact O-N 3.17Å; E74-N77 PolarHBondContact OE2-ND2 3.29Å; E74-S78 PolarHBondContact O-N 3.5Å; E74-S78 PolarHBondContact O-OG 2.8Å
75K95.6Very high94.9Very high93 Ų9364.7 Ų64.740%0.40432%0.318SS..Hα-helixtrans-61.2-46.2168.7-71.2177178.8178.50110.9K71 C72 N77 S78 C79 H91 N252K71-K75 WeakPolarHBondContact O-CG 3.34Å; K71-K75 PolarHBondContact O-N 3.49Å; K71-K75 VanDerWaalsContact O-N 3.08Å; C72-K75 PolarHBondContact O-N 3.27Å; K75-N77 VanDerWaalsContact C-N 3.3Å; K75-N77 PolarHBondContact O-N 3.21Å; K75-S78 WeakPolarHBondContact O-CB 3.41Å; K75-S78 PolarHBondContact O-N 3.26Å; K75-S78 VanDerWaalsContact O-N 3.08Å; K75-C79 PolarHBondContact O-N 3.34Å; K75-C79 VanDerWaalsContact O-N 3.08Å; K75-H91 HydrophobicContact CB-CB 4.46Å; K75-N252 PolarHBondContact NZ-ND2 2.87Å
76G96.3Very high94.7Very high0 Ų066 Ų660%032%0.321CS..Hα-helixtrans-58.5-39.9175.300000112.9C72 R73 S78 C79 F80 S88 H91 Y92C72-G76 PolarHBondContact O-N 2.78Å; R73-G76 PolarHBondContact O-N 3.41Å; G76-S78 VanDerWaalsContact C-N 3.33Å; G76-S78 PolarHBondContact O-N 2.98Å; G76-C79 PolarHBondContact O-N 2.89Å; G76-F80 WeakPolarHBondContact O-CB 3.23Å; G76-F80 PolarHBondContact O-N 2.96Å; G76-S88 WeakPolarHBondContact O-CB 3.39Å; G76-S88 PolarHBondContact O-OG 2.63Å; G76-H91 VanDerWaalsContact CA-CB 3.49Å; G76-Y92 VanDerWaalsContact C-CZ 3.44Å; G76-Y92 VanDerWaalsContact C-OH 3.27Å; G76-Y92 PolarHBondContact O-OH 3.15Å
77N97.6Very high94.4Very high29 Ų2966.1 Ų66.116%0.15532%0.318CS..Hα-helixtrans-64.2-37.5175.2-65-18000112.3R73 E74 K75 F80 K81 Y92 N112R73-N77 PolarHBondContact NH1-ND2 3.38Å; R73-N77 PolarHBondContact O-N 3Å; R73-N77 PolarHBondContact O-ND2 3.27Å; R73-N77 PolarHBondContact O-OD1 3.29Å; E74-N77 PolarHBondContact O-N 3.17Å; E74-N77 PolarHBondContact OE2-ND2 3.29Å; K75-N77 VanDerWaalsContact C-N 3.3Å; K75-N77 PolarHBondContact O-N 3.21Å; N77-F80 PolarHBondContact O-N 2.81Å; N77-K81 WeakPolarHBondContact O-CG 3.47Å; N77-K81 PolarHBondContact O-N 3.46Å; N77-K81 VanDerWaalsContact O-N 3.09Å; N77-Y92 WeakPolarHBondContact CA-OH 3.49Å; N77-Y92 PolarHBondContact N-OH 3.37Å; N77-Y92 WeakPolarHBondContact OD1-CE1 3.17Å; N77-Y92 PolarHBondContact OD1-OH 2.84Å; N77-N112 PolarHBondContact OD1-ND2 2.85Å
78S96.3Very high94.4Very high69 Ų6960.3 Ų60.348%0.48329%0.291SS..Hα-helixtrans-64.4-47.9176.6-58.60000111.2E74 K75 G76 F80 K81 T82E74-S78 PolarHBondContact O-N 3.5Å; E74-S78 PolarHBondContact O-OG 2.8Å; K75-S78 WeakPolarHBondContact O-CB 3.41Å; K75-S78 PolarHBondContact O-N 3.26Å; K75-S78 VanDerWaalsContact O-N 3.08Å; G76-S78 VanDerWaalsContact C-N 3.33Å; G76-S78 PolarHBondContact O-N 2.98Å; S78-F80 VanDerWaalsContact C-N 3.32Å; S78-F80 PolarHBondContact O-N 3.49Å; S78-K81 PolarHBondContact O-N 3.37Å; S78-T82 PolarHBondContact O-N 3.44Å
79C92.8Very high94.4Very high22 Ų2257.6 Ų57.615%0.14928%0.278CS..Hα-helixtrans-62.4-37.6174.3-62.30000112.4K75 G76 K81 T82 R83 D84K75-C79 PolarHBondContact O-N 3.34Å; K75-C79 VanDerWaalsContact O-N 3.08Å; G76-C79 PolarHBondContact O-N 2.89Å; C79-K81 VanDerWaalsContact C-N 3.32Å; C79-K81 PolarHBondContact O-N 3.49Å; C79-T82 WeakPolarHBondContact CA-OG1 3.36Å; C79-T82 CarbonylContact O-C 3.56Å; C79-T82 PolarHBondContact O-N 3.48Å; C79-T82 PolarHBondContact O-OG1 3.3Å; C79-R83 PolarHBondContact O-N 2.95Å; C79-D84 HydrophobicContact CB-CB 4.35Å; C79-D84 PolarHBondContact O-N 3.21Å
80F95.3Very high94.3Very high54 Ų5457.9 Ų57.924%0.23728%0.28CS..Hα-helixtrans-61.5-41.6177.2-165.7-85.4000111.8G76 N77 S78 T82 R83 Y85 S88 A115 A116 H119G76-F80 WeakPolarHBondContact O-CB 3.23Å; G76-F80 PolarHBondContact O-N 2.96Å; N77-F80 PolarHBondContact O-N 2.81Å; S78-F80 VanDerWaalsContact C-N 3.32Å; S78-F80 PolarHBondContact O-N 3.49Å; F80-T82 VanDerWaalsContact C-N 3.27Å; F80-T82 PolarHBondContact O-N 2.9Å; F80-R83 PolarHBondContact O-N 3.5Å; F80-Y85 HydrophobicContact CD1-CE1 4.44Å; F80-Y85 AromaticContact CD2-CD1 3.77Å; F80-Y85 HydrophobicContact CD2-CD1 3.77Å; F80-Y85 AromaticContact CD2-CE1 3.98Å; F80-Y85 HydrophobicContact CD2-CE1 3.98Å; F80-Y85 HydrophobicContact CE1-CE1 4.18Å; F80-Y85 AromaticContact CE2-CD1 3.68Å; F80-Y85 HydrophobicContact CE2-CD1 3.68Å; F80-Y85 AromaticContact CE2-CE1 3.69Å; F80-Y85 HydrophobicContact CE2-CE1 3.69Å; F80-Y85 HydrophobicContact CG-CD1 4.44Å; F80-Y85 HydrophobicContact CG-CE1 4.35Å; F80-Y85 HydrophobicContact CZ-CD1 4.28Å; F80-Y85 AromaticContact CZ-CE1 3.81Å; F80-Y85 HydrophobicContact CZ-CE1 3.81Å; F80-S88 WeakPolarHBondContact CB-OG 3.26Å; F80-A115 HydrophobicContact CE2-CB 3.79Å; F80-A115 HydrophobicContact CZ-CB 4.02Å; F80-A116 HydrophobicContact CD2-CB 4.25Å; F80-A116 HydrophobicContact CE2-CB 4.3Å; F80-H119 AromaticContact CE2-CD2 3.88Å; F80-H119 AromaticContact CZ-CD2 3.54Å; F80-H119 AromaticContact CZ-NE2 3.7Å
81K95.8Very high94.2Very high172 Ų17257.4 Ų57.475%0.74827%0.273SS*.Hα-helixtrans-63.4-33.6177.4-72.2170.5-175.4175.80112.3N77 S78 C79 R83N77-K81 WeakPolarHBondContact O-CG 3.47Å; N77-K81 PolarHBondContact O-N 3.46Å; N77-K81 VanDerWaalsContact O-N 3.09Å; S78-K81 PolarHBondContact O-N 3.37Å; C79-K81 VanDerWaalsContact C-N 3.32Å; C79-K81 PolarHBondContact O-N 3.49Å; K81-R83 PolarHBondContact O-N 3.37Å
82T90.6Very high94.3Very high104 Ų10453.6 Ų53.664%0.63826%0.256SS*.THydrogen-bonded Turntrans-83.66.2175.160.90000113.2S78 C79 F80 D84S78-T82 PolarHBondContact O-N 3.44Å; C79-T82 WeakPolarHBondContact CA-OG1 3.36Å; C79-T82 CarbonylContact O-C 3.56Å; C79-T82 PolarHBondContact O-N 3.48Å; C79-T82 PolarHBondContact O-OG1 3.3Å; F80-T82 VanDerWaalsContact C-N 3.27Å; F80-T82 PolarHBondContact O-N 2.9Å; T82-D84 PolarHBondContact O-N 3.43Å
83R91.5Very high94.3Very high192 Ų19253.2 Ų53.273%0.72525%0.254SS*.THydrogen-bonded Turntrans61.717.5-176.9-53.4-177.5177.3-175.7-1.9114.7C79 F80 K81 Y85C79-R83 PolarHBondContact O-N 2.95Å; F80-R83 PolarHBondContact O-N 3.5Å; K81-R83 PolarHBondContact O-N 3.37Å; R83-Y85 VanDerWaalsContact C-N 3.25Å; R83-Y85 HydrophobicContact CB-CE2 3.93Å; R83-Y85 VanDerWaalsContact O-CD2 3.28Å; R83-Y85 WeakPolarHBondContact O-CD2 3.2Å; R83-Y85 PolarHBondContact O-N 2.9Å
84D87.9Confident94.2Very high54 Ų5452.5 Ų52.529%0.28925%0.252SS..  trans-82.578.1168.1-177.6-8.9000108.7C79 T82 K86 T87 S88C79-D84 HydrophobicContact CB-CB 4.35Å; C79-D84 PolarHBondContact O-N 3.21Å; T82-D84 PolarHBondContact O-N 3.43Å; D84-K86 VanDerWaalsContact C-N 3.32Å; D84-K86 PolarHBondContact O-N 2.67Å; D84-T87 VanDerWaalsContact OD1-CB 3.24Å; D84-T87 WeakPolarHBondContact OD1-CB 3.48Å; D84-T87 PolarHBondContact OD1-N 3.41Å; D84-T87 PolarHBondContact OD1-OG1 3.19Å; D84-T87 WeakPolarHBondContact OD2-CB 3.29Å; D84-T87 PolarHBondContact OD2-OG1 3.04Å; D84-S88 WeakPolarHBondContact O-CB 3.47Å; D84-S88 PolarHBondContact O-N 3.15Å
85Y93.3Very high94.1Very high46 Ų4648.2 Ų48.218%0.1823%0.232CC..Hα-helixtrans-69.7-30.2-175.1-58.4-62.9000112.4F80 R83 A89 H119F80-Y85 HydrophobicContact CD1-CE1 4.44Å; F80-Y85 AromaticContact CD2-CD1 3.77Å; F80-Y85 HydrophobicContact CD2-CD1 3.77Å; F80-Y85 AromaticContact CD2-CE1 3.98Å; F80-Y85 HydrophobicContact CD2-CE1 3.98Å; F80-Y85 HydrophobicContact CE1-CE1 4.18Å; F80-Y85 AromaticContact CE2-CD1 3.68Å; F80-Y85 HydrophobicContact CE2-CD1 3.68Å; F80-Y85 AromaticContact CE2-CE1 3.69Å; F80-Y85 HydrophobicContact CE2-CE1 3.69Å; F80-Y85 HydrophobicContact CG-CD1 4.44Å; F80-Y85 HydrophobicContact CG-CE1 4.35Å; F80-Y85 HydrophobicContact CZ-CD1 4.28Å; F80-Y85 AromaticContact CZ-CE1 3.81Å; F80-Y85 HydrophobicContact CZ-CE1 3.81Å; R83-Y85 VanDerWaalsContact C-N 3.25Å; R83-Y85 HydrophobicContact CB-CE2 3.93Å; R83-Y85 VanDerWaalsContact O-CD2 3.28Å; R83-Y85 WeakPolarHBondContact O-CD2 3.2Å; R83-Y85 PolarHBondContact O-N 2.9Å; Y85-A89 WeakPolarHBondContact O-CB 3.3Å; Y85-A89 PolarHBondContact O-N 2.97Å; Y85-H119 HydrophobicContact CD1-CB 3.77Å; Y85-H119 HydrophobicContact CD2-CB 3.6Å; Y85-H119 HydrophobicContact CE1-CB 3.82Å; Y85-H119 AromaticContact CE1-CD2 3.49Å; Y85-H119 VanDerWaalsContact CE1-CD2 3.49Å; Y85-H119 WeakPolarHBondContact CE1-CD2 3.22Å; Y85-H119 AromaticContact CE1-CG 3.63Å; Y85-H119 HydrophobicContact CE2-CB 3.65Å; Y85-H119 AromaticContact CE2-CG 3.94Å; Y85-H119 HydrophobicContact CG-CB 3.66Å; Y85-H119 AromaticContact CZ-CD2 3.83Å; Y85-H119 AromaticContact CZ-CG 3.55Å; Y85-H119 AromaticContact CZ-ND1 3.88Å
86K90.7Very high94.1Very high88 Ų8843.8 Ų43.838%0.38321%0.213SC..Hα-helixtrans-68.5-50.8178.9-170.9175.8-177.1176.40111.1D84 S88 A89 L90 L269D84-K86 VanDerWaalsContact C-N 3.32Å; D84-K86 PolarHBondContact O-N 2.67Å; K86-S88 VanDerWaalsContact C-N 3.3Å; K86-S88 PolarHBondContact O-N 3.28Å; K86-A89 PolarHBondContact O-N 3.2Å; K86-L90 PolarHBondContact O-N 3.12Å; K86-L90 VanDerWaalsContact O-N 3.12Å; K86-L269 HydrophobicContact CG-CD1 4.36Å; K86-L269 HydrophobicContact CG-CD2 4.2Å
87T89.9Confident94Very high41 Ų4143.8 Ų43.825%0.25221%0.213SC..Hα-helixtrans-67-35.5176.2-54.20000111.2D84 L90 H91 F254D84-T87 VanDerWaalsContact OD1-CB 3.24Å; D84-T87 WeakPolarHBondContact OD1-CB 3.48Å; D84-T87 PolarHBondContact OD1-N 3.41Å; D84-T87 PolarHBondContact OD1-OG1 3.19Å; D84-T87 WeakPolarHBondContact OD2-CB 3.29Å; D84-T87 PolarHBondContact OD2-OG1 3.04Å; T87-L90 PolarHBondContact O-N 3.38Å; T87-H91 PolarHBondContact O-CD2 3.1Å; T87-H91 PolarHBondContact O-N 3.5Å; T87-F254 HydrophobicContact CG2-CD2 4.47Å; T87-F254 HydrophobicContact CG2-CE2 4.04Å
88S94.6Very high93.9Very high0 Ų043.4 Ų43.40%021%0.21CC..Hα-helixtrans-57.4-49.4172.6-175.50000111.9G76 F80 D84 K86 L90 H91 Y92G76-S88 WeakPolarHBondContact O-CB 3.39Å; G76-S88 PolarHBondContact O-OG 2.63Å; F80-S88 WeakPolarHBondContact CB-OG 3.26Å; D84-S88 WeakPolarHBondContact O-CB 3.47Å; D84-S88 PolarHBondContact O-N 3.15Å; K86-S88 VanDerWaalsContact C-N 3.3Å; K86-S88 PolarHBondContact O-N 3.28Å; S88-L90 VanDerWaalsContact C-N 3.33Å; S88-L90 PolarHBondContact O-N 3.04Å; S88-H91 PolarHBondContact O-N 2.7Å; S88-Y92 WeakPolarHBondContact O-CD2 3.34Å; S88-Y92 PolarHBondContact O-N 3.22Å; S88-Y92 WeakPolarHBondContact OG-CE2 3.3Å
89A95.3Very high93.9Very high0 Ų040.1 Ų40.10%019%0.187CC..Hα-helixtrans-59.9-40176.800000112.6Y85 K86 Y92 S93 R113 A116 L120 L269Y85-A89 WeakPolarHBondContact O-CB 3.3Å; Y85-A89 PolarHBondContact O-N 2.97Å; K86-A89 PolarHBondContact O-N 3.2Å; A89-Y92 PolarHBondContact O-N 2.9Å; A89-S93 WeakPolarHBondContact O-CB 3.46Å; A89-S93 PolarHBondContact O-N 3.23Å; A89-S93 PolarHBondContact O-OG 2.91Å; A89-R113 HydrophobicContact CB-CG 4.32Å; A89-A116 HydrophobicContact CB-CB 4.06Å; A89-L120 HydrophobicContact CB-CD1 4.46Å; A89-L269 HydrophobicContact CB-CB 4.44Å
90L93.1Very high94Very high7 Ų740.7 Ų40.74%0.03719%0.191CC..Hα-helixtrans-64.2-42.3176-71173.2000112.5K86 T87 S88 S93 Q94 F254 K259 L269K86-L90 PolarHBondContact O-N 3.12Å; K86-L90 VanDerWaalsContact O-N 3.12Å; T87-L90 PolarHBondContact O-N 3.38Å; S88-L90 VanDerWaalsContact C-N 3.33Å; S88-L90 PolarHBondContact O-N 3.04Å; L90-S93 WeakPolarHBondContact O-CB 3.29Å; L90-S93 PolarHBondContact O-N 3.3Å; L90-Q94 PolarHBondContact O-N 3.36Å; L90-F254 VanDerWaalsContact C-CZ 3.49Å; L90-F254 HydrophobicContact CB-CD1 4.29Å; L90-F254 HydrophobicContact CB-CD2 3.77Å; L90-F254 HydrophobicContact CB-CE1 4.04Å; L90-F254 HydrophobicContact CB-CE2 3.49Å; L90-F254 VanDerWaalsContact CB-CE2 3.49Å; L90-F254 HydrophobicContact CB-CG 4.15Å; L90-F254 HydrophobicContact CB-CZ 3.62Å; L90-F254 HydrophobicContact CD1-CB 4.23Å; L90-F254 HydrophobicContact CD1-CD2 3.78Å; L90-F254 HydrophobicContact CD1-CE2 4.32Å; L90-F254 HydrophobicContact CD1-CG 4.06Å; L90-F254 HydrophobicContact CG-CD2 4.41Å; L90-K259 HydrophobicContact CD1-CG 4.21Å; L90-K259 HydrophobicContact CD2-CG 3.98Å; L90-L269 HydrophobicContact CD2-CD2 3.67Å; L90-L269 HydrophobicContact CG-CD2 3.82Å
91H95.3Very high93.6Very high14 Ų1444.3 Ų44.37%0.06521%0.208CC..Hα-helixtrans-64-42.2174.9-83.9-56.5000112.4K75 G76 T87 S88 S93 Q94 G95 F254K75-H91 HydrophobicContact CB-CB 4.46Å; G76-H91 VanDerWaalsContact CA-CB 3.49Å; T87-H91 PolarHBondContact O-CD2 3.1Å; T87-H91 PolarHBondContact O-N 3.5Å; S88-H91 PolarHBondContact O-N 2.7Å; H91-S93 VanDerWaalsContact C-N 3.34Å; H91-Q94 PolarHBondContact O-N 3.27Å; H91-G95 PolarHBondContact O-N 3.05Å; H91-F254 HydrophobicContact CB-CZ 4.23Å; H91-F254 AromaticContact CD2-CE2 3.83Å; H91-F254 AromaticContact CD2-CZ 3.99Å; H91-F254 AromaticContact CE1-CE2 3.65Å; H91-F254 AromaticContact CE1-CZ 3.49Å; H91-F254 VanDerWaalsContact CE1-CZ 3.49Å; H91-F254 WeakPolarHBondContact CE1-CZ 3.4Å; H91-F254 AromaticContact CG-CE2 3.95Å; H91-F254 AromaticContact CG-CZ 3.62Å; H91-F254 AromaticContact ND1-CE2 3.88Å; H91-F254 AromaticContact ND1-CZ 3.33Å; H91-F254 VanDerWaalsContact ND1-CZ 3.33Å; H91-F254 WeakPolarHBondContact ND1-CZ 3.3Å; H91-F254 AromaticContact NE2-CE2 3.65Å; H91-F254 AromaticContact NE2-CZ 3.92Å
92Y97.3Very high93.2Very high4 Ų441.9 Ų41.92%0.01621%0.213CC..Hα-helixtrans-64.3-39.6174.2-60.4-45.9000112.1R73 G76 N77 S88 A89 Q94 G95 I96 N112 R113 A116R73-Y92 HydrophobicContact CG-CD1 4.23Å; R73-Y92 HydrophobicContact CG-CE1 4.11Å; R73-Y92 WeakPolarHBondContact O-CE1 3.4Å; G76-Y92 VanDerWaalsContact C-CZ 3.44Å; G76-Y92 VanDerWaalsContact C-OH 3.27Å; G76-Y92 PolarHBondContact O-OH 3.15Å; N77-Y92 WeakPolarHBondContact CA-OH 3.49Å; N77-Y92 PolarHBondContact N-OH 3.37Å; N77-Y92 WeakPolarHBondContact OD1-CE1 3.17Å; N77-Y92 PolarHBondContact OD1-OH 2.84Å; S88-Y92 WeakPolarHBondContact O-CD2 3.34Å; S88-Y92 PolarHBondContact O-N 3.22Å; S88-Y92 WeakPolarHBondContact OG-CE2 3.3Å; A89-Y92 PolarHBondContact O-N 2.9Å; Y92-Q94 VanDerWaalsContact C-N 3.34Å; Y92-Q94 PolarHBondContact O-N 3.01Å; Y92-G95 WeakPolarHBondContact O-CA 2.99Å; Y92-G95 PolarHBondContact O-N 3.01Å; Y92-G95 VanDerWaalsContact O-N 3.13Å; Y92-I96 WeakPolarHBondContact O-CG1 3.46Å; Y92-I96 PolarHBondContact O-N 2.75Å; Y92-N112 HydrophobicContact CD1-CB 3.77Å; Y92-N112 HydrophobicContact CD2-CB 4.05Å; Y92-N112 HydrophobicContact CE1-CB 3.47Å; Y92-N112 VanDerWaalsContact CE1-CB 3.47Å; Y92-N112 HydrophobicContact CE2-CB 3.73Å; Y92-N112 WeakPolarHBondContact CE2-O 3.48Å; Y92-N112 HydrophobicContact CG-CB 4.07Å; Y92-N112 VanDerWaalsContact CZ-CB 3.45Å; Y92-R113 HydrophobicContact CD2-CB 4.18Å; Y92-R113 HydrophobicContact CG-CB 4.31Å; Y92-A116 HydrophobicContact CE2-CB 4.44Å
93S95.9Very high93.2Very high2 Ų238 Ų381%0.01419%0.19CC..Hα-helixtrans-59.8-41.4172.3-75.30000112.9A89 L90 H91 G95 I96 C97 R113 L269A89-S93 WeakPolarHBondContact O-CB 3.46Å; A89-S93 PolarHBondContact O-N 3.23Å; A89-S93 PolarHBondContact O-OG 2.91Å; L90-S93 WeakPolarHBondContact O-CB 3.29Å; L90-S93 PolarHBondContact O-N 3.3Å; H91-S93 VanDerWaalsContact C-N 3.34Å; S93-G95 VanDerWaalsContact C-N 3.33Å; S93-I96 PolarHBondContact O-N 3.35Å; S93-C97 PolarHBondContact O-N 2.91Å; S93-C97 PolarHBondContact O-SG 2.67Å; S93-R113 WeakPolarHBondContact OG-CD 3.47Å; S93-R113 PolarHBondContact OG-NH1 3.45Å; S93-L269 PolarHBondContact OG-O 2.9Å
94Q94.4Very high93.2Very high22 Ų2233.9 Ų33.910%0.10318%0.179CC..Hα-helixtrans-63.5-41.2173-169.866.822.400111.3C72 L90 H91 Y92 I96 C97 F98 F254 H258 R281C72-Q94 HydrophobicContact CB-CB 4.44Å; L90-Q94 PolarHBondContact O-N 3.36Å; H91-Q94 PolarHBondContact O-N 3.27Å; Y92-Q94 VanDerWaalsContact C-N 3.34Å; Y92-Q94 PolarHBondContact O-N 3.01Å; Q94-I96 PolarHBondContact O-N 3.18Å; Q94-C97 WeakPolarHBondContact O-CB 3.49Å; Q94-C97 PolarHBondContact O-N 3.2Å; Q94-C97 VanDerWaalsContact O-N 3.14Å; Q94-F98 HydrophobicContact CG-CD2 4.06Å; Q94-F98 HydrophobicContact CG-CE2 3.84Å; Q94-F98 WeakPolarHBondContact O-CD2 3.36Å; Q94-F98 PolarHBondContact O-N 3.3Å; Q94-F98 VanDerWaalsContact O-N 3.08Å; Q94-F254 HydrophobicContact CB-CE1 4.26Å; Q94-H258 PolarHBondContact OE1-ND1 3.37Å; Q94-R281 VanDerWaalsContact OE1-CZ 3.26Å
95G95.6Very high93.6Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-60.2-43.3174.600000112.9A69 H91 Y92 S93 C97 F98 A99A69-G95 WeakPolarHBondContact CB-O 3.44Å; H91-G95 PolarHBondContact O-N 3.05Å; Y92-G95 WeakPolarHBondContact O-CA 2.99Å; Y92-G95 PolarHBondContact O-N 3.01Å; Y92-G95 VanDerWaalsContact O-N 3.13Å; S93-G95 VanDerWaalsContact C-N 3.33Å; G95-C97 VanDerWaalsContact C-N 3.28Å; G95-C97 PolarHBondContact O-N 3.01Å; G95-F98 PolarHBondContact O-N 3.2Å; G95-A99 WeakPolarHBondContact O-CB 3.37Å; G95-A99 PolarHBondContact O-N 3.43Å
96I96.4Very high93.7Very high0 Ų030.8 Ų30.80%016%0.164CC..Hα-helixtrans-60.1-37.9173.6-71.1159.2000111.4Y92 S93 Q94 L106 C109 Y110 P273Y92-I96 WeakPolarHBondContact O-CG1 3.46Å; Y92-I96 PolarHBondContact O-N 2.75Å; S93-I96 PolarHBondContact O-N 3.35Å; Q94-I96 PolarHBondContact O-N 3.18Å; I96-L106 HydrophobicContact CB-CD1 4.48Å; I96-L106 HydrophobicContact CG2-CD1 4.02Å; I96-C109 HydrophobicContact CD1-CB 4.23Å; I96-C109 HydrophobicContact CG1-CB 3.54Å; I96-Y110 HydrophobicContact CD1-CD1 3.46Å; I96-Y110 VanDerWaalsContact CD1-CD1 3.46Å; I96-Y110 HydrophobicContact CD1-CE1 3.61Å; I96-Y110 HydrophobicContact CD1-CG 4.09Å; I96-Y110 HydrophobicContact CG1-CD1 4.12Å; I96-Y110 HydrophobicContact CG1-CE1 4.1Å; I96-Y110 HydrophobicContact CG1-CG 4.38Å; I96-Y110 HydrophobicContact CG2-CE1 3.93Å; I96-Y110 HydrophobicContact CG2-CE2 4.41Å; I96-P273 HydrophobicContact CG2-CB 4.12Å; I96-P273 HydrophobicContact CG2-CG 3.55Å
97C95.2Very high93.9Very high0 Ų026.6 Ų26.60%015%0.146CC..Hα-helixtrans-67.2-39176.8-64.90000112.2K64 S93 Q94 G95 P273 S278K64-C97 WeakPolarHBondContact CD-O 3.47Å; K64-C97 WeakPolarHBondContact CE-O 3.23Å; K64-C97 PolarHBondContact NZ-O 3.48Å; S93-C97 PolarHBondContact O-N 2.91Å; S93-C97 PolarHBondContact O-SG 2.67Å; Q94-C97 WeakPolarHBondContact O-CB 3.49Å; Q94-C97 PolarHBondContact O-N 3.2Å; Q94-C97 VanDerWaalsContact O-N 3.14Å; G95-C97 VanDerWaalsContact C-N 3.28Å; G95-C97 PolarHBondContact O-N 3.01Å; C97-P273 HydrophobicContact CB-CB 4.44Å; C97-S278 WeakPolarHBondContact CB-O 3.48Å; C97-S278 VanDerWaalsContact O-CA 3.22Å; C97-S278 WeakPolarHBondContact O-CA 3.07Å; C97-S278 WeakPolarHBondContact O-CB 3.2Å
98F95.6Very high94.3Very high20 Ų2026 Ų269%0.08814%0.141CC..Hα-helixtrans-76.1-31.2175.7-77.8-66.9000113.7K64 D65 E68 A69 Q94 G95 P100 S278K64-F98 CarbonylContact C-O 3.57Å; K64-F98 WeakPolarHBondContact CA-O 3.41Å; K64-F98 WeakPolarHBondContact CB-O 3.45Å; K64-F98 WeakPolarHBondContact CD-O 3.13Å; D65-F98 PolarHBondContact N-O 3.29Å; E68-F98 HydrophobicContact CB-CB 4.29Å; E68-F98 HydrophobicContact CB-CD1 3.98Å; E68-F98 HydrophobicContact CB-CD2 4.11Å; E68-F98 HydrophobicContact CB-CE1 4.32Å; E68-F98 HydrophobicContact CB-CE2 4.39Å; E68-F98 HydrophobicContact CB-CG 3.89Å; A69-F98 HydrophobicContact CB-CB 3.96Å; Q94-F98 HydrophobicContact CG-CD2 4.06Å; Q94-F98 HydrophobicContact CG-CE2 3.84Å; Q94-F98 WeakPolarHBondContact O-CD2 3.36Å; Q94-F98 PolarHBondContact O-N 3.3Å; Q94-F98 VanDerWaalsContact O-N 3.08Å; G95-F98 PolarHBondContact O-N 3.2Å; F98-P100 WeakPolarHBondContact O-CD 3.32Å; F98-S278 VanDerWaalsContact CD1-CB 3.43Å; F98-S278 WeakPolarHBondContact CE1-OG 3.49Å
99A95.8Very high94.4Very high1 Ų126 Ų261%0.00814%0.141CC..SBendtrans-62.4125-171.300000112.6A69 G95 Q105 L106A69-A99 HydrophobicContact CB-CB 3.92Å; G95-A99 WeakPolarHBondContact O-CB 3.37Å; G95-A99 PolarHBondContact O-N 3.43Å; A99-Q105 HydrophobicContact CB-CB 4.42Å; A99-L106 HydrophobicContact CB-CB 3.81Å; A99-L106 HydrophobicContact CB-CD1 4.03Å
100P94.2Very high94.5Very high34 Ų3426.9 Ų26.922%0.22115%0.145CC..  trans-60.3149.4166.1-21.232000111.2K64 A66 F98 S102 S103K64-P100 HydrophobicContact CB-CB 4.45Å; K64-P100 HydrophobicContact CB-CG 4.07Å; A66-P100 HydrophobicContact CB-CG 4.34Å; F98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-S102 PolarHBondContact O-N 3.36Å; P100-S102 VanDerWaalsContact O-N 3.13Å; P100-S103 WeakPolarHBondContact O-CB 3.22Å; P100-S103 PolarHBondContact O-N 3.47Å
101Q87.6Confident94.7Very high130 Ų13026.6 Ų26.661%0.60714%0.143SC*.THydrogen-bonded Turntrans-58.7-30.6-175.3-165.667.917.300113.8
102S86Confident94.9Very high120 Ų12027.6 Ų27.684%0.83915%0.149SC*.THydrogen-bonded Turntrans-89.7-3.4179.4540000114.1P100P100-S102 PolarHBondContact O-N 3.36Å; P100-S102 VanDerWaalsContact O-N 3.13Å
103S91.2Very high94.9Very high23 Ų2327.4 Ų27.416%0.16115%0.149CC..  trans-82.6135.9-176.6-175.50000111.3P100 Q105 L106P100-S103 WeakPolarHBondContact O-CB 3.22Å; P100-S103 PolarHBondContact O-N 3.47Å; S103-Q105 PolarHBondContact O-N 3Å; S103-Q105 VanDerWaalsContact O-N 3.13Å; S103-Q105 WeakPolarHBondContact OG-CB 3.36Å; S103-Q105 PolarHBondContact OG-N 2.85Å; S103-L106 WeakPolarHBondContact O-CB 3.46Å; S103-L106 PolarHBondContact O-N 3.38Å
104E92.7Very high95Very high106 Ų10627.3 Ų27.350%0.49515%0.148SC..Hα-helixtrans-56.6-26.7169.2-170.1-177.1-159.700112L106 S107 L108 P139E104-L106 PolarHBondContact O-N 2.98Å; E104-L106 VanDerWaalsContact O-N 3.14Å; E104-S107 PolarHBondContact O-N 2.69Å; E104-S107 PolarHBondContact O-OG 2.86Å; E104-L108 HydrophobicContact CG-CD1 4.02Å; E104-L108 HydrophobicContact CG-CG 4.11Å; E104-L108 WeakPolarHBondContact O-CG 3.28Å; E104-L108 PolarHBondContact O-N 3.06Å; E104-L108 VanDerWaalsContact O-N 3.07Å; E104-P139 WeakPolarHBondContact OE1-CG 3.36Å
105Q95.4Very high95.1Very high33 Ų3326.9 Ų26.915%0.15415%0.148CC..Hα-helixtrans-58.8-29.5176.8-63.1-56-42.600112.6A69 A70 A99 S103 C109A69-Q105 HydrophobicContact CB-CB 3.94Å; A69-Q105 HydrophobicContact CB-CG 4.43Å; A70-Q105 HydrophobicContact CB-CG 4.31Å; A99-Q105 HydrophobicContact CB-CB 4.42Å; S103-Q105 PolarHBondContact O-N 3Å; S103-Q105 VanDerWaalsContact O-N 3.13Å; S103-Q105 WeakPolarHBondContact OG-CB 3.36Å; S103-Q105 PolarHBondContact OG-N 2.85Å; Q105-C109 WeakPolarHBondContact O-CB 3.42Å; Q105-C109 PolarHBondContact O-N 2.98Å; Q105-C109 PolarHBondContact O-SG 3.23Å
106L95.6Very high95.2Very high2 Ų226.9 Ų26.91%0.0115%0.148CC..Hα-helixtrans-64-51.6177.9-176.359.2000111.2I96 A99 S103 E104 C109 Y110 T136I96-L106 HydrophobicContact CB-CD1 4.48Å; I96-L106 HydrophobicContact CG2-CD1 4.02Å; A99-L106 HydrophobicContact CB-CB 3.81Å; A99-L106 HydrophobicContact CB-CD1 4.03Å; S103-L106 WeakPolarHBondContact O-CB 3.46Å; S103-L106 PolarHBondContact O-N 3.38Å; E104-L106 PolarHBondContact O-N 2.98Å; E104-L106 VanDerWaalsContact O-N 3.14Å; L106-C109 PolarHBondContact O-N 3.42Å; L106-Y110 HydrophobicContact CD1-CD2 4.05Å; L106-Y110 HydrophobicContact CD1-CE2 3.44Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.44Å; L106-Y110 HydrophobicContact CD2-CE2 4.44Å; L106-Y110 HydrophobicContact CG-CD2 4.1Å; L106-Y110 HydrophobicContact CG-CE2 3.73Å; L106-Y110 VanDerWaalsContact O-CD2 3.23Å; L106-Y110 WeakPolarHBondContact O-CD2 3.22Å; L106-Y110 PolarHBondContact O-N 3.28Å; L106-Y110 VanDerWaalsContact O-N 3.12Å; L106-T136 HydrophobicContact CD2-CG2 3.87Å; L106-T136 HydrophobicContact CG-CG2 4.28Å
107S95.6Very high95.2Very high0 Ų026.9 Ų26.90%015%0.148CC..Hα-helixtrans-66.6-38.7-179.469.30000111.6E104 Y110 A111 A133 T136E104-S107 PolarHBondContact O-N 2.69Å; E104-S107 PolarHBondContact O-OG 2.86Å; S107-Y110 PolarHBondContact O-N 3.47Å; S107-A111 WeakPolarHBondContact O-CB 3.32Å; S107-A111 PolarHBondContact O-N 2.93Å; S107-A133 WeakPolarHBondContact CB-O 3.5Å; S107-T136 WeakPolarHBondContact CA-OG1 3.47Å; S107-T136 VanDerWaalsContact CB-OG1 3.24Å; S107-T136 WeakPolarHBondContact CB-OG1 3.46Å
108L96.9Very high95.3Very high29 Ų2929.3 Ų29.315%0.15216%0.157CC..Hα-helixtrans-64.9-41175.8-65.7176.7000112.4E104 A111 N112 Y138 P139E104-L108 HydrophobicContact CG-CD1 4.02Å; E104-L108 HydrophobicContact CG-CG 4.11Å; E104-L108 WeakPolarHBondContact O-CG 3.28Å; E104-L108 PolarHBondContact O-N 3.06Å; E104-L108 VanDerWaalsContact O-N 3.07Å; L108-A111 PolarHBondContact O-N 3.29Å; L108-N112 WeakPolarHBondContact O-CB 3.43Å; L108-N112 VanDerWaalsContact O-CG 3.31Å; L108-N112 PolarHBondContact O-N 2.97Å; L108-N112 PolarHBondContact O-OD1 3.41Å; L108-Y138 HydrophobicContact CD2-CD2 4.31Å; L108-Y138 HydrophobicContact CD2-CE2 3.85Å; L108-P139 HydrophobicContact CD2-CG 4.44Å
109C97.4Very high95.2Very high0 Ų032.4 Ų32.40%017%0.172CC..Hα-helixtrans-68-40.3177.7-67.70000111.9I96 Q105 L106 N112 R113I96-C109 HydrophobicContact CD1-CB 4.23Å; I96-C109 HydrophobicContact CG1-CB 3.54Å; Q105-C109 WeakPolarHBondContact O-CB 3.42Å; Q105-C109 PolarHBondContact O-N 2.98Å; Q105-C109 PolarHBondContact O-SG 3.23Å; L106-C109 PolarHBondContact O-N 3.42Å; C109-N112 PolarHBondContact O-N 3.11Å; C109-R113 WeakPolarHBondContact O-CB 3.19Å; C109-R113 PolarHBondContact O-N 3.01Å
110Y97.6Very high95.1Very high17 Ų1734.9 Ų34.97%0.06719%0.185CC..Hα-helixtrans-61.9-43.5172.6-77.2-56.4000112.1I96 L106 S107 N112 R113 S114 D129 R132I96-Y110 HydrophobicContact CD1-CD1 3.46Å; I96-Y110 VanDerWaalsContact CD1-CD1 3.46Å; I96-Y110 HydrophobicContact CD1-CE1 3.61Å; I96-Y110 HydrophobicContact CD1-CG 4.09Å; I96-Y110 HydrophobicContact CG1-CD1 4.12Å; I96-Y110 HydrophobicContact CG1-CE1 4.1Å; I96-Y110 HydrophobicContact CG1-CG 4.38Å; I96-Y110 HydrophobicContact CG2-CE1 3.93Å; I96-Y110 HydrophobicContact CG2-CE2 4.41Å; L106-Y110 HydrophobicContact CD1-CD2 4.05Å; L106-Y110 HydrophobicContact CD1-CE2 3.44Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.44Å; L106-Y110 HydrophobicContact CD2-CE2 4.44Å; L106-Y110 HydrophobicContact CG-CD2 4.1Å; L106-Y110 HydrophobicContact CG-CE2 3.73Å; L106-Y110 VanDerWaalsContact O-CD2 3.23Å; L106-Y110 WeakPolarHBondContact O-CD2 3.22Å; L106-Y110 PolarHBondContact O-N 3.28Å; L106-Y110 VanDerWaalsContact O-N 3.12Å; S107-Y110 PolarHBondContact O-N 3.47Å; Y110-N112 VanDerWaalsContact C-N 3.31Å; Y110-N112 PolarHBondContact O-N 3.15Å; Y110-R113 PolarHBondContact O-N 3.22Å; Y110-S114 PolarHBondContact O-N 3.14Å; Y110-S114 PolarHBondContact O-OG 3.19Å; Y110-D129 HydrophobicContact CD1-CB 4.48Å; Y110-D129 WeakPolarHBondContact CD1-OD1 3.33Å; Y110-R132 HydrophobicContact CD1-CB 4.05Å; Y110-R132 HydrophobicContact CD2-CB 3.92Å; Y110-R132 HydrophobicContact CE1-CB 4.18Å; Y110-R132 HydrophobicContact CE1-CG 4.49Å; Y110-R132 HydrophobicContact CE2-CB 4.04Å; Y110-R132 HydrophobicContact CG-CB 3.94Å
111A97.8Very high95.1Very high1 Ų140 Ų401%0.00821%0.206CC..Hα-helixtrans-62.3-36.8176.700000112.9S107 L108 S114 A133 Y138 L146 R149S107-A111 WeakPolarHBondContact O-CB 3.32Å; S107-A111 PolarHBondContact O-N 2.93Å; L108-A111 PolarHBondContact O-N 3.29Å; A111-S114 PolarHBondContact O-OG 3.44Å; A111-A133 HydrophobicContact CB-CB 4.17Å; A111-Y138 HydrophobicContact CB-CD2 3.72Å; A111-Y138 HydrophobicContact CB-CE2 3.18Å; A111-L146 HydrophobicContact CB-CD1 4.38Å; A111-L146 HydrophobicContact CB-CD2 3.9Å; A111-R149 PolarHBondContact O-NH1 3.15Å
112N98Very high95.3Very high36 Ų3637 Ų3719%0.19319%0.191CC..Hα-helixtrans-78.2-38.3177.2-71.54.4000112N77 Y92 L108 C109 Y110 S114 A115 A116N77-N112 PolarHBondContact OD1-ND2 2.85Å; Y92-N112 HydrophobicContact CD1-CB 3.77Å; Y92-N112 HydrophobicContact CD2-CB 4.05Å; Y92-N112 HydrophobicContact CE1-CB 3.47Å; Y92-N112 VanDerWaalsContact CE1-CB 3.47Å; Y92-N112 HydrophobicContact CE2-CB 3.73Å; Y92-N112 WeakPolarHBondContact CE2-O 3.48Å; Y92-N112 HydrophobicContact CG-CB 4.07Å; Y92-N112 VanDerWaalsContact CZ-CB 3.45Å; L108-N112 WeakPolarHBondContact O-CB 3.43Å; L108-N112 VanDerWaalsContact O-CG 3.31Å; L108-N112 PolarHBondContact O-N 2.97Å; L108-N112 PolarHBondContact O-OD1 3.41Å; C109-N112 PolarHBondContact O-N 3.11Å; Y110-N112 VanDerWaalsContact C-N 3.31Å; Y110-N112 PolarHBondContact O-N 3.15Å; N112-S114 PolarHBondContact O-N 3.39Å; N112-A115 WeakPolarHBondContact O-CB 3.48Å; N112-A115 PolarHBondContact O-N 3.2Å; N112-A116 PolarHBondContact O-N 3.43Å
113R97.7Very high95.6Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-61.9-43.5175.5-164.1169.767.4179.72.4111.7A89 Y92 S93 C109 Y110 A115 A116 L117 D129 A271A89-R113 HydrophobicContact CB-CG 4.32Å; Y92-R113 HydrophobicContact CD2-CB 4.18Å; Y92-R113 HydrophobicContact CG-CB 4.31Å; S93-R113 WeakPolarHBondContact OG-CD 3.47Å; S93-R113 PolarHBondContact OG-NH1 3.45Å; C109-R113 WeakPolarHBondContact O-CB 3.19Å; C109-R113 PolarHBondContact O-N 3.01Å; Y110-R113 PolarHBondContact O-N 3.22Å; R113-A115 PolarHBondContact O-N 2.97Å; R113-A116 PolarHBondContact O-N 3.3Å; R113-L117 HydrophobicContact CG-CD1 4.1Å; R113-L117 HydrophobicContact CG-CG 4.29Å; R113-L117 VanDerWaalsContact O-CG 3.27Å; R113-L117 WeakPolarHBondContact O-CG 3.37Å; R113-L117 PolarHBondContact O-N 2.75Å; R113-D129 IonicContact CZ-OD1 2.88Å; R113-D129 IonicContact CZ-OD2 3.74Å; R113-D129 VanDerWaalsContact CZ-OD2 3.3Å; R113-D129 IonicContact NE-OD1 3.71Å; R113-D129 IonicContact NE-OD2 3.22Å; R113-D129 PolarHBondContact NE-OD2 3.43Å; R113-D129 VanDerWaalsContact NH2-CG 3.34Å; R113-D129 IonicContact NH2-OD1 3.01Å; R113-D129 PolarHBondContact NH2-OD1 3.16Å; R113-D129 IonicContact NH2-OD2 2.77Å; R113-D129 PolarHBondContact NH2-OD2 2.79Å; R113-D129 VanDerWaalsContact NH2-OD2 3.1Å; R113-A271 PolarHBondContact NH1-O 2.79Å
114S97.8Very high95.7Very high0 Ų033.9 Ų33.90%016%0.16CC..Hα-helixtrans-58.7-28.7173.251.70000113.1Y110 A111 N112 Y118 C126 R149Y110-S114 PolarHBondContact O-N 3.14Å; Y110-S114 PolarHBondContact O-OG 3.19Å; A111-S114 PolarHBondContact O-OG 3.44Å; N112-S114 PolarHBondContact O-N 3.39Å; S114-Y118 WeakPolarHBondContact O-CB 3.48Å; S114-Y118 PolarHBondContact O-N 2.86Å; S114-C126 WeakPolarHBondContact CB-O 3.47Å; S114-C126 PolarHBondContact O-SG 3.19Å; S114-R149 PolarHBondContact OG-NH1 2.91Å
115A97.6Very high95.6Very high12 Ų1231.3 Ų31.310%0.09915%0.148CC..Hα-helixtrans-66.8-46.3173.800000111.3F80 N112 R113 Y118 H119 R149F80-A115 HydrophobicContact CE2-CB 3.79Å; F80-A115 HydrophobicContact CZ-CB 4.02Å; N112-A115 WeakPolarHBondContact O-CB 3.48Å; N112-A115 PolarHBondContact O-N 3.2Å; R113-A115 PolarHBondContact O-N 2.97Å; A115-Y118 PolarHBondContact O-N 2.77Å; A115-H119 PolarHBondContact O-CD2 3.03Å; A115-H119 VanDerWaalsContact O-CD2 3.23Å; A115-H119 PolarHBondContact O-N 3.27Å; A115-R149 VanDerWaalsContact CB-CZ 3.45Å; A115-R149 VanDerWaalsContact CB-NH2 3.25Å
116A97.5Very high95.6Very high0 Ų029.8 Ų29.80%014%0.141CC..Hα-helixtrans-64.1-44.3177.600000111.2F80 A89 Y92 N112 R113 Y118 H119 L120F80-A116 HydrophobicContact CD2-CB 4.25Å; F80-A116 HydrophobicContact CE2-CB 4.3Å; A89-A116 HydrophobicContact CB-CB 4.06Å; Y92-A116 HydrophobicContact CE2-CB 4.44Å; N112-A116 PolarHBondContact O-N 3.43Å; R113-A116 PolarHBondContact O-N 3.3Å; A116-Y118 VanDerWaalsContact C-N 3.32Å; A116-Y118 PolarHBondContact O-N 3.1Å; A116-H119 PolarHBondContact O-N 3.34Å; A116-H119 VanDerWaalsContact O-N 3.13Å; A116-L120 WeakPolarHBondContact O-CG 3.28Å; A116-L120 PolarHBondContact O-N 2.76Å
117L95.9Very high95.6Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-60.8-38.7178.3-65.8170.9000112.7R113 H119 L120 Q121 Q122 E125 C126 L269 C270R113-L117 HydrophobicContact CG-CD1 4.1Å; R113-L117 HydrophobicContact CG-CG 4.29Å; R113-L117 VanDerWaalsContact O-CG 3.27Å; R113-L117 WeakPolarHBondContact O-CG 3.37Å; R113-L117 PolarHBondContact O-N 2.75Å; L117-H119 VanDerWaalsContact C-N 3.35Å; L117-H119 PolarHBondContact O-N 2.98Å; L117-L120 CarbonylContact O-C 3.56Å; L117-L120 PolarHBondContact O-N 3.44Å; L117-Q121 PolarHBondContact O-N 3.41Å; L117-Q121 VanDerWaalsContact O-N 3.13Å; L117-Q122 HydrophobicContact CB-CB 4.29Å; L117-Q122 HydrophobicContact CD2-CB 4.18Å; L117-Q122 PolarHBondContact O-N 2.97Å; L117-E125 HydrophobicContact CD1-CB 4.03Å; L117-C126 HydrophobicContact CB-CB 4.08Å; L117-L269 HydrophobicContact CD2-CB 4.4Å; L117-C270 VanDerWaalsContact CD1-SG 3.52Å; L117-C270 WeakPolarHBondContact CD2-SG 3.25Å
118Y96.5Very high95.6Very high52 Ų5235 Ų3520%0.20416%0.161CC..Hα-helixtrans-58.4-45.5173.6174.4-99000112.1S114 A115 A116 L120 Q121 Y123 R149 L152S114-Y118 WeakPolarHBondContact O-CB 3.48Å; S114-Y118 PolarHBondContact O-N 2.86Å; A115-Y118 PolarHBondContact O-N 2.77Å; A116-Y118 VanDerWaalsContact C-N 3.32Å; A116-Y118 PolarHBondContact O-N 3.1Å; Y118-L120 VanDerWaalsContact C-N 3.29Å; Y118-L120 PolarHBondContact O-N 3.44Å; Y118-Q121 PolarHBondContact O-N 3.31Å; Y118-Y123 HydrophobicContact CD2-CD1 4.05Å; Y118-Y123 AromaticContact CD2-CE1 3.93Å; Y118-Y123 HydrophobicContact CD2-CE1 3.93Å; Y118-Y123 HydrophobicContact CE2-CD1 4.32Å; Y118-Y123 AromaticContact CE2-CE1 3.9Å; Y118-Y123 HydrophobicContact CE2-CE1 3.9Å; Y118-R149 HydrophobicContact CD2-CG 4.26Å; Y118-R149 HydrophobicContact CG-CG 4.25Å; Y118-L152 HydrophobicContact CE2-CB 3.69Å; Y118-L152 HydrophobicContact CE2-CD1 4.49Å
119H95Very high95.5Very high85 Ų8533.7 Ų33.739%0.39415%0.154SC..Hα-helixtrans-69.1-28177.2-74-69.7000113.2F80 Y85 A115 A116 L117 Q121F80-H119 AromaticContact CE2-CD2 3.88Å; F80-H119 AromaticContact CZ-CD2 3.54Å; F80-H119 AromaticContact CZ-NE2 3.7Å; Y85-H119 HydrophobicContact CD1-CB 3.77Å; Y85-H119 HydrophobicContact CD2-CB 3.6Å; Y85-H119 HydrophobicContact CE1-CB 3.82Å; Y85-H119 AromaticContact CE1-CD2 3.49Å; Y85-H119 VanDerWaalsContact CE1-CD2 3.49Å; Y85-H119 WeakPolarHBondContact CE1-CD2 3.22Å; Y85-H119 AromaticContact CE1-CG 3.63Å; Y85-H119 HydrophobicContact CE2-CB 3.65Å; Y85-H119 AromaticContact CE2-CG 3.94Å; Y85-H119 HydrophobicContact CG-CB 3.66Å; Y85-H119 AromaticContact CZ-CD2 3.83Å; Y85-H119 AromaticContact CZ-CG 3.55Å; Y85-H119 AromaticContact CZ-ND1 3.88Å; A115-H119 PolarHBondContact O-CD2 3.03Å; A115-H119 VanDerWaalsContact O-CD2 3.23Å; A115-H119 PolarHBondContact O-N 3.27Å; A116-H119 PolarHBondContact O-N 3.34Å; A116-H119 VanDerWaalsContact O-N 3.13Å; L117-H119 VanDerWaalsContact C-N 3.35Å; L117-H119 PolarHBondContact O-N 2.98Å; H119-Q121 PolarHBondContact O-N 3.12Å
120L92.4Very high95.5Very high52 Ų5233.7 Ų33.727%0.27215%0.154SC..THydrogen-bonded Turntrans-79.13.5171.1-65170.7000113.3A89 A116 L117 Y118 Q122 L269A89-L120 HydrophobicContact CB-CD1 4.46Å; A116-L120 WeakPolarHBondContact O-CG 3.28Å; A116-L120 PolarHBondContact O-N 2.76Å; L117-L120 CarbonylContact O-C 3.56Å; L117-L120 PolarHBondContact O-N 3.44Å; Y118-L120 VanDerWaalsContact C-N 3.29Å; Y118-L120 PolarHBondContact O-N 3.44Å; L120-Q122 HydrophobicContact CB-CG 4.39Å; L120-Q122 PolarHBondContact O-N 2.78Å; L120-Q122 VanDerWaalsContact O-N 3.17Å; L120-L269 HydrophobicContact CD1-CD1 3.78Å
121Q94.1Very high95.4Very high142 Ų14235 Ų3566%0.66416%0.162SC*.THydrogen-bonded Turntrans60.519.9-178.3-51.6178.336.600114.1L117 Y118 H119 Y123L117-Q121 PolarHBondContact O-N 3.41Å; L117-Q121 VanDerWaalsContact O-N 3.13Å; Y118-Q121 PolarHBondContact O-N 3.31Å; H119-Q121 PolarHBondContact O-N 3.12Å; Q121-Y123 VanDerWaalsContact C-N 3.26Å; Q121-Y123 HydrophobicContact CB-CE2 3.9Å; Q121-Y123 VanDerWaalsContact O-CD2 3.31Å; Q121-Y123 WeakPolarHBondContact O-CD2 3.31Å; Q121-Y123 PolarHBondContact O-N 3.18Å; Q121-Y123 VanDerWaalsContact O-N 3.08Å
122Q91.5Very high95.2Very high66 Ų6638.1 Ų38.131%0.30817%0.174SC..  trans-85.968.3173-68.3-169.4-15.400109.4L117 L120 Q124 E125 C126L117-Q122 HydrophobicContact CB-CB 4.29Å; L117-Q122 HydrophobicContact CD2-CB 4.18Å; L117-Q122 PolarHBondContact O-N 2.97Å; L120-Q122 HydrophobicContact CB-CG 4.39Å; L120-Q122 PolarHBondContact O-N 2.78Å; L120-Q122 VanDerWaalsContact O-N 3.17Å; Q122-Q124 PolarHBondContact O-N 3.49Å; Q122-E125 HydrophobicContact CB-CB 4.31Å; Q122-E125 WeakPolarHBondContact CB-OE2 3.41Å; Q122-C126 VanDerWaalsContact O-CB 3.28Å; Q122-C126 WeakPolarHBondContact O-CB 3.37Å; Q122-C126 PolarHBondContact O-N 3.44Å
123Y94.3Very high95.1Very high38 Ų3836.4 Ų36.415%0.14917%0.165CC..Hα-helixtrans-67.2-36.3-169.2-58.6-63.3000113.1Y118 Q121 C126 L127 C153 H156Y118-Y123 HydrophobicContact CD2-CD1 4.05Å; Y118-Y123 AromaticContact CD2-CE1 3.93Å; Y118-Y123 HydrophobicContact CD2-CE1 3.93Å; Y118-Y123 HydrophobicContact CE2-CD1 4.32Å; Y118-Y123 AromaticContact CE2-CE1 3.9Å; Y118-Y123 HydrophobicContact CE2-CE1 3.9Å; Q121-Y123 VanDerWaalsContact C-N 3.26Å; Q121-Y123 HydrophobicContact CB-CE2 3.9Å; Q121-Y123 VanDerWaalsContact O-CD2 3.31Å; Q121-Y123 WeakPolarHBondContact O-CD2 3.31Å; Q121-Y123 PolarHBondContact O-N 3.18Å; Q121-Y123 VanDerWaalsContact O-N 3.08Å; Y123-C126 WeakPolarHBondContact O-CB 3.37Å; Y123-C126 PolarHBondContact O-N 3.18Å; Y123-L127 WeakPolarHBondContact O-CG 3.46Å; Y123-L127 PolarHBondContact O-N 3.24Å; Y123-L127 VanDerWaalsContact O-N 3.14Å; Y123-C153 HydrophobicContact CD1-CB 4.34Å; Y123-H156 HydrophobicContact CD1-CB 4.18Å; Y123-H156 HydrophobicContact CD2-CB 3.69Å; Y123-H156 HydrophobicContact CE1-CB 4.01Å; Y123-H156 AromaticContact CE1-CD2 3.61Å; Y123-H156 AromaticContact CE1-CG 3.84Å; Y123-H156 HydrophobicContact CE2-CB 3.5Å; Y123-H156 VanDerWaalsContact CE2-CB 3.5Å; Y123-H156 AromaticContact CE2-CG 3.85Å; Y123-H156 HydrophobicContact CG-CB 4.03Å; Y123-H156 AromaticContact CZ-CD2 3.68Å; Y123-H156 AromaticContact CZ-CG 3.5Å; Y123-H156 VanDerWaalsContact CZ-CG 3.5Å; Y123-H156 AromaticContact CZ-ND1 3.95Å
124Q91.3Very high94.9Very high40 Ų4039 Ų3919%0.18718%0.178CC..Hα-helixtrans-69.4-44.6-179.5-172.363.524.200111.2Q122 C126 L127 Y128Q122-Q124 PolarHBondContact O-N 3.49Å; Q124-C126 VanDerWaalsContact C-N 3.32Å; Q124-C126 PolarHBondContact O-N 3.37Å; Q124-L127 WeakPolarHBondContact O-CB 3.24Å; Q124-L127 PolarHBondContact O-N 2.96Å; Q124-Y128 HydrophobicContact CG-CD2 4.49Å; Q124-Y128 HydrophobicContact CG-CE2 3.76Å; Q124-Y128 PolarHBondContact NE2-OH 2.88Å; Q124-Y128 PolarHBondContact O-N 2.88Å; Q124-Y128 VanDerWaalsContact O-N 3.12Å
125E91.6Very high94.6Very high53 Ų5345.7 Ų45.725%0.24821%0.214CC..Hα-helixtrans-65-38.8176.7-63.971-159.800111.2L117 Q122 L127 Y128 D129 C270L117-E125 HydrophobicContact CD1-CB 4.03Å; Q122-E125 HydrophobicContact CB-CB 4.31Å; Q122-E125 WeakPolarHBondContact CB-OE2 3.41Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 3.28Å; E125-Y128 PolarHBondContact O-N 3.49Å; E125-D129 PolarHBondContact O-N 3.45Å; E125-C270 VanDerWaalsContact CB-SG 3.56Å; E125-C270 HydrophobicContact CG-CB 4.42Å
126C96.4Very high94.2Very high0 Ų047 Ų470%022%0.22CC..Hα-helixtrans-56.8-43.3172.4177.10000111.6S114 L117 Q122 Y123 Q124 D129 I130 R149 C153S114-C126 WeakPolarHBondContact CB-O 3.47Å; S114-C126 PolarHBondContact O-SG 3.19Å; L117-C126 HydrophobicContact CB-CB 4.08Å; Q122-C126 VanDerWaalsContact O-CB 3.28Å; Q122-C126 WeakPolarHBondContact O-CB 3.37Å; Q122-C126 PolarHBondContact O-N 3.44Å; Y123-C126 WeakPolarHBondContact O-CB 3.37Å; Y123-C126 PolarHBondContact O-N 3.18Å; Q124-C126 VanDerWaalsContact C-N 3.32Å; Q124-C126 PolarHBondContact O-N 3.37Å; C126-D129 PolarHBondContact O-N 2.97Å; C126-I130 VanDerWaalsContact O-CG1 3.31Å; C126-I130 WeakPolarHBondContact O-CG1 3.39Å; C126-I130 PolarHBondContact O-N 3.09Å; C126-R149 VanDerWaalsContact SG-CD 3.5Å; C126-C153 PolarHBondContact SG-SG 3.35Å
127L95.7Very high93.8Very high0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-64.8-44.3177.6-69.4172.5000111.8Y123 Q124 E125 D129 I130 D131 R150 C153 L154 L157Y123-L127 WeakPolarHBondContact O-CG 3.46Å; Y123-L127 PolarHBondContact O-N 3.24Å; Y123-L127 VanDerWaalsContact O-N 3.14Å; Q124-L127 WeakPolarHBondContact O-CB 3.24Å; Q124-L127 PolarHBondContact O-N 2.96Å; E125-L127 VanDerWaalsContact C-N 3.29Å; E125-L127 PolarHBondContact O-N 3.28Å; L127-D129 VanDerWaalsContact C-N 3.29Å; L127-D129 PolarHBondContact O-N 3.17Å; L127-I130 HydrophobicContact CD2-CD1 4.49Å; L127-I130 WeakPolarHBondContact O-CB 3.5Å; L127-I130 PolarHBondContact O-N 3.32Å; L127-I130 VanDerWaalsContact O-N 3.17Å; L127-D131 PolarHBondContact O-N 3.01Å; L127-R150 HydrophobicContact CD2-CB 4.25Å; L127-R150 HydrophobicContact CD2-CG 3.51Å; L127-C153 HydrophobicContact CD1-CB 4.41Å; L127-C153 HydrophobicContact CD2-CB 3.88Å; L127-C153 HydrophobicContact CG-CB 3.99Å; L127-L154 HydrophobicContact CD1-CD2 4.07Å; L127-L157 HydrophobicContact CD1-CD1 3.61Å
128Y93.8Very high93.6Very high113 Ų11350.9 Ų50.944%0.44325%0.252SS..Hα-helixtrans-59.6-39.4176.4-64.2-35.1000112.7Q124 E125 D131 R132Q124-Y128 HydrophobicContact CG-CD2 4.49Å; Q124-Y128 HydrophobicContact CG-CE2 3.76Å; Q124-Y128 PolarHBondContact NE2-OH 2.88Å; Q124-Y128 PolarHBondContact O-N 2.88Å; Q124-Y128 VanDerWaalsContact O-N 3.12Å; E125-Y128 PolarHBondContact O-N 3.49Å; Y128-D131 PolarHBondContact O-N 3.17Å; Y128-R132 VanDerWaalsContact O-CG 3.24Å; Y128-R132 WeakPolarHBondContact O-CG 3.46Å; Y128-R132 PolarHBondContact O-N 3.21Å
129D96Very high93.4Very high1 Ų149.1 Ų49.11%0.00525%0.247CC..Hα-helixtrans-73.1-31.3177.4-88.13.7000113.1Y110 R113 E125 C126 L127 R132 A133Y110-D129 HydrophobicContact CD1-CB 4.48Å; Y110-D129 WeakPolarHBondContact CD1-OD1 3.33Å; R113-D129 IonicContact CZ-OD1 2.88Å; R113-D129 IonicContact CZ-OD2 3.74Å; R113-D129 VanDerWaalsContact CZ-OD2 3.3Å; R113-D129 IonicContact NE-OD1 3.71Å; R113-D129 IonicContact NE-OD2 3.22Å; R113-D129 PolarHBondContact NE-OD2 3.43Å; R113-D129 VanDerWaalsContact NH2-CG 3.34Å; R113-D129 IonicContact NH2-OD1 3.01Å; R113-D129 PolarHBondContact NH2-OD1 3.16Å; R113-D129 IonicContact NH2-OD2 2.77Å; R113-D129 PolarHBondContact NH2-OD2 2.79Å; R113-D129 VanDerWaalsContact NH2-OD2 3.1Å; E125-D129 PolarHBondContact O-N 3.45Å; C126-D129 PolarHBondContact O-N 2.97Å; L127-D129 VanDerWaalsContact C-N 3.29Å; L127-D129 PolarHBondContact O-N 3.17Å; D129-R132 PolarHBondContact O-N 3.15Å; D129-R132 IonicContact OD1-NH1 3.49Å; D129-R132 PolarHBondContact OD1-NH1 2.55Å; D129-A133 WeakPolarHBondContact O-CB 3.26Å; D129-A133 PolarHBondContact O-N 3.33Å
130I97.1Very high93.2Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-60.7-49.4169.8-72.8163000109.8C126 L127 R132 A133 L134 L146 R149 R150C126-I130 VanDerWaalsContact O-CG1 3.31Å; C126-I130 WeakPolarHBondContact O-CG1 3.39Å; C126-I130 PolarHBondContact O-N 3.09Å; L127-I130 HydrophobicContact CD2-CD1 4.49Å; L127-I130 WeakPolarHBondContact O-CB 3.5Å; L127-I130 PolarHBondContact O-N 3.32Å; L127-I130 VanDerWaalsContact O-N 3.17Å; I130-R132 VanDerWaalsContact C-N 3.35Å; I130-R132 PolarHBondContact O-N 2.97Å; I130-A133 PolarHBondContact O-N 2.71Å; I130-L134 HydrophobicContact CG2-CD1 4.1Å; I130-L134 WeakPolarHBondContact O-CG 3.1Å; I130-L134 PolarHBondContact O-N 3.16Å; I130-L134 VanDerWaalsContact O-N 3.09Å; I130-L146 HydrophobicContact CG1-CB 4.5Å; I130-L146 HydrophobicContact CG1-CD2 4.3Å; I130-L146 HydrophobicContact CG2-CB 4.06Å; I130-R149 HydrophobicContact CD1-CB 4.23Å; I130-R149 HydrophobicContact CD1-CG 4.25Å; I130-R150 HydrophobicContact CD1-CB 4.14Å
131D94.7Very high93.2Very high43 Ų4353.2 Ų53.223%0.2328%0.278CS..Hα-helixtrans-62-43179.4-69.2-30.1000111.4L127 Y128 L134 N135 R150L127-D131 PolarHBondContact O-N 3.01Å; Y128-D131 PolarHBondContact O-N 3.17Å; D131-L134 PolarHBondContact O-N 3.05Å; D131-N135 WeakPolarHBondContact O-CB 3.31Å; D131-N135 PolarHBondContact O-N 3.34Å; D131-N135 PolarHBondContact O-ND2 2.84Å; D131-N135 VanDerWaalsContact O-ND2 3.16Å; D131-R150 IonicContact OD1-CZ 3.27Å; D131-R150 IonicContact OD1-NH1 3.53Å; D131-R150 PolarHBondContact OD1-NH1 3.36Å; D131-R150 IonicContact OD1-NH2 3.64Å; D131-R150 PolarHBondContact OD1-NH2 3.09Å; D131-R150 IonicContact OD2-NH2 2.74Å
132R94Very high93.1Very high68 Ų6848.3 Ų48.326%0.25726%0.257SS..Hα-helixtrans-60.6-45.6174.9-72.9170.2-174.5171.5-2.3112.1Y110 Y128 D129 I130 L134 N135 T136Y110-R132 HydrophobicContact CD1-CB 4.05Å; Y110-R132 HydrophobicContact CD2-CB 3.92Å; Y110-R132 HydrophobicContact CE1-CB 4.18Å; Y110-R132 HydrophobicContact CE1-CG 4.49Å; Y110-R132 HydrophobicContact CE2-CB 4.04Å; Y110-R132 HydrophobicContact CG-CB 3.94Å; Y128-R132 VanDerWaalsContact O-CG 3.24Å; Y128-R132 WeakPolarHBondContact O-CG 3.46Å; Y128-R132 PolarHBondContact O-N 3.21Å; D129-R132 PolarHBondContact O-N 3.15Å; D129-R132 IonicContact OD1-NH1 3.49Å; D129-R132 PolarHBondContact OD1-NH1 2.55Å; I130-R132 VanDerWaalsContact C-N 3.35Å; I130-R132 PolarHBondContact O-N 2.97Å; R132-L134 PolarHBondContact O-N 3.33Å; R132-N135 PolarHBondContact O-N 3.49Å; R132-T136 WeakPolarHBondContact O-CG2 3.39Å; R132-T136 PolarHBondContact O-N 2.93Å; R132-T136 PolarHBondContact O-OG1 2.84Å
133A95.4Very high93.1Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-57.4-50.4178.600000110.9S107 A111 D129 I130 N135 T136 G137 Y138 L146S107-A133 WeakPolarHBondContact CB-O 3.5Å; A111-A133 HydrophobicContact CB-CB 4.17Å; D129-A133 WeakPolarHBondContact O-CB 3.26Å; D129-A133 PolarHBondContact O-N 3.33Å; I130-A133 PolarHBondContact O-N 2.71Å; A133-N135 PolarHBondContact O-N 3.24Å; A133-T136 PolarHBondContact O-N 3.12Å; A133-T136 PolarHBondContact O-OG1 3.12Å; A133-T136 VanDerWaalsContact O-OG1 3.06Å; A133-G137 PolarHBondContact O-N 3.11Å; A133-Y138 HydrophobicContact CB-CD2 4.49Å; A133-Y138 WeakPolarHBondContact O-CB 3.34Å; A133-Y138 PolarHBondContact O-N 3.42Å; A133-L146 HydrophobicContact CB-CD1 3.9Å
134L93.4Very high93Very high53 Ų5350.1 Ų50.128%0.27727%0.271SS..Hα-helixtrans-60.8-44.9179-65172.8000112I130 D131 R132 T136 G137 L146I130-L134 HydrophobicContact CG2-CD1 4.1Å; I130-L134 WeakPolarHBondContact O-CG 3.1Å; I130-L134 PolarHBondContact O-N 3.16Å; I130-L134 VanDerWaalsContact O-N 3.09Å; D131-L134 PolarHBondContact O-N 3.05Å; R132-L134 PolarHBondContact O-N 3.33Å; L134-T136 PolarHBondContact O-N 2.96Å; L134-G137 PolarHBondContact O-N 3.21Å; L134-L146 HydrophobicContact CD2-CD1 3.97Å; L134-L146 HydrophobicContact CG-CD1 4.16Å
135N91.5Very high93.2Very high142 Ų14253.3 Ų53.376%0.75928%0.284SS*.Hα-helixtrans-67.6-20.4179.8-70.5-23.5000113.9D131 R132 A133D131-N135 WeakPolarHBondContact O-CB 3.31Å; D131-N135 PolarHBondContact O-N 3.34Å; D131-N135 PolarHBondContact O-ND2 2.84Å; D131-N135 VanDerWaalsContact O-ND2 3.16Å; R132-N135 PolarHBondContact O-N 3.49Å; A133-N135 PolarHBondContact O-N 3.24Å
136T90.1Very high93.4Very high38 Ų3850.9 Ų50.923%0.23327%0.273CS..THydrogen-bonded Turntrans-98.615.4177.358.10000113.9L106 S107 R132 A133 L134L106-T136 HydrophobicContact CD2-CG2 3.87Å; L106-T136 HydrophobicContact CG-CG2 4.28Å; S107-T136 WeakPolarHBondContact CA-OG1 3.47Å; S107-T136 VanDerWaalsContact CB-OG1 3.24Å; S107-T136 WeakPolarHBondContact CB-OG1 3.46Å; R132-T136 WeakPolarHBondContact O-CG2 3.39Å; R132-T136 PolarHBondContact O-N 2.93Å; R132-T136 PolarHBondContact O-OG1 2.84Å; A133-T136 PolarHBondContact O-N 3.12Å; A133-T136 PolarHBondContact O-OG1 3.12Å; A133-T136 VanDerWaalsContact O-OG1 3.06Å; L134-T136 PolarHBondContact O-N 2.96Å
137G88.9Confident93.3Very high54 Ų5454.7 Ų54.756%0.55729%0.291SS*.THydrogen-bonded Turntrans83.642.8173.800000114.2A133 L134A133-G137 PolarHBondContact O-N 3.11Å; L134-G137 PolarHBondContact O-N 3.21Å
138Y92.3Very high93.3Very high29 Ų2959.3 Ų59.311%0.11432%0.316CS..  trans-59.3141.3172-170-110000111.8L108 A111 A133 A140 L142 L146L108-Y138 HydrophobicContact CD2-CD2 4.31Å; L108-Y138 HydrophobicContact CD2-CE2 3.85Å; A111-Y138 HydrophobicContact CB-CD2 3.72Å; A111-Y138 HydrophobicContact CB-CE2 3.18Å; A133-Y138 HydrophobicContact CB-CD2 4.49Å; A133-Y138 WeakPolarHBondContact O-CB 3.34Å; A133-Y138 PolarHBondContact O-N 3.42Å; Y138-A140 PolarHBondContact O-N 3.3Å; Y138-L142 HydrophobicContact CD1-CB 4.44Å; Y138-L142 HydrophobicContact CE1-CB 3.53Å; Y138-L146 HydrophobicContact CD1-CD1 3.5Å; Y138-L146 HydrophobicContact CD1-CG 4.14Å; Y138-L146 HydrophobicContact CD2-CD1 4.42Å; Y138-L146 HydrophobicContact CE1-CD1 3.67Å; Y138-L146 HydrophobicContact CE1-CG 3.8Å; Y138-L146 HydrophobicContact CG-CD1 3.9Å
139P92.8Very high93.4Very high15 Ų1556.1 Ų56.110%0.09730%0.303CS..  trans-58.7123.6-175.2-27.636.9000113.3E104 L108 H141 L142 S143E104-P139 WeakPolarHBondContact OE1-CG 3.36Å; L108-P139 HydrophobicContact CD2-CG 4.44Å; P139-H141 VanDerWaalsContact C-N 3.25Å; P139-H141 VanDerWaalsContact CB-CE1 3.49Å; P139-H141 WeakPolarHBondContact CB-CE1 3.33Å; P139-H141 PolarHBondContact O-N 3.22Å; P139-H141 VanDerWaalsContact O-N 3.16Å; P139-L142 HydrophobicContact CB-CB 4.49Å; P139-L142 HydrophobicContact CB-CD1 4.21Å; P139-L142 HydrophobicContact CB-CG 4.31Å; P139-L142 HydrophobicContact CG-CD1 4.34Å; P139-L142 PolarHBondContact O-N 3.17Å; P139-S143 PolarHBondContact O-N 3Å
140A90.3Very high93.4Very high80 Ų8058.5 Ų58.566%0.66131%0.311SS*.G310 helixtrans-56.1-37.8-174.200000113.2Y138 L142 S143Y138-A140 PolarHBondContact O-N 3.3Å; A140-L142 PolarHBondContact O-N 3.47Å; A140-S143 VanDerWaalsContact O-CB 3.3Å; A140-S143 WeakPolarHBondContact O-CB 3.48Å; A140-S143 PolarHBondContact O-N 3.14Å; A140-S143 VanDerWaalsContact O-N 3.17Å; A140-S143 PolarHBondContact O-OG 2.69Å
141H91.5Very high93.3Very high142 Ų14261.6 Ų61.666%0.65733%0.333SS*.G310 helixtrans-66.8-19.3178.368.8-85000113.7P139 H144P139-H141 VanDerWaalsContact C-N 3.25Å; P139-H141 VanDerWaalsContact CB-CE1 3.49Å; P139-H141 WeakPolarHBondContact CB-CE1 3.33Å; P139-H141 PolarHBondContact O-N 3.22Å; P139-H141 VanDerWaalsContact O-N 3.16Å; H141-H144 PolarHBondContact O-ND1 3.47Å
142L92.1Very high93.3Very high40 Ų4063.2 Ų63.221%0.20934%0.342CS..G310 helixtrans-99.1-7.8176.3-60.3178.8000113.2Y138 P139 A140 H144 K145Y138-L142 HydrophobicContact CD1-CB 4.44Å; Y138-L142 HydrophobicContact CE1-CB 3.53Å; P139-L142 HydrophobicContact CB-CB 4.49Å; P139-L142 HydrophobicContact CB-CD1 4.21Å; P139-L142 HydrophobicContact CB-CG 4.31Å; P139-L142 HydrophobicContact CG-CD1 4.34Å; P139-L142 PolarHBondContact O-N 3.17Å; A140-L142 PolarHBondContact O-N 3.47Å; L142-H144 PolarHBondContact O-N 2.81Å; L142-H144 VanDerWaalsContact O-N 3.12Å; L142-K145 WeakPolarHBondContact O-CB 3.32Å; L142-K145 PolarHBondContact O-N 2.92Å
143S91.4Very high93.3Very high43 Ų4360 Ų6030%0.30133%0.329SS..Hα-helixtrans-55.9-32.1-173.563.30000113.9P139 A140 K145 L146 Q147P139-S143 PolarHBondContact O-N 3Å; A140-S143 VanDerWaalsContact O-CB 3.3Å; A140-S143 WeakPolarHBondContact O-CB 3.48Å; A140-S143 PolarHBondContact O-N 3.14Å; A140-S143 VanDerWaalsContact O-N 3.17Å; A140-S143 PolarHBondContact O-OG 2.69Å; S143-K145 PolarHBondContact O-N 3.16Å; S143-L146 PolarHBondContact O-N 3.4Å; S143-Q147 PolarHBondContact O-N 3.2Å; S143-Q147 VanDerWaalsContact O-N 3.16Å
144H93.2Very high93.1Very high98 Ų9862.1 Ų62.145%0.45434%0.341SS..Hα-helixtrans-53.7-39.1176.371.1-86.9000112.3H141 L142 L146 Q147 D148H141-H144 PolarHBondContact O-ND1 3.47Å; L142-H144 PolarHBondContact O-N 2.81Å; L142-H144 VanDerWaalsContact O-N 3.12Å; H144-L146 VanDerWaalsContact C-N 3.28Å; H144-L146 PolarHBondContact O-N 2.8Å; H144-Q147 PolarHBondContact O-N 2.94Å; H144-Q147 VanDerWaalsContact O-N 3.13Å; H144-D148 VanDerWaalsContact O-CG 3.23Å; H144-D148 PolarHBondContact O-N 3.14Å
145K94.8Very high93Very high108 Ų10865.3 Ų65.347%0.4736%0.358SS..Hα-helixtrans-61.8-35.8179.5-61.4-174.9178.3179.80112.8L142 S143 R149L142-K145 WeakPolarHBondContact O-CB 3.32Å; L142-K145 PolarHBondContact O-N 2.92Å; S143-K145 PolarHBondContact O-N 3.16Å; K145-R149 PolarHBondContact O-N 3.49Å
146L96.1Very high92.9Very high1 Ų163.4 Ų63.41%0.00534%0.344CS..Hα-helixtrans-75.3-37.7177.5-63.9-173.8000111.2A111 I130 A133 L134 Y138 S143 H144 R149 R150A111-L146 HydrophobicContact CB-CD1 4.38Å; A111-L146 HydrophobicContact CB-CD2 3.9Å; I130-L146 HydrophobicContact CG1-CB 4.5Å; I130-L146 HydrophobicContact CG1-CD2 4.3Å; I130-L146 HydrophobicContact CG2-CB 4.06Å; A133-L146 HydrophobicContact CB-CD1 3.9Å; L134-L146 HydrophobicContact CD2-CD1 3.97Å; L134-L146 HydrophobicContact CG-CD1 4.16Å; Y138-L146 HydrophobicContact CD1-CD1 3.5Å; Y138-L146 HydrophobicContact CD1-CG 4.14Å; Y138-L146 HydrophobicContact CD2-CD1 4.42Å; Y138-L146 HydrophobicContact CE1-CD1 3.67Å; Y138-L146 HydrophobicContact CE1-CG 3.8Å; Y138-L146 HydrophobicContact CG-CD1 3.9Å; S143-L146 PolarHBondContact O-N 3.4Å; H144-L146 VanDerWaalsContact C-N 3.28Å; H144-L146 PolarHBondContact O-N 2.8Å; L146-R149 PolarHBondContact O-N 2.87Å; L146-R150 WeakPolarHBondContact O-CB 3.43Å; L146-R150 PolarHBondContact O-N 3.02Å
147Q94.9Very high92.7Very high81 Ų8163 Ų6338%0.37934%0.34SS..Hα-helixtrans-67.9-38.5177.4-63.3-59.8-15.400112.4S143 H144 R150 S151S143-Q147 PolarHBondContact O-N 3.2Å; S143-Q147 VanDerWaalsContact O-N 3.16Å; H144-Q147 PolarHBondContact O-N 2.94Å; H144-Q147 VanDerWaalsContact O-N 3.13Å; Q147-R150 WeakPolarHBondContact O-CB 3.22Å; Q147-R150 PolarHBondContact O-N 3.23Å; Q147-S151 PolarHBondContact O-N 2.8Å; Q147-S151 PolarHBondContact O-OG 2.93Å
148D94.9Very high92.2Very high97 Ų9764.1 Ų64.152%0.51934%0.338SS..Hα-helixtrans-59.7-49.1172.9-66.3-22.9000110.3H144 R150 S151 L152H144-D148 VanDerWaalsContact O-CG 3.23Å; H144-D148 PolarHBondContact O-N 3.14Å; D148-R150 PolarHBondContact O-N 2.85Å; D148-S151 WeakPolarHBondContact O-CB 3.45Å; D148-S151 PolarHBondContact O-N 3.49Å; D148-L152 WeakPolarHBondContact O-CG 3.43Å; D148-L152 PolarHBondContact O-N 2.72Å
149R96.5Very high90.7Very high45 Ų4568 Ų6817%0.1736%0.364CS..Hα-helixtrans-62.6-41176.5-168.7-176.8-56.6144.92.9112.4A111 S114 A115 Y118 C126 I130 K145 L146 S151 L152 C153A111-R149 PolarHBondContact O-NH1 3.15Å; S114-R149 PolarHBondContact OG-NH1 2.91Å; A115-R149 VanDerWaalsContact CB-CZ 3.45Å; A115-R149 VanDerWaalsContact CB-NH2 3.25Å; Y118-R149 HydrophobicContact CD2-CG 4.26Å; Y118-R149 HydrophobicContact CG-CG 4.25Å; C126-R149 VanDerWaalsContact SG-CD 3.5Å; I130-R149 HydrophobicContact CD1-CB 4.23Å; I130-R149 HydrophobicContact CD1-CG 4.25Å; K145-R149 PolarHBondContact O-N 3.49Å; L146-R149 PolarHBondContact O-N 2.87Å; R149-S151 VanDerWaalsContact C-N 3.3Å; R149-S151 PolarHBondContact O-N 3.02Å; R149-L152 WeakPolarHBondContact O-CB 3.43Å; R149-L152 PolarHBondContact O-N 3.12Å; R149-C153 PolarHBondContact O-N 3.46Å; R149-C153 PolarHBondContact O-SG 3.02Å; R149-C153 VanDerWaalsContact O-SG 3.38Å
150R96.4Very high88.9Confident51 Ų5171.5 Ų71.519%0.19239%0.389CS..Hα-helixtrans-55.4-48.3175.5-167-167.5-167.999.55.3110.4L127 I130 D131 L146 Q147 D148 L152 C153 L154L127-R150 HydrophobicContact CD2-CB 4.25Å; L127-R150 HydrophobicContact CD2-CG 3.51Å; I130-R150 HydrophobicContact CD1-CB 4.14Å; D131-R150 IonicContact OD1-CZ 3.27Å; D131-R150 IonicContact OD1-NH1 3.53Å; D131-R150 PolarHBondContact OD1-NH1 3.36Å; D131-R150 IonicContact OD1-NH2 3.64Å; D131-R150 PolarHBondContact OD1-NH2 3.09Å; D131-R150 IonicContact OD2-NH2 2.74Å; L146-R150 WeakPolarHBondContact O-CB 3.43Å; L146-R150 PolarHBondContact O-N 3.02Å; Q147-R150 WeakPolarHBondContact O-CB 3.22Å; Q147-R150 PolarHBondContact O-N 3.23Å; D148-R150 PolarHBondContact O-N 2.85Å; R150-L152 VanDerWaalsContact C-N 3.34Å; R150-L152 PolarHBondContact O-N 3.04Å; R150-C153 PolarHBondContact O-N 3.3Å; R150-L154 HydrophobicContact CG-CD1 4.3Å; R150-L154 WeakPolarHBondContact O-CG 3.28Å; R150-L154 PolarHBondContact O-N 3.5Å
151S94.4Very high87.2Confident65 Ų6570 Ų7046%0.45537%0.371SS..Hα-helixtrans-61-43178.6-560000111.6Q147 D148 R149 L154 N155Q147-S151 PolarHBondContact O-N 2.8Å; Q147-S151 PolarHBondContact O-OG 2.93Å; D148-S151 WeakPolarHBondContact O-CB 3.45Å; D148-S151 PolarHBondContact O-N 3.49Å; R149-S151 VanDerWaalsContact C-N 3.3Å; R149-S151 PolarHBondContact O-N 3.02Å; S151-L154 PolarHBondContact O-N 2.92Å; S151-N155 PolarHBondContact O-N 2.92Å; S151-N155 VanDerWaalsContact O-N 3.16Å; S151-N155 PolarHBondContact O-ND2 3.33Å
152L94.1Very high85.3Confident78 Ų7866.2 Ų66.241%0.40835%0.353SS..Hα-helixtrans-61.8-47.9175.3-66.8170.8000112.1Y118 D148 R149 R150 L154 N155 H156Y118-L152 HydrophobicContact CE2-CB 3.69Å; Y118-L152 HydrophobicContact CE2-CD1 4.49Å; D148-L152 WeakPolarHBondContact O-CG 3.43Å; D148-L152 PolarHBondContact O-N 2.72Å; R149-L152 WeakPolarHBondContact O-CB 3.43Å; R149-L152 PolarHBondContact O-N 3.12Å; R150-L152 VanDerWaalsContact C-N 3.34Å; R150-L152 PolarHBondContact O-N 3.04Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.49Å; L152-N155 WeakPolarHBondContact O-CB 3.19Å; L152-N155 PolarHBondContact O-N 3.11Å; L152-N155 VanDerWaalsContact O-N 3.12Å; L152-H156 PolarHBondContact O-CD2 3.36Å; L152-H156 PolarHBondContact O-N 3.33Å
153C94Very high82.9Confident0 Ų068.1 Ų68.10%037%0.367CS..Hα-helixtrans-58.1-44.6176.6-68.60000112.2Y123 C126 L127 R149 R150 N155 H156 L157Y123-C153 HydrophobicContact CD1-CB 4.34Å; C126-C153 PolarHBondContact SG-SG 3.35Å; L127-C153 HydrophobicContact CD1-CB 4.41Å; L127-C153 HydrophobicContact CD2-CB 3.88Å; L127-C153 HydrophobicContact CG-CB 3.99Å; R149-C153 PolarHBondContact O-N 3.46Å; R149-C153 PolarHBondContact O-SG 3.02Å; R149-C153 VanDerWaalsContact O-SG 3.38Å; R150-C153 PolarHBondContact O-N 3.3Å; C153-N155 PolarHBondContact O-N 3.08Å; C153-H156 PolarHBondContact O-N 3.17Å; C153-L157 PolarHBondContact O-N 3.17Å
154L92.2Very high80.5Confident45 Ų4574 Ų7424%0.23639%0.387CS..Hα-helixtrans-63.4-27.3178.9-71171.6000112.3L127 R150 S151 L152 H156 K162L127-L154 HydrophobicContact CD1-CD2 4.07Å; R150-L154 HydrophobicContact CG-CD1 4.3Å; R150-L154 WeakPolarHBondContact O-CG 3.28Å; R150-L154 PolarHBondContact O-N 3.5Å; S151-L154 PolarHBondContact O-N 2.92Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.49Å; L154-H156 VanDerWaalsContact C-N 3.29Å; L154-H156 PolarHBondContact O-N 3.23Å; L154-K162 WeakPolarHBondContact O-CE 3.24Å; L154-K162 PolarHBondContact O-NZ 3.15Å
155N91.2Very high78Confident119 Ų11970.8 Ų70.864%0.63637%0.373SS*.Hα-helixtrans-69.4-27.6174.2-69.9-23.1000112.9S151 L152 C153S151-N155 PolarHBondContact O-N 2.92Å; S151-N155 VanDerWaalsContact O-N 3.16Å; S151-N155 PolarHBondContact O-ND2 3.33Å; L152-N155 WeakPolarHBondContact O-CB 3.19Å; L152-N155 PolarHBondContact O-N 3.11Å; L152-N155 VanDerWaalsContact O-N 3.12Å; C153-N155 PolarHBondContact O-N 3.08Å
156H87.8Confident75.2Confident103 Ų10371.8 Ų71.848%0.47738%0.383SS..Hα-helixtrans-87.8-16.6179-69.8-74.6000114.1Y123 L152 C153 L154Y123-H156 HydrophobicContact CD1-CB 4.18Å; Y123-H156 HydrophobicContact CD2-CB 3.69Å; Y123-H156 HydrophobicContact CE1-CB 4.01Å; Y123-H156 AromaticContact CE1-CD2 3.61Å; Y123-H156 AromaticContact CE1-CG 3.84Å; Y123-H156 HydrophobicContact CE2-CB 3.5Å; Y123-H156 VanDerWaalsContact CE2-CB 3.5Å; Y123-H156 AromaticContact CE2-CG 3.85Å; Y123-H156 HydrophobicContact CG-CB 4.03Å; Y123-H156 AromaticContact CZ-CD2 3.68Å; Y123-H156 AromaticContact CZ-CG 3.5Å; Y123-H156 VanDerWaalsContact CZ-CG 3.5Å; Y123-H156 AromaticContact CZ-ND1 3.95Å; L152-H156 PolarHBondContact O-CD2 3.36Å; L152-H156 PolarHBondContact O-N 3.33Å; C153-H156 PolarHBondContact O-N 3.17Å; L154-H156 VanDerWaalsContact C-N 3.29Å; L154-H156 PolarHBondContact O-N 3.23Å
157L85.9Confident72.3Confident28 Ų2878.7 Ų78.715%0.14742%0.416CS..SBendtrans-88.1145.2-179.6-70.1173.4000112.8L127 C153 V161 K162L127-L157 HydrophobicContact CD1-CD1 3.61Å; C153-L157 PolarHBondContact O-N 3.17Å; L157-V161 HydrophobicContact CD1-CG1 4.35Å; L157-K162 WeakPolarHBondContact O-CE 3.31Å
158P78.6Confident69.5Low78 Ų7881.4 Ų81.451%0.50643%0.432SS..  trans-59.6149.2174.4-18.429.6000112.1S160 V161P158-S160 PolarHBondContact O-N 3.26Å; P158-V161 PolarHBondContact O-N 2.83Å
159V62Low66.6Low111 Ų11184.8 Ų84.867%0.67344%0.444SS*.Hα-helixtrans-56.3-28-177.3-1790000113.2V161 K162 T163V159-V161 VanDerWaalsContact C-N 3.3Å; V159-V161 PolarHBondContact O-N 3.08Å; V159-K162 PolarHBondContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 3.13Å
160S54.5Low63.3Low88 Ų8890.7 Ų90.762%0.61547%0.473SS*.Hα-helixtrans-68.2-22.1178.459.80000114.8P158P158-S160 PolarHBondContact O-N 3.26Å
161V54.5Low59.9Low48 Ų4894.8 Ų94.829%0.29150%0.504SS..Hα-helixtrans-89.7-27.5176.8-176.60000110.9L157 P158 V159 T163 K164L157-V161 HydrophobicContact CD1-CG1 4.35Å; P158-V161 PolarHBondContact O-N 2.83Å; V159-V161 VanDerWaalsContact C-N 3.3Å; V159-V161 PolarHBondContact O-N 3.08Å; V161-T163 VanDerWaalsContact C-N 3.31Å; V161-T163 PolarHBondContact O-N 2.8Å; V161-K164 PolarHBondContact O-N 3.47Å
162K50.7Low56.6Low63 Ų6396.7 Ų96.727%0.27452%0.517SS..Hα-helixtrans-60.6-38.6179.1-58.5-175-169.5-160.70112.3L154 L157 V159 K164L154-K162 WeakPolarHBondContact O-CE 3.24Å; L154-K162 PolarHBondContact O-NZ 3.15Å; L157-K162 WeakPolarHBondContact O-CE 3.31Å; V159-K162 PolarHBondContact O-N 3.15Å; K162-K164 PolarHBondContact O-N 3.46Å
163T41.8Very low53.6Low80 Ų8099.7 Ų99.749%0.49153%0.534SS..Hα-helixtrans-75.1-21.6-174.88.10000114.6V159 V161V159-T163 PolarHBondContact O-OG1 3.13Å; V161-T163 VanDerWaalsContact C-N 3.31Å; V161-T163 PolarHBondContact O-N 2.8Å
164K42.4Very low50.3Low166 Ų166107 Ų10772%0.72257%0.573SS**Hα-helixtrans-77.8-29176.6-78.9-173.7176.2-177.60113.1V161 K162V161-K164 PolarHBondContact O-N 3.47Å; K162-K164 PolarHBondContact O-N 3.46Å
165N39.7Very low47.3Very low32 Ų32110.8 Ų110.817%0.17159%0.593CS.*Hα-helixtrans-78.5-26.1179.5-95.65.1000113.3
166D36.2Very low44.4Very low128 Ų128113.7 Ų113.768%0.68460%0.6SS**THydrogen-bonded Turntrans-81.1-14.9179-69.9-20.4000113.3
167Q34.8Very low41.4Very low147 Ų147114.7 Ų114.769%0.68762%0.617SS**THydrogen-bonded Turntrans-91.9-2.8-177.5-72.9-176.9-1.900115H169Q167-H169 PolarHBondContact O-N 3.13Å
168L36.4Very low38.8Very low138 Ų138118.8 Ų118.872%0.72365%0.649SS**THydrogen-bonded Turntrans-726.7176.3-86.4155.3000114.4
169H33.6Very low36.3Very low167 Ų167124.5 Ų124.577%0.77367%0.665SS**THydrogen-bonded Turntrans-109.36.2-178.9-78.8-64.4000116Q167Q167-H169 PolarHBondContact O-N 3.13Å
170H27.8Very low34.7Very low169 Ų169124.3 Ų124.378%0.78267%0.669SS**  trans-147.3104.7171.3-107-74.7000112.2
171V26.2Very low33.2Very low137 Ų137127.8 Ų127.883%0.8368%0.68SS**  trans-88.7117.7164.6179.30000107.9
172S24.8Very low31.8Very low105 Ų105131.8 Ų131.873%0.73470%0.704SS**  trans-144.6128.8156.1-66.40000107.7
173N31.3Very low30.6Very low141 Ų141136.1 Ų136.175%0.75473%0.729SS**  trans-60.5128.5177.2-70.7-20.5000110.2
174D24.3Very low29.7Very low155 Ų155137.2 Ų137.283%0.82974%0.74SS**  171.7139.8119.4-87.6-21.1000113.6
175D29.2Very low29.2Very low124 Ų124135.1 Ų135.166%0.66375%0.746SS**  trans68.5118.6148.6-101.4-9.3000124.3
176K30Very low28.9Very low180 Ų180138.9 Ų138.978%0.78378%0.775SS**  trans38.2123130.9-68.9170.6-165.7132.10120.4
177C24.3Very low28.8Very low123 Ų123141.3 Ų141.383%0.83178%0.782SS**  -167.9120115.6-161.60000112.3
178S32.3Very low29Very low115 Ų115138.3 Ų138.380%0.80478%0.783SS**  trans-74.9130.1169.6-44.10000111.3
179K26.6Very low29.5Very low197 Ų197139.6 Ų139.686%0.85778%0.783SS**  trans-142.9109.4146.2-82.9-170.3179.8168.70110.5L181K179-L181 PolarHBondContact O-N 2.87Å
180S26.5Very low30.9Very low107 Ų107141.2 Ų141.275%0.74878%0.782SS**  trans-54.3123.6168.2174.10000110.6
181L23.8Very low33.3Very low162 Ų162137.1 Ų137.185%0.84876%0.762SS**  trans-110.4103.8159.4-89160.2000106.6K179 I183K179-L181 PolarHBondContact O-N 2.87Å; L181-I183 PolarHBondContact O-N 3.19Å
182T25.9Very low36Very low131 Ų131131.9 Ų131.980%0.80474%0.736SS**  trans-66.899.1177.8-27.20000108.2
183I25.3Very low38.9Very low155 Ų155129.4 Ų129.480%0.79571%0.714SS**  trans-83.4122.1165.9-64.2175.1000106.4L181 S185L181-I183 PolarHBondContact O-N 3.19Å; I183-S185 PolarHBondContact O-N 2.88Å
184S23.3Very low41.6Very low102 Ų102123.6 Ų123.671%0.71368%0.684SS**  trans-51.9132178.856.50000111.2S186S184-S186 PolarHBondContact O-N 3.37Å
185S30.8Very low44.5Very low123 Ų123121.9 Ų121.986%0.8668%0.681SS**  trans-48.895.8174.754.70000112.4I183I183-S185 PolarHBondContact O-N 2.88Å
186S32.8Very low47.4Very low111 Ų111117.9 Ų117.978%0.77666%0.659SS**  trans-81132.6158.8164.10000107.2S184 A188S184-S186 PolarHBondContact O-N 3.37Å; S186-A188 PolarHBondContact O-N 2.98Å; S186-A188 VanDerWaalsContact O-N 3.09Å
187E36Very low50.2Low178 Ų178109.9 Ų109.983%0.83263%0.625SS**  trans-27.3105.6-177.2-70.1169.7141.800114F189E187-F189 PolarHBondContact O-N 3.3Å; E187-F189 VanDerWaalsContact O-N 3.12Å
188A37.6Very low53.3Low84 Ų84106 Ų10669%0.69460%0.599SS**  trans-58.8119.3168.800000108.3S186 R190S186-A188 PolarHBondContact O-N 2.98Å; S186-A188 VanDerWaalsContact O-N 3.09Å; A188-R190 PolarHBondContact O-N 3.24Å
189F47.9Very low55.9Low165 Ų165104.2 Ų104.272%0.72458%0.583SS**  trans-56.798.2174.9-84.7-92.8000109.5E187 F191E187-F189 PolarHBondContact O-N 3.3Å; E187-F189 VanDerWaalsContact O-N 3.12Å; F189-F191 HydrophobicContact CB-CE2 4.39Å; F189-F191 HydrophobicContact CB-CZ 4.49Å; F189-F191 PolarHBondContact O-N 2.92Å
190R62.3Low58.5Low202 Ų20295.7 Ų95.776%0.76255%0.552SS**  trans-78114.8173.7-73.4-173.7175.4-179.1-0.7108.9A188A188-R190 PolarHBondContact O-N 3.24Å
191F77.9Confident61.1Low83 Ų8395.3 Ų95.336%0.36455%0.547SS..  trans-79.1143.1166.4-64.1-78.1000109.5F189 S223 R225 T516F189-F191 HydrophobicContact CB-CE2 4.39Å; F189-F191 HydrophobicContact CB-CZ 4.49Å; F189-F191 PolarHBondContact O-N 2.92Å; F191-S223 CarbonylContact C-O 3.53Å; F191-S223 WeakPolarHBondContact CA-O 3.39Å; F191-R225 HydrophobicContact CD1-CG 3.71Å; F191-R225 HydrophobicContact CE1-CG 3.64Å; F191-R225 HydrophobicContact CG-CG 4.31Å; F191-R225 HydrophobicContact CZ-CG 4.22Å; F191-T516 HydrophobicContact CE1-CG2 3.63Å; F191-T516 HydrophobicContact CZ-CG2 3.94Å
192G82.9Confident63.9Low27 Ų2789.3 Ų89.328%0.27852%0.519SS..EExtended strand (participates in β ladder)trans124.9-170.9-176.100000112.8L222 S223G192-L222 VanDerWaalsContact O-CA 3.31Å; G192-L222 WeakPolarHBondContact O-CA 3.47Å; G192-S223 PolarHBondContact N-O 3.07Å; G192-S223 PolarHBondContact O-N 3.42Å
193I86.4Confident66.3Low52 Ų5292.9 Ų92.927%0.26752%0.524SS..EExtended strand (participates in β ladder)trans-85138.6179.2-57.2167.2000108.3V197 V199 L209 T468I193-V197 HydrophobicContact CG2-CB 3.47Å; I193-V197 VanDerWaalsContact CG2-CB 3.47Å; I193-V197 HydrophobicContact CG2-CG1 3.53Å; I193-V197 WeakPolarHBondContact CG2-O 3.3Å; I193-V199 HydrophobicContact CD1-CG2 3.7Å; I193-L209 HydrophobicContact CD1-CD1 4.36Å; I193-L209 HydrophobicContact CD1-CD2 3.65Å; I193-L209 HydrophobicContact CG1-CD1 4.41Å; I193-T468 HydrophobicContact CD1-CG2 3.79Å; I193-T468 HydrophobicContact CG1-CG2 3.45Å; I193-T468 VanDerWaalsContact CG1-CG2 3.45Å
194C87.3Confident68.8Low20 Ų2093.2 Ų93.214%0.13552%0.522CS..  trans-63.9152.1175.775.60000110.7Q196 V197 I221C194-Q196 PolarHBondContact O-N 3.47Å; C194-V197 PolarHBondContact O-N 3.03Å; C194-I221 WeakPolarHBondContact CB-O 3.4Å; C194-I221 PolarHBondContact N-O 2.92Å; C194-I221 PolarHBondContact SG-O 3.44Å; C194-I221 VanDerWaalsContact SG-O 3.34Å
195P86.3Confident71.4Confident119 Ų11993.3 Ų93.377%0.77351%0.51SS*.THydrogen-bonded Turntrans-59.7-16.3-177.6-24.534.5000114.9V197P195-V197 PolarHBondContact O-N 2.97Å
196Q89.1Confident73.8Confident40 Ų4088.5 Ų88.519%0.18748%0.479CS..THydrogen-bonded Turntrans-80.3-4.9179.4-60.1167.6-88.600112.8C194 L212 Q213 R214 I215 E219C194-Q196 PolarHBondContact O-N 3.47Å; Q196-L212 WeakPolarHBondContact O-CB 3.23Å; Q196-L212 PolarHBondContact O-N 3.16Å; Q196-Q213 HydrophobicContact CB-CG 3.92Å; Q196-Q213 HydrophobicContact CG-CG 3.78Å; Q196-R214 PolarHBondContact NE2-O 3.39Å; Q196-R214 VanDerWaalsContact NE2-O 3.17Å; Q196-I215 HydrophobicContact CB-CD1 4.37Å; Q196-I215 HydrophobicContact CB-CG1 4.09Å; Q196-E219 PolarHBondContact NE2-OE2 2.89Å
197V89.9Confident76.2Confident11 Ų1186.4 Ų86.47%0.06746%0.464CS..EExtended strand (participates in β ladder)trans-127139.5-175.9174.50000110.1I193 C194 P195 L209 V210 I215 I221 I531I193-V197 HydrophobicContact CG2-CB 3.47Å; I193-V197 VanDerWaalsContact CG2-CB 3.47Å; I193-V197 HydrophobicContact CG2-CG1 3.53Å; I193-V197 WeakPolarHBondContact CG2-O 3.3Å; C194-V197 PolarHBondContact O-N 3.03Å; P195-V197 PolarHBondContact O-N 2.97Å; V197-L209 HydrophobicContact CG1-CB 3.78Å; V197-L209 HydrophobicContact CG1-CD1 4.18Å; V197-L209 HydrophobicContact CG1-CD2 4.39Å; V197-L209 HydrophobicContact CG1-CG 4.34Å; V197-V210 WeakPolarHBondContact CA-O 3.23Å; V197-I215 HydrophobicContact CG2-CD1 3.43Å; V197-I215 VanDerWaalsContact CG2-CD1 3.43Å; V197-I221 HydrophobicContact CG2-CG2 3.9Å; V197-I531 HydrophobicContact CG1-CG1 4.03Å; V197-I531 HydrophobicContact CG2-CD1 4.17Å; V197-I531 HydrophobicContact CG2-CG1 4.11Å
198S88.7Confident78.7Confident41 Ų4179 Ų7929%0.28743%0.429SS..EExtended strand (participates in β ladder)trans-121.7155.9176.265.10000111.6L209 V210 L212S198-L209 WeakPolarHBondContact O-CA 3.48Å; S198-V210 PolarHBondContact N-O 2.83Å; S198-V210 PolarHBondContact O-N 2.68Å; S198-L212 WeakPolarHBondContact OG-CD2 3.45Å
199V86.8Confident81.2Confident78 Ų7875 Ų7547%0.47340%0.396SS..EExtended strand (participates in β ladder)trans-82115.3168.8-174.70000108.8I193 C207 H208 L209 L471I193-V199 HydrophobicContact CD1-CG2 3.7Å; V199-C207 HydrophobicContact CG1-CB 4.42Å; V199-H208 CarbonylContact C-O 3.53Å; V199-H208 WeakPolarHBondContact CA-O 3.22Å; V199-L209 HydrophobicContact CB-CD2 4.41Å; V199-L209 HydrophobicContact CG2-CD2 3.75Å; V199-L471 HydrophobicContact CG1-CD1 4.43Å; V199-L471 HydrophobicContact CG2-CD1 4.09Å
200G81.7Confident83.4Confident19 Ų1968.5 Ų68.520%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-93.8162.7166.700000111.4C207 H208G200-C207 CarbonylContact O-C 3.53Å; G200-C207 VanDerWaalsContact O-CA 3.31Å; G200-C207 WeakPolarHBondContact O-CA 3.22Å; G200-H208 PolarHBondContact N-O 3.06Å; G200-H208 PolarHBondContact O-N 3.4Å
201C80.3Confident85Confident98 Ų9858.9 Ų58.966%0.66233%0.334SS*.EExtended strand (participates in β ladder)trans-141.6131.1171.5-172.50000110G206C201-G206 WeakPolarHBondContact CA-O 3.27Å
202S81.9Confident85.8Confident37 Ų3760 Ų6026%0.25934%0.343SS..EExtended strand (participates in β ladder)trans-136.8164171.794.30000110.7E204 K205 G206S202-E204 VanDerWaalsContact C-N 3.29Å; S202-E204 WeakPolarHBondContact CB-OE2 3.46Å; S202-E204 PolarHBondContact O-N 2.89Å; S202-E204 PolarHBondContact OG-N 2.9Å; S202-E204 PolarHBondContact OG-OE2 2.97Å; S202-K205 PolarHBondContact OG-N 3.01Å; S202-K205 VanDerWaalsContact OG-N 3.11Å; S202-G206 PolarHBondContact N-O 3.21Å; S202-G206 VanDerWaalsContact N-O 3.12Å; S202-G206 VanDerWaalsContact O-CA 3.27Å; S202-G206 WeakPolarHBondContact O-CA 3.43Å; S202-G206 PolarHBondContact O-N 3.31Å
203K76.8Confident86.4Confident205 Ų20564.1 Ų64.189%0.89136%0.355SS*.THydrogen-bonded Turntrans-66.2-34.8177.9-72.1-173.1177.7-176.50112
204E79.1Confident86.8Confident163 Ų16368.7 Ų68.776%0.76237%0.369SS*.THydrogen-bonded Turntrans-80.6-37.6-175.9-50.975.9-161.100112.1S202S202-E204 VanDerWaalsContact C-N 3.29Å; S202-E204 WeakPolarHBondContact CB-OE2 3.46Å; S202-E204 PolarHBondContact O-N 2.89Å; S202-E204 PolarHBondContact OG-N 2.9Å; S202-E204 PolarHBondContact OG-OE2 2.97Å
205K76.2Confident87.3Confident104 Ų10467.7 Ų67.745%0.45236%0.362SS..THydrogen-bonded Turntrans-107.4-7.8-171.2-63.8-173.5177.7-172.20114.3S202 N473 E530S202-K205 PolarHBondContact OG-N 3.01Å; S202-K205 VanDerWaalsContact OG-N 3.11Å; K205-N473 PolarHBondContact O-ND2 3.3Å; K205-N473 VanDerWaalsContact O-ND2 3.12Å; K205-E530 WeakPolarHBondContact CD-OE2 3.5Å; K205-E530 WeakPolarHBondContact CE-OE2 3.45Å; K205-E530 IonicContact NZ-OE2 2.68Å; K205-E530 PolarHBondContact NZ-OE2 3.15Å
206G81.3Confident87.7Confident22 Ų2265.1 Ų65.123%0.22735%0.345CS..EExtended strand (participates in β ladder)trans59.4-154.1-168.500000111.9C201 S202 H208C201-G206 WeakPolarHBondContact CA-O 3.27Å; S202-G206 PolarHBondContact N-O 3.21Å; S202-G206 VanDerWaalsContact N-O 3.12Å; S202-G206 VanDerWaalsContact O-CA 3.27Å; S202-G206 WeakPolarHBondContact O-CA 3.43Å; S202-G206 PolarHBondContact O-N 3.31Å; G206-H208 PolarHBondContact O-ND1 3.19Å
207C83.7Confident87.9Confident67 Ų6765.3 Ų65.345%0.45335%0.353SS..EExtended strand (participates in β ladder)trans-70.7129.1171.5-65.10000110.3V199 G200 L471V199-C207 HydrophobicContact CG1-CB 4.42Å; G200-C207 CarbonylContact O-C 3.53Å; G200-C207 VanDerWaalsContact O-CA 3.31Å; G200-C207 WeakPolarHBondContact O-CA 3.22Å; C207-L471 HydrophobicContact CB-CD2 3.93Å
208H88.4Confident88Confident21 Ų2165.4 Ų65.410%0.09736%0.356CS..EExtended strand (participates in β ladder)trans-147.4164.9-176.259.1-80000111.3V199 G200 G206 V210 L471 N473 E530V199-H208 CarbonylContact C-O 3.53Å; V199-H208 WeakPolarHBondContact CA-O 3.22Å; G200-H208 PolarHBondContact N-O 3.06Å; G200-H208 PolarHBondContact O-N 3.4Å; G206-H208 PolarHBondContact O-ND1 3.19Å; H208-V210 WeakPolarHBondContact CD2-CG2 3.46Å; H208-L471 WeakPolarHBondContact CA-O 3.44Å; H208-N473 WeakPolarHBondContact CB-ND2 3.41Å; H208-E530 WeakPolarHBondContact CB-OE1 3.44Å; H208-E530 IonicContact CD2-OE1 3.58Å; H208-E530 IonicContact CG-OE1 3.7Å
209L90.9Very high88.2Confident0 Ų066.5 Ų66.50%036%0.357CS..EExtended strand (participates in β ladder)trans-100.1134.8179-63.5-165.2000111.4I193 V197 S198 V199 L222 L471 L472 E530 I531I193-L209 HydrophobicContact CD1-CD1 4.36Å; I193-L209 HydrophobicContact CD1-CD2 3.65Å; I193-L209 HydrophobicContact CG1-CD1 4.41Å; V197-L209 HydrophobicContact CG1-CB 3.78Å; V197-L209 HydrophobicContact CG1-CD1 4.18Å; V197-L209 HydrophobicContact CG1-CD2 4.39Å; V197-L209 HydrophobicContact CG1-CG 4.34Å; S198-L209 WeakPolarHBondContact O-CA 3.48Å; V199-L209 HydrophobicContact CB-CD2 4.41Å; V199-L209 HydrophobicContact CG2-CD2 3.75Å; L209-L222 HydrophobicContact CD1-CD2 3.6Å; L209-L471 HydrophobicContact CD2-CB 4.17Å; L209-L471 HydrophobicContact CD2-CD1 4.2Å; L209-L471 HydrophobicContact CG-CB 4.19Å; L209-L472 HydrophobicContact CB-CD2 4.27Å; L209-L472 HydrophobicContact CD1-CD2 3.67Å; L209-L472 HydrophobicContact CG-CD2 4.14Å; L209-E530 WeakPolarHBondContact O-CA 3.4Å; L209-E530 WeakPolarHBondContact O-CG 3.37Å; L209-I531 HydrophobicContact CB-CB 3.88Å; L209-I531 HydrophobicContact CB-CG1 3.96Å; L209-I531 PolarHBondContact O-N 2.79Å
210V93.9Very high88.5Confident29 Ų2965.3 Ų65.318%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-130.5135.9-179.1-175.60000110.3V197 S198 H208 L212V197-V210 WeakPolarHBondContact CA-O 3.23Å; S198-V210 PolarHBondContact N-O 2.83Å; S198-V210 PolarHBondContact O-N 2.68Å; H208-V210 WeakPolarHBondContact CD2-CG2 3.46Å; V210-L212 PolarHBondContact O-N 3.28Å
211A96.3Very high89Confident1 Ų164.4 Ų64.41%0.00834%0.34CS..EExtended strand (participates in β ladder)trans-69.3123173.400000110.9I215 I525 N526 G528 E529 I531A211-I215 HydrophobicContact CB-CD1 3.97Å; A211-I215 HydrophobicContact CB-CG1 4.45Å; A211-I525 HydrophobicContact CB-CG2 3.99Å; A211-N526 WeakPolarHBondContact CB-O 3.39Å; A211-G528 PolarHBondContact O-N 3.27Å; A211-E529 PolarHBondContact N-O 2.87Å; A211-I531 HydrophobicContact CB-CD1 4.15Å
212L94.1Very high89.5Confident106 Ų10659.8 Ų59.856%0.55531%0.309SS*.SBendtrans-78.7-30.2173.4-66.3177.9000112.2Q196 S198 V210Q196-L212 WeakPolarHBondContact O-CB 3.23Å; Q196-L212 PolarHBondContact O-N 3.16Å; S198-L212 WeakPolarHBondContact OG-CD2 3.45Å; V210-L212 PolarHBondContact O-N 3.28Å
213Q94.9Very high90Very high113 Ų11358.9 Ų58.953%0.52830%0.303SS..SBendtrans-142.9173.7178.463.2-177.937.200109.8Q196 I215Q196-Q213 HydrophobicContact CB-CG 3.92Å; Q196-Q213 HydrophobicContact CG-CG 3.78Å; Q213-I215 PolarHBondContact O-N 3.04Å
214R96.3Very high90.6Very high148 Ų14849.6 Ų49.656%0.55826%0.263SS*.  trans-58135.7175.7-174.9177.5178.3176.6-0.6110.6Q196 D524 I525Q196-R214 PolarHBondContact NE2-O 3.39Å; Q196-R214 VanDerWaalsContact NE2-O 3.17Å; R214-D524 IonicContact CZ-OD2 2.97Å; R214-D524 IonicContact NE-OD2 2.92Å; R214-D524 IonicContact NH2-OD2 3.49Å; R214-D524 PolarHBondContact NH2-OD2 3.05Å; R214-I525 CarbonylContact C-O 3.57Å; R214-I525 VanDerWaalsContact CA-O 3.27Å; R214-I525 WeakPolarHBondContact CA-O 3.48Å
215I96.2Very high91.1Very high0 Ų045.1 Ų45.10%024%0.239CC..BIsolated β-bridgetrans-116.1126.8172.7-56.1173.5000107Q196 V197 A211 Q213 E219 I221 A521 D524 I525 I531Q196-I215 HydrophobicContact CB-CD1 4.37Å; Q196-I215 HydrophobicContact CB-CG1 4.09Å; V197-I215 HydrophobicContact CG2-CD1 3.43Å; V197-I215 VanDerWaalsContact CG2-CD1 3.43Å; A211-I215 HydrophobicContact CB-CD1 3.97Å; A211-I215 HydrophobicContact CB-CG1 4.45Å; Q213-I215 PolarHBondContact O-N 3.04Å; I215-E219 HydrophobicContact CG2-CB 3.87Å; I215-E219 WeakPolarHBondContact CG2-OE2 3.22Å; I215-I221 HydrophobicContact CD1-CG1 4.37Å; I215-I221 HydrophobicContact CG2-CG1 4.2Å; I215-A521 HydrophobicContact CG2-CB 3.94Å; I215-D524 WeakPolarHBondContact O-CA 3.35Å; I215-I525 HydrophobicContact CB-CB 4.26Å; I215-I525 PolarHBondContact N-O 3.23Å; I215-I525 PolarHBondContact O-N 3.4Å; I215-I531 HydrophobicContact CD1-CD1 4.05Å
216T95.5Very high91.9Very high65 Ų6540.6 Ų40.640%0.39922%0.22SC..  trans-79.6145.5-177.8-43.50000110.3G218 E219T216-G218 PolarHBondContact O-N 2.89Å; T216-E219 VanDerWaalsContact CB-OE1 3.26Å; T216-E219 WeakPolarHBondContact CB-OE1 3.18Å; T216-E219 PolarHBondContact N-OE2 3.22Å; T216-E219 WeakPolarHBondContact O-CB 3.4Å; T216-E219 PolarHBondContact O-N 2.93Å; T216-E219 VanDerWaalsContact O-N 3.07Å; T216-E219 PolarHBondContact OG1-OE1 2.92Å
217A93.7Very high92.5Very high43 Ų4340.4 Ų40.436%0.35521%0.213SC..THydrogen-bonded Turntrans-49127.3170.600000111.6D524 L737A217-D524 PolarHBondContact N-OD1 3.45Å; A217-L737 HydrophobicContact CB-CD1 3.72Å
218G91.4Very high93Very high14 Ų1437.3 Ų37.314%0.14419%0.192CC..THydrogen-bonded Turntrans93.5-12.618000000115T216 R520 A521T216-G218 PolarHBondContact O-N 2.89Å; G218-R520 PolarHBondContact O-NH1 2.88Å; G218-A521 PolarHBondContact N-O 3.42Å
219E92.7Very high93.2Very high63 Ų6337.6 Ų37.629%0.29419%0.192SC..  trans-65.3144.8175.6-73.7177.3-176.900111.4Q196 I215 T216 I221 R520 A521Q196-E219 PolarHBondContact NE2-OE2 2.89Å; I215-E219 HydrophobicContact CG2-CB 3.87Å; I215-E219 WeakPolarHBondContact CG2-OE2 3.22Å; T216-E219 VanDerWaalsContact CB-OE1 3.26Å; T216-E219 WeakPolarHBondContact CB-OE1 3.18Å; T216-E219 PolarHBondContact N-OE2 3.22Å; T216-E219 WeakPolarHBondContact O-CB 3.4Å; T216-E219 PolarHBondContact O-N 2.93Å; T216-E219 VanDerWaalsContact O-N 3.07Å; T216-E219 PolarHBondContact OG1-OE1 2.92Å; E219-I221 PolarHBondContact O-N 3.49Å; E219-R520 VanDerWaalsContact O-CA 3.27Å; E219-R520 WeakPolarHBondContact O-CA 3.47Å; E219-A521 PolarHBondContact O-N 3.45Å
220V92.5Very high93.4Very high53 Ų5337.7 Ų37.732%0.32119%0.193SC..EExtended strand (participates in β ladder)trans-77.6120.5175.5176.30000109.1T518 R520V220-T518 HydrophobicContact CB-CG2 4.49Å; V220-T518 HydrophobicContact CG1-CG2 3.78Å; V220-T518 HydrophobicContact CG2-CG2 3.95Å; V220-R520 HydrophobicContact CG2-CG 4.1Å
221I93.6Very high93.3Very high0 Ų036.7 Ų36.70%019%0.187CC..EExtended strand (participates in β ladder)trans-89.1-45.6179.8-65.2165.2000111C194 V197 I215 E219 T480 V519 A521 I525 I531C194-I221 WeakPolarHBondContact CB-O 3.4Å; C194-I221 PolarHBondContact N-O 2.92Å; C194-I221 PolarHBondContact SG-O 3.44Å; C194-I221 VanDerWaalsContact SG-O 3.34Å; V197-I221 HydrophobicContact CG2-CG2 3.9Å; I215-I221 HydrophobicContact CD1-CG1 4.37Å; I215-I221 HydrophobicContact CG2-CG1 4.2Å; E219-I221 PolarHBondContact O-N 3.49Å; I221-T480 HydrophobicContact CD1-CG2 3.68Å; I221-V519 PolarHBondContact N-O 3.14Å; I221-A521 HydrophobicContact CD1-CB 3.9Å; I221-A521 HydrophobicContact CG1-CB 4.38Å; I221-I525 HydrophobicContact CD1-CD1 3.89Å; I221-I531 HydrophobicContact CD1-CD1 4.48Å; I221-I531 HydrophobicContact CD1-CG2 3.97Å; I221-I531 HydrophobicContact CG2-CG1 4.38Å; I221-I531 HydrophobicContact CG2-CG2 4.01Å
222L90.9Very high92.8Very high1 Ų138 Ų381%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-150.8148.7175.372.791.9000111G192 L209 D224 L469 L472 V519G192-L222 VanDerWaalsContact O-CA 3.31Å; G192-L222 WeakPolarHBondContact O-CA 3.47Å; L209-L222 HydrophobicContact CD1-CD2 3.6Å; L222-D224 HydrophobicContact CD1-CB 3.9Å; L222-L469 HydrophobicContact CD1-CD1 4.42Å; L222-L472 HydrophobicContact CD2-CD1 4.17Å; L222-L472 HydrophobicContact CD2-CD2 4.14Å; L222-L472 HydrophobicContact CD2-CG 4.21Å; L222-V519 HydrophobicContact CD1-CB 4.37Å; L222-V519 HydrophobicContact CD1-CG2 3.66Å; L222-V519 HydrophobicContact CD2-CB 4.41Å; L222-V519 HydrophobicContact CD2-CG2 4.13Å; L222-V519 HydrophobicContact CG-CB 3.85Å; L222-V519 HydrophobicContact CG-CG2 3.65Å; L222-V519 PolarHBondContact N-O 2.61Å; L222-V519 PolarHBondContact O-N 3.04Å
223S90.8Very high92.2Very high18 Ų1834.7 Ų34.713%0.12618%0.178CC..EExtended strand (participates in β ladder)trans-121.7121.2169.2-66.90000108F191 G192 V517F191-S223 CarbonylContact C-O 3.53Å; F191-S223 WeakPolarHBondContact CA-O 3.39Å; G192-S223 PolarHBondContact N-O 3.07Å; G192-S223 PolarHBondContact O-N 3.42Å; S223-V517 CarbonylContact C-O 3.58Å; S223-V517 WeakPolarHBondContact CA-O 3.5Å
224D90.8Very high90.8Very high11 Ų1130.7 Ų30.76%0.05917%0.168CC..EExtended strand (participates in β ladder)trans-123.3157.7-175.7-158.813.6000112L222 F466 T468 L469 V517L222-D224 HydrophobicContact CD1-CB 3.9Å; D224-F466 HydrophobicContact CB-CD1 4.09Å; D224-F466 WeakPolarHBondContact OD2-CB 3.31Å; D224-T468 PolarHBondContact OD1-OG1 3.02Å; D224-T468 WeakPolarHBondContact OD2-CA 3.48Å; D224-T468 VanDerWaalsContact OD2-CB 3.26Å; D224-T468 WeakPolarHBondContact OD2-CB 3.47Å; D224-T468 PolarHBondContact OD2-N 2.87Å; D224-L469 HydrophobicContact CB-CB 4.5Å; D224-L469 PolarHBondContact OD2-N 2.95Å; D224-V517 HydrophobicContact CB-CG1 3.63Å; D224-V517 PolarHBondContact N-O 3.32Å; D224-V517 PolarHBondContact O-N 3.48Å
225R89.9Confident88.7Confident69 Ų6929 Ų2926%0.2617%0.173SC..  trans-119.4140.3170.5-76.5-177.2-178.4-165.41.2108.9F191 F227 P467 W510 T516F191-R225 HydrophobicContact CD1-CG 3.71Å; F191-R225 HydrophobicContact CE1-CG 3.64Å; F191-R225 HydrophobicContact CG-CG 4.31Å; F191-R225 HydrophobicContact CZ-CG 4.22Å; R225-F227 PolarHBondContact O-N 3.45Å; R225-P467 WeakPolarHBondContact O-CD 3.31Å; R225-W510 PolarHBondContact NH2-O 2.67Å; R225-T516 HydrophobicContact CG-CG2 4.08Å
226P92.6Very high86Confident9 Ų936.5 Ų36.56%0.05821%0.208CC..  trans-67.4138.1175.627.3-27.3000109.3S228 W229 A464 M465 F466 V515P226-S228 VanDerWaalsContact C-N 3.3Å; P226-W229 HydrophobicContact CB-CE3 3.79Å; P226-W229 HydrophobicContact CB-CZ3 4.36Å; P226-W229 HydrophobicContact CG-CD2 4.13Å; P226-W229 HydrophobicContact CG-CE3 3.37Å; P226-W229 HydrophobicContact CG-CZ3 3.72Å; P226-W229 WeakPolarHBondContact O-CZ3 3.46Å; P226-A464 HydrophobicContact CB-CB 3.84Å; P226-A464 HydrophobicContact CG-CB 4.48Å; P226-M465 CarbonylContact C-O 3.52Å; P226-M465 VanDerWaalsContact CA-O 3.24Å; P226-M465 WeakPolarHBondContact CA-O 3.48Å; P226-F466 HydrophobicContact CB-CD1 4Å; P226-F466 HydrophobicContact CB-CD2 4.17Å; P226-F466 HydrophobicContact CB-CE1 3.81Å; P226-F466 HydrophobicContact CB-CE2 4Å; P226-F466 HydrophobicContact CB-CG 4.18Å; P226-F466 HydrophobicContact CB-CZ 3.8Å; P226-F466 HydrophobicContact CG-CE1 3.88Å; P226-F466 HydrophobicContact CG-CE2 4.49Å; P226-F466 HydrophobicContact CG-CZ 3.87Å; P226-F466 VanDerWaalsContact N-CE1 3.32Å; P226-V515 WeakPolarHBondContact CD-O 3.46Å; P226-V515 HydrophobicContact CG-CB 4.27Å
227F92.8Very high83.1Confident17 Ų1741 Ų418%0.07522%0.222CC..SBendtrans-61.1-46169.8-176.6-95.1000109.7R225 V319 K322 A323 P347 Y348 V351 M465 P467R225-F227 PolarHBondContact O-N 3.45Å; F227-V319 HydrophobicContact CD1-CB 4.4Å; F227-V319 HydrophobicContact CD1-CG1 3.94Å; F227-V319 HydrophobicContact CD1-CG2 4.23Å; F227-V319 HydrophobicContact CE1-CB 4.39Å; F227-V319 HydrophobicContact CE1-CG1 3.86Å; F227-V319 WeakPolarHBondContact CE1-O 3.38Å; F227-K322 HydrophobicContact CD1-CD 4.25Å; F227-K322 HydrophobicContact CE1-CB 4.12Å; F227-K322 HydrophobicContact CE1-CD 3.96Å; F227-K322 HydrophobicContact CE1-CG 4.06Å; F227-K322 HydrophobicContact CZ-CB 4.39Å; F227-K322 HydrophobicContact CZ-CD 4.15Å; F227-K322 HydrophobicContact CZ-CG 4Å; F227-K322 WeakPolarHBondContact O-CD 3.41Å; F227-K322 WeakPolarHBondContact O-CE 3.4Å; F227-K322 PolarHBondContact O-NZ 2.86Å; F227-A323 HydrophobicContact CE1-CB 4.45Å; F227-A323 HydrophobicContact CZ-CB 4.11Å; F227-P347 HydrophobicContact CD2-CB 4.32Å; F227-P347 HydrophobicContact CD2-CG 4.32Å; F227-P347 HydrophobicContact CE2-CG 4.48Å; F227-Y348 AromaticContact CE1-CD2 3.92Å; F227-Y348 HydrophobicContact CE1-CD2 3.92Å; F227-Y348 HydrophobicContact CE2-CD2 4.17Å; F227-Y348 HydrophobicContact CE2-CG 4.4Å; F227-Y348 AromaticContact CZ-CD2 3.61Å; F227-Y348 HydrophobicContact CZ-CD2 3.61Å; F227-Y348 HydrophobicContact CZ-CG 4.12Å; F227-V351 HydrophobicContact CB-CG2 3.88Å; F227-V351 HydrophobicContact CD2-CG2 4.47Å; F227-V351 HydrophobicContact CG-CG2 4.07Å; F227-M465 PolarHBondContact N-O 3.46Å; F227-P467 HydrophobicContact CB-CG 4.09Å
228S94.3Very high80Confident3 Ų344.4 Ų44.42%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-153.2163.9173.6-1620000111.1P226 R318 A464 M465P226-S228 VanDerWaalsContact C-N 3.3Å; S228-R318 VanDerWaalsContact OG-CD 3.28Å; S228-R318 WeakPolarHBondContact OG-CD 3.45Å; S228-R318 VanDerWaalsContact OG-CG 3.25Å; S228-R318 WeakPolarHBondContact OG-CG 3.39Å; S228-A464 WeakPolarHBondContact O-CA 3.4Å; S228-M465 PolarHBondContact O-N 3.46Å
229W94.3Very high77.2Confident26 Ų2651.6 Ų51.610%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-157160.8-178.259.688.5000111.9P226 W263 L265 R318 T463 A464P226-W229 HydrophobicContact CB-CE3 3.79Å; P226-W229 HydrophobicContact CB-CZ3 4.36Å; P226-W229 HydrophobicContact CG-CD2 4.13Å; P226-W229 HydrophobicContact CG-CE3 3.37Å; P226-W229 HydrophobicContact CG-CZ3 3.72Å; P226-W229 WeakPolarHBondContact O-CZ3 3.46Å; W229-W263 WeakPolarHBondContact CZ2-O 3.32Å; W229-W263 PolarHBondContact NE1-O 2.82Å; W229-L265 HydrophobicContact CG-CD1 3.98Å; W229-R318 PolarHBondContact O-NH1 3.44Å; W229-T463 CarbonylContact C-O 3.57Å; W229-T463 WeakPolarHBondContact CA-O 3.3Å; W229-T463 WeakPolarHBondContact CB-O 3.25Å; W229-A464 HydrophobicContact CB-CB 3.62Å
230V93.6Very high74.2Confident3 Ų351.9 Ų51.92%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-138.2135.4176.5172.40000109.1V311 Q314 L315 A462 T463V230-V311 HydrophobicContact CB-CG1 4.12Å; V230-V311 HydrophobicContact CG1-CG1 4.03Å; V230-Q314 HydrophobicContact CG1-CB 4.48Å; V230-Q314 HydrophobicContact CG1-CG 4.27Å; V230-Q314 HydrophobicContact CG2-CB 4.3Å; V230-Q314 HydrophobicContact CG2-CG 3.91Å; V230-L315 HydrophobicContact CB-CB 4.39Å; V230-L315 HydrophobicContact CG2-CB 3.81Å; V230-L315 HydrophobicContact CG2-CD1 4.19Å; V230-A462 CarbonylContact O-C 3.58Å; V230-A462 WeakPolarHBondContact O-CA 3.46Å; V230-A462 VanDerWaalsContact O-CB 3.26Å; V230-A462 WeakPolarHBondContact O-CB 3.34Å; V230-T463 PolarHBondContact N-O 3.47Å; V230-T463 PolarHBondContact O-N 3.35Å
231L91.4Very high71.2Confident7 Ų756.6 Ų56.64%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-63.8135.4173.5-79.5161.4000110.1P233 E257 R260 H262 L265 V461L231-P233 WeakPolarHBondContact O-CD 3.29Å; L231-E257 HydrophobicContact CB-CB 4.45Å; L231-R260 HydrophobicContact CD1-CB 4.27Å; L231-R260 HydrophobicContact CD2-CB 4.01Å; L231-H262 HydrophobicContact CD1-CB 4.34Å; L231-L265 HydrophobicContact CD1-CD2 4.03Å; L231-L265 HydrophobicContact CD2-CD2 3.38Å; L231-L265 HydrophobicContact CG-CD2 3.46Å; L231-L265 VanDerWaalsContact CG-CD2 3.46Å; L231-V461 WeakPolarHBondContact CA-O 3.45Å; L231-V461 VanDerWaalsContact CD2-O 3.25Å; L231-V461 WeakPolarHBondContact CD2-O 3.29Å
232I87.4Confident68.3Low29 Ų2962.4 Ų62.415%0.14935%0.35CS..PPolyproline II helixtrans-77.6120.5172.6-62.2164.7000106.6R460 V461I232-R460 HydrophobicContact CD1-CB 3.85Å; I232-V461 PolarHBondContact N-O 3.49Å
233P80.1Confident65.6Low36 Ų3665.6 Ų65.623%0.23438%0.383CS..PPolyproline II helixtrans-59.4152.2175.7-19.731.3000110.8M2 L231 V235M2-P233 VanDerWaalsContact CE-C 3.47Å; M2-P233 HydrophobicContact CE-CB 3.7Å; M2-P233 HydrophobicContact CE-CG 4.27Å; M2-P233 WeakPolarHBondContact CE-O 3.38Å; M2-P233 HydrophobicContact SD-CB 4.45Å; L231-P233 WeakPolarHBondContact O-CD 3.29Å; P233-V235 PolarHBondContact O-N 3.1Å
234G67.1Low62.6Low30 Ų3073.9 Ų73.931%0.30942%0.42SS..PPolyproline II helixtrans-62.8135.8176.900000111E236 E257G234-E236 PolarHBondContact O-N 3.45Å; G234-E257 PolarHBondContact N-OE1 2.77Å; G234-E257 PolarHBondContact N-OE2 2.93Å
235V50.7Low59.8Low111 Ų11177.4 Ų77.467%0.67346%0.459SS*.  trans-78.1115.6166.4-173.20000106.7M2 P233 K237M2-V235 HydrophobicContact CE-CG2 4.11Å; P233-V235 PolarHBondContact O-N 3.1Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 2.86Å
236E41.1Very low56.8Low158 Ų15881.7 Ų81.774%0.73849%0.486SS*.  trans-58.3101.8163.8-71.5-173.3165.800107.3G234 V238G234-E236 PolarHBondContact O-N 3.45Å; E236-V238 PolarHBondContact O-N 3.3Å
237K33.8Very low53.7Low160 Ų16089.1 Ų89.170%0.69653%0.526SS*.  trans-67.787.7169.1-74.6-174.5-179.2176.70106.6V235 K239V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 2.86Å; K237-K239 VanDerWaalsContact C-N 3.34Å; K237-K239 PolarHBondContact O-N 3.05Å
238V29.3Very low50.6Low114 Ų11495.1 Ų95.169%0.69156%0.557SS**  trans-60.6103.1162.6-179.60000105.4E236 G240E236-V238 PolarHBondContact O-N 3.3Å; V238-G240 VanDerWaalsContact C-N 3.26Å; V238-G240 PolarHBondContact O-N 3.39Å
239K32.1Very low47.6Very low165 Ų165103.4 Ų103.472%0.71760%0.595SS**  trans-61.796.9166-75.8176.1-178.51610106K237 N241 E251K237-K239 VanDerWaalsContact C-N 3.34Å; K237-K239 PolarHBondContact O-N 3.05Å; K239-N241 PolarHBondContact O-N 2.92Å; K239-E251 IonicContact NZ-OE2 2.85Å; K239-E251 PolarHBondContact NZ-OE2 3.43Å
240G28.5Very low45Very low69 Ų69112 Ų11271%0.71163%0.627SS**  trans-67.594.8174.900000109.4V238 S242V238-G240 VanDerWaalsContact C-N 3.26Å; V238-G240 PolarHBondContact O-N 3.39Å; G240-S242 PolarHBondContact O-N 3.32Å
241N31Very low42.4Very low153 Ų153119 Ų11982%0.81866%0.66SS**  trans-78109.7153.8-88.60.6000106.8K239 G243K239-N241 PolarHBondContact O-N 2.92Å; N241-G243 PolarHBondContact O-N 3.45Å; N241-G243 VanDerWaalsContact O-N 3.08Å
242S32.8Very low40.3Very low121 Ų121122.8 Ų122.885%0.84668%0.681SS**  trans-52.9113.4161.647.50000109.5G240G240-S242 PolarHBondContact O-N 3.32Å
243G33.3Very low39.1Very low69 Ų69128.4 Ų128.471%0.71171%0.708SS**SBendtrans55.388.9155.400000117.5N241N241-G243 PolarHBondContact O-N 3.45Å; N241-G243 VanDerWaalsContact O-N 3.08Å
244Q28.2Very low38.6Very low191 Ų191127.8 Ų127.889%0.89370%0.701SS**  175.3130.2125.3-95.7171.811.200108.3L246Q244-L246 PolarHBondContact O-N 3.25Å; Q244-L246 VanDerWaalsContact O-N 3.11Å
245G32.8Very low39Very low86 Ų86127.1 Ų127.189%0.88770%0.695SS**  trans-60.2111.5-171.900000112.8
246L26.1Very low40.4Very low159 Ų159122.5 Ų122.583%0.83267%0.668SS**  trans-145.3135.7161.1-82.1166.3000106.6Q244 I248Q244-L246 PolarHBondContact O-N 3.25Å; Q244-L246 VanDerWaalsContact O-N 3.11Å; L246-I248 PolarHBondContact O-N 3.03Å
247D26.4Very low42.2Very low165 Ų165115.8 Ų115.888%0.88264%0.637SS**  trans-40.2116.9-174.4-88-41.8000113.6Q249D247-Q249 PolarHBondContact O-N 2.74Å
248I29.1Very low44.7Very low142 Ų142110 Ų11073%0.72861%0.612SS**  trans-74.198.6177-58.7170.8000107.7L246 R250L246-I248 PolarHBondContact O-N 3.03Å; I248-R250 PolarHBondContact O-N 3.1Å
249Q30.9Very low47.4Very low177 Ų177106.5 Ų106.583%0.82759%0.588SS**  trans-66.6103.9164.6-72.1-169.9-4.900108.7D247 E251D247-Q249 PolarHBondContact O-N 2.74Å; Q249-E251 PolarHBondContact O-N 2.85Å
250R39.3Very low50.2Low206 Ų20699.3 Ų99.378%0.77756%0.556SS**  trans-64.395.8169.1-62.9178.8-155.7175.84.8108.4I248 N252I248-R250 PolarHBondContact O-N 3.1Å; R250-N252 PolarHBondContact O-N 3.48Å
251E38.2Very low53.2Low151 Ų15196 Ų9671%0.70652%0.522SS*.  trans-69.798.4165.9-80.5176.1154.400107.8K239 Q249 M253K239-E251 IonicContact NZ-OE2 2.85Å; K239-E251 PolarHBondContact NZ-OE2 3.43Å; Q249-E251 PolarHBondContact O-N 2.85Å; E251-M253 VanDerWaalsContact C-N 3.3Å; E251-M253 PolarHBondContact O-N 3.36Å
252N47.2Very low56.2Low87 Ų8789.1 Ų89.147%0.46549%0.485SS..  trans-63.684176.7-84.411.7000110.6K75 R250 F254K75-N252 PolarHBondContact NZ-ND2 2.87Å; R250-N252 PolarHBondContact O-N 3.48Å; N252-F254 PolarHBondContact O-N 3.32Å
253M62.4Low59Low147 Ų14784.5 Ų84.572%0.72445%0.449SS*.  trans-78.9121.1170.7-165.4172.570.300109.4E251 G255E251-M253 VanDerWaalsContact C-N 3.3Å; E251-M253 PolarHBondContact O-N 3.36Å; M253-G255 PolarHBondContact O-N 3.48Å
254F70.8Confident61.7Low22 Ų2281.4 Ų81.410%0.09642%0.417CS..  trans-66.7116.2178-74.1-78.2000111.6T87 L90 H91 Q94 N252 H258 K259T87-F254 HydrophobicContact CG2-CD2 4.47Å; T87-F254 HydrophobicContact CG2-CE2 4.04Å; L90-F254 VanDerWaalsContact C-CZ 3.49Å; L90-F254 HydrophobicContact CB-CD1 4.29Å; L90-F254 HydrophobicContact CB-CD2 3.77Å; L90-F254 HydrophobicContact CB-CE1 4.04Å; L90-F254 HydrophobicContact CB-CE2 3.49Å; L90-F254 VanDerWaalsContact CB-CE2 3.49Å; L90-F254 HydrophobicContact CB-CG 4.15Å; L90-F254 HydrophobicContact CB-CZ 3.62Å; L90-F254 HydrophobicContact CD1-CB 4.23Å; L90-F254 HydrophobicContact CD1-CD2 3.78Å; L90-F254 HydrophobicContact CD1-CE2 4.32Å; L90-F254 HydrophobicContact CD1-CG 4.06Å; L90-F254 HydrophobicContact CG-CD2 4.41Å; H91-F254 HydrophobicContact CB-CZ 4.23Å; H91-F254 AromaticContact CD2-CE2 3.83Å; H91-F254 AromaticContact CD2-CZ 3.99Å; H91-F254 AromaticContact CE1-CE2 3.65Å; H91-F254 AromaticContact CE1-CZ 3.49Å; H91-F254 VanDerWaalsContact CE1-CZ 3.49Å; H91-F254 WeakPolarHBondContact CE1-CZ 3.4Å; H91-F254 AromaticContact CG-CE2 3.95Å; H91-F254 AromaticContact CG-CZ 3.62Å; H91-F254 AromaticContact ND1-CE2 3.88Å; H91-F254 AromaticContact ND1-CZ 3.33Å; H91-F254 VanDerWaalsContact ND1-CZ 3.33Å; H91-F254 WeakPolarHBondContact ND1-CZ 3.3Å; H91-F254 AromaticContact NE2-CE2 3.65Å; H91-F254 AromaticContact NE2-CZ 3.92Å; Q94-F254 HydrophobicContact CB-CE1 4.26Å; N252-F254 PolarHBondContact O-N 3.32Å; F254-H258 HydrophobicContact CB-CB 4.12Å; F254-H258 HydrophobicContact CD1-CB 3.6Å; F254-H258 AromaticContact CD1-CD2 3.69Å; F254-H258 AromaticContact CD1-CG 3.84Å; F254-H258 HydrophobicContact CG-CB 4.33Å; F254-K259 HydrophobicContact CB-CG 4.44Å; F254-K259 VanDerWaalsContact O-CE 3.28Å; F254-K259 WeakPolarHBondContact O-CE 3.34Å; F254-K259 PolarHBondContact O-NZ 3.38Å
255G75.6Confident64.7Low16 Ų1672.3 Ų72.317%0.16537%0.374CS..  trans-68.8176172.300000114.3M253 E257 H258M253-G255 PolarHBondContact O-N 3.48Å; G255-E257 VanDerWaalsContact C-N 3.29Å; G255-E257 VanDerWaalsContact CA-OE2 3.25Å; G255-E257 WeakPolarHBondContact CA-OE2 3.38Å; G255-E257 PolarHBondContact O-N 3.14Å; G255-H258 PolarHBondContact O-N 2.9Å
256A78.6Confident67.3Low15 Ų1568.3 Ų68.312%0.12433%0.333CS..Hα-helixtrans-60.8-38.7-178.400000112.4H258 K259 R260 V461A256-H258 PolarHBondContact O-N 2.89Å; A256-H258 VanDerWaalsContact O-N 3.17Å; A256-K259 PolarHBondContact O-N 3.17Å; A256-K259 VanDerWaalsContact O-N 3.15Å; A256-R260 VanDerWaalsContact O-CB 3.3Å; A256-R260 WeakPolarHBondContact O-CB 3.16Å; A256-R260 WeakPolarHBondContact O-CG 3.47Å; A256-R260 PolarHBondContact O-N 3.48Å; A256-V461 HydrophobicContact CB-CB 3.95Å; A256-V461 HydrophobicContact CB-CG1 3.69Å
257E80.6Confident70.2Confident16 Ų1665.1 Ų65.18%0.07531%0.313CS..Hα-helixtrans-56.2-27.8174.174.9-75-168.100112.9L231 G234 G255 H262 R281L231-E257 HydrophobicContact CB-CB 4.45Å; G234-E257 PolarHBondContact N-OE1 2.77Å; G234-E257 PolarHBondContact N-OE2 2.93Å; G255-E257 VanDerWaalsContact C-N 3.29Å; G255-E257 VanDerWaalsContact CA-OE2 3.25Å; G255-E257 WeakPolarHBondContact CA-OE2 3.38Å; G255-E257 PolarHBondContact O-N 3.14Å; E257-H262 PolarHBondContact O-CE1 2.86Å; E257-R281 PolarHBondContact O-NE 3.27Å
258H85.7Confident73.1Confident40 Ų4058 Ų5819%0.18528%0.276CS..Hα-helixtrans-86.3-26-179.3-63.1-35000114.1Q94 F254 G255 A256 R281Q94-H258 PolarHBondContact OE1-ND1 3.37Å; F254-H258 HydrophobicContact CB-CB 4.12Å; F254-H258 HydrophobicContact CD1-CB 3.6Å; F254-H258 AromaticContact CD1-CD2 3.69Å; F254-H258 AromaticContact CD1-CG 3.84Å; F254-H258 HydrophobicContact CG-CB 4.33Å; G255-H258 PolarHBondContact O-N 2.9Å; A256-H258 PolarHBondContact O-N 2.89Å; A256-H258 VanDerWaalsContact O-N 3.17Å; H258-R281 PolarHBondContact ND1-NH1 2.79Å; H258-R281 PolarHBondContact ND1-NH2 3.32Å; H258-R281 PolarHBondContact O-NH1 3.26Å
259K86.7Confident75.9Confident39 Ų3952.2 Ų52.217%0.1725%0.247CC..Hα-helixtrans-99.4-13.4-175.3-61.2176.7-179171.60112.5L90 F254 A256 E267 T268L90-K259 HydrophobicContact CD1-CG 4.21Å; L90-K259 HydrophobicContact CD2-CG 3.98Å; F254-K259 HydrophobicContact CB-CG 4.44Å; F254-K259 VanDerWaalsContact O-CE 3.28Å; F254-K259 WeakPolarHBondContact O-CE 3.34Å; F254-K259 PolarHBondContact O-NZ 3.38Å; A256-K259 PolarHBondContact O-N 3.17Å; A256-K259 VanDerWaalsContact O-N 3.15Å; K259-E267 HydrophobicContact CB-CG 4.38Å; K259-E267 CarbonylContact O-C 3.58Å; K259-E267 VanDerWaalsContact O-CA 3.29Å; K259-E267 WeakPolarHBondContact O-CA 3.5Å; K259-E267 WeakPolarHBondContact O-CG 3.04Å; K259-T268 PolarHBondContact O-N 2.77Å
260R90Very high78.7Confident14 Ų1444.5 Ų44.55%0.05321%0.212CC..BIsolated β-bridgetrans-120.3149.4-170.3-64.3-177.9174.3-92.3-2.4113.7L231 A256 H262 L265 A266 T442 T486L231-R260 HydrophobicContact CD1-CB 4.27Å; L231-R260 HydrophobicContact CD2-CB 4.01Å; A256-R260 VanDerWaalsContact O-CB 3.3Å; A256-R260 WeakPolarHBondContact O-CB 3.16Å; A256-R260 WeakPolarHBondContact O-CG 3.47Å; A256-R260 PolarHBondContact O-N 3.48Å; R260-H262 PolarHBondContact O-N 3.27Å; R260-H262 PolarHBondContact O-ND1 3.42Å; R260-L265 PolarHBondContact NH1-O 2.98Å; R260-A266 CarbonylContact C-O 3.56Å; R260-A266 WeakPolarHBondContact CA-O 3.45Å; R260-T442 PolarHBondContact NH2-OG1 2.86Å; R260-T486 PolarHBondContact NH1-OG1 2.99Å
261C92.3Very high81.1Confident0 Ų034.7 Ų34.70%018%0.175CC..  trans-66127.5171.91800000110.5W263 C264 L265 A266 Y282 C283C261-W263 PolarHBondContact O-N 3.39Å; C261-W263 PolarHBondContact SG-N 2.88Å; C261-W263 VanDerWaalsContact SG-N 3.4Å; C261-C264 PolarHBondContact SG-N 3.39Å; C261-C264 VanDerWaalsContact SG-N 3.38Å; C261-C264 VanDerWaalsContact SG-SG 3.65Å; C261-L265 WeakPolarHBondContact O-CA 3.1Å; C261-L265 PolarHBondContact O-N 2.98Å; C261-A266 PolarHBondContact N-O 2.96Å; C261-Y282 VanDerWaalsContact SG-CA 3.57Å; C261-C283 HydrophobicContact CB-CB 4.02Å; C261-C283 PolarHBondContact SG-N 3.42Å; C261-C283 VanDerWaalsContact SG-N 3.37Å
262H92.7Very high83.7Confident9 Ų928.1 Ų28.14%0.04215%0.145CC..THydrogen-bonded Turntrans-70.6-11.5177.7-72.955.6000113.9L231 E257 R260 F279 R281 Y282L231-H262 HydrophobicContact CD1-CB 4.34Å; E257-H262 PolarHBondContact O-CE1 2.86Å; R260-H262 PolarHBondContact O-N 3.27Å; R260-H262 PolarHBondContact O-ND1 3.42Å; H262-F279 AromaticContact CD2-CE1 3.97Å; H262-F279 AromaticContact NE2-CE1 3.67Å; H262-F279 AromaticContact NE2-CZ 3.84Å; H262-R281 PolarHBondContact N-O 3.33Å; H262-R281 PolarHBondContact ND1-N 3.39Å; H262-R281 PolarHBondContact ND1-O 2.91Å; H262-Y282 HydrophobicContact CB-CE1 4.16Å
263W92.4Very high86Confident23 Ų2324.5 Ų24.59%0.08713%0.127CC..THydrogen-bonded Turntrans-92.5-81.8169.2-177.3-114.3000109.3W229 C261 L265 Y282 C287 E290 A291 E294 H295W229-W263 WeakPolarHBondContact CZ2-O 3.32Å; W229-W263 PolarHBondContact NE1-O 2.82Å; C261-W263 PolarHBondContact O-N 3.39Å; C261-W263 PolarHBondContact SG-N 2.88Å; C261-W263 VanDerWaalsContact SG-N 3.4Å; W263-L265 PolarHBondContact O-N 2.87Å; W263-Y282 HydrophobicContact CB-CD1 3.97Å; W263-Y282 HydrophobicContact CB-CE1 4.31Å; W263-C287 HydrophobicContact CB-CB 4.02Å; W263-C287 HydrophobicContact CG-CB 4.19Å; W263-E290 HydrophobicContact CD2-CB 4.32Å; W263-E290 HydrophobicContact CH2-CB 4.32Å; W263-E290 HydrophobicContact CZ2-CB 3.73Å; W263-E290 PolarHBondContact NE1-OE2 3.27Å; W263-A291 HydrophobicContact CB-CB 4.22Å; W263-A291 HydrophobicContact CD2-CB 4.23Å; W263-A291 HydrophobicContact CE3-CB 3.7Å; W263-A291 HydrophobicContact CG-CB 4.47Å; W263-A291 HydrophobicContact CZ3-CB 4.39Å; W263-E294 HydrophobicContact CH2-CB 3.93Å; W263-E294 VanDerWaalsContact CH2-CD 3.42Å; W263-E294 HydrophobicContact CH2-CG 4.23Å; W263-E294 VanDerWaalsContact CH2-OE2 3.3Å; W263-E294 WeakPolarHBondContact CH2-OE2 3.47Å; W263-E294 HydrophobicContact CZ3-CB 3.92Å; W263-E294 HydrophobicContact CZ3-CG 4.34Å; W263-E294 VanDerWaalsContact CZ3-OE1 3.29Å; W263-E294 WeakPolarHBondContact CZ3-OE1 3.28Å; W263-H295 AromaticContact CE3-CE1 3.6Å; W263-H295 AromaticContact CZ3-CE1 3.52Å; W263-H295 AromaticContact CZ3-ND1 3.75Å
264C90.4Very high87.6Confident5 Ų517.6 Ų17.63%0.0349%0.093CC..THydrogen-bonded Turntrans-85.2-0.1-168.6680000116.7C261 A266 G514C261-C264 PolarHBondContact SG-N 3.39Å; C261-C264 VanDerWaalsContact SG-N 3.38Å; C261-C264 VanDerWaalsContact SG-SG 3.65Å; C264-A266 PolarHBondContact O-N 3.42Å; C264-A266 VanDerWaalsContact O-N 3.09Å; C264-A266 WeakPolarHBondContact SG-CB 3.37Å; C264-G514 CarbonylContact O-C 3.58Å; C264-G514 WeakPolarHBondContact O-CA 3.27Å
265L90.4Very high88.6Confident0 Ų024.1 Ų24.10%012%0.121CC..  trans62.24.8-175.3-53.9-178.1000116.4W229 L231 R260 C261 W263 A462 V515W229-L265 HydrophobicContact CG-CD1 3.98Å; L231-L265 HydrophobicContact CD1-CD2 4.03Å; L231-L265 HydrophobicContact CD2-CD2 3.38Å; L231-L265 HydrophobicContact CG-CD2 3.46Å; L231-L265 VanDerWaalsContact CG-CD2 3.46Å; R260-L265 PolarHBondContact NH1-O 2.98Å; C261-L265 WeakPolarHBondContact O-CA 3.1Å; C261-L265 PolarHBondContact O-N 2.98Å; W263-L265 PolarHBondContact O-N 2.87Å; L265-A462 HydrophobicContact CD1-CB 3.61Å; L265-A462 HydrophobicContact CD2-CB 4.28Å; L265-V515 HydrophobicContact CB-CG2 3.58Å; L265-V515 HydrophobicContact CD1-CB 4.23Å; L265-V515 HydrophobicContact CD1-CG2 3.18Å; L265-V515 HydrophobicContact CG-CG2 3.75Å
266A87.7Confident89.4Confident2 Ų225.4 Ų25.42%0.01713%0.134CC..  trans-58.5138.5171.500000111R260 C261 C264 G487R260-A266 CarbonylContact C-O 3.56Å; R260-A266 WeakPolarHBondContact CA-O 3.45Å; C261-A266 PolarHBondContact N-O 2.96Å; C264-A266 PolarHBondContact O-N 3.42Å; C264-A266 VanDerWaalsContact O-N 3.09Å; C264-A266 WeakPolarHBondContact SG-CB 3.37Å; A266-G487 WeakPolarHBondContact CA-O 3.48Å; A266-G487 WeakPolarHBondContact CB-O 3.14Å
267E86.4Confident90.1Very high91 Ų9125 Ų2543%0.42513%0.13SC..BIsolated β-bridgetrans-69.3139.5171.4-169.9167.5-16800110.1K259K259-E267 HydrophobicContact CB-CG 4.38Å; K259-E267 CarbonylContact O-C 3.58Å; K259-E267 VanDerWaalsContact O-CA 3.29Å; K259-E267 WeakPolarHBondContact O-CA 3.5Å; K259-E267 WeakPolarHBondContact O-CG 3.04Å
268T87.1Confident90.7Very high15 Ų1524.3 Ų24.39%0.09213%0.127CC..  trans-154.1129.5-179.7-173.90000111.1K259 C270 A271 C283K259-T268 PolarHBondContact O-N 2.77Å; T268-C270 VanDerWaalsContact C-N 3.32Å; T268-C270 PolarHBondContact OG1-N 3.48Å; T268-C270 VanDerWaalsContact OG1-N 3.13Å; T268-A271 HydrophobicContact CG2-CB 4.16Å; T268-C283 HydrophobicContact CG2-CB 4.03Å
269L88.8Confident90.9Very high22 Ų2224.6 Ų24.612%0.11513%0.128CC..SBendtrans-82.7-16.5166.5-62.5179.3000111.6K86 A89 L90 S93 L117 L120K86-L269 HydrophobicContact CG-CD1 4.36Å; K86-L269 HydrophobicContact CG-CD2 4.2Å; A89-L269 HydrophobicContact CB-CB 4.44Å; L90-L269 HydrophobicContact CD2-CD2 3.67Å; L90-L269 HydrophobicContact CG-CD2 3.82Å; S93-L269 PolarHBondContact OG-O 2.9Å; L117-L269 HydrophobicContact CD2-CB 4.4Å; L120-L269 HydrophobicContact CD1-CD1 3.78Å
270C89.3Confident91.3Very high14 Ų1422.9 Ų22.910%0.09512%0.121CC..SBendtrans-109.742-167.6-59.80000112L117 E125 T268 V272L117-C270 VanDerWaalsContact CD1-SG 3.52Å; L117-C270 WeakPolarHBondContact CD2-SG 3.25Å; E125-C270 VanDerWaalsContact CB-SG 3.56Å; E125-C270 HydrophobicContact CG-CB 4.42Å; T268-C270 VanDerWaalsContact C-N 3.32Å; T268-C270 PolarHBondContact OG1-N 3.48Å; T268-C270 VanDerWaalsContact OG1-N 3.13Å; C270-V272 PolarHBondContact O-N 3.47Å
271A90.6Very high91.4Very high1 Ų122.4 Ų22.41%0.00812%0.119CC..PPolyproline II helixtrans-58.3135.4-172.100000112.3R113 T268 R281 Y282R113-A271 PolarHBondContact NH1-O 2.79Å; T268-A271 HydrophobicContact CG2-CB 4.16Å; A271-R281 HydrophobicContact CB-CB 3.94Å; A271-R281 HydrophobicContact CB-CG 4.03Å; A271-Y282 CarbonylContact C-O 3.52Å; A271-Y282 VanDerWaalsContact CA-O 3.3Å; A271-Y282 WeakPolarHBondContact CA-O 3.29Å
272V92.8Very high91.5Very high12 Ų1222.5 Ų22.57%0.07312%0.12CC..EExtended strand (participates in β ladder)trans-87.4118.1167.9-179.40000107.5C270 R281 Y282 Q288C270-V272 PolarHBondContact O-N 3.47Å; V272-R281 WeakPolarHBondContact O-CA 3.29Å; V272-Y282 PolarHBondContact N-O 2.98Å; V272-Y282 WeakPolarHBondContact O-CD2 3.25Å; V272-Y282 PolarHBondContact O-N 3.43Å; V272-Q288 HydrophobicContact CG1-CB 4.46Å
273P95Very high91.4Very high12 Ų1223.1 Ų23.18%0.07812%0.124CC..EExtended strand (participates in β ladder)trans-79.3150.2-174.735.1-39.1000111.3I96 C97 Q288I96-P273 HydrophobicContact CG2-CB 4.12Å; I96-P273 HydrophobicContact CG2-CG 3.55Å; C97-P273 HydrophobicContact CB-CB 4.44Å; P273-Q288 PolarHBondContact O-NE2 3.09Å
274C95.3Very high91.3Very high2 Ų223.2 Ų23.21%0.01413%0.129CC..PPolyproline II helixtrans-54.4146.4161.6-1790000110.6K64 G276 S280 Y282 H296K64-C274 WeakPolarHBondContact CE-O 3.45Å; K64-C274 PolarHBondContact NZ-O 3.06Å; C274-G276 PolarHBondContact SG-N 3.15Å; C274-G276 VanDerWaalsContact SG-N 3.35Å; C274-S280 WeakPolarHBondContact CB-O 3.3Å; C274-S280 PolarHBondContact N-O 2.97Å; C274-Y282 HydrophobicContact CB-CE2 4.38Å; C274-H296 PolarHBondContact SG-NE2 3Å
275K92.5Very high91.3Very high159 Ų15925.9 Ų25.969%0.69115%0.151SC*.SBendtrans-75.6-31.8176.8-65178.7-177.6172.90112.3
276G91.8Very high91.4Very high43 Ų4328.4 Ų28.444%0.44317%0.169SC..SBendtrans-92-45.2-175.400000114.9C274C274-G276 PolarHBondContact SG-N 3.15Å; C274-G276 VanDerWaalsContact SG-N 3.35Å
277C93.6Very high91.6Very high6 Ų628.4 Ų28.44%0.04117%0.169CC..BIsolated β-bridgetrans-111.7163.9-176.775.10000112.4V62 K64V62-C277 CarbonylContact O-C 3.39Å; V62-C277 WeakPolarHBondContact O-CA 3.35Å; V62-C277 WeakPolarHBondContact O-CB 3.48Å; K64-C277 WeakPolarHBondContact CE-O 3.08Å; K64-C277 PolarHBondContact NZ-O 3.31Å
278S93.1Very high92Very high2 Ų225.4 Ų25.41%0.01416%0.155CC..SBendtrans-94.4-5.317460.40000114.1V62 K63 C97 F98V62-S278 WeakPolarHBondContact CA-OG 3.47Å; V62-S278 PolarHBondContact O-N 3.29Å; V62-S278 PolarHBondContact O-OG 3.49Å; K63-S278 PolarHBondContact N-OG 2.89Å; K63-S278 VanDerWaalsContact O-CB 3.29Å; K63-S278 WeakPolarHBondContact O-CB 3.31Å; K63-S278 PolarHBondContact O-OG 3.12Å; C97-S278 WeakPolarHBondContact CB-O 3.48Å; C97-S278 VanDerWaalsContact O-CA 3.22Å; C97-S278 WeakPolarHBondContact O-CA 3.07Å; C97-S278 WeakPolarHBondContact O-CB 3.2Å; F98-S278 VanDerWaalsContact CD1-CB 3.43Å; F98-S278 WeakPolarHBondContact CE1-OG 3.49Å
279F91.3Very high92.3Very high46 Ų4629 Ų2920%0.20217%0.17CC..SBendtrans-82.1-62.1-176.5-178.7-114000111.9V62 H262 R281V62-F279 HydrophobicContact CB-CB 4.4Å; V62-F279 HydrophobicContact CG1-CB 4.32Å; H262-F279 AromaticContact CD2-CE1 3.97Å; H262-F279 AromaticContact NE2-CE1 3.67Å; H262-F279 AromaticContact NE2-CZ 3.84Å; F279-R281 PolarHBondContact O-NE 2.98Å
280S93.1Very high92.5Very high3 Ų330.2 Ų30.22%0.02118%0.176CC..  trans-75.5135.7-170.5-58.50000112.9C274 H296C274-S280 WeakPolarHBondContact CB-O 3.3Å; C274-S280 PolarHBondContact N-O 2.97Å; S280-H296 VanDerWaalsContact CB-CE1 3.46Å; S280-H296 WeakPolarHBondContact CB-CE1 3.12Å; S280-H296 PolarHBondContact OG-CE1 2.68Å
281R93.7Very high92.6Very high4 Ų429.6 Ų29.62%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-144.9152.4-176.675.7-165.565.9-172.5-3.8111.4Q94 E257 H258 H262 A271 V272 F279Q94-R281 VanDerWaalsContact OE1-CZ 3.26Å; E257-R281 PolarHBondContact O-NE 3.27Å; H258-R281 PolarHBondContact ND1-NH1 2.79Å; H258-R281 PolarHBondContact ND1-NH2 3.32Å; H258-R281 PolarHBondContact O-NH1 3.26Å; H262-R281 PolarHBondContact N-O 3.33Å; H262-R281 PolarHBondContact ND1-N 3.39Å; H262-R281 PolarHBondContact ND1-O 2.91Å; A271-R281 HydrophobicContact CB-CB 3.94Å; A271-R281 HydrophobicContact CB-CG 4.03Å; V272-R281 WeakPolarHBondContact O-CA 3.29Å; F279-R281 PolarHBondContact O-NE 2.98Å
282Y94.3Very high92.8Very high2 Ų234.4 Ų34.41%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-134.9153-169-49.4-81.8000112C261 H262 W263 A271 V272 C274 S284 C287 Q288 A291 H296C261-Y282 VanDerWaalsContact SG-CA 3.57Å; H262-Y282 HydrophobicContact CB-CE1 4.16Å; W263-Y282 HydrophobicContact CB-CD1 3.97Å; W263-Y282 HydrophobicContact CB-CE1 4.31Å; A271-Y282 CarbonylContact C-O 3.52Å; A271-Y282 VanDerWaalsContact CA-O 3.3Å; A271-Y282 WeakPolarHBondContact CA-O 3.29Å; V272-Y282 PolarHBondContact N-O 2.98Å; V272-Y282 WeakPolarHBondContact O-CD2 3.25Å; V272-Y282 PolarHBondContact O-N 3.43Å; C274-Y282 HydrophobicContact CB-CE2 4.38Å; Y282-S284 VanDerWaalsContact C-N 3.26Å; Y282-S284 PolarHBondContact O-N 2.88Å; Y282-C287 HydrophobicContact CD1-CB 4.49Å; Y282-C287 WeakPolarHBondContact CD1-O 3.28Å; Y282-Q288 VanDerWaalsContact CD2-CA 3.49Å; Y282-Q288 HydrophobicContact CD2-CB 3.43Å; Y282-Q288 VanDerWaalsContact CD2-CB 3.43Å; Y282-Q288 HydrophobicContact CD2-CG 3.68Å; Y282-Q288 HydrophobicContact CE2-CB 3.96Å; Y282-Q288 HydrophobicContact CE2-CG 3.77Å; Y282-Q288 VanDerWaalsContact CG-CA 3.46Å; Y282-Q288 HydrophobicContact CG-CB 3.8Å; Y282-A291 HydrophobicContact CD1-CB 4.17Å; Y282-A291 HydrophobicContact CE1-CB 3.33Å; Y282-H296 PolarHBondContact OH-CD2 2.68Å; Y282-H296 VanDerWaalsContact OH-CG 3.32Å
283C90.8Very high92.6Very high21 Ų2138.1 Ų38.114%0.14221%0.206CC..SBendtrans-73.8-19.717663.50000112.9C261 T268C261-C283 HydrophobicContact CB-CB 4.02Å; C261-C283 PolarHBondContact SG-N 3.42Å; C261-C283 VanDerWaalsContact SG-N 3.37Å; T268-C283 HydrophobicContact CG2-CB 4.03Å
284S90.3Very high92.3Very high25 Ų2539 Ų3918%0.17521%0.209CC..SBendtrans-152.5165.7-177.370.60000112.1Y282 S286 C287 Q288Y282-S284 VanDerWaalsContact C-N 3.26Å; Y282-S284 PolarHBondContact O-N 2.88Å; S284-S286 VanDerWaalsContact C-N 3.32Å; S284-C287 PolarHBondContact O-N 2.78Å; S284-C287 PolarHBondContact OG-N 3.3Å; S284-C287 PolarHBondContact OG-SG 2.73Å; S284-C287 VanDerWaalsContact OG-SG 3.34Å; S284-Q288 PolarHBondContact O-N 2.75Å
285A90.4Very high92.1Very high62 Ų6239.1 Ų39.151%0.51221%0.209SC..Hα-helixtrans-64.9-33.1173.900000112.6Q288 Q289A285-Q288 WeakPolarHBondContact O-CB 3.28Å; A285-Q288 PolarHBondContact O-N 3.39Å; A285-Q289 WeakPolarHBondContact O-CB 3.25Å; A285-Q289 PolarHBondContact O-N 2.93Å
286S91.5Very high92.2Very high52 Ų5231.8 Ų31.836%0.36418%0.178SC..Hα-helixtrans-67.3-45.1175.4112.90000110.7S284 Q288 Q289 E290S284-S286 VanDerWaalsContact C-N 3.32Å; S286-Q288 VanDerWaalsContact C-N 3.26Å; S286-Q288 PolarHBondContact O-N 3.49Å; S286-Q289 PolarHBondContact O-N 3.39Å; S286-Q289 VanDerWaalsContact O-N 3.08Å; S286-E290 WeakPolarHBondContact O-CB 3.24Å; S286-E290 VanDerWaalsContact O-CG 3.3Å; S286-E290 WeakPolarHBondContact O-CG 3.49Å; S286-E290 PolarHBondContact O-N 3Å; S286-E290 PolarHBondContact OG-OE1 3.34Å
287C93Very high92.1Very high2 Ų232.6 Ų32.61%0.01417%0.169CC..Hα-helixtrans-61.6-33.5175.3-67.20000113W263 Y282 S284 A291W263-C287 HydrophobicContact CB-CB 4.02Å; W263-C287 HydrophobicContact CG-CB 4.19Å; Y282-C287 HydrophobicContact CD1-CB 4.49Å; Y282-C287 WeakPolarHBondContact CD1-O 3.28Å; S284-C287 PolarHBondContact O-N 2.78Å; S284-C287 PolarHBondContact OG-N 3.3Å; S284-C287 PolarHBondContact OG-SG 2.73Å; S284-C287 VanDerWaalsContact OG-SG 3.34Å; C287-A291 VanDerWaalsContact O-CB 3.28Å; C287-A291 WeakPolarHBondContact O-CB 3.35Å; C287-A291 PolarHBondContact O-N 3.22Å
288Q94.7Very high91.9Very high29 Ų2933.4 Ų33.414%0.13617%0.172CC..Hα-helixtrans-64.1-47.9172.1176-177.243.900111.5V272 P273 Y282 S284 A285 S286 W292V272-Q288 HydrophobicContact CG1-CB 4.46Å; P273-Q288 PolarHBondContact O-NE2 3.09Å; Y282-Q288 VanDerWaalsContact CD2-CA 3.49Å; Y282-Q288 HydrophobicContact CD2-CB 3.43Å; Y282-Q288 VanDerWaalsContact CD2-CB 3.43Å; Y282-Q288 HydrophobicContact CD2-CG 3.68Å; Y282-Q288 HydrophobicContact CE2-CB 3.96Å; Y282-Q288 HydrophobicContact CE2-CG 3.77Å; Y282-Q288 VanDerWaalsContact CG-CA 3.46Å; Y282-Q288 HydrophobicContact CG-CB 3.8Å; S284-Q288 PolarHBondContact O-N 2.75Å; A285-Q288 WeakPolarHBondContact O-CB 3.28Å; A285-Q288 PolarHBondContact O-N 3.39Å; S286-Q288 VanDerWaalsContact C-N 3.26Å; S286-Q288 PolarHBondContact O-N 3.49Å; Q288-W292 WeakPolarHBondContact O-CB 3.33Å; Q288-W292 PolarHBondContact O-N 3.4Å
289Q93.3Very high91.9Very high90 Ų9033.5 Ų33.542%0.42117%0.172SC..Hα-helixtrans-67.4-46.2-177.4-174.361.830.800111.5A285 S286 A291 W292 E293A285-Q289 WeakPolarHBondContact O-CB 3.25Å; A285-Q289 PolarHBondContact O-N 2.93Å; S286-Q289 PolarHBondContact O-N 3.39Å; S286-Q289 VanDerWaalsContact O-N 3.08Å; Q289-A291 VanDerWaalsContact C-N 3.35Å; Q289-A291 PolarHBondContact O-N 3.34Å; Q289-W292 WeakPolarHBondContact O-CB 3.43Å; Q289-W292 PolarHBondContact O-N 3.28Å; Q289-W292 VanDerWaalsContact O-N 3.11Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.35Å; Q289-E293 PolarHBondContact NE2-OE1 3.23Å; Q289-E293 WeakPolarHBondContact O-CG 3.28Å; Q289-E293 PolarHBondContact O-N 3.26Å
290E91.4Very high91.9Very high48 Ų4832.1 Ų32.122%0.22417%0.168CC..Hα-helixtrans-59.1-45.2177.4-72.1163.9-144.500111.3W263 S286 W292 E293 E294W263-E290 HydrophobicContact CD2-CB 4.32Å; W263-E290 HydrophobicContact CH2-CB 4.32Å; W263-E290 HydrophobicContact CZ2-CB 3.73Å; W263-E290 PolarHBondContact NE1-OE2 3.27Å; S286-E290 WeakPolarHBondContact O-CB 3.24Å; S286-E290 VanDerWaalsContact O-CG 3.3Å; S286-E290 WeakPolarHBondContact O-CG 3.49Å; S286-E290 PolarHBondContact O-N 3Å; S286-E290 PolarHBondContact OG-OE1 3.34Å; E290-W292 VanDerWaalsContact C-N 3.33Å; E290-W292 PolarHBondContact O-N 3.35Å; E290-E293 PolarHBondContact O-N 3.5Å; E290-E294 WeakPolarHBondContact O-CB 3.21Å; E290-E294 PolarHBondContact O-N 3.18Å
291A93.3Very high91.8Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-63.8-4017500000112.2W263 Y282 C287 Q289 H295 H296W263-A291 HydrophobicContact CB-CB 4.22Å; W263-A291 HydrophobicContact CD2-CB 4.23Å; W263-A291 HydrophobicContact CE3-CB 3.7Å; W263-A291 HydrophobicContact CG-CB 4.47Å; W263-A291 HydrophobicContact CZ3-CB 4.39Å; Y282-A291 HydrophobicContact CD1-CB 4.17Å; Y282-A291 HydrophobicContact CE1-CB 3.33Å; C287-A291 VanDerWaalsContact O-CB 3.28Å; C287-A291 WeakPolarHBondContact O-CB 3.35Å; C287-A291 PolarHBondContact O-N 3.22Å; Q289-A291 VanDerWaalsContact C-N 3.35Å; Q289-A291 PolarHBondContact O-N 3.34Å; A291-H295 PolarHBondContact O-N 2.83Å; A291-H295 VanDerWaalsContact O-N 3.09Å; A291-H296 HydrophobicContact CB-CB 4.37Å; A291-H296 VanDerWaalsContact O-CB 3.31Å; A291-H296 WeakPolarHBondContact O-CB 3.47Å; A291-H296 PolarHBondContact O-N 3.11Å
292W93.3Very high91.7Very high102 Ų10236 Ų3639%0.38619%0.193SC..Iπ-helixtrans-61-46.6177.5-172.1-94.5000111.5Q288 Q289 E290 H296 H297 C300Q288-W292 WeakPolarHBondContact O-CB 3.33Å; Q288-W292 PolarHBondContact O-N 3.4Å; Q289-W292 WeakPolarHBondContact O-CB 3.43Å; Q289-W292 PolarHBondContact O-N 3.28Å; Q289-W292 VanDerWaalsContact O-N 3.11Å; E290-W292 VanDerWaalsContact C-N 3.33Å; E290-W292 PolarHBondContact O-N 3.35Å; W292-H296 AromaticContact CE3-CD2 3.86Å; W292-H297 HydrophobicContact CD2-CB 3.72Å; W292-H297 VanDerWaalsContact CE2-CB 3.43Å; W292-H297 HydrophobicContact CE3-CB 4.11Å; W292-H297 HydrophobicContact CG-CB 4.23Å; W292-H297 HydrophobicContact CH2-CB 3.99Å; W292-H297 HydrophobicContact CZ2-CB 3.59Å; W292-H297 HydrophobicContact CZ3-CB 4.23Å; W292-H297 PolarHBondContact O-ND1 3.15Å; W292-C300 HydrophobicContact CH2-CB 4.48Å; W292-C300 HydrophobicContact CZ3-CB 4.09Å
293E89.4Confident91.4Very high90 Ų9036.6 Ų36.642%0.42120%0.2SC..Iπ-helixtrans-67.7-40.1179.7-71.2172.9-174.700112.8Q289 E290Q289-E293 WeakPolarHBondContact CG-OE1 3.35Å; Q289-E293 PolarHBondContact NE2-OE1 3.23Å; Q289-E293 WeakPolarHBondContact O-CG 3.28Å; Q289-E293 PolarHBondContact O-N 3.26Å; E290-E293 PolarHBondContact O-N 3.5Å
294E89.3Confident91.4Very high32 Ų3236 Ų3615%0.1520%0.197CC..Iπ-helixtrans-79.5-43.1-174.6-165.7-163.576.100113.8W263 E290 W298 K322W263-E294 HydrophobicContact CH2-CB 3.93Å; W263-E294 VanDerWaalsContact CH2-CD 3.42Å; W263-E294 HydrophobicContact CH2-CG 4.23Å; W263-E294 VanDerWaalsContact CH2-OE2 3.3Å; W263-E294 WeakPolarHBondContact CH2-OE2 3.47Å; W263-E294 HydrophobicContact CZ3-CB 3.92Å; W263-E294 HydrophobicContact CZ3-CG 4.34Å; W263-E294 VanDerWaalsContact CZ3-OE1 3.29Å; W263-E294 WeakPolarHBondContact CZ3-OE1 3.28Å; E290-E294 WeakPolarHBondContact O-CB 3.21Å; E290-E294 PolarHBondContact O-N 3.18Å; E294-W298 WeakPolarHBondContact O-CZ3 3.36Å; E294-K322 HydrophobicContact CG-CB 4.19Å; E294-K322 HydrophobicContact CG-CG 4.09Å; E294-K322 IonicContact OE1-NZ 3.43Å; E294-K322 VanDerWaalsContact OE2-CD 3.29Å; E294-K322 WeakPolarHBondContact OE2-CD 3.27Å; E294-K322 WeakPolarHBondContact OE2-CE 3.39Å; E294-K322 IonicContact OE2-NZ 3.72Å; E294-K322 PolarHBondContact OE2-NZ 2.9Å
295H91.1Very high91.5Very high4 Ų436 Ų362%0.01919%0.194CC..Iπ-helixtrans-154.9-34.9-171.961.2-97.3000115.5W263 A291 H297 W298 E299 R318 L321W263-H295 AromaticContact CE3-CE1 3.6Å; W263-H295 AromaticContact CZ3-CE1 3.52Å; W263-H295 AromaticContact CZ3-ND1 3.75Å; A291-H295 PolarHBondContact O-N 2.83Å; A291-H295 VanDerWaalsContact O-N 3.09Å; H295-H297 VanDerWaalsContact C-N 3.29Å; H295-H297 PolarHBondContact O-N 3.28Å; H295-W298 PolarHBondContact O-N 2.66Å; H295-E299 IonicContact CD2-OE1 3.57Å; H295-E299 PolarHBondContact CD2-OE1 3.02Å; H295-E299 IonicContact CD2-OE2 3.95Å; H295-E299 PolarHBondContact O-N 3.1Å; H295-R318 HydrophobicContact CB-CG 3.79Å; H295-R318 PolarHBondContact CD2-NE 3.29Å; H295-R318 VanDerWaalsContact CD2-NE 3.29Å; H295-R318 PolarHBondContact NE2-NE 2.9Å; H295-R318 PolarHBondContact NE2-NH2 2.81Å; H295-L321 HydrophobicContact CB-CB 4.42Å; H295-L321 HydrophobicContact CB-CD1 4.2Å
296H93.5Very high91.6Very high5 Ų533.1 Ų33.12%0.02317%0.17CC..Iπ-helixtrans-68.5-26.6-163.7-175.854.9000113C274 S280 Y282 A291 W292 W298 E299 C300C274-H296 PolarHBondContact SG-NE2 3Å; S280-H296 VanDerWaalsContact CB-CE1 3.46Å; S280-H296 WeakPolarHBondContact CB-CE1 3.12Å; S280-H296 PolarHBondContact OG-CE1 2.68Å; Y282-H296 PolarHBondContact OH-CD2 2.68Å; Y282-H296 VanDerWaalsContact OH-CG 3.32Å; A291-H296 HydrophobicContact CB-CB 4.37Å; A291-H296 VanDerWaalsContact O-CB 3.31Å; A291-H296 WeakPolarHBondContact O-CB 3.47Å; A291-H296 PolarHBondContact O-N 3.11Å; W292-H296 AromaticContact CE3-CD2 3.86Å; H296-W298 VanDerWaalsContact C-N 3.26Å; H296-W298 PolarHBondContact O-N 2.81Å; H296-E299 PolarHBondContact O-N 3.34Å; H296-E299 VanDerWaalsContact O-N 3.16Å; H296-C300 WeakPolarHBondContact O-CA 3.41Å; H296-C300 WeakPolarHBondContact O-CB 3.35Å; H296-C300 PolarHBondContact O-N 2.85Å
297H90Very high91.6Very high59 Ų5932.9 Ų32.927%0.27317%0.171SC..Hα-helixtrans-66.3-28.2-179.875.2-100.2000113.6W292 H295 P301W292-H297 HydrophobicContact CD2-CB 3.72Å; W292-H297 VanDerWaalsContact CE2-CB 3.43Å; W292-H297 HydrophobicContact CE3-CB 4.11Å; W292-H297 HydrophobicContact CG-CB 4.23Å; W292-H297 HydrophobicContact CH2-CB 3.99Å; W292-H297 HydrophobicContact CZ2-CB 3.59Å; W292-H297 HydrophobicContact CZ3-CB 4.23Å; W292-H297 PolarHBondContact O-ND1 3.15Å; H295-H297 VanDerWaalsContact C-N 3.29Å; H295-H297 PolarHBondContact O-N 3.28Å; H297-P301 VanDerWaalsContact O-CD 3.27Å; H297-P301 WeakPolarHBondContact O-CD 3.36Å
298W89.1Confident91.6Very high24 Ų2433 Ų339%0.09117%0.172CC..Hα-helixtrans-81.7-31.6171.3-59.6-76.9000112.6E294 H295 H296 P301 L321 L380 P387E294-W298 WeakPolarHBondContact O-CZ3 3.36Å; H295-W298 PolarHBondContact O-N 2.66Å; H296-W298 VanDerWaalsContact C-N 3.26Å; H296-W298 PolarHBondContact O-N 2.81Å; W298-P301 WeakPolarHBondContact O-CD 3.4Å; W298-L321 HydrophobicContact CB-CD1 4.11Å; W298-L321 HydrophobicContact CD2-CD1 4.42Å; W298-L321 HydrophobicContact CD2-CD2 4.06Å; W298-L321 HydrophobicContact CE3-CD1 3.96Å; W298-L321 HydrophobicContact CE3-CD2 4Å; W298-L321 HydrophobicContact CE3-CG 4.43Å; W298-L321 HydrophobicContact CG-CD2 4.36Å; W298-L380 HydrophobicContact CB-CD2 4.39Å; W298-P387 VanDerWaalsContact CE2-CD 3.45Å; W298-P387 HydrophobicContact CH2-CB 3.5Å; W298-P387 VanDerWaalsContact CH2-CB 3.5Å; W298-P387 HydrophobicContact CH2-CG 3.29Å; W298-P387 VanDerWaalsContact CZ2-CA 3.5Å; W298-P387 HydrophobicContact CZ2-CB 3.21Å; W298-P387 HydrophobicContact CZ2-CG 3.03Å; W298-P387 HydrophobicContact CZ3-CG 4.34Å
299E92.5Very high91.6Very high3 Ų331.6 Ų31.61%0.01417%0.165CC..Hα-helixtrans-74.8-33.8176.5-64.9-176.3-17400112.7H295 H296 L302 G303 L306 Q314 L317 R318H295-E299 IonicContact CD2-OE1 3.57Å; H295-E299 PolarHBondContact CD2-OE1 3.02Å; H295-E299 IonicContact CD2-OE2 3.95Å; H295-E299 PolarHBondContact O-N 3.1Å; H296-E299 PolarHBondContact O-N 3.34Å; H296-E299 VanDerWaalsContact O-N 3.16Å; E299-L302 CarbonylContact O-C 3.59Å; E299-L302 WeakPolarHBondContact O-CA 3.35Å; E299-L302 PolarHBondContact O-N 3.29Å; E299-G303 PolarHBondContact O-N 2.97Å; E299-L306 HydrophobicContact CB-CD1 3.73Å; E299-L306 HydrophobicContact CG-CD1 3.85Å; E299-Q314 PolarHBondContact OE2-NE2 3.43Å; E299-Q314 VanDerWaalsContact OE2-NE2 3.07Å; E299-L317 HydrophobicContact CG-CD2 4.34Å; E299-R318 IonicContact OE1-CZ 2.81Å; E299-R318 IonicContact OE1-NE 2.94Å; E299-R318 PolarHBondContact OE1-NE 2.77Å; E299-R318 IonicContact OE1-NH2 2.87Å; E299-R318 PolarHBondContact OE1-NH2 3.29Å; E299-R318 IonicContact OE2-CZ 3.88Å; E299-R318 IonicContact OE2-NE 2.8Å; E299-R318 IonicContact OE2-NH2 3.86Å; E299-R318 PolarHBondContact OE2-NH2 2.91Å
300C92.6Very high91.5Very high18 Ų1827.6 Ų27.612%0.12215%0.148CC..G310 helixtrans-52.8-48.4-173.3-176.10000113.6W292 H296 L302W292-C300 HydrophobicContact CH2-CB 4.48Å; W292-C300 HydrophobicContact CZ3-CB 4.09Å; H296-C300 WeakPolarHBondContact O-CA 3.41Å; H296-C300 WeakPolarHBondContact O-CB 3.35Å; H296-C300 PolarHBondContact O-N 2.85Å; C300-L302 PolarHBondContact O-N 3Å
301P90.3Very high91.6Very high79 Ų7925.5 Ų25.551%0.51314%0.139SC..G310 helixtrans-70.7-18.1177.327.1-34.7000114H297 W298 A383H297-P301 VanDerWaalsContact O-CD 3.27Å; H297-P301 WeakPolarHBondContact O-CD 3.36Å; W298-P301 WeakPolarHBondContact O-CD 3.4Å; P301-A383 HydrophobicContact CG-CB 4.47Å
302L90.6Very high91.7Very high8 Ų825.8 Ų25.84%0.04214%0.14CC..G310 helixtrans-106.711.4-175.7-57.7-178.7000113.1E299 C300 A304 E305 L306 L376 K379 L380E299-L302 CarbonylContact O-C 3.59Å; E299-L302 WeakPolarHBondContact O-CA 3.35Å; E299-L302 PolarHBondContact O-N 3.29Å; C300-L302 PolarHBondContact O-N 3Å; L302-A304 VanDerWaalsContact C-N 3.27Å; L302-A304 PolarHBondContact O-N 3.5Å; L302-A304 VanDerWaalsContact O-N 3.16Å; L302-E305 PolarHBondContact O-N 3.1Å; L302-E305 VanDerWaalsContact O-N 3.12Å; L302-L306 HydrophobicContact CB-CD1 4.15Å; L302-L306 HydrophobicContact CB-CG 4.16Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 WeakPolarHBondContact O-CG 3.21Å; L302-L306 PolarHBondContact O-N 3.21Å; L302-L376 HydrophobicContact CD1-CD1 3.99Å; L302-K379 HydrophobicContact CD1-CB 4.45Å; L302-K379 HydrophobicContact CD2-CB 3.92Å; L302-L380 HydrophobicContact CD1-CD2 3.47Å; L302-L380 VanDerWaalsContact CD1-CD2 3.47Å; L302-L380 HydrophobicContact CD1-CG 3.71Å
303G89.1Confident91.8Very high15 Ų1521 Ų2116%0.15512%0.122CC..Hα-helixtrans-56.9-37.2-168.200000114.2E299 A307E299-G303 PolarHBondContact O-N 2.97Å; G303-A307 WeakPolarHBondContact O-CB 3.29Å; G303-A307 PolarHBondContact O-N 3.31Å
304A90.6Very high92.1Very high10 Ų1017.5 Ų17.58%0.08311%0.106CC..Hα-helixtrans-71.6-45178.900000111L60 V62 L302 A307 A308L60-A304 HydrophobicContact CB-CB 4.15Å; L60-A304 WeakPolarHBondContact CD1-O 3.39Å; V62-A304 HydrophobicContact CG1-CB 4.35Å; V62-A304 HydrophobicContact CG2-CB 3.76Å; L302-A304 VanDerWaalsContact C-N 3.27Å; L302-A304 PolarHBondContact O-N 3.5Å; L302-A304 VanDerWaalsContact O-N 3.16Å; A304-A307 PolarHBondContact O-N 3.17Å; A304-A308 PolarHBondContact O-N 3.34Å
305E92.8Very high92.5Very high24 Ų2416 Ų1611%0.11210%0.099CC..Hα-helixtrans-61.5-45.7175.3-69.788162.100111.6I53 L302 A307 A308 M309 K379I53-E305 HydrophobicContact CG1-CB 4.32Å; I53-E305 HydrophobicContact CG1-CG 4.16Å; I53-E305 HydrophobicContact CG2-CG 4.43Å; L302-E305 PolarHBondContact O-N 3.1Å; L302-E305 VanDerWaalsContact O-N 3.12Å; E305-A307 VanDerWaalsContact C-N 3.31Å; E305-A307 PolarHBondContact O-N 2.93Å; E305-A308 CarbonylContact O-C 3.51Å; E305-A308 PolarHBondContact O-N 3.48Å; E305-A308 VanDerWaalsContact O-N 3.1Å; E305-M309 HydrophobicContact CB-CE 4.47Å; E305-M309 WeakPolarHBondContact O-CB 3.46Å; E305-M309 WeakPolarHBondContact O-CG 3.49Å; E305-M309 PolarHBondContact O-N 2.92Å; E305-K379 IonicContact OE1-NZ 3.74Å; E305-K379 PolarHBondContact OE1-NZ 3.25Å
306L93Very high92.8Very high1 Ų115.8 Ų15.81%0.00510%0.098CC..Hα-helixtrans-61-40.5177.4-72.8172.3000111.9E299 L302 A308 M309 G310 Q314 L317 L376E299-L306 HydrophobicContact CB-CD1 3.73Å; E299-L306 HydrophobicContact CG-CD1 3.85Å; L302-L306 HydrophobicContact CB-CD1 4.15Å; L302-L306 HydrophobicContact CB-CG 4.16Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 WeakPolarHBondContact O-CG 3.21Å; L302-L306 PolarHBondContact O-N 3.21Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-A308 PolarHBondContact O-N 3.32Å; L306-M309 PolarHBondContact O-N 3.21Å; L306-G310 PolarHBondContact O-N 2.87Å; L306-Q314 HydrophobicContact CD1-CG 4.41Å; L306-Q314 HydrophobicContact CD2-CB 4.42Å; L306-L317 HydrophobicContact CD1-CD2 4.37Å; L306-L317 HydrophobicContact CD2-CD2 4.03Å; L306-L376 HydrophobicContact CD2-CD1 3.83Å; L306-L376 HydrophobicContact CD2-CD2 4.27Å
307A90.6Very high92.9Very high47 Ų4715.6 Ų15.639%0.38810%0.097SC..Hα-helixtrans-63-38.9173.900000112.3L60 G303 A304 E305 G310L60-A307 HydrophobicContact CD1-CB 3.85Å; G303-A307 WeakPolarHBondContact O-CB 3.29Å; G303-A307 PolarHBondContact O-N 3.31Å; A304-A307 PolarHBondContact O-N 3.17Å; E305-A307 VanDerWaalsContact C-N 3.31Å; E305-A307 PolarHBondContact O-N 2.93Å; A307-G310 PolarHBondContact O-N 3.46Å
308A92.6Very high93.2Very high4 Ų413.1 Ų13.13%0.0339%0.085CC..Hα-helixtrans-71.3-32.317500000113.4P5 C6 I53 I56 L60 A304 E305 L306 G310P5-A308 WeakPolarHBondContact CA-O 3.27Å; C6-A308 PolarHBondContact N-O 3.45Å; C6-A308 PolarHBondContact SG-O 2.82Å; C6-A308 VanDerWaalsContact SG-O 3.4Å; I53-A308 HydrophobicContact CD1-CB 3.89Å; I56-A308 HydrophobicContact CG2-CB 4.01Å; L60-A308 HydrophobicContact CD1-CB 4.09Å; A304-A308 PolarHBondContact O-N 3.34Å; E305-A308 CarbonylContact O-C 3.51Å; E305-A308 PolarHBondContact O-N 3.48Å; E305-A308 VanDerWaalsContact O-N 3.1Å; L306-A308 VanDerWaalsContact C-N 3.34Å; L306-A308 PolarHBondContact O-N 3.32Å; A308-G310 VanDerWaalsContact C-N 3.32Å
309M94.4Very high93.5Very high0 Ų012 Ų120%08%0.081CC..Hα-helixtrans-77.8-14.3177.1-68.7-180-177.800113.3P5 I53 E305 L306 A313 T372 T375 L376P5-M309 VanDerWaalsContact CA-O 3.3Å; P5-M309 WeakPolarHBondContact CA-O 3.47Å; P5-M309 WeakPolarHBondContact CD-O 3.37Å; P5-M309 VanDerWaalsContact CG-O 3.26Å; P5-M309 WeakPolarHBondContact CG-O 3.43Å; I53-M309 HydrophobicContact CD1-CE 4.42Å; I53-M309 HydrophobicContact CD1-CG 4.12Å; I53-M309 HydrophobicContact CG1-CE 3.84Å; I53-M309 HydrophobicContact CG1-CG 4.49Å; E305-M309 HydrophobicContact CB-CE 4.47Å; E305-M309 WeakPolarHBondContact O-CB 3.46Å; E305-M309 WeakPolarHBondContact O-CG 3.49Å; E305-M309 PolarHBondContact O-N 2.92Å; L306-M309 PolarHBondContact O-N 3.21Å; M309-A313 HydrophobicContact CB-CB 3.81Å; M309-T372 HydrophobicContact CB-CG2 3.84Å; M309-T372 HydrophobicContact CG-CG2 3.77Å; M309-T372 HydrophobicContact SD-CG2 3.96Å; M309-T375 HydrophobicContact CE-CG2 4.2Å; M309-L376 HydrophobicContact CE-CB 4.05Å; M309-L376 HydrophobicContact SD-CB 3.86Å; M309-L376 HydrophobicContact SD-CD1 4.09Å; M309-L376 HydrophobicContact SD-CD2 4.49Å; M309-L376 HydrophobicContact SD-CG 4.36Å
310G92.8Very high93.6Very high6 Ų611.8 Ų11.86%0.0628%0.08CC..  trans89.7166.7172.600000114.8L306 A307 A308 M312 A313 Q314L306-G310 PolarHBondContact O-N 2.87Å; A307-G310 PolarHBondContact O-N 3.46Å; A308-G310 VanDerWaalsContact C-N 3.32Å; G310-M312 VanDerWaalsContact C-N 3.31Å; G310-M312 PolarHBondContact O-N 3.04Å; G310-A313 PolarHBondContact O-N 3.05Å; G310-Q314 PolarHBondContact O-N 3.03Å
311V93.4Very high93.5Very high4 Ų411.3 Ų11.32%0.0248%0.076CC..Hα-helixtrans-61.3-36.4-171.7174.80000112.4M2 D3 V230 Q314 L315 T463M2-V311 PolarHBondContact O-N 3.5Å; D3-V311 PolarHBondContact O-N 2.86Å; V230-V311 HydrophobicContact CB-CG1 4.12Å; V230-V311 HydrophobicContact CG1-CG1 4.03Å; V311-Q314 PolarHBondContact O-N 2.87Å; V311-L315 VanDerWaalsContact O-CB 3.32Å; V311-L315 WeakPolarHBondContact O-CB 3.41Å; V311-L315 PolarHBondContact O-N 3.11Å; V311-T463 HydrophobicContact CG1-CG2 4.45Å
312M94.9Very high93.6Very high7 Ų710.6 Ų10.63%0.0347%0.065CC..Hα-helixtrans-66.9-38.8179.8-71-178.8168.500112.4D3 L4 G310 A316 M430 L433 R434D3-M312 HydrophobicContact CB-CE 3.99Å; D3-M312 HydrophobicContact CB-CG 4.08Å; D3-M312 HydrophobicContact CB-SD 4.19Å; D3-M312 VanDerWaalsContact O-CB 3.28Å; D3-M312 WeakPolarHBondContact O-CB 3.47Å; D3-M312 WeakPolarHBondContact O-CG 3.47Å; D3-M312 PolarHBondContact O-N 3.25Å; L4-M312 HydrophobicContact CD2-SD 4.13Å; G310-M312 VanDerWaalsContact C-N 3.31Å; G310-M312 PolarHBondContact O-N 3.04Å; M312-A316 WeakPolarHBondContact O-CB 3.48Å; M312-A316 PolarHBondContact O-N 3.13Å; M312-M430 HydrophobicContact CB-CG 4.27Å; M312-L433 HydrophobicContact CB-CD1 4.29Å; M312-L433 HydrophobicContact CG-CB 4.26Å; M312-L433 VanDerWaalsContact O-CD1 3.31Å; M312-L433 WeakPolarHBondContact O-CD1 3.32Å; M312-R434 HydrophobicContact CE-CG 4.21Å; M312-R434 HydrophobicContact SD-CG 4.07Å
313A96.2Very high93.7Very high0 Ų010.5 Ų10.50%07%0.065CC..Hα-helixtrans-66.1-44.7177.400000111.1M309 G310 A316 L317 T372 M430M309-A313 HydrophobicContact CB-CB 3.81Å; G310-A313 PolarHBondContact O-N 3.05Å; A313-A316 PolarHBondContact O-N 2.84Å; A313-L317 PolarHBondContact O-N 2.8Å; A313-T372 HydrophobicContact CB-CG2 4.16Å; A313-M430 HydrophobicContact CB-CE 4.05Å; A313-M430 HydrophobicContact CB-SD 4.33Å
314Q95.9Very high93.6Very high18 Ų1810.3 Ų10.38%0.0846%0.063CC..Hα-helixtrans-63.3-45.7177-173.2175.77.100112V230 E299 L306 G310 V311 L317 R318V230-Q314 HydrophobicContact CG1-CB 4.48Å; V230-Q314 HydrophobicContact CG1-CG 4.27Å; V230-Q314 HydrophobicContact CG2-CB 4.3Å; V230-Q314 HydrophobicContact CG2-CG 3.91Å; E299-Q314 PolarHBondContact OE2-NE2 3.43Å; E299-Q314 VanDerWaalsContact OE2-NE2 3.07Å; L306-Q314 HydrophobicContact CD1-CG 4.41Å; L306-Q314 HydrophobicContact CD2-CB 4.42Å; G310-Q314 PolarHBondContact O-N 3.03Å; V311-Q314 PolarHBondContact O-N 2.87Å; Q314-L317 PolarHBondContact O-N 2.7Å; Q314-R318 WeakPolarHBondContact O-CB 3.43Å; Q314-R318 PolarHBondContact O-N 3.27Å
315L97.1Very high93.4Very high0 Ų010.4 Ų10.40%06%0.063CC..Hα-helixtrans-65.7-40.2179.2179.154.1000111.7V230 V311 L317 R318 V319 L433 T463V230-L315 HydrophobicContact CB-CB 4.39Å; V230-L315 HydrophobicContact CG2-CB 3.81Å; V230-L315 HydrophobicContact CG2-CD1 4.19Å; V311-L315 VanDerWaalsContact O-CB 3.32Å; V311-L315 WeakPolarHBondContact O-CB 3.41Å; V311-L315 PolarHBondContact O-N 3.11Å; L315-L317 PolarHBondContact O-N 2.99Å; L315-R318 PolarHBondContact O-N 2.74Å; L315-V319 HydrophobicContact CD1-CG2 4.09Å; L315-V319 HydrophobicContact CG-CG2 4.44Å; L315-V319 VanDerWaalsContact O-CG2 3.28Å; L315-V319 WeakPolarHBondContact O-CG2 3.38Å; L315-V319 PolarHBondContact O-N 3.42Å; L315-L433 HydrophobicContact CB-CD1 3.87Å; L315-L433 HydrophobicContact CD2-CD1 4.03Å; L315-L433 HydrophobicContact CD2-CD2 3.42Å; L315-L433 VanDerWaalsContact CD2-CD2 3.42Å; L315-L433 HydrophobicContact CD2-CG 4.39Å; L315-L433 HydrophobicContact CG-CD1 3.84Å; L315-L433 HydrophobicContact CG-CD2 3.88Å; L315-T463 HydrophobicContact CD2-CG2 3.83Å
316A97.7Very high93Very high0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-62.4-41.8176.100000112.4M312 A313 T320 V426 H429 M430 L433M312-A316 WeakPolarHBondContact O-CB 3.48Å; M312-A316 PolarHBondContact O-N 3.13Å; A313-A316 PolarHBondContact O-N 2.84Å; A316-T320 PolarHBondContact O-N 3.21Å; A316-T320 VanDerWaalsContact O-N 3.1Å; A316-T320 PolarHBondContact O-OG1 3.11Å; A316-V426 HydrophobicContact CB-CG1 4.01Å; A316-V426 WeakPolarHBondContact CB-O 3.31Å; A316-H429 HydrophobicContact CB-CB 3.92Å; A316-M430 HydrophobicContact CB-CB 3.82Å; A316-L433 HydrophobicContact CB-CD1 4.09Å
317L95.7Very high92.8Very high1 Ų115.1 Ų15.11%0.0059%0.085CC..Hα-helixtrans-59.7-49172.3177.261.1000110.7E299 L306 A313 Q314 L315 V319 T320 L321 L376 L380 V426E299-L317 HydrophobicContact CG-CD2 4.34Å; L306-L317 HydrophobicContact CD1-CD2 4.37Å; L306-L317 HydrophobicContact CD2-CD2 4.03Å; A313-L317 PolarHBondContact O-N 2.8Å; Q314-L317 PolarHBondContact O-N 2.7Å; L315-L317 PolarHBondContact O-N 2.99Å; L317-V319 PolarHBondContact O-N 2.95Å; L317-T320 WeakPolarHBondContact O-CB 3.49Å; L317-T320 PolarHBondContact O-N 3.34Å; L317-T320 VanDerWaalsContact O-N 3.1Å; L317-L321 HydrophobicContact CD1-CD1 3.97Å; L317-L321 HydrophobicContact CD1-CD2 4.45Å; L317-L321 HydrophobicContact CD1-CG 3.97Å; L317-L321 HydrophobicContact CD2-CD1 4.36Å; L317-L321 HydrophobicContact CG-CD1 3.78Å; L317-L321 HydrophobicContact CG-CG 4.23Å; L317-L321 WeakPolarHBondContact O-CG 3.39Å; L317-L321 PolarHBondContact O-N 3.09Å; L317-L376 HydrophobicContact CB-CD2 4.27Å; L317-L376 HydrophobicContact CD2-CD1 4.4Å; L317-L376 HydrophobicContact CD2-CD2 4.27Å; L317-L380 HydrophobicContact CD1-CD1 3.68Å; L317-L380 HydrophobicContact CD2-CD1 4.34Å; L317-V426 HydrophobicContact CD1-CG2 4.25Å
318R95.2Very high92.9Very high6 Ų612.9 Ų12.92%0.0237%0.067CC..Hα-helixtrans-62.8-41.5-178.3-162.7177.4-69.9-166.4-13.7113.2S228 W229 H295 E299 Q314 L315 T320 L321 K322S228-R318 VanDerWaalsContact OG-CD 3.28Å; S228-R318 WeakPolarHBondContact OG-CD 3.45Å; S228-R318 VanDerWaalsContact OG-CG 3.25Å; S228-R318 WeakPolarHBondContact OG-CG 3.39Å; W229-R318 PolarHBondContact O-NH1 3.44Å; H295-R318 HydrophobicContact CB-CG 3.79Å; H295-R318 PolarHBondContact CD2-NE 3.29Å; H295-R318 VanDerWaalsContact CD2-NE 3.29Å; H295-R318 PolarHBondContact NE2-NE 2.9Å; H295-R318 PolarHBondContact NE2-NH2 2.81Å; E299-R318 IonicContact OE1-CZ 2.81Å; E299-R318 IonicContact OE1-NE 2.94Å; E299-R318 PolarHBondContact OE1-NE 2.77Å; E299-R318 IonicContact OE1-NH2 2.87Å; E299-R318 PolarHBondContact OE1-NH2 3.29Å; E299-R318 IonicContact OE2-CZ 3.88Å; E299-R318 IonicContact OE2-NE 2.8Å; E299-R318 IonicContact OE2-NH2 3.86Å; E299-R318 PolarHBondContact OE2-NH2 2.91Å; Q314-R318 WeakPolarHBondContact O-CB 3.43Å; Q314-R318 PolarHBondContact O-N 3.27Å; L315-R318 PolarHBondContact O-N 2.74Å; R318-T320 VanDerWaalsContact C-N 3.3Å; R318-T320 PolarHBondContact O-N 3.16Å; R318-L321 PolarHBondContact O-N 3.09Å; R318-K322 VanDerWaalsContact O-CB 3.25Å; R318-K322 WeakPolarHBondContact O-CB 3.28Å; R318-K322 PolarHBondContact O-N 3Å
319V96.3Very high92.6Very high0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-57.7-45.7172.2169.90000110F227 L315 L317 A323 Y348 V351 H429 M465F227-V319 HydrophobicContact CD1-CB 4.4Å; F227-V319 HydrophobicContact CD1-CG1 3.94Å; F227-V319 HydrophobicContact CD1-CG2 4.23Å; F227-V319 HydrophobicContact CE1-CB 4.39Å; F227-V319 HydrophobicContact CE1-CG1 3.86Å; F227-V319 WeakPolarHBondContact CE1-O 3.38Å; L315-V319 HydrophobicContact CD1-CG2 4.09Å; L315-V319 HydrophobicContact CG-CG2 4.44Å; L315-V319 VanDerWaalsContact O-CG2 3.28Å; L315-V319 WeakPolarHBondContact O-CG2 3.38Å; L315-V319 PolarHBondContact O-N 3.42Å; L317-V319 PolarHBondContact O-N 2.95Å; V319-A323 VanDerWaalsContact O-CB 3.26Å; V319-A323 WeakPolarHBondContact O-CB 3.2Å; V319-A323 PolarHBondContact O-N 2.87Å; V319-Y348 HydrophobicContact CG1-CE2 4.14Å; V319-V351 HydrophobicContact CG1-CG1 4.03Å; V319-H429 HydrophobicContact CG1-CB 4.47Å; V319-M465 HydrophobicContact CG2-CB 4.46Å
320T94.6Very high92.3Very high0 Ų019.7 Ų19.70%09%0.093CC..Hα-helixtrans-66.3-45.2-179.3-51.40000112.1A316 L317 R318 A323 G324 I328 W390 V422 A425 V426 H429A316-T320 PolarHBondContact O-N 3.21Å; A316-T320 VanDerWaalsContact O-N 3.1Å; A316-T320 PolarHBondContact O-OG1 3.11Å; L317-T320 WeakPolarHBondContact O-CB 3.49Å; L317-T320 PolarHBondContact O-N 3.34Å; L317-T320 VanDerWaalsContact O-N 3.1Å; R318-T320 VanDerWaalsContact C-N 3.3Å; R318-T320 PolarHBondContact O-N 3.16Å; T320-A323 PolarHBondContact O-N 3.34Å; T320-G324 PolarHBondContact O-N 3.38Å; T320-I328 HydrophobicContact CG2-CD1 3.6Å; T320-W390 HydrophobicContact CG2-CH2 4.49Å; T320-V422 HydrophobicContact CG2-CG1 3.82Å; T320-A425 HydrophobicContact CG2-CB 3.86Å; T320-V426 HydrophobicContact CG2-CG2 3.96Å; T320-V426 WeakPolarHBondContact OG1-CG2 3.34Å; T320-H429 PolarHBondContact OG1-CD2 2.87Å
321L90.9Very high92.1Very high8 Ų819.4 Ų19.44%0.0429%0.091CC..Hα-helixtrans-61.3-47.1178.1-70.6173.1000111.4H295 W298 L317 R318 A323 G324 L386 W390H295-L321 HydrophobicContact CB-CB 4.42Å; H295-L321 HydrophobicContact CB-CD1 4.2Å; W298-L321 HydrophobicContact CB-CD1 4.11Å; W298-L321 HydrophobicContact CD2-CD1 4.42Å; W298-L321 HydrophobicContact CD2-CD2 4.06Å; W298-L321 HydrophobicContact CE3-CD1 3.96Å; W298-L321 HydrophobicContact CE3-CD2 4Å; W298-L321 HydrophobicContact CE3-CG 4.43Å; W298-L321 HydrophobicContact CG-CD2 4.36Å; L317-L321 HydrophobicContact CD1-CD1 3.97Å; L317-L321 HydrophobicContact CD1-CD2 4.45Å; L317-L321 HydrophobicContact CD1-CG 3.97Å; L317-L321 HydrophobicContact CD2-CD1 4.36Å; L317-L321 HydrophobicContact CG-CD1 3.78Å; L317-L321 HydrophobicContact CG-CG 4.23Å; L317-L321 WeakPolarHBondContact O-CG 3.39Å; L317-L321 PolarHBondContact O-N 3.09Å; R318-L321 PolarHBondContact O-N 3.09Å; L321-A323 PolarHBondContact O-N 2.73Å; L321-G324 PolarHBondContact O-N 2.68Å; L321-L386 HydrophobicContact CD2-CD2 4.4Å; L321-W390 HydrophobicContact CD2-CH2 4.07Å; L321-W390 HydrophobicContact CD2-CZ2 4.34Å
322K91.8Very high91.8Very high64 Ų6420 Ų2028%0.2789%0.092SC..Hα-helixtrans-63.9-39177.6-179175.8-173.4141.30113F227 E294 R318F227-K322 HydrophobicContact CD1-CD 4.25Å; F227-K322 HydrophobicContact CE1-CB 4.12Å; F227-K322 HydrophobicContact CE1-CD 3.96Å; F227-K322 HydrophobicContact CE1-CG 4.06Å; F227-K322 HydrophobicContact CZ-CB 4.39Å; F227-K322 HydrophobicContact CZ-CD 4.15Å; F227-K322 HydrophobicContact CZ-CG 4Å; F227-K322 WeakPolarHBondContact O-CD 3.41Å; F227-K322 WeakPolarHBondContact O-CE 3.4Å; F227-K322 PolarHBondContact O-NZ 2.86Å; E294-K322 HydrophobicContact CG-CB 4.19Å; E294-K322 HydrophobicContact CG-CG 4.09Å; E294-K322 IonicContact OE1-NZ 3.43Å; E294-K322 VanDerWaalsContact OE2-CD 3.29Å; E294-K322 WeakPolarHBondContact OE2-CD 3.27Å; E294-K322 WeakPolarHBondContact OE2-CE 3.39Å; E294-K322 IonicContact OE2-NZ 3.72Å; E294-K322 PolarHBondContact OE2-NZ 2.9Å; R318-K322 VanDerWaalsContact O-CB 3.25Å; R318-K322 WeakPolarHBondContact O-CB 3.28Å; R318-K322 PolarHBondContact O-N 3Å
323A92.1Very high91.2Very high5 Ų524.9 Ų24.94%0.04112%0.115CC..Hα-helixtrans-63.5-43.6179.500000112.1F227 V319 T320 L321 N327 I328 Y348F227-A323 HydrophobicContact CE1-CB 4.45Å; F227-A323 HydrophobicContact CZ-CB 4.11Å; V319-A323 VanDerWaalsContact O-CB 3.26Å; V319-A323 WeakPolarHBondContact O-CB 3.2Å; V319-A323 PolarHBondContact O-N 2.87Å; T320-A323 PolarHBondContact O-N 3.34Å; L321-A323 PolarHBondContact O-N 2.73Å; A323-N327 WeakPolarHBondContact O-CB 3.3Å; A323-N327 PolarHBondContact O-ND2 3.28Å; A323-I328 HydrophobicContact CB-CG1 4.39Å; A323-Y348 HydrophobicContact CB-CD1 3.92Å; A323-Y348 HydrophobicContact CB-CD2 3.32Å; A323-Y348 HydrophobicContact CB-CE1 3.81Å; A323-Y348 HydrophobicContact CB-CE2 3.21Å; A323-Y348 HydrophobicContact CB-CG 3.66Å; A323-Y348 VanDerWaalsContact CB-CZ 3.45Å
324G88.4Confident90Very high11 Ų1127.9 Ų27.911%0.11313%0.133CC..  trans79.2153.3-17500000114.2T320 L321 E326 N327 I328 W390T320-G324 PolarHBondContact O-N 3.38Å; L321-G324 PolarHBondContact O-N 2.68Å; G324-E326 VanDerWaalsContact C-N 3.34Å; G324-E326 PolarHBondContact O-N 3.3Å; G324-N327 PolarHBondContact O-N 2.98Å; G324-I328 WeakPolarHBondContact O-CD1 3.41Å; G324-I328 WeakPolarHBondContact O-CG1 3.38Å; G324-I328 PolarHBondContact O-N 3.35Å; G324-I328 VanDerWaalsContact O-N 3.15Å; G324-W390 VanDerWaalsContact CA-NE1 3.3Å
325I85.1Confident88.3Confident13 Ų1331.3 Ų31.37%0.06715%0.151CC..Hα-helixtrans-61-38.7-172.3-162.452.9000113N327 I328 H329 W390 V421 V422I325-N327 PolarHBondContact O-N 3.46Å; I325-I328 WeakPolarHBondContact O-CB 3.39Å; I325-I328 PolarHBondContact O-N 2.71Å; I325-H329 PolarHBondContact O-CD2 2.79Å; I325-H329 PolarHBondContact O-N 3.17Å; I325-W390 HydrophobicContact CB-CB 4.21Å; I325-W390 HydrophobicContact CB-CD2 3.9Å; I325-W390 HydrophobicContact CB-CE3 3.99Å; I325-W390 HydrophobicContact CB-CG 4Å; I325-W390 HydrophobicContact CG2-CB 3.65Å; I325-W390 HydrophobicContact CG2-CD2 4.24Å; I325-W390 HydrophobicContact CG2-CG 3.79Å; I325-V421 HydrophobicContact CD1-CB 4.35Å; I325-V421 HydrophobicContact CD1-CG1 4.08Å; I325-V422 HydrophobicContact CD1-CG2 3.91Å
326E85.6Confident86.3Confident93 Ų9338.8 Ų38.844%0.43518%0.18SC..Hα-helixtrans-61.4-44.3179.9-64.7-175.3170.600112.4G324 I328 H329 R330G324-E326 VanDerWaalsContact C-N 3.34Å; G324-E326 PolarHBondContact O-N 3.3Å; E326-I328 VanDerWaalsContact C-N 3.34Å; E326-H329 PolarHBondContact O-N 3.43Å; E326-R330 WeakPolarHBondContact O-CB 3.28Å; E326-R330 PolarHBondContact O-N 2.81Å
327N88.7Confident83.8Confident30 Ų3044.5 Ų44.516%0.1621%0.21CC..Hα-helixtrans-69.7-34.5178.1-72.5-45.9000111.3A323 G324 I325 R330 A331 N346 Y348A323-N327 WeakPolarHBondContact O-CB 3.3Å; A323-N327 PolarHBondContact O-ND2 3.28Å; G324-N327 PolarHBondContact O-N 2.98Å; I325-N327 PolarHBondContact O-N 3.46Å; N327-R330 PolarHBondContact O-N 2.91Å; N327-A331 VanDerWaalsContact O-CB 3.3Å; N327-A331 WeakPolarHBondContact O-CB 3.45Å; N327-A331 PolarHBondContact O-N 3.29Å; N327-N346 PolarHBondContact OD1-ND2 2.98Å; N327-Y348 HydrophobicContact CB-CD1 3.74Å; N327-Y348 HydrophobicContact CB-CE1 4.22Å
328I90.9Very high81.5Confident0 Ų053 Ų530%025%0.25CC..Hα-helixtrans-61.7-47.7172.6-64.6161000110.4T320 A323 G324 I325 E326 R330 A331 R332 Y348 V421 A425T320-I328 HydrophobicContact CG2-CD1 3.6Å; A323-I328 HydrophobicContact CB-CG1 4.39Å; G324-I328 WeakPolarHBondContact O-CD1 3.41Å; G324-I328 WeakPolarHBondContact O-CG1 3.38Å; G324-I328 PolarHBondContact O-N 3.35Å; G324-I328 VanDerWaalsContact O-N 3.15Å; I325-I328 WeakPolarHBondContact O-CB 3.39Å; I325-I328 PolarHBondContact O-N 2.71Å; E326-I328 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.08Å; I328-A331 PolarHBondContact O-N 2.85Å; I328-R332 HydrophobicContact CG2-CG 4.47Å; I328-R332 WeakPolarHBondContact O-CB 3.16Å; I328-R332 WeakPolarHBondContact O-CD 3.37Å; I328-R332 WeakPolarHBondContact O-CG 3.32Å; I328-R332 PolarHBondContact O-N 3.49Å; I328-Y348 HydrophobicContact CG1-CE1 4.04Å; I328-Y348 VanDerWaalsContact CG1-OH 3.31Å; I328-Y348 WeakPolarHBondContact CG1-OH 3.17Å; I328-V421 HydrophobicContact CG2-CG1 3.55Å; I328-A425 HydrophobicContact CD1-CB 4.16Å; I328-A425 HydrophobicContact CG1-CB 4.36Å; I328-A425 HydrophobicContact CG2-CB 3.99Å
329H87.7Confident79.3Confident41 Ų4161.4 Ų61.419%0.1929%0.289CS..Hα-helixtrans-61.8-44.8176.7-80.1-74.5000112.2I325 E326 A331 R332 Q333I325-H329 PolarHBondContact O-CD2 2.79Å; I325-H329 PolarHBondContact O-N 3.17Å; E326-H329 PolarHBondContact O-N 3.43Å; H329-A331 VanDerWaalsContact C-N 3.35Å; H329-A331 PolarHBondContact O-N 3.44Å; H329-R332 PolarHBondContact O-N 3.23Å; H329-Q333 WeakPolarHBondContact O-CG 3.45Å; H329-Q333 PolarHBondContact O-N 2.93Å
330R87.3Confident76.6Confident107 Ų10771.1 Ų71.140%0.40433%0.331SS..Hα-helixtrans-58.3-46.8176.8-170-177.5-58.1170.16.9111.5E326 N327 I328 R332 Q333 T334 M349E326-R330 WeakPolarHBondContact O-CB 3.28Å; E326-R330 PolarHBondContact O-N 2.81Å; N327-R330 PolarHBondContact O-N 2.91Å; I328-R330 PolarHBondContact O-N 3.08Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 3.28Å; R330-Q333 PolarHBondContact O-N 3.37Å; R330-Q333 VanDerWaalsContact O-N 3.15Å; R330-T334 PolarHBondContact O-N 2.96Å; R330-T334 VanDerWaalsContact O-N 3.11Å; R330-T334 PolarHBondContact O-OG1 3.44Å; R330-M349 HydrophobicContact CG-SD 4.36Å
331A88.4Confident74.2Confident0 Ų080.8 Ų80.80%037%0.374CS..Hα-helixtrans-65.5-32.4178.500000112.9N327 I328 H329 T334 Y348 M349 F352N327-A331 VanDerWaalsContact O-CB 3.3Å; N327-A331 WeakPolarHBondContact O-CB 3.45Å; N327-A331 PolarHBondContact O-N 3.29Å; I328-A331 PolarHBondContact O-N 2.85Å; H329-A331 VanDerWaalsContact C-N 3.35Å; H329-A331 PolarHBondContact O-N 3.44Å; A331-T334 PolarHBondContact O-OG1 2.91Å; A331-Y348 HydrophobicContact CB-CE1 4.14Å; A331-M349 HydrophobicContact CB-CE 3.93Å; A331-M349 HydrophobicContact CB-SD 3.68Å; A331-F352 HydrophobicContact CB-CB 3.84Å; A331-F352 HydrophobicContact CB-CD1 3.36Å; A331-F352 HydrophobicContact CB-CD2 4.01Å; A331-F352 HydrophobicContact CB-CE1 3.8Å; A331-F352 HydrophobicContact CB-CE2 4.41Å; A331-F352 HydrophobicContact CB-CG 3.46Å; A331-F352 VanDerWaalsContact CB-CG 3.46Å; A331-F352 HydrophobicContact CB-CZ 4.33Å; A331-F352 WeakPolarHBondContact O-CE1 3.37Å
332R87.4Confident72Confident17 Ų1784.8 Ų84.86%0.06440%0.402CS..Hα-helixtrans-72.5-28.3173.5-69.3165.268.677.57.7113D35 I328 H329 R330 R336 F352D35-R332 IonicContact OD1-CZ 2.8Å; D35-R332 IonicContact OD1-NH1 2.64Å; D35-R332 PolarHBondContact OD1-NH1 3.49Å; D35-R332 IonicContact OD1-NH2 3.52Å; D35-R332 PolarHBondContact OD1-NH2 3.02Å; D35-R332 IonicContact OD2-CZ 3.55Å; D35-R332 IonicContact OD2-NH1 3.56Å; D35-R332 PolarHBondContact OD2-NH1 3.36Å; D35-R332 IonicContact OD2-NH2 3.43Å; D35-R332 PolarHBondContact OD2-NH2 3.45Å; I328-R332 HydrophobicContact CG2-CG 4.47Å; I328-R332 WeakPolarHBondContact O-CB 3.16Å; I328-R332 WeakPolarHBondContact O-CD 3.37Å; I328-R332 WeakPolarHBondContact O-CG 3.32Å; I328-R332 PolarHBondContact O-N 3.49Å; H329-R332 PolarHBondContact O-N 3.23Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 3.28Å; R332-R336 PolarHBondContact O-NH2 2.95Å; R332-F352 HydrophobicContact CG-CE1 4.16Å; R332-F352 HydrophobicContact CG-CE2 4.32Å; R332-F352 HydrophobicContact CG-CZ 3.52Å
333Q82Confident69.8Low109 Ų10989.7 Ų89.751%0.50943%0.431SS..Hα-helixtrans-76.2-37.2176.5-73.5171.8-3.900111.9H329 R330 I335 R336 D337H329-Q333 WeakPolarHBondContact O-CG 3.45Å; H329-Q333 PolarHBondContact O-N 2.93Å; R330-Q333 PolarHBondContact O-N 3.37Å; R330-Q333 VanDerWaalsContact O-N 3.15Å; Q333-I335 PolarHBondContact O-N 3.24Å; Q333-R336 WeakPolarHBondContact O-CA 3.47Å; Q333-R336 PolarHBondContact O-N 3.22Å; Q333-D337 PolarHBondContact O-N 3.36Å
334T71.3Confident68.1Low62 Ų6295.5 Ų95.538%0.3846%0.457SS..Hα-helixtrans-64.9-19.9176.149.10000114R330 A331 R336 M349 H353R330-T334 PolarHBondContact O-N 2.96Å; R330-T334 VanDerWaalsContact O-N 3.11Å; R330-T334 PolarHBondContact O-OG1 3.44Å; A331-T334 PolarHBondContact O-OG1 2.91Å; T334-R336 VanDerWaalsContact C-N 3.33Å; T334-M349 HydrophobicContact CG2-CE 3.65Å; T334-M349 VanDerWaalsContact OG1-CE 3.28Å; T334-M349 WeakPolarHBondContact OG1-CE 2.99Å; T334-H353 PolarHBondContact OG1-CE1 3.45Å; T334-H353 VanDerWaalsContact OG1-CE1 3.25Å; T334-H353 PolarHBondContact OG1-NE2 3.36Å
335I60.4Low67.1Low91 Ų91101.6 Ų101.647%0.46748%0.478SS..THydrogen-bonded Turntrans-71.5-29.8169.6-67179.7000111.4Q333 F352Q333-I335 PolarHBondContact O-N 3.24Å; I335-F352 HydrophobicContact CD1-CD1 4.31Å; I335-F352 HydrophobicContact CD1-CE1 3.56Å; I335-F352 HydrophobicContact CD1-CZ 4.46Å; I335-F352 HydrophobicContact CG1-CE1 4.42Å
336R54.2Low66.7Low157 Ų157102.4 Ų102.459%0.59248%0.483SS*.THydrogen-bonded Turntrans-90.9-33-175.6-75.2-174.4-88.9-94.20.3113.4R332 Q333 T334R332-R336 PolarHBondContact O-NH2 2.95Å; Q333-R336 WeakPolarHBondContact O-CA 3.47Å; Q333-R336 PolarHBondContact O-N 3.22Å; T334-R336 VanDerWaalsContact C-N 3.33Å
337D46.7Very low66.6Low119 Ų11999.7 Ų99.764%0.63647%0.473SS*.SBendtrans-111.1104.6179.8-66-24.3000109.7Q333 Q339Q333-D337 PolarHBondContact O-N 3.36Å; D337-Q339 PolarHBondContact O-N 2.98Å; D337-Q339 VanDerWaalsContact O-N 3.14Å
338E46.4Very low66.6Low181 Ų18198.3 Ų98.385%0.84647%0.465SS*.SBendtrans-60.8117.2165.3-72.1-172.8163.100108.6
339Q49.2Very low66.5Low182 Ų18299.9 Ų99.985%0.8547%0.473SS*.  trans74.393.2167.1-60164.5-22.300117.8D337D337-Q339 PolarHBondContact O-N 2.98Å; D337-Q339 VanDerWaalsContact O-N 3.14Å
340K40.6Very low66.4Low203 Ų20399.8 Ų99.888%0.88348%0.476SS*.  trans-134.5115.1134.2-84.6-176.7-179.9168.90109.7S342K340-S342 PolarHBondContact O-N 2.88Å
341K43.1Very low66.6Low204 Ų20494.7 Ų94.789%0.88746%0.457SS*.  trans-65.3111.7171.5-76.5-178.6176.1-179.90108.5
342S44.8Very low66.8Low91 Ų9194.7 Ų94.764%0.63646%0.457SS*.  trans-89.3128.7158.91790000107.5K340 Q344K340-S342 PolarHBondContact O-N 2.88Å; S342-Q344 PolarHBondContact O-N 3.26Å
343D46.7Very low66.8Low168 Ų16898 Ų9890%0.89847%0.473SS*.SBendtrans-72.47.2-174.3-73.9-32.2000114.4
344Q56.3Low67.2Low126 Ų12693.4 Ų93.459%0.58945%0.451SS*.SBendtrans-116112.6-177.6-159.3167.547.600111.5S342 N346 L506S342-Q344 PolarHBondContact O-N 3.26Å; Q344-N346 PolarHBondContact O-N 2.75Å; Q344-L506 HydrophobicContact CG-CD1 3.49Å; Q344-L506 VanDerWaalsContact CG-CD1 3.49Å
345Y66.3Low67.9Low139 Ų13995.2 Ų95.255%0.54546%0.458SS..  trans-58.3120.3174.5176.5-104.1000110.4P347 L506Y345-P347 HydrophobicContact CE1-CB 4.11Å; Y345-L506 WeakPolarHBondContact O-CD2 3.22Å
346N77.7Confident69.2Low31 Ų3192.6 Ų92.617%0.16644%0.444CS..  trans-118.8110.8174.1179.8-15.1000109.1N327 Q344 Y348 M349N327-N346 PolarHBondContact OD1-ND2 2.98Å; Q344-N346 PolarHBondContact O-N 2.75Å; N346-Y348 PolarHBondContact O-N 3.41Å; N346-Y348 VanDerWaalsContact O-N 3.15Å; N346-Y348 VanDerWaalsContact OD1-CB 3.29Å; N346-Y348 WeakPolarHBondContact OD1-CB 3.26Å; N346-Y348 PolarHBondContact OD1-N 3.11Å; N346-M349 HydrophobicContact CB-CG 3.74Å; N346-M349 WeakPolarHBondContact O-CB 3.12Å; N346-M349 PolarHBondContact O-N 3.46Å
347P82.3Confident70.7Confident35 Ų3587.9 Ų87.923%0.22743%0.429CS..Hα-helixtrans-62.5-24.6-175.825.7-34.5000113F227 Y345 M349 T350 V351 P467F227-P347 HydrophobicContact CD2-CB 4.32Å; F227-P347 HydrophobicContact CD2-CG 4.32Å; F227-P347 HydrophobicContact CE2-CG 4.48Å; Y345-P347 HydrophobicContact CE1-CB 4.11Å; P347-M349 VanDerWaalsContact C-N 3.31Å; P347-M349 PolarHBondContact O-N 2.75Å; P347-T350 PolarHBondContact O-N 3.41Å; P347-V351 WeakPolarHBondContact O-CG2 3.32Å; P347-V351 PolarHBondContact O-N 2.9Å; P347-P467 HydrophobicContact CB-CG 4.04Å
348Y90.1Very high72.4Confident1 Ų182.8 Ų82.80%0.00440%0.402CS..Hα-helixtrans-66.1-34.6174.9-178.7-111.5000112.4F227 V319 A323 N327 I328 A331 N346 T350 V351 F352 H429F227-Y348 AromaticContact CE1-CD2 3.92Å; F227-Y348 HydrophobicContact CE1-CD2 3.92Å; F227-Y348 HydrophobicContact CE2-CD2 4.17Å; F227-Y348 HydrophobicContact CE2-CG 4.4Å; F227-Y348 AromaticContact CZ-CD2 3.61Å; F227-Y348 HydrophobicContact CZ-CD2 3.61Å; F227-Y348 HydrophobicContact CZ-CG 4.12Å; V319-Y348 HydrophobicContact CG1-CE2 4.14Å; A323-Y348 HydrophobicContact CB-CD1 3.92Å; A323-Y348 HydrophobicContact CB-CD2 3.32Å; A323-Y348 HydrophobicContact CB-CE1 3.81Å; A323-Y348 HydrophobicContact CB-CE2 3.21Å; A323-Y348 HydrophobicContact CB-CG 3.66Å; A323-Y348 VanDerWaalsContact CB-CZ 3.45Å; N327-Y348 HydrophobicContact CB-CD1 3.74Å; N327-Y348 HydrophobicContact CB-CE1 4.22Å; I328-Y348 HydrophobicContact CG1-CE1 4.04Å; I328-Y348 VanDerWaalsContact CG1-OH 3.31Å; I328-Y348 WeakPolarHBondContact CG1-OH 3.17Å; A331-Y348 HydrophobicContact CB-CE1 4.14Å; N346-Y348 PolarHBondContact O-N 3.41Å; N346-Y348 VanDerWaalsContact O-N 3.15Å; N346-Y348 VanDerWaalsContact OD1-CB 3.29Å; N346-Y348 WeakPolarHBondContact OD1-CB 3.26Å; N346-Y348 PolarHBondContact OD1-N 3.11Å; Y348-T350 VanDerWaalsContact C-N 3.26Å; Y348-T350 PolarHBondContact O-N 3.44Å; Y348-V351 HydrophobicContact CD2-CB 4.5Å; Y348-V351 PolarHBondContact O-N 2.88Å; Y348-V351 VanDerWaalsContact O-N 3.17Å; Y348-F352 HydrophobicContact CE1-CB 4.21Å; Y348-F352 HydrophobicContact CE1-CD2 4.1Å; Y348-F352 HydrophobicContact CE1-CG 4.45Å; Y348-F352 AromaticContact CZ-CD2 3.82Å; Y348-F352 WeakPolarHBondContact O-CB 3.43Å; Y348-F352 PolarHBondContact O-N 2.91Å; Y348-F352 VanDerWaalsContact OH-CD2 3.3Å; Y348-F352 WeakPolarHBondContact OH-CD2 3.37Å; Y348-H429 AromaticContact CE2-CE1 3.66Å; Y348-H429 AromaticContact CE2-NE2 3.39Å; Y348-H429 WeakPolarHBondContact CE2-NE2 3.19Å; Y348-H429 AromaticContact CZ-CE1 3.98Å; Y348-H429 AromaticContact CZ-NE2 3.57Å; Y348-H429 PolarHBondContact OH-NE2 3.09Å
349M87.3Confident74.1Confident34 Ų3481.3 Ų81.317%0.16740%0.395CS..Hα-helixtrans-61.6-40.1178.5-60.3-63.8-60.900110.4R330 A331 T334 N346 P347 F352 H353R330-M349 HydrophobicContact CG-SD 4.36Å; A331-M349 HydrophobicContact CB-CE 3.93Å; A331-M349 HydrophobicContact CB-SD 3.68Å; T334-M349 HydrophobicContact CG2-CE 3.65Å; T334-M349 VanDerWaalsContact OG1-CE 3.28Å; T334-M349 WeakPolarHBondContact OG1-CE 2.99Å; N346-M349 HydrophobicContact CB-CG 3.74Å; N346-M349 WeakPolarHBondContact O-CB 3.12Å; N346-M349 PolarHBondContact O-N 3.46Å; P347-M349 VanDerWaalsContact C-N 3.31Å; P347-M349 PolarHBondContact O-N 2.75Å; M349-F352 PolarHBondContact O-N 2.77Å; M349-H353 PolarHBondContact O-N 2.94Å; M349-H353 PolarHBondContact O-ND1 2.84Å
350T86.4Confident75.9Confident39 Ų3978 Ų7824%0.23938%0.379CS..Hα-helixtrans-62.4-49.8174-50.90000110.7P347 Y348 F352 H353 L354 P467P347-T350 PolarHBondContact O-N 3.41Å; Y348-T350 VanDerWaalsContact C-N 3.26Å; Y348-T350 PolarHBondContact O-N 3.44Å; T350-F352 VanDerWaalsContact C-N 3.32Å; T350-F352 PolarHBondContact O-N 3.34Å; T350-H353 PolarHBondContact O-N 3.5Å; T350-L354 WeakPolarHBondContact O-CG 3.38Å; T350-L354 PolarHBondContact O-N 2.89Å; T350-P467 HydrophobicContact CG2-CB 4.05Å; T350-P467 WeakPolarHBondContact CG2-O 3.47Å
351V91.8Very high78.1Confident0 Ų068.8 Ų68.80%034%0.339CS..Hα-helixtrans-57.3-44.1178.4172.80000112F227 V319 P347 Y348 H353 L354 Q432 M465 P467F227-V351 HydrophobicContact CB-CG2 3.88Å; F227-V351 HydrophobicContact CD2-CG2 4.47Å; F227-V351 HydrophobicContact CG-CG2 4.07Å; V319-V351 HydrophobicContact CG1-CG1 4.03Å; P347-V351 WeakPolarHBondContact O-CG2 3.32Å; P347-V351 PolarHBondContact O-N 2.9Å; Y348-V351 HydrophobicContact CD2-CB 4.5Å; Y348-V351 PolarHBondContact O-N 2.88Å; Y348-V351 VanDerWaalsContact O-N 3.17Å; V351-H353 VanDerWaalsContact C-N 3.27Å; V351-H353 PolarHBondContact O-N 3.39Å; V351-L354 WeakPolarHBondContact O-CB 3.28Å; V351-L354 PolarHBondContact O-N 3.28Å; V351-Q432 PolarHBondContact O-NE2 2.71Å; V351-Q432 PolarHBondContact O-OE1 3.34Å; V351-M465 HydrophobicContact CG1-CE 4.32Å; V351-M465 HydrophobicContact CG1-CG 3.84Å; V351-M465 HydrophobicContact CG2-CG 4.08Å; V351-P467 HydrophobicContact CG2-CB 4.04Å; V351-P467 HydrophobicContact CG2-CG 3.79Å
352F92.3Very high80.2Confident0 Ų062.3 Ų62.30%032%0.319CS..Hα-helixtrans-64.2-32.2-177.8-170.4-96.4000113A331 R332 I335 Y348 M349 T350 R428 Q432A331-F352 HydrophobicContact CB-CB 3.84Å; A331-F352 HydrophobicContact CB-CD1 3.36Å; A331-F352 HydrophobicContact CB-CD2 4.01Å; A331-F352 HydrophobicContact CB-CE1 3.8Å; A331-F352 HydrophobicContact CB-CE2 4.41Å; A331-F352 HydrophobicContact CB-CG 3.46Å; A331-F352 VanDerWaalsContact CB-CG 3.46Å; A331-F352 HydrophobicContact CB-CZ 4.33Å; A331-F352 WeakPolarHBondContact O-CE1 3.37Å; R332-F352 HydrophobicContact CG-CE1 4.16Å; R332-F352 HydrophobicContact CG-CE2 4.32Å; R332-F352 HydrophobicContact CG-CZ 3.52Å; I335-F352 HydrophobicContact CD1-CD1 4.31Å; I335-F352 HydrophobicContact CD1-CE1 3.56Å; I335-F352 HydrophobicContact CD1-CZ 4.46Å; I335-F352 HydrophobicContact CG1-CE1 4.42Å; Y348-F352 HydrophobicContact CE1-CB 4.21Å; Y348-F352 HydrophobicContact CE1-CD2 4.1Å; Y348-F352 HydrophobicContact CE1-CG 4.45Å; Y348-F352 AromaticContact CZ-CD2 3.82Å; Y348-F352 WeakPolarHBondContact O-CB 3.43Å; Y348-F352 PolarHBondContact O-N 2.91Å; Y348-F352 VanDerWaalsContact OH-CD2 3.3Å; Y348-F352 WeakPolarHBondContact OH-CD2 3.37Å; M349-F352 PolarHBondContact O-N 2.77Å; T350-F352 VanDerWaalsContact C-N 3.32Å; T350-F352 PolarHBondContact O-N 3.34Å; F352-R428 VanDerWaalsContact CE2-CD 3.47Å; F352-Q432 PolarHBondContact O-NE2 3.27Å
353H87.8Confident82.4Confident87 Ų8761.1 Ų61.140%0.40331%0.305SS..THydrogen-bonded Turntrans-92.92.3-179.5-63.6110000114.3T334 M349 T350 V351T334-H353 PolarHBondContact OG1-CE1 3.45Å; T334-H353 VanDerWaalsContact OG1-CE1 3.25Å; T334-H353 PolarHBondContact OG1-NE2 3.36Å; M349-H353 PolarHBondContact O-N 2.94Å; M349-H353 PolarHBondContact O-ND1 2.84Å; T350-H353 PolarHBondContact O-N 3.5Å; V351-H353 VanDerWaalsContact C-N 3.27Å; V351-H353 PolarHBondContact O-N 3.39Å
354L89.3Confident84.5Confident11 Ų1157.4 Ų57.46%0.05829%0.293CS..SBendtrans-60.2144.2172.1-67.4176.4000111T350 V351 Q356 Q432 N436 M465T350-L354 WeakPolarHBondContact O-CG 3.38Å; T350-L354 PolarHBondContact O-N 2.89Å; V351-L354 WeakPolarHBondContact O-CB 3.28Å; V351-L354 PolarHBondContact O-N 3.28Å; L354-Q356 PolarHBondContact O-N 3.2Å; L354-Q356 PolarHBondContact O-OE1 2.92Å; L354-Q432 PolarHBondContact O-NE2 3.28Å; L354-N436 HydrophobicContact CD1-CB 3.93Å; L354-M465 HydrophobicContact CD1-SD 3.8Å
355L87.2Confident86.1Confident100 Ų10052.4 Ų52.452%0.52427%0.27SS..  trans-68.4131.6-176.5-71169.8000111.6N436L355-N436 PolarHBondContact O-ND2 3.37Å
356Q86.4Confident87.3Confident37 Ų3746.4 Ų46.417%0.17325%0.246CC..  trans-104.1-13.9174.466.5-86.615.300114.4I34 L354 T358 Q361 L431 Q432I34-Q356 HydrophobicContact CD1-CG 4.09Å; L354-Q356 PolarHBondContact O-N 3.2Å; L354-Q356 PolarHBondContact O-OE1 2.92Å; Q356-T358 VanDerWaalsContact C-N 3.29Å; Q356-T358 WeakPolarHBondContact CG-OG1 3.39Å; Q356-T358 PolarHBondContact O-N 3.27Å; Q356-Q361 PolarHBondContact O-NE2 3.28Å; Q356-L431 HydrophobicContact CB-CB 4.19Å; Q356-Q432 HydrophobicContact CB-CG 3.78Å
357H85.7Confident88.1Confident58 Ų5845.1 Ų45.127%0.26924%0.239SC..  trans52.536.6-178-63.1-79.1000115.3E359 H360 Q361 Y556H357-E359 PolarHBondContact O-N 3Å; H357-H360 PolarHBondContact O-N 3.49Å; H357-Q361 WeakPolarHBondContact O-CG 3.3Å; H357-Q361 PolarHBondContact O-N 3.16Å; H357-Y556 HydrophobicContact CB-CD2 3.33Å; H357-Y556 HydrophobicContact CB-CE2 3.76Å; H357-Y556 HydrophobicContact CB-CG 4.09Å; H357-Y556 AromaticContact CD2-CD2 3.99Å; H357-Y556 AromaticContact CG-CD2 3.67Å
358T83.1Confident88.8Confident12 Ų1244 Ų447%0.07423%0.232CC..THydrogen-bonded Turntrans-50.7-35.7-175.8-47.90000113.6Q356 H360 Q361Q356-T358 VanDerWaalsContact C-N 3.29Å; Q356-T358 WeakPolarHBondContact CG-OG1 3.39Å; Q356-T358 PolarHBondContact O-N 3.27Å; T358-H360 VanDerWaalsContact C-N 3.33Å; T358-H360 PolarHBondContact O-N 2.83Å; T358-Q361 PolarHBondContact O-N 3.42Å
359E82.9Confident89Confident150 Ų15044 Ų4470%0.70123%0.232SC*.THydrogen-bonded Turntrans-67.7-28.7-179-62.5-178.5177.200113.9H357H357-E359 PolarHBondContact O-N 3Å
360H85.4Confident89.5Confident113 Ų11342.4 Ų42.452%0.52322%0.224SC..THydrogen-bonded Turntrans-96.2-8.2-179-56.6-57.8000113H357 T358 Y556H357-H360 PolarHBondContact O-N 3.49Å; T358-H360 VanDerWaalsContact C-N 3.33Å; T358-H360 PolarHBondContact O-N 2.83Å; H360-Y556 HydrophobicContact CB-CD1 3.46Å; H360-Y556 VanDerWaalsContact CB-CD1 3.46Å; H360-Y556 HydrophobicContact CB-CD2 4.45Å; H360-Y556 HydrophobicContact CB-CE1 4.14Å; H360-Y556 HydrophobicContact CB-CG 3.64Å; H360-Y556 WeakPolarHBondContact O-CE1 3.42Å
361Q86.4Confident89.9Confident8 Ų840.7 Ų40.74%0.03721%0.213CC..SBendtrans-71.9141.7-180-72.3174.3-2.200111.9Q356 H357 T358 L365 R366 Y556Q356-Q361 PolarHBondContact O-NE2 3.28Å; H357-Q361 WeakPolarHBondContact O-CG 3.3Å; H357-Q361 PolarHBondContact O-N 3.16Å; T358-Q361 PolarHBondContact O-N 3.42Å; Q361-L365 HydrophobicContact CG-CD2 4.37Å; Q361-R366 HydrophobicContact CB-CG 3.81Å; Q361-Y556 HydrophobicContact CG-CE2 4.29Å; Q361-Y556 WeakPolarHBondContact CG-OH 2.99Å
362S88.9Confident90.2Very high68 Ų6840.7 Ų40.748%0.47621%0.213SC..  trans-61.4145172.273.50000110.9S364 L365 R366S362-S364 PolarHBondContact O-N 2.88Å; S362-L365 PolarHBondContact O-N 3.39Å; S362-L365 VanDerWaalsContact O-N 3.14Å; S362-L365 WeakPolarHBondContact OG-CB 3.2Å; S362-L365 PolarHBondContact OG-N 3Å; S362-R366 PolarHBondContact O-N 3.4Å; S362-R366 VanDerWaalsContact O-N 3.07Å
363I89.4Confident90.4Very high66 Ų6640.8 Ų40.834%0.33821%0.213SC..Hα-helixtrans-57.9-41.4177.8-64.4145.6000110.4W17 L29 L365 R366 L367W17-I363 HydrophobicContact CH2-CG2 4.11Å; W17-I363 HydrophobicContact CZ2-CG2 3.99Å; L29-I363 HydrophobicContact CD2-CB 4.21Å; L29-I363 HydrophobicContact CD2-CD1 3.26Å; L29-I363 HydrophobicContact CD2-CG1 3.55Å; L29-I363 HydrophobicContact CD2-CG2 3.65Å; I363-L365 VanDerWaalsContact C-N 3.3Å; I363-L365 PolarHBondContact O-N 2.88Å; I363-R366 PolarHBondContact O-N 3.5Å; I363-L367 VanDerWaalsContact O-CB 3.28Å; I363-L367 WeakPolarHBondContact O-CB 3.4Å; I363-L367 PolarHBondContact O-N 3Å
364S90.8Very high90.8Very high91 Ų9136.6 Ų36.664%0.63619%0.194SC*.Hα-helixtrans-57.6-41.3177.7-51.90000112.4S362 L368S362-S364 PolarHBondContact O-N 2.88Å; S364-L368 VanDerWaalsContact O-CB 3.28Å; S364-L368 WeakPolarHBondContact O-CB 3.43Å; S364-L368 PolarHBondContact O-N 3.18Å
365L90.8Very high91.1Very high20 Ų2036.1 Ų36.111%0.10519%0.191CC..Hα-helixtrans-69.1-47.5177.2178.263.9000111.4L4 Q361 S362 I363 L367 L368 C369L4-L365 HydrophobicContact CD1-CD1 4.39Å; L4-L365 HydrophobicContact CD2-CD1 4.05Å; Q361-L365 HydrophobicContact CG-CD2 4.37Å; S362-L365 PolarHBondContact O-N 3.39Å; S362-L365 VanDerWaalsContact O-N 3.14Å; S362-L365 WeakPolarHBondContact OG-CB 3.2Å; S362-L365 PolarHBondContact OG-N 3Å; I363-L365 VanDerWaalsContact C-N 3.3Å; I363-L365 PolarHBondContact O-N 2.88Å; L365-L367 VanDerWaalsContact C-N 3.28Å; L365-L367 PolarHBondContact O-N 2.95Å; L365-L368 PolarHBondContact O-N 3.14Å; L365-C369 PolarHBondContact O-N 3.37Å
366R92.4Very high91.4Very high13 Ų1331.4 Ų31.45%0.04917%0.167CC..Hα-helixtrans-57.5-44.2178.3-71.5-166.5-71.8140.8-5.8111.3L31 Q361 S362 I363 A370L31-R366 PolarHBondContact O-NH1 2.84Å; Q361-R366 HydrophobicContact CB-CG 3.81Å; S362-R366 PolarHBondContact O-N 3.4Å; S362-R366 VanDerWaalsContact O-N 3.07Å; I363-R366 PolarHBondContact O-N 3.5Å; R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.48Å
367L93.6Very high91.6Very high5 Ų531.4 Ų31.43%0.02617%0.166CC..Hα-helixtrans-63.8-48.3177.2-168.179.4000112V13 W17 F28 I363 L365 C369 A370 F371V13-L367 HydrophobicContact CG1-CD2 3.9Å; V13-L367 HydrophobicContact CG1-CG 4.05Å; W17-L367 HydrophobicContact CB-CD2 3.48Å; W17-L367 VanDerWaalsContact CB-CD2 3.48Å; W17-L367 HydrophobicContact CD2-CD2 3.65Å; W17-L367 HydrophobicContact CE3-CD1 3.57Å; W17-L367 HydrophobicContact CE3-CD2 3.39Å; W17-L367 HydrophobicContact CE3-CG 4.11Å; W17-L367 HydrophobicContact CG-CD2 3.7Å; W17-L367 HydrophobicContact CZ3-CD1 3.8Å; W17-L367 HydrophobicContact CZ3-CD2 4.34Å; F28-L367 HydrophobicContact CD1-CD1 4.09Å; F28-L367 HydrophobicContact CD2-CD1 4.36Å; F28-L367 HydrophobicContact CE1-CB 4.16Å; F28-L367 HydrophobicContact CE1-CD1 3.7Å; F28-L367 HydrophobicContact CE2-CD1 3.99Å; F28-L367 HydrophobicContact CG-CD1 4.41Å; F28-L367 HydrophobicContact CZ-CB 4.27Å; F28-L367 HydrophobicContact CZ-CD1 3.65Å; I363-L367 VanDerWaalsContact O-CB 3.28Å; I363-L367 WeakPolarHBondContact O-CB 3.4Å; I363-L367 PolarHBondContact O-N 3Å; L365-L367 VanDerWaalsContact C-N 3.28Å; L365-L367 PolarHBondContact O-N 2.95Å; L367-C369 PolarHBondContact O-N 2.85Å; L367-A370 PolarHBondContact O-N 2.95Å; L367-F371 HydrophobicContact CD1-CD2 3.68Å; L367-F371 HydrophobicContact CD1-CE2 3.47Å; L367-F371 VanDerWaalsContact CD1-CE2 3.47Å; L367-F371 HydrophobicContact CG-CD2 3.8Å; L367-F371 HydrophobicContact CG-CE2 4.05Å; L367-F371 PolarHBondContact O-N 2.95Å
368L96Very high91.8Very high12 Ų1230.5 Ų30.56%0.06316%0.162CC..Hα-helixtrans-55.8-50.2177.9178.362.2000111.3P5 Q10 V13 S364 L365 T372P5-L368 HydrophobicContact CB-CD1 4.39Å; P5-L368 HydrophobicContact CG-CD1 4.03Å; P5-L368 HydrophobicContact CG-CD2 4.45Å; P5-L368 HydrophobicContact CG-CG 4.2Å; Q10-L368 HydrophobicContact CB-CD1 4.46Å; Q10-L368 HydrophobicContact CG-CD1 4.04Å; Q10-L368 HydrophobicContact CG-CD2 3.87Å; V13-L368 HydrophobicContact CB-CD1 4.29Å; V13-L368 HydrophobicContact CG2-CD1 4.15Å; S364-L368 VanDerWaalsContact O-CB 3.28Å; S364-L368 WeakPolarHBondContact O-CB 3.43Å; S364-L368 PolarHBondContact O-N 3.18Å; L365-L368 PolarHBondContact O-N 3.14Å; L368-T372 VanDerWaalsContact O-CB 3.23Å; L368-T372 WeakPolarHBondContact O-CB 3.2Å; L368-T372 PolarHBondContact O-N 3.31Å; L368-T372 PolarHBondContact O-OG1 3.32Å
369C96.3Very high92.1Very high1 Ų131 Ų311%0.00716%0.164CC..Hα-helixtrans-63.1-46.8177.7-69.70000111.6L365 L367 F371 T372 V373 L427 M430 L431L365-C369 PolarHBondContact O-N 3.37Å; L367-C369 PolarHBondContact O-N 2.85Å; C369-F371 PolarHBondContact O-N 3.36Å; C369-T372 PolarHBondContact O-N 3.29Å; C369-V373 VanDerWaalsContact O-CG2 3.32Å; C369-V373 WeakPolarHBondContact O-CG2 3.48Å; C369-V373 PolarHBondContact O-N 3.11Å; C369-L427 HydrophobicContact CB-CD1 3.74Å; C369-M430 HydrophobicContact CB-CE 4.42Å; C369-M430 HydrophobicContact CB-CG 4.46Å; C369-M430 HydrophobicContact CB-SD 3.86Å; C369-L431 HydrophobicContact CB-CD2 3.72Å
370A96.2Very high92.2Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-62.6-46.4-177.300000112.4F28 V37 A41 R366 L367 V373 A374 L427F28-A370 HydrophobicContact CZ-CB 4.44Å; V37-A370 HydrophobicContact CG1-CB 3.82Å; A41-A370 HydrophobicContact CB-CB 3.57Å; R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.48Å; L367-A370 PolarHBondContact O-N 2.95Å; A370-V373 PolarHBondContact O-N 3.45Å; A370-A374 VanDerWaalsContact O-CB 3.3Å; A370-A374 WeakPolarHBondContact O-CB 3.28Å; A370-A374 PolarHBondContact O-N 2.97Å; A370-L427 HydrophobicContact CB-CD1 4.3Å; A370-L427 HydrophobicContact CB-CD2 4.07Å
371F96.2Very high91.9Very high2 Ų222.8 Ų22.81%0.00913%0.133CC..Hα-helixtrans-67.6-40176.3-88.8-84.9000112.4V13 K16 A41 L44 L367 C369 V373 A374 T375V13-F371 HydrophobicContact CG1-CB 4.25Å; V13-F371 HydrophobicContact CG1-CD2 4.43Å; V13-F371 HydrophobicContact CG1-CG 4.47Å; V13-F371 HydrophobicContact CG2-CB 4.09Å; K16-F371 HydrophobicContact CD-CD1 4.17Å; K16-F371 HydrophobicContact CD-CE1 3.72Å; K16-F371 HydrophobicContact CD-CZ 4.23Å; A41-F371 HydrophobicContact CB-CD2 4.38Å; A41-F371 HydrophobicContact CB-CE2 4.44Å; L44-F371 HydrophobicContact CB-CE1 3.92Å; L44-F371 HydrophobicContact CB-CZ 3.6Å; L44-F371 HydrophobicContact CD1-CZ 4.02Å; L44-F371 HydrophobicContact CG-CZ 4.49Å; L367-F371 HydrophobicContact CD1-CD2 3.68Å; L367-F371 HydrophobicContact CD1-CE2 3.47Å; L367-F371 VanDerWaalsContact CD1-CE2 3.47Å; L367-F371 HydrophobicContact CG-CD2 3.8Å; L367-F371 HydrophobicContact CG-CE2 4.05Å; L367-F371 PolarHBondContact O-N 2.95Å; C369-F371 PolarHBondContact O-N 3.36Å; F371-V373 VanDerWaalsContact C-N 3.32Å; F371-V373 PolarHBondContact O-N 3.33Å; F371-A374 PolarHBondContact O-N 3.46Å; F371-T375 WeakPolarHBondContact O-CB 3.28Å; F371-T375 PolarHBondContact O-N 3.48Å; F371-T375 PolarHBondContact O-OG1 2.93Å
372T97.4Very high91.5Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-57.6-47.4175.4-58.80000110.9P5 W9 M309 A313 L368 C369 T375 L376 M430P5-T372 HydrophobicContact CG-CG2 4.07Å; W9-T372 PolarHBondContact NE1-OG1 3.31Å; M309-T372 HydrophobicContact CB-CG2 3.84Å; M309-T372 HydrophobicContact CG-CG2 3.77Å; M309-T372 HydrophobicContact SD-CG2 3.96Å; A313-T372 HydrophobicContact CB-CG2 4.16Å; L368-T372 VanDerWaalsContact O-CB 3.23Å; L368-T372 WeakPolarHBondContact O-CB 3.2Å; L368-T372 PolarHBondContact O-N 3.31Å; L368-T372 PolarHBondContact O-OG1 3.32Å; C369-T372 PolarHBondContact O-N 3.29Å; T372-T375 PolarHBondContact O-N 3.12Å; T372-L376 WeakPolarHBondContact O-CB 3.39Å; T372-L376 PolarHBondContact O-N 3Å; T372-M430 HydrophobicContact CG2-CE 4.31Å
373V97Very high90.6Very high2 Ų228.1 Ų28.11%0.01216%0.158CC..Hα-helixtrans-71.3-37.2-179.6176.70000112F38 C369 A370 F371 L376 Y377 G423 V426 L427 M430F38-V373 HydrophobicContact CD2-CG1 4.19Å; F38-V373 HydrophobicContact CE2-CG1 3.92Å; C369-V373 VanDerWaalsContact O-CG2 3.32Å; C369-V373 WeakPolarHBondContact O-CG2 3.48Å; C369-V373 PolarHBondContact O-N 3.11Å; A370-V373 PolarHBondContact O-N 3.45Å; F371-V373 VanDerWaalsContact C-N 3.32Å; F371-V373 PolarHBondContact O-N 3.33Å; V373-L376 PolarHBondContact O-N 2.9Å; V373-Y377 VanDerWaalsContact O-CB 3.22Å; V373-Y377 WeakPolarHBondContact O-CB 3.41Å; V373-Y377 PolarHBondContact O-N 2.95Å; V373-G423 VanDerWaalsContact CG1-O 3.24Å; V373-G423 WeakPolarHBondContact CG1-O 3.34Å; V373-V426 HydrophobicContact CB-CG1 4.43Å; V373-V426 HydrophobicContact CG1-CB 3.78Å; V373-V426 HydrophobicContact CG1-CG1 3.74Å; V373-V426 HydrophobicContact CG2-CG1 3.81Å; V373-L427 HydrophobicContact CB-CB 4.4Å; V373-L427 HydrophobicContact CG1-CB 4.18Å; V373-L427 HydrophobicContact CG2-CB 4.4Å; V373-L427 HydrophobicContact CG2-CD1 4.31Å; V373-M430 HydrophobicContact CG2-SD 3.79Å
374A95.6Very high89.3Confident0 Ų026.7 Ų26.70%016%0.16CC..Hα-helixtrans-61.2-46.2173.500000111.8F38 A41 L42 A45 A370 F371 Y377 L378F38-A374 HydrophobicContact CE2-CB 4.45Å; A41-A374 HydrophobicContact CB-CB 4.3Å; L42-A374 HydrophobicContact CB-CB 4.4Å; L42-A374 HydrophobicContact CD1-CB 4.35Å; A45-A374 HydrophobicContact CB-CB 3.9Å; A370-A374 VanDerWaalsContact O-CB 3.3Å; A370-A374 WeakPolarHBondContact O-CB 3.28Å; A370-A374 PolarHBondContact O-N 2.97Å; F371-A374 PolarHBondContact O-N 3.46Å; A374-Y377 PolarHBondContact O-N 3.48Å; A374-L378 WeakPolarHBondContact O-CG 3.45Å; A374-L378 PolarHBondContact O-N 2.76Å
375T95.1Very high87.8Confident0 Ų026.4 Ų26.40%016%0.156CC..Hα-helixtrans-64.2-42.6175.9-56.90000111.6W9 D49 L50 I53 M309 F371 T372 Y377 L378 K379W9-T375 HydrophobicContact CH2-CG2 3.83Å; W9-T375 HydrophobicContact CZ2-CG2 4.27Å; D49-T375 HydrophobicContact CB-CG2 4.46Å; L50-T375 HydrophobicContact CD2-CG2 3.84Å; I53-T375 HydrophobicContact CB-CG2 4.43Å; I53-T375 HydrophobicContact CG2-CG2 3.82Å; M309-T375 HydrophobicContact CE-CG2 4.2Å; F371-T375 WeakPolarHBondContact O-CB 3.28Å; F371-T375 PolarHBondContact O-N 3.48Å; F371-T375 PolarHBondContact O-OG1 2.93Å; T372-T375 PolarHBondContact O-N 3.12Å; T375-Y377 VanDerWaalsContact C-N 3.34Å; T375-Y377 PolarHBondContact O-N 2.91Å; T375-L378 PolarHBondContact O-N 2.73Å; T375-K379 WeakPolarHBondContact O-CG 3.41Å; T375-K379 PolarHBondContact O-N 2.94Å
376L93.9Very high86.4Confident2 Ų227.5 Ų27.51%0.0116%0.162CC..Hα-helixtrans-59.5-45.5174.9177.958.4000111.6L302 L306 M309 L317 T372 V373 L378 K379 L380 V426L302-L376 HydrophobicContact CD1-CD1 3.99Å; L306-L376 HydrophobicContact CD2-CD1 3.83Å; L306-L376 HydrophobicContact CD2-CD2 4.27Å; M309-L376 HydrophobicContact CE-CB 4.05Å; M309-L376 HydrophobicContact SD-CB 3.86Å; M309-L376 HydrophobicContact SD-CD1 4.09Å; M309-L376 HydrophobicContact SD-CD2 4.49Å; M309-L376 HydrophobicContact SD-CG 4.36Å; L317-L376 HydrophobicContact CB-CD2 4.27Å; L317-L376 HydrophobicContact CD2-CD1 4.4Å; L317-L376 HydrophobicContact CD2-CD2 4.27Å; T372-L376 WeakPolarHBondContact O-CB 3.39Å; T372-L376 PolarHBondContact O-N 3Å; V373-L376 PolarHBondContact O-N 2.9Å; L376-L378 PolarHBondContact O-N 3.11Å; L376-K379 WeakPolarHBondContact O-CB 3.31Å; L376-K379 PolarHBondContact O-N 2.9Å; L376-K379 VanDerWaalsContact O-N 3.16Å; L376-L380 HydrophobicContact CD1-CD1 4.25Å; L376-L380 HydrophobicContact CD1-CG 4.37Å; L376-L380 HydrophobicContact CG-CD1 4.04Å; L376-L380 WeakPolarHBondContact O-CG 3.32Å; L376-L380 PolarHBondContact O-N 3.05Å; L376-V426 HydrophobicContact CD2-CG1 4.46Å
377Y91.4Very high84.9Confident36 Ų3627.6 Ų27.614%0.14116%0.164CC..Hα-helixtrans-59.9-44.4177.2173-91.3000111.8F38 L42 V373 A374 T375 K379 L380 S381 L419F38-Y377 HydrophobicContact CZ-CD1 4.34Å; F38-Y377 HydrophobicContact CZ-CD2 4.26Å; F38-Y377 HydrophobicContact CZ-CG 4.02Å; L42-Y377 HydrophobicContact CD1-CD1 3.61Å; L42-Y377 HydrophobicContact CD1-CE1 3.99Å; L42-Y377 HydrophobicContact CD2-CD1 4.19Å; L42-Y377 HydrophobicContact CD2-CE1 3.88Å; V373-Y377 VanDerWaalsContact O-CB 3.22Å; V373-Y377 WeakPolarHBondContact O-CB 3.41Å; V373-Y377 PolarHBondContact O-N 2.95Å; A374-Y377 PolarHBondContact O-N 3.48Å; T375-Y377 VanDerWaalsContact C-N 3.34Å; T375-Y377 PolarHBondContact O-N 2.91Å; Y377-K379 VanDerWaalsContact C-N 3.31Å; Y377-K379 PolarHBondContact O-N 3.37Å; Y377-L380 PolarHBondContact O-N 3.25Å; Y377-S381 PolarHBondContact O-N 2.84Å; Y377-S381 PolarHBondContact O-OG 3.34Å; Y377-L419 HydrophobicContact CE2-CB 4.2Å; Y377-L419 HydrophobicContact CE2-CD2 3.99Å; Y377-L419 HydrophobicContact CE2-CG 4.44Å; Y377-L419 WeakPolarHBondContact CE2-O 3.22Å; Y377-L419 WeakPolarHBondContact OH-CB 3.46Å
378L90.1Very high83.1Confident39 Ų3933 Ų3320%0.20420%0.198CC..Hα-helixtrans-65.4-30.4175.3-70.2176.6000113.3L42 A45 L50 A374 T375 L376 S381 K382L42-L378 HydrophobicContact CD1-CD2 4Å; L42-L378 HydrophobicContact CD1-CG 4.03Å; A45-L378 HydrophobicContact CB-CD1 3.74Å; L50-L378 HydrophobicContact CD1-CB 4.43Å; L50-L378 HydrophobicContact CD2-CB 3.94Å; A374-L378 WeakPolarHBondContact O-CG 3.45Å; A374-L378 PolarHBondContact O-N 2.76Å; T375-L378 PolarHBondContact O-N 2.73Å; L376-L378 PolarHBondContact O-N 3.11Å; L378-S381 PolarHBondContact O-OG 3.41Å; L378-K382 WeakPolarHBondContact O-CG 3.36Å
379K88.3Confident81Confident24 Ų2436.1 Ų36.110%0.10422%0.22CC..Hα-helixtrans-72.4-44.3172.9-75.2-77.4-175.6161.50111.2L50 L302 E305 T375 L376 Y377 S381 K382 A383L50-K379 HydrophobicContact CD2-CD 3.96Å; L50-K379 HydrophobicContact CD2-CG 3.7Å; L302-K379 HydrophobicContact CD1-CB 4.45Å; L302-K379 HydrophobicContact CD2-CB 3.92Å; E305-K379 IonicContact OE1-NZ 3.74Å; E305-K379 PolarHBondContact OE1-NZ 3.25Å; T375-K379 WeakPolarHBondContact O-CG 3.41Å; T375-K379 PolarHBondContact O-N 2.94Å; L376-K379 WeakPolarHBondContact O-CB 3.31Å; L376-K379 PolarHBondContact O-N 2.9Å; L376-K379 VanDerWaalsContact O-N 3.16Å; Y377-K379 VanDerWaalsContact C-N 3.31Å; Y377-K379 PolarHBondContact O-N 3.37Å; K379-S381 PolarHBondContact O-N 2.93Å; K379-K382 PolarHBondContact O-N 3.49Å; K379-A383 PolarHBondContact O-N 2.95Å; K379-A383 VanDerWaalsContact O-N 3.1Å
380L84.9Confident79.1Confident26 Ų2637.5 Ų37.514%0.13623%0.225CC..Hα-helixtrans-60.2-44177.7-77.5165.7000111.7W298 L302 L317 L376 Y377 K382 A383W298-L380 HydrophobicContact CB-CD2 4.39Å; L302-L380 HydrophobicContact CD1-CD2 3.47Å; L302-L380 VanDerWaalsContact CD1-CD2 3.47Å; L302-L380 HydrophobicContact CD1-CG 3.71Å; L317-L380 HydrophobicContact CD1-CD1 3.68Å; L317-L380 HydrophobicContact CD2-CD1 4.34Å; L376-L380 HydrophobicContact CD1-CD1 4.25Å; L376-L380 HydrophobicContact CD1-CG 4.37Å; L376-L380 HydrophobicContact CG-CD1 4.04Å; L376-L380 WeakPolarHBondContact O-CG 3.32Å; L376-L380 PolarHBondContact O-N 3.05Å; Y377-L380 PolarHBondContact O-N 3.25Å; L380-K382 PolarHBondContact O-N 2.78Å; L380-A383 PolarHBondContact O-N 3.19Å
381S79.7Confident76.9Confident63 Ų6344.8 Ų44.844%0.44126%0.257SS..Hα-helixtrans-63.3-25178.466.30000113.5Y377 L378 K379Y377-S381 PolarHBondContact O-N 2.84Å; Y377-S381 PolarHBondContact O-OG 3.34Å; L378-S381 PolarHBondContact O-OG 3.41Å; K379-S381 PolarHBondContact O-N 2.93Å
382K78.3Confident74.6Confident132 Ų13248.8 Ų48.857%0.57428%0.278SS*.Hα-helixtrans-85.9-20.2173.6-67.3179.2-178.4-171.40113.4L378 K379 L380L378-K382 WeakPolarHBondContact O-CG 3.36Å; K379-K382 PolarHBondContact O-N 3.49Å; L380-K382 PolarHBondContact O-N 2.78Å
383A68.5Low71.8Confident56 Ų5653.5 Ų53.546%0.46331%0.311SS..Hα-helixtrans-85.6-15.7-172.800000114.5P301 K379 L380P301-A383 HydrophobicContact CG-CB 4.47Å; K379-A383 PolarHBondContact O-N 2.95Å; K379-A383 VanDerWaalsContact O-N 3.1Å; L380-A383 PolarHBondContact O-N 3.19Å
384G62.3Low68.9Low37 Ų3760.2 Ų60.238%0.38135%0.347SS..  trans142177.1176.200000113.3
385P59.6Low66.1Low85 Ų8564.7 Ų64.755%0.55238%0.384SS*.PPolyproline II helixtrans-61.8144.9176.218.6-26.1000113W415P385-W415 HydrophobicContact CB-CH2 3.57Å; P385-W415 HydrophobicContact CB-CZ2 4.38Å; P385-W415 HydrophobicContact CB-CZ3 4.01Å; P385-W415 HydrophobicContact CG-CH2 4.25Å
386L61.5Low63.3Low42 Ų4269.4 Ų69.422%0.2242%0.417CS..PPolyproline II helixtrans-60.3163.6163.2-82.6170000111L321 T388 W390 L419 V422L321-L386 HydrophobicContact CD2-CD2 4.4Å; L386-T388 PolarHBondContact O-N 2.96Å; L386-W390 HydrophobicContact CB-CE3 4.12Å; L386-W390 HydrophobicContact CD1-CE3 3.81Å; L386-W390 HydrophobicContact CD1-CZ3 3.86Å; L386-W390 HydrophobicContact CD2-CE3 3.94Å; L386-W390 HydrophobicContact CD2-CH2 4.32Å; L386-W390 HydrophobicContact CD2-CZ3 3.63Å; L386-W390 HydrophobicContact CG-CE3 4.17Å; L386-W390 HydrophobicContact CG-CZ3 4.26Å; L386-L419 HydrophobicContact CD1-CD1 3.69Å; L386-L419 HydrophobicContact CD1-CD2 3.87Å; L386-L419 HydrophobicContact CD1-CG 3.62Å; L386-V422 HydrophobicContact CD1-CG2 4.18Å
387P62.1Low60.4Low16 Ų1674.6 Ų74.610%0.10445%0.453CS..PPolyproline II helixtrans-51.3142.6-1751.3-7.3000112.8W298 S389 W390W298-P387 VanDerWaalsContact CE2-CD 3.45Å; W298-P387 HydrophobicContact CH2-CB 3.5Å; W298-P387 VanDerWaalsContact CH2-CB 3.5Å; W298-P387 HydrophobicContact CH2-CG 3.29Å; W298-P387 VanDerWaalsContact CZ2-CA 3.5Å; W298-P387 HydrophobicContact CZ2-CB 3.21Å; W298-P387 HydrophobicContact CZ2-CG 3.03Å; W298-P387 HydrophobicContact CZ3-CG 4.34Å; P387-S389 PolarHBondContact O-N 3.39Å; P387-S389 VanDerWaalsContact O-N 3.15Å; P387-W390 HydrophobicContact CB-CG 4.34Å; P387-W390 HydrophobicContact CG-CD2 3.76Å; P387-W390 HydrophobicContact CG-CG 3.75Å; P387-W390 HydrophobicContact CG-CZ2 4.32Å; P387-W390 WeakPolarHBondContact O-CB 3.3Å; P387-W390 PolarHBondContact O-N 2.88Å
388T54Low57.6Low119 Ų11980.3 Ų80.373%0.7349%0.485SS*.G310 helixtrans-59-25.8175.624.20000113.1L386 W390 K391L386-T388 PolarHBondContact O-N 2.96Å; T388-W390 PolarHBondContact O-N 2.96Å; T388-K391 PolarHBondContact O-N 3.21Å
389S52.1Low54.7Low76 Ų7685 Ų8553%0.53152%0.515SS..G310 helixtrans-68.8-8.6172.457.80000114.2P387P387-S389 PolarHBondContact O-N 3.39Å; P387-S389 VanDerWaalsContact O-N 3.15Å
390W56.3Low52Low30 Ų3089 Ų8911%0.11455%0.546CS..G310 helixtrans-97.25.6176.6-68.519.9000112.9T320 L321 G324 I325 L386 P387 T388 L392 V422T320-W390 HydrophobicContact CG2-CH2 4.49Å; L321-W390 HydrophobicContact CD2-CH2 4.07Å; L321-W390 HydrophobicContact CD2-CZ2 4.34Å; G324-W390 VanDerWaalsContact CA-NE1 3.3Å; I325-W390 HydrophobicContact CB-CB 4.21Å; I325-W390 HydrophobicContact CB-CD2 3.9Å; I325-W390 HydrophobicContact CB-CE3 3.99Å; I325-W390 HydrophobicContact CB-CG 4Å; I325-W390 HydrophobicContact CG2-CB 3.65Å; I325-W390 HydrophobicContact CG2-CD2 4.24Å; I325-W390 HydrophobicContact CG2-CG 3.79Å; L386-W390 HydrophobicContact CB-CE3 4.12Å; L386-W390 HydrophobicContact CD1-CE3 3.81Å; L386-W390 HydrophobicContact CD1-CZ3 3.86Å; L386-W390 HydrophobicContact CD2-CE3 3.94Å; L386-W390 HydrophobicContact CD2-CH2 4.32Å; L386-W390 HydrophobicContact CD2-CZ3 3.63Å; L386-W390 HydrophobicContact CG-CE3 4.17Å; L386-W390 HydrophobicContact CG-CZ3 4.26Å; P387-W390 HydrophobicContact CB-CG 4.34Å; P387-W390 HydrophobicContact CG-CD2 3.76Å; P387-W390 HydrophobicContact CG-CG 3.75Å; P387-W390 HydrophobicContact CG-CZ2 4.32Å; P387-W390 WeakPolarHBondContact O-CB 3.3Å; P387-W390 PolarHBondContact O-N 2.88Å; T388-W390 PolarHBondContact O-N 2.96Å; W390-L392 PolarHBondContact O-N 2.88Å; W390-L392 VanDerWaalsContact O-N 3.16Å; W390-V422 HydrophobicContact CE3-CG2 4.14Å; W390-V422 HydrophobicContact CH2-CG1 4.1Å; W390-V422 HydrophobicContact CH2-CG2 4.36Å; W390-V422 HydrophobicContact CZ3-CB 4.31Å; W390-V422 HydrophobicContact CZ3-CG1 3.82Å; W390-V422 HydrophobicContact CZ3-CG2 3.47Å; W390-V422 VanDerWaalsContact CZ3-CG2 3.47Å
391K51Low49.4Very low153 Ų15396.8 Ų96.867%0.66558%0.582SS**SBendtrans-72.3105.2164.1-67.7-173.2177.9-173.30107.4T388 S393T388-K391 PolarHBondContact O-N 3.21Å; K391-S393 PolarHBondContact O-N 3.12Å; K391-S393 VanDerWaalsContact O-N 3.1Å
392L46.6Very low47Very low86 Ų8699.6 Ų99.645%0.4560%0.601SS.*  trans-53.4117.8170.6-159.775.1000107.3W390 D394W390-L392 PolarHBondContact O-N 2.88Å; W390-L392 VanDerWaalsContact O-N 3.16Å; L392-D394 PolarHBondContact O-N 3.24Å; L392-D394 VanDerWaalsContact O-N 3.12Å
393S39.6Very low44.9Very low100 Ų10098.8 Ų98.870%0.69961%0.612SS**  trans-56121.6174.951.70000108.5K391 A395K391-S393 PolarHBondContact O-N 3.12Å; K391-S393 VanDerWaalsContact O-N 3.1Å; S393-A395 PolarHBondContact O-N 3.21Å
394D36Very low43Very low142 Ų142104.5 Ų104.576%0.75964%0.635SS**  trans-23.7123.8-169.8-64.5-41.3000115.6L392 S396L392-D394 PolarHBondContact O-N 3.24Å; L392-D394 VanDerWaalsContact O-N 3.12Å; D394-S396 PolarHBondContact O-N 2.77Å; D394-S396 PolarHBondContact O-OG 2.8Å
395A37.6Very low41.3Very low95 Ų95106 Ų10679%0.78565%0.65SS**  trans-62.361.5169.800000112.6S393S393-A395 PolarHBondContact O-N 3.21Å
396S35.1Very low39.9Very low98 Ų98107.9 Ų107.969%0.68566%0.663SS**  trans-99.16.8-178.357.20000113.9D394D394-S396 PolarHBondContact O-N 2.77Å; D394-S396 PolarHBondContact O-OG 2.8Å
397S33Very low38.5Very low112 Ų112115.9 Ų115.978%0.78370%0.696SS**SBendtrans-114.42-176.2-60.10000116.3
398I33.8Very low36.9Very low156 Ų156125 Ų12580%0.873%0.734SS**  trans-141.679.4175-48.4176.8000110.6
399T29.3Very low35.9Very low136 Ų136129.7 Ų129.783%0.83474%0.744SS**  trans-141.294.6154.438.20000109.7
400S30.3Very low34.7Very low109 Ų109129 Ų12976%0.76275%0.749SS**  trans-89.6112.3154.455.10000108.7
401Q31.5Very low33.9Very low189 Ų189131.1 Ų131.188%0.88378%0.78SS**  trans61.199.4149.3-59.4-179.80.100118.8
402S28.9Very low33.1Very low122 Ų122132 Ų13285%0.85379%0.792SS**  -168.3117.7122.458.40000110.4
403S33.2Very low32.6Very low115 Ų115132.7 Ų132.780%0.80480%0.804SS**  trans-79.2121.4171.646.40000111.2
404D28.4Very low32.6Very low177 Ų177136.6 Ų136.695%0.94781%0.811SS**  168.6133.1123.1-118.6-20.8000111.5
405G26.6Very low32.9Very low67 Ų67138.3 Ų138.369%0.69181%0.807SS**  trans148.2138.8168.800000115.2
406P30.3Very low33.5Very low126 Ų126138.1 Ų138.182%0.81880%0.8SS**  trans-80.6141-152.431.7-34.6000114.4K408P406-K408 PolarHBondContact O-N 2.97Å; P406-K408 VanDerWaalsContact O-N 3.11Å
407K33.5Very low34.4Very low210 Ų210137.5 Ų137.591%0.91380%0.796SS**  trans-51.1110168.6-68.6177.5176.51770111.1
408K27.9Very low35.8Very low207 Ų207136.7 Ų136.790%0.978%0.78SS**  trans-91.9118.1157-85.3-173175.6179.30109.2P406P406-K408 PolarHBondContact O-N 2.97Å; P406-K408 VanDerWaalsContact O-N 3.11Å
409K32.4Very low37.5Very low218 Ų218131.7 Ų131.795%0.94875%0.754SS**  trans-74.6132.7160.2-81.3-178.5171.7-178.90108.3
410G26.7Very low40.1Very low62 Ų62128.1 Ų128.164%0.63973%0.725SS**  trans152.3115.5168.300000110.6
411G40.6Very low42.9Very low73 Ų73123.1 Ų123.175%0.75369%0.69SS**SBendtrans-59.7166.4170.900000112.2
412D34.5Very low45.6Very low172 Ų172114.6 Ų114.692%0.9265%0.651SS**SBendtrans93.911179-57.8-17.7000118.4
413S36.5Very low48.6Very low101 Ų101108.9 Ų108.971%0.70661%0.611SS**  trans-114.910.1179.474.60000117.3
414E37.9Very low51.6Low181 Ų181103.4 Ų103.485%0.84657%0.573SS**SBendtrans-103.2-4.4-177.8-147.1164.7-148.600113.9
415W42.4Very low54.8Low179 Ų17995 Ų9568%0.67853%0.528SS*.SBendtrans-93.21.6-174.6-77.832.4000115.1P385P385-W415 HydrophobicContact CB-CH2 3.57Å; P385-W415 HydrophobicContact CB-CZ2 4.38Å; P385-W415 HydrophobicContact CB-CZ3 4.01Å; P385-W415 HydrophobicContact CG-CH2 4.25Å
416S50.9Low58.1Low91 Ų9192 Ų9264%0.63650%0.496SS*.SBendtrans-110.4-23.3-163.367.60000117.1
417S53.2Low61.3Low85 Ų8586 Ų8659%0.59446%0.457SS*.SBendtrans-83.3-23.8-167.855.90000115.1W420S417-W420 PolarHBondContact O-NE1 3.04Å
418E62.8Low64.2Low95 Ų9577.1 Ų77.144%0.44442%0.418SS..SBendtrans-117.3-13.7-172.3-61-166.2157.400114.7W420 V421E418-W420 PolarHBondContact O-N 2.92Å; E418-V421 WeakPolarHBondContact O-CB 3.3Å; E418-V421 VanDerWaalsContact O-CG2 3.28Å; E418-V421 WeakPolarHBondContact O-CG2 3.36Å; E418-V421 PolarHBondContact O-N 3.28Å
419L69.6Low67.5Low51 Ų5167.3 Ų67.327%0.26738%0.375SS..THydrogen-bonded Turntrans-63.9-27-175.8-129.294000113.2Y377 L386 V421 V422Y377-L419 HydrophobicContact CE2-CB 4.2Å; Y377-L419 HydrophobicContact CE2-CD2 3.99Å; Y377-L419 HydrophobicContact CE2-CG 4.44Å; Y377-L419 WeakPolarHBondContact CE2-O 3.22Å; Y377-L419 WeakPolarHBondContact OH-CB 3.46Å; L386-L419 HydrophobicContact CD1-CD1 3.69Å; L386-L419 HydrophobicContact CD1-CD2 3.87Å; L386-L419 HydrophobicContact CD1-CG 3.62Å; L419-V421 PolarHBondContact O-N 2.83Å; L419-V421 VanDerWaalsContact O-N 3.12Å; L419-V422 VanDerWaalsContact O-CB 3.28Å; L419-V422 WeakPolarHBondContact O-CB 3.28Å; L419-V422 PolarHBondContact O-N 3.03Å
420W84.1Confident70.6Confident60 Ų6056.9 Ų56.923%0.22733%0.33CS..Hα-helixtrans-59.9-22.4175.371.3-92000112.5D35 F38 K39 S417 E418 V422 G423 S424D35-W420 HydrophobicContact CB-CH2 4.4Å; D35-W420 HydrophobicContact CB-CZ3 3.87Å; F38-W420 HydrophobicContact CE1-CB 4.04Å; F38-W420 WeakPolarHBondContact CE1-O 3.41Å; K39-W420 VanDerWaalsContact CE-CZ3 3.45Å; K39-W420 HydrophobicContact CG-CE3 4.45Å; S417-W420 PolarHBondContact O-NE1 3.04Å; E418-W420 PolarHBondContact O-N 2.92Å; W420-V422 PolarHBondContact O-N 2.83Å; W420-G423 PolarHBondContact O-N 2.88Å; W420-S424 PolarHBondContact O-N 3.36Å
421V88.9Confident73.8Confident5 Ų554.1 Ų54.13%0.0330%0.301CS..Hα-helixtrans-61.2-36174174.40000110.9I325 I328 E418 L419 A425I325-V421 HydrophobicContact CD1-CB 4.35Å; I325-V421 HydrophobicContact CD1-CG1 4.08Å; I328-V421 HydrophobicContact CG2-CG1 3.55Å; E418-V421 WeakPolarHBondContact O-CB 3.3Å; E418-V421 VanDerWaalsContact O-CG2 3.28Å; E418-V421 WeakPolarHBondContact O-CG2 3.36Å; E418-V421 PolarHBondContact O-N 3.28Å; L419-V421 PolarHBondContact O-N 2.83Å; L419-V421 VanDerWaalsContact O-N 3.12Å; V421-A425 WeakPolarHBondContact O-CB 3.43Å; V421-A425 PolarHBondContact O-N 2.87Å
422V88.4Confident76.4Confident9 Ų950.6 Ų50.66%0.05527%0.265CS..Hα-helixtrans-65.8-49.9176.1-176.20000109.8T320 I325 L386 W390 L419 W420 S424 A425 V426T320-V422 HydrophobicContact CG2-CG1 3.82Å; I325-V422 HydrophobicContact CD1-CG2 3.91Å; L386-V422 HydrophobicContact CD1-CG2 4.18Å; W390-V422 HydrophobicContact CE3-CG2 4.14Å; W390-V422 HydrophobicContact CH2-CG1 4.1Å; W390-V422 HydrophobicContact CH2-CG2 4.36Å; W390-V422 HydrophobicContact CZ3-CB 4.31Å; W390-V422 HydrophobicContact CZ3-CG1 3.82Å; W390-V422 HydrophobicContact CZ3-CG2 3.47Å; W390-V422 VanDerWaalsContact CZ3-CG2 3.47Å; L419-V422 VanDerWaalsContact O-CB 3.28Å; L419-V422 WeakPolarHBondContact O-CB 3.28Å; L419-V422 PolarHBondContact O-N 3.03Å; W420-V422 PolarHBondContact O-N 2.83Å; V422-S424 VanDerWaalsContact C-N 3.33Å; V422-S424 PolarHBondContact O-N 3.42Å; V422-A425 WeakPolarHBondContact O-CB 3.29Å; V422-A425 PolarHBondContact O-N 3.06Å; V422-A425 VanDerWaalsContact O-N 3.14Å; V422-V426 WeakPolarHBondContact O-CG2 3.49Å; V422-V426 PolarHBondContact O-N 3.38Å
423G92.7Very high79.2Confident2 Ų242.6 Ų42.62%0.02122%0.222CC..Hα-helixtrans-61.6-40.4178.100000112.7F38 V373 W420 V426 L427F38-G423 VanDerWaalsContact CZ-CA 3.46Å; V373-G423 VanDerWaalsContact CG1-O 3.24Å; V373-G423 WeakPolarHBondContact CG1-O 3.34Å; W420-G423 PolarHBondContact O-N 2.88Å; G423-V426 PolarHBondContact O-N 3.33Å; G423-L427 PolarHBondContact O-N 3.22Å
424S94.9Very high81.7Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-62.8-41.9172.5177.20000112.3D35 W420 V422 L427 R428D35-S424 WeakPolarHBondContact OD1-CB 3.44Å; D35-S424 PolarHBondContact OD1-OG 3.5Å; W420-S424 PolarHBondContact O-N 3.36Å; V422-S424 VanDerWaalsContact C-N 3.33Å; V422-S424 PolarHBondContact O-N 3.42Å; S424-L427 PolarHBondContact O-N 2.89Å; S424-R428 WeakPolarHBondContact O-CB 3.45Å; S424-R428 PolarHBondContact O-N 3.34Å
425A95.4Very high84.2Confident0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-63.9-41.8175.800000112.1T320 I328 V421 V422 L427 R428 H429T320-A425 HydrophobicContact CG2-CB 3.86Å; I328-A425 HydrophobicContact CD1-CB 4.16Å; I328-A425 HydrophobicContact CG1-CB 4.36Å; I328-A425 HydrophobicContact CG2-CB 3.99Å; V421-A425 WeakPolarHBondContact O-CB 3.43Å; V421-A425 PolarHBondContact O-N 2.87Å; V422-A425 WeakPolarHBondContact O-CB 3.29Å; V422-A425 PolarHBondContact O-N 3.06Å; V422-A425 VanDerWaalsContact O-N 3.14Å; A425-L427 VanDerWaalsContact C-N 3.35Å; A425-L427 PolarHBondContact O-N 2.85Å; A425-R428 WeakPolarHBondContact O-CB 3.39Å; A425-R428 PolarHBondContact O-N 3.26Å; A425-H429 PolarHBondContact O-CD2 3.06Å; A425-H429 PolarHBondContact O-N 3.2Å
426V96.5Very high86.6Confident4 Ų424 Ų242%0.02413%0.131CC..Hα-helixtrans-60.7-45.1173.3178.10000110.4A316 L317 T320 V373 L376 V422 G423 R428 H429 M430A316-V426 HydrophobicContact CB-CG1 4.01Å; A316-V426 WeakPolarHBondContact CB-O 3.31Å; L317-V426 HydrophobicContact CD1-CG2 4.25Å; T320-V426 HydrophobicContact CG2-CG2 3.96Å; T320-V426 WeakPolarHBondContact OG1-CG2 3.34Å; V373-V426 HydrophobicContact CB-CG1 4.43Å; V373-V426 HydrophobicContact CG1-CB 3.78Å; V373-V426 HydrophobicContact CG1-CG1 3.74Å; V373-V426 HydrophobicContact CG2-CG1 3.81Å; L376-V426 HydrophobicContact CD2-CG1 4.46Å; V422-V426 WeakPolarHBondContact O-CG2 3.49Å; V422-V426 PolarHBondContact O-N 3.38Å; G423-V426 PolarHBondContact O-N 3.33Å; V426-R428 PolarHBondContact O-N 2.86Å; V426-H429 PolarHBondContact O-N 3.46Å; V426-M430 WeakPolarHBondContact O-CB 3.15Å; V426-M430 PolarHBondContact O-N 3.43Å
427L96.8Very high88.6Confident1 Ų120.6 Ų20.61%0.00511%0.108CC..Hα-helixtrans-61.5-45.5177.5-179.257.6000111.4I34 V37 F38 C369 A370 V373 G423 S424 A425 H429 M430 L431I34-L427 HydrophobicContact CG2-CB 4.17Å; I34-L427 HydrophobicContact CG2-CD2 4.07Å; I34-L427 HydrophobicContact CG2-CG 4.04Å; V37-L427 HydrophobicContact CB-CD2 4.42Å; V37-L427 HydrophobicContact CG1-CD2 3.99Å; F38-L427 HydrophobicContact CB-CD2 3.79Å; C369-L427 HydrophobicContact CB-CD1 3.74Å; A370-L427 HydrophobicContact CB-CD1 4.3Å; A370-L427 HydrophobicContact CB-CD2 4.07Å; V373-L427 HydrophobicContact CB-CB 4.4Å; V373-L427 HydrophobicContact CG1-CB 4.18Å; V373-L427 HydrophobicContact CG2-CB 4.4Å; V373-L427 HydrophobicContact CG2-CD1 4.31Å; G423-L427 PolarHBondContact O-N 3.22Å; S424-L427 PolarHBondContact O-N 2.89Å; A425-L427 VanDerWaalsContact C-N 3.35Å; A425-L427 PolarHBondContact O-N 2.85Å; L427-H429 PolarHBondContact O-N 3.37Å; L427-M430 PolarHBondContact O-N 3.06Å; L427-L431 HydrophobicContact CD1-CD1 4.24Å; L427-L431 HydrophobicContact CD1-CG 4.19Å; L427-L431 HydrophobicContact CG-CD1 4.28Å; L427-L431 WeakPolarHBondContact O-CG 3.48Å; L427-L431 PolarHBondContact O-N 2.98Å
428R96Very high90.5Very high24 Ų2418.1 Ų18.19%0.0919%0.088CC..Hα-helixtrans-53.5-53.7174.3174.6177.4-70.1-86.6-0.3111.1I34 F352 S424 A425 V426 M430 L431 Q432I34-R428 HydrophobicContact CD1-CB 3.88Å; I34-R428 HydrophobicContact CD1-CG 3.95Å; I34-R428 HydrophobicContact CG2-CB 4.18Å; F352-R428 VanDerWaalsContact CE2-CD 3.47Å; S424-R428 WeakPolarHBondContact O-CB 3.45Å; S424-R428 PolarHBondContact O-N 3.34Å; A425-R428 WeakPolarHBondContact O-CB 3.39Å; A425-R428 PolarHBondContact O-N 3.26Å; V426-R428 PolarHBondContact O-N 2.86Å; R428-M430 VanDerWaalsContact C-N 3.35Å; R428-M430 PolarHBondContact O-N 3.42Å; R428-L431 PolarHBondContact O-N 3.36Å; R428-Q432 HydrophobicContact CG-CG 4.38Å; R428-Q432 WeakPolarHBondContact O-CG 3.47Å; R428-Q432 PolarHBondContact O-N 3.07Å
429H97.2Very high91.8Very high0 Ų014.9 Ų14.90%08%0.077CC..Hα-helixtrans-65.5-38-177.6-65.9-44.1000112A316 V319 T320 Y348 A425 V426 L427 L431 Q432 L433A316-H429 HydrophobicContact CB-CB 3.92Å; V319-H429 HydrophobicContact CG1-CB 4.47Å; T320-H429 PolarHBondContact OG1-CD2 2.87Å; Y348-H429 AromaticContact CE2-CE1 3.66Å; Y348-H429 AromaticContact CE2-NE2 3.39Å; Y348-H429 WeakPolarHBondContact CE2-NE2 3.19Å; Y348-H429 AromaticContact CZ-CE1 3.98Å; Y348-H429 AromaticContact CZ-NE2 3.57Å; Y348-H429 PolarHBondContact OH-NE2 3.09Å; A425-H429 PolarHBondContact O-CD2 3.06Å; A425-H429 PolarHBondContact O-N 3.2Å; V426-H429 PolarHBondContact O-N 3.46Å; L427-H429 PolarHBondContact O-N 3.37Å; H429-L431 VanDerWaalsContact C-N 3.3Å; H429-L431 PolarHBondContact O-N 3.4Å; H429-Q432 PolarHBondContact ND1-OE1 3.07Å; H429-Q432 PolarHBondContact O-N 2.99Å; H429-L433 WeakPolarHBondContact O-CG 3.22Å; H429-L433 PolarHBondContact O-N 3.26Å
430M96.1Very high92.8Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-60.4-40.8175.7-168.3179.5-176.800111.7P5 M312 A313 A316 C369 T372 V373 V426 L427 R428P5-M430 HydrophobicContact CG-CE 4.47Å; M312-M430 HydrophobicContact CB-CG 4.27Å; A313-M430 HydrophobicContact CB-CE 4.05Å; A313-M430 HydrophobicContact CB-SD 4.33Å; A316-M430 HydrophobicContact CB-CB 3.82Å; C369-M430 HydrophobicContact CB-CE 4.42Å; C369-M430 HydrophobicContact CB-CG 4.46Å; C369-M430 HydrophobicContact CB-SD 3.86Å; T372-M430 HydrophobicContact CG2-CE 4.31Å; V373-M430 HydrophobicContact CG2-SD 3.79Å; V426-M430 WeakPolarHBondContact O-CB 3.15Å; V426-M430 PolarHBondContact O-N 3.43Å; L427-M430 PolarHBondContact O-N 3.06Å; R428-M430 VanDerWaalsContact C-N 3.35Å; R428-M430 PolarHBondContact O-N 3.42Å
431L94.2Very high92.8Very high3 Ų312.3 Ų12.32%0.0167%0.067CC..Hα-helixtrans-71.8-37.2175.7-65-179.9000112.4Q356 C369 L427 R428 H429 L433 R434Q356-L431 HydrophobicContact CB-CB 4.19Å; C369-L431 HydrophobicContact CB-CD2 3.72Å; L427-L431 HydrophobicContact CD1-CD1 4.24Å; L427-L431 HydrophobicContact CD1-CG 4.19Å; L427-L431 HydrophobicContact CG-CD1 4.28Å; L427-L431 WeakPolarHBondContact O-CG 3.48Å; L427-L431 PolarHBondContact O-N 2.98Å; R428-L431 PolarHBondContact O-N 3.36Å; H429-L431 VanDerWaalsContact C-N 3.3Å; H429-L431 PolarHBondContact O-N 3.4Å; L431-L433 PolarHBondContact O-N 3.04Å; L431-R434 WeakPolarHBondContact O-CB 3.22Å; L431-R434 PolarHBondContact O-N 2.91Å
432Q94.4Very high92.3Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-63.4-39174.9-74.3172.3-33.500112.4V351 F352 L354 Q356 R428 H429 R434 C435 N436 M465V351-Q432 PolarHBondContact O-NE2 2.71Å; V351-Q432 PolarHBondContact O-OE1 3.34Å; F352-Q432 PolarHBondContact O-NE2 3.27Å; L354-Q432 PolarHBondContact O-NE2 3.28Å; Q356-Q432 HydrophobicContact CB-CG 3.78Å; R428-Q432 HydrophobicContact CG-CG 4.38Å; R428-Q432 WeakPolarHBondContact O-CG 3.47Å; R428-Q432 PolarHBondContact O-N 3.07Å; H429-Q432 PolarHBondContact ND1-OE1 3.07Å; H429-Q432 PolarHBondContact O-N 2.99Å; Q432-R434 PolarHBondContact O-N 3.09Å; Q432-R434 VanDerWaalsContact O-N 3.1Å; Q432-C435 PolarHBondContact O-N 2.99Å; Q432-N436 WeakPolarHBondContact O-CB 3.35Å; Q432-N436 PolarHBondContact O-N 3.16Å; Q432-N436 PolarHBondContact O-ND2 2.73Å; Q432-M465 HydrophobicContact CB-CE 4.17Å
433L94.3Very high91.7Very high3 Ų316 Ų162%0.0169%0.087CC..Hα-helixtrans-59.1-25.7-177.3-75.6168.8000112.8M312 L315 A316 H429 L431 C435 A437 M465M312-L433 HydrophobicContact CB-CD1 4.29Å; M312-L433 HydrophobicContact CG-CB 4.26Å; M312-L433 VanDerWaalsContact O-CD1 3.31Å; M312-L433 WeakPolarHBondContact O-CD1 3.32Å; L315-L433 HydrophobicContact CB-CD1 3.87Å; L315-L433 HydrophobicContact CD2-CD1 4.03Å; L315-L433 HydrophobicContact CD2-CD2 3.42Å; L315-L433 VanDerWaalsContact CD2-CD2 3.42Å; L315-L433 HydrophobicContact CD2-CG 4.39Å; L315-L433 HydrophobicContact CG-CD1 3.84Å; L315-L433 HydrophobicContact CG-CD2 3.88Å; A316-L433 HydrophobicContact CB-CD1 4.09Å; H429-L433 WeakPolarHBondContact O-CG 3.22Å; H429-L433 PolarHBondContact O-N 3.26Å; L431-L433 PolarHBondContact O-N 3.04Å; L433-C435 PolarHBondContact O-N 2.61Å; L433-A437 HydrophobicContact CB-CB 4.1Å; L433-A437 HydrophobicContact CD2-CB 3.59Å; L433-A437 HydrophobicContact CG-CB 4.47Å; L433-A437 WeakPolarHBondContact O-CB 3.48Å; L433-A437 PolarHBondContact O-N 3.31Å; L433-A437 VanDerWaalsContact O-N 3.16Å; L433-M465 HydrophobicContact CD2-CB 4.38Å; L433-M465 HydrophobicContact CD2-CE 3.39Å; L433-M465 HydrophobicContact CD2-SD 4.14Å; L433-M465 HydrophobicContact CG-CE 3.79Å
434R89.3Confident90.6Very high42 Ų4218.6 Ų18.616%0.15810%0.099CC..Hα-helixtrans-59.1-34175.8-75.9-96.239.8169.5-4.3113.4M312 L431 Q432 Q554M312-R434 HydrophobicContact CE-CG 4.21Å; M312-R434 HydrophobicContact SD-CG 4.07Å; L431-R434 WeakPolarHBondContact O-CB 3.22Å; L431-R434 PolarHBondContact O-N 2.91Å; Q432-R434 PolarHBondContact O-N 3.09Å; Q432-R434 VanDerWaalsContact O-N 3.1Å; R434-Q554 WeakPolarHBondContact O-CG 3.37Å; R434-Q554 PolarHBondContact O-NE2 2.96Å
435C89.9Confident89.2Confident13 Ų1323.3 Ų23.39%0.08812%0.124CC..Hα-helixtrans-110.7-21.1-174.5-54.20000113.2Q432 L433 Q554 Y555Q432-C435 PolarHBondContact O-N 2.99Å; L433-C435 PolarHBondContact O-N 2.61Å; C435-Q554 PolarHBondContact SG-O 3.21Å; C435-Y555 HydrophobicContact CB-CD1 4.19Å; C435-Y555 VanDerWaalsContact O-CE1 3.28Å; C435-Y555 WeakPolarHBondContact O-CE1 3.28Å
436N93.1Very high87.4Confident16 Ų1625.4 Ų25.49%0.08614%0.137CC..Hα-helixtrans-118.6-14.9-169.3-59.7-83.6000114.2L354 L355 Q432 M465 S470L354-N436 HydrophobicContact CD1-CB 3.93Å; L355-N436 PolarHBondContact O-ND2 3.37Å; Q432-N436 WeakPolarHBondContact O-CB 3.35Å; Q432-N436 PolarHBondContact O-N 3.16Å; Q432-N436 PolarHBondContact O-ND2 2.73Å; N436-M465 HydrophobicContact CB-SD 3.92Å; N436-S470 PolarHBondContact O-OG 3.48Å
437A93.1Very high85.5Confident19 Ų1926.1 Ų26.116%0.15715%0.145CC..EExtended strand (participates in β ladder)trans-71.1140.2179.900000111.1L433 T463L433-A437 HydrophobicContact CB-CB 4.1Å; L433-A437 HydrophobicContact CD2-CB 3.59Å; L433-A437 HydrophobicContact CG-CB 4.47Å; L433-A437 WeakPolarHBondContact O-CB 3.48Å; L433-A437 PolarHBondContact O-N 3.31Å; L433-A437 VanDerWaalsContact O-N 3.16Å; A437-T463 HydrophobicContact CB-CG2 3.64Å
438Q93.1Very high83.5Confident34 Ų3428.1 Ų28.116%0.15916%0.159CC..EExtended strand (participates in β ladder)trans-110.4134.7177.3-65.7-67.2-1600110.1V440 T463 A464 F466 L469 F484Q438-V440 PolarHBondContact O-N 2.92Å; Q438-T463 WeakPolarHBondContact O-CA 3.46Å; Q438-A464 PolarHBondContact N-O 3.32Å; Q438-A464 PolarHBondContact O-N 3.26Å; Q438-F466 HydrophobicContact CB-CD2 3.89Å; Q438-F466 HydrophobicContact CB-CE2 4.11Å; Q438-F466 HydrophobicContact CG-CD2 4.17Å; Q438-L469 HydrophobicContact CB-CD2 4.48Å; Q438-L469 HydrophobicContact CG-CD2 3.76Å; Q438-F484 HydrophobicContact CB-CZ 4.44Å
439A90.3Very high81.4Confident26 Ų2634 Ų3422%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-77.4117.5169.100000108.5I441 R460 A462 F484A439-I441 PolarHBondContact O-N 2.9Å; A439-R460 HydrophobicContact CB-CB 4.46Å; A439-R460 HydrophobicContact CB-CG 4.07Å; A439-A462 CarbonylContact C-O 3.5Å; A439-A462 WeakPolarHBondContact CA-O 3.39Å; A439-F484 WeakPolarHBondContact O-CE2 3.33Å; A439-F484 WeakPolarHBondContact O-CZ 3.44Å
440V90.3Very high79.3Confident0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-72.3115.1171.2-177.90000107.7Q438 V461 A462 A464 F466 F484 T486 V515Q438-V440 PolarHBondContact O-N 2.92Å; V440-V461 HydrophobicContact CB-CG2 4.25Å; V440-V461 HydrophobicContact CG1-CG2 3.99Å; V440-V461 WeakPolarHBondContact O-CG2 3.27Å; V440-V461 PolarHBondContact O-N 2.99Å; V440-A462 HydrophobicContact CB-CB 4.08Å; V440-A462 HydrophobicContact CG2-CB 4.13Å; V440-A462 PolarHBondContact N-O 3.47Å; V440-A464 HydrophobicContact CG2-CB 3.71Å; V440-F466 HydrophobicContact CG2-CE2 4.44Å; V440-F484 HydrophobicContact CG1-CB 4.17Å; V440-F484 HydrophobicContact CG1-CD1 4.14Å; V440-F484 HydrophobicContact CG1-CG 4.07Å; V440-F484 HydrophobicContact CG2-CD1 4.46Å; V440-F484 HydrophobicContact CG2-CE1 4.37Å; V440-T486 HydrophobicContact CG1-CG2 4.42Å; V440-V515 HydrophobicContact CG1-CG1 3.85Å; V440-V515 HydrophobicContact CG1-CG2 4.39Å; V440-V515 HydrophobicContact CG2-CG1 4.09Å
441I84.9Confident77.6Confident57 Ų5742.1 Ų42.129%0.29223%0.234SC..EExtended strand (participates in β ladder)trans-102.3136.9-179.1-61.9165.1000108.8A439 E458 I459 R460 F484A439-I441 PolarHBondContact O-N 2.9Å; I441-E458 HydrophobicContact CG2-CB 3.77Å; I441-E458 HydrophobicContact CG2-CG 3.95Å; I441-I459 WeakPolarHBondContact CA-O 3.38Å; I441-R460 HydrophobicContact CG1-CG 4.26Å; I441-F484 HydrophobicContact CB-CD2 4.15Å; I441-F484 HydrophobicContact CB-CE2 4.43Å; I441-F484 VanDerWaalsContact N-CD2 3.32Å; I441-F484 WeakPolarHBondContact O-CB 3.34Å
442T78.4Confident76.3Confident25 Ų2548.7 Ų48.715%0.15326%0.258CS..EExtended strand (participates in β ladder)trans-131.7153.9170.1-176.20000108.8R260 I459 V461R260-T442 PolarHBondContact NH2-OG1 2.86Å; T442-I459 HydrophobicContact CG2-CD1 3.92Å; T442-I459 HydrophobicContact CG2-CG1 3.55Å; T442-I459 PolarHBondContact N-O 3.34Å; T442-I459 WeakPolarHBondContact O-CG1 3.37Å; T442-I459 PolarHBondContact O-N 3.32Å; T442-V461 HydrophobicContact CG2-CB 4.33Å; T442-V461 HydrophobicContact CG2-CG1 3.34Å; T442-V461 HydrophobicContact CG2-CG2 4.02Å
443L74.4Confident74.9Confident66 Ų6649.1 Ų49.135%0.34626%0.261SS..EExtended strand (participates in β ladder)trans-76.3132.2168.6-66.6-178.9000109.3V456 E458 E745L443-V456 HydrophobicContact CB-CG1 3.44Å; L443-V456 VanDerWaalsContact CB-CG1 3.44Å; L443-V456 HydrophobicContact CD1-CG1 4.19Å; L443-V456 HydrophobicContact CD2-CG1 3.62Å; L443-V456 HydrophobicContact CG-CG1 3.9Å; L443-E458 HydrophobicContact CD2-CG 3.71Å; L443-E745 VanDerWaalsContact CD1-OE1 3.28Å; L443-E745 WeakPolarHBondContact CD1-OE1 3.3Å
444Q69.4Low73.5Confident57 Ų5752.4 Ų52.427%0.26628%0.276SS..EExtended strand (participates in β ladder)trans-119.1126.3171.8171.8163.968.600109.1T446 V456 E457 I459Q444-T446 PolarHBondContact O-N 3.39Å; Q444-V456 WeakPolarHBondContact O-CA 3.22Å; Q444-E457 PolarHBondContact N-O 3.16Å; Q444-E457 PolarHBondContact O-N 3.31Å; Q444-I459 HydrophobicContact CB-CD1 3.77Å; Q444-I459 HydrophobicContact CB-CG1 3.87Å; Q444-I459 HydrophobicContact CB-CG2 4.12Å; Q444-I459 HydrophobicContact CG-CD1 4.38Å
445D66.2Low72.3Confident100 Ų10051.6 Ų51.654%0.53528%0.277SS..EExtended strand (participates in β ladder)trans-67.4123170.6-166.5-8.4000109.6G447 S455D445-G447 PolarHBondContact OD1-N 3.17Å; D445-S455 CarbonylContact C-O 3.56Å; D445-S455 WeakPolarHBondContact CA-O 3.44Å
446T58.3Low71.2Confident44 Ų4454.1 Ų54.127%0.2729%0.292SS..  trans-106.3-2.7178.356.40000112.3Q444 S455 E457Q444-T446 PolarHBondContact O-N 3.39Å; T446-S455 PolarHBondContact N-O 2.85Å; T446-S455 WeakPolarHBondContact OG1-CB 3.45Å; T446-S455 PolarHBondContact OG1-O 2.94Å; T446-S455 PolarHBondContact OG1-OG 2.89Å; T446-E457 HydrophobicContact CG2-CB 3.7Å
447G56.1Low69.9Low18 Ų1857.9 Ų57.919%0.18631%0.309CS..SBendtrans-73.8159.3175.500000113D445D445-G447 PolarHBondContact OD1-N 3.17Å
448S55Low69Low44 Ų4461.7 Ų61.731%0.30832%0.323SS..  trans-63.1151.7163.563.60000109.9N450 S451S448-N450 PolarHBondContact O-N 3.15Å; S448-S451 WeakPolarHBondContact O-CB 3.46Å; S448-S451 PolarHBondContact O-N 3.27Å
449E52.1Low68.2Low146 Ų14661.5 Ų61.568%0.68232%0.323SS*.THydrogen-bonded Turntrans-55.9-15.2-179.1-69.3-171.5157.500113.5
450N53.4Low67.9Low138 Ų13868.1 Ų68.174%0.73834%0.342SS*.THydrogen-bonded Turntrans-107.211177.1-64.1-37.6000114.1S448 R452S448-N450 PolarHBondContact O-N 3.15Å; N450-R452 PolarHBondContact O-N 3.46Å
451S60.5Low67.8Low34 Ų3468.1 Ų68.124%0.23834%0.342CS..  trans-66.8124.8179.7-171.40000110.4S448 V453S448-S451 WeakPolarHBondContact O-CB 3.46Å; S448-S451 PolarHBondContact O-N 3.27Å; S451-V453 PolarHBondContact O-N 3.32Å; S451-V453 PolarHBondContact OG-O 3.18Å
452R65.9Low68.2Low140 Ų14065.4 Ų65.453%0.52833%0.329SS..SBendtrans-77.7-9.9-179.8-53.9-177.3-177.9164.3-5.9113.5N450 W679 N717N450-R452 PolarHBondContact O-N 3.46Å; R452-W679 HydrophobicContact CB-CH2 3.69Å; R452-W679 HydrophobicContact CB-CZ3 4.33Å; R452-W679 HydrophobicContact CG-CH2 4.18Å; R452-N717 PolarHBondContact O-ND2 2.97Å
453V64.1Low68.9Low10 Ų1064.6 Ų64.66%0.06132%0.324CS..SBendtrans-130.3127174.9179.90000106.9S451 S455 A674 K710 V714S451-V453 PolarHBondContact O-N 3.32Å; S451-V453 PolarHBondContact OG-O 3.18Å; V453-S455 PolarHBondContact O-N 3.24Å; V453-A674 HydrophobicContact CG2-CB 3.54Å; V453-K710 HydrophobicContact CG1-CB 4.47Å; V453-K710 HydrophobicContact CG1-CG 4.46Å; V453-V714 HydrophobicContact CG2-CG2 3.71Å
454Q65.2Low69.8Low72 Ų7261.5 Ų61.534%0.33631%0.307SS..  trans-65.5134.1179.9-74.9169.7-2.700109.9V456 E748Q454-V456 HydrophobicContact CB-CG2 4.26Å; Q454-E748 PolarHBondContact NE2-OE2 3.03Å
455S65.4Low71Confident24 Ų2458.8 Ų58.817%0.16830%0.295CS..  trans-114.5118.9170.5178.50000106.3D445 T446 V453D445-S455 CarbonylContact C-O 3.56Å; D445-S455 WeakPolarHBondContact CA-O 3.44Å; T446-S455 PolarHBondContact N-O 2.85Å; T446-S455 WeakPolarHBondContact OG1-CB 3.45Å; T446-S455 PolarHBondContact OG1-O 2.94Å; T446-S455 PolarHBondContact OG1-OG 2.89Å; V453-S455 PolarHBondContact O-N 3.24Å
456V65.3Low72.3Confident67 Ų6754 Ų5441%0.40627%0.269SS..EExtended strand (participates in β ladder)trans-127.2131.6-172-175.80000109L443 Q444 Q454L443-V456 HydrophobicContact CB-CG1 3.44Å; L443-V456 VanDerWaalsContact CB-CG1 3.44Å; L443-V456 HydrophobicContact CD1-CG1 4.19Å; L443-V456 HydrophobicContact CD2-CG1 3.62Å; L443-V456 HydrophobicContact CG-CG1 3.9Å; Q444-V456 WeakPolarHBondContact O-CA 3.22Å; Q454-V456 HydrophobicContact CB-CG2 4.26Å
457E67.1Low73.8Confident95 Ų9552 Ų5244%0.44426%0.257SS..EExtended strand (participates in β ladder)trans-112.9138.1173-173.6177.7-17800109.9Q444 T446 I459Q444-E457 PolarHBondContact N-O 3.16Å; Q444-E457 PolarHBondContact O-N 3.31Å; T446-E457 HydrophobicContact CG2-CB 3.7Å; E457-I459 HydrophobicContact CG-CG2 4.37Å; E457-I459 PolarHBondContact O-N 3.42Å
458E72.9Confident75.3Confident99 Ų9951.6 Ų51.646%0.46325%0.251SS..EExtended strand (participates in β ladder)trans-75.1116.9168-76.1-176.816900109.8I441 L443I441-E458 HydrophobicContact CG2-CB 3.77Å; I441-E458 HydrophobicContact CG2-CG 3.95Å; L443-E458 HydrophobicContact CD2-CG 3.71Å
459I76.9Confident77.1Confident30 Ų3049.7 Ų49.715%0.15424%0.237CC..EExtended strand (participates in β ladder)trans-112.5139.2175.561.2160.9000110.7I441 T442 Q444 E457 V461I441-I459 WeakPolarHBondContact CA-O 3.38Å; T442-I459 HydrophobicContact CG2-CD1 3.92Å; T442-I459 HydrophobicContact CG2-CG1 3.55Å; T442-I459 PolarHBondContact N-O 3.34Å; T442-I459 WeakPolarHBondContact O-CG1 3.37Å; T442-I459 PolarHBondContact O-N 3.32Å; Q444-I459 HydrophobicContact CB-CD1 3.77Å; Q444-I459 HydrophobicContact CB-CG1 3.87Å; Q444-I459 HydrophobicContact CB-CG2 4.12Å; Q444-I459 HydrophobicContact CG-CD1 4.38Å; E457-I459 HydrophobicContact CG-CG2 4.37Å; E457-I459 PolarHBondContact O-N 3.42Å; I459-V461 HydrophobicContact CD1-CG1 3.58Å; I459-V461 HydrophobicContact CG1-CG1 3.85Å; I459-V461 PolarHBondContact O-N 3Å
460R85.2Confident79Confident164 Ų16443.5 Ų43.562%0.61921%0.21SC*.EExtended strand (participates in β ladder)trans-82.2114.9170.2-61.4179.8-176.5-176.10.4108.1I232 A439 I441I232-R460 HydrophobicContact CD1-CB 3.85Å; A439-R460 HydrophobicContact CB-CB 4.46Å; A439-R460 HydrophobicContact CB-CG 4.07Å; I441-R460 HydrophobicContact CG1-CG 4.26Å
461V87.9Confident80.7Confident0 Ų038 Ų380%018%0.181CC..EExtended strand (participates in β ladder)trans-103.1-27.9-175.3-68.80000113.6L231 I232 A256 V440 T442 I459L231-V461 WeakPolarHBondContact CA-O 3.45Å; L231-V461 VanDerWaalsContact CD2-O 3.25Å; L231-V461 WeakPolarHBondContact CD2-O 3.29Å; I232-V461 PolarHBondContact N-O 3.49Å; A256-V461 HydrophobicContact CB-CB 3.95Å; A256-V461 HydrophobicContact CB-CG1 3.69Å; V440-V461 HydrophobicContact CB-CG2 4.25Å; V440-V461 HydrophobicContact CG1-CG2 3.99Å; V440-V461 WeakPolarHBondContact O-CG2 3.27Å; V440-V461 PolarHBondContact O-N 2.99Å; T442-V461 HydrophobicContact CG2-CB 4.33Å; T442-V461 HydrophobicContact CG2-CG1 3.34Å; T442-V461 HydrophobicContact CG2-CG2 4.02Å; I459-V461 HydrophobicContact CD1-CG1 3.58Å; I459-V461 HydrophobicContact CG1-CG1 3.85Å; I459-V461 PolarHBondContact O-N 3Å
462A91.7Very high82.3Confident0 Ų036.5 Ų36.50%017%0.17CC..EExtended strand (participates in β ladder)trans-150.2159.1-178.900000111.2V230 L265 A439 V440V230-A462 CarbonylContact O-C 3.58Å; V230-A462 WeakPolarHBondContact O-CA 3.46Å; V230-A462 VanDerWaalsContact O-CB 3.26Å; V230-A462 WeakPolarHBondContact O-CB 3.34Å; L265-A462 HydrophobicContact CD1-CB 3.61Å; L265-A462 HydrophobicContact CD2-CB 4.28Å; A439-A462 CarbonylContact C-O 3.5Å; A439-A462 WeakPolarHBondContact CA-O 3.39Å; V440-A462 HydrophobicContact CB-CB 4.08Å; V440-A462 HydrophobicContact CG2-CB 4.13Å; V440-A462 PolarHBondContact N-O 3.47Å
463T93.7Very high83.7Confident9 Ų931.6 Ų31.66%0.05515%0.154CC..EExtended strand (participates in β ladder)trans-106.7133.3165.7-59.70000107.7W229 V230 V311 L315 A437 Q438W229-T463 CarbonylContact C-O 3.57Å; W229-T463 WeakPolarHBondContact CA-O 3.3Å; W229-T463 WeakPolarHBondContact CB-O 3.25Å; V230-T463 PolarHBondContact N-O 3.47Å; V230-T463 PolarHBondContact O-N 3.35Å; V311-T463 HydrophobicContact CG1-CG2 4.45Å; L315-T463 HydrophobicContact CD2-CG2 3.83Å; A437-T463 HydrophobicContact CB-CG2 3.64Å; Q438-T463 WeakPolarHBondContact O-CA 3.46Å
464A94.6Very high85.1Confident0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-141148-171.200000112.4P226 S228 W229 Q438 V440 F466P226-A464 HydrophobicContact CB-CB 3.84Å; P226-A464 HydrophobicContact CG-CB 4.48Å; S228-A464 WeakPolarHBondContact O-CA 3.4Å; W229-A464 HydrophobicContact CB-CB 3.62Å; Q438-A464 PolarHBondContact N-O 3.32Å; Q438-A464 PolarHBondContact O-N 3.26Å; V440-A464 HydrophobicContact CG2-CB 3.71Å; A464-F466 HydrophobicContact CB-CD2 4.04Å; A464-F466 HydrophobicContact CB-CE2 3.52Å; A464-F466 HydrophobicContact CB-CZ 4.29Å
465M94.5Very high86.6Confident0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-104.4113.5176.8-174.372.991.600109.4P226 F227 S228 V319 V351 L354 Q432 L433 N436P226-M465 CarbonylContact C-O 3.52Å; P226-M465 VanDerWaalsContact CA-O 3.24Å; P226-M465 WeakPolarHBondContact CA-O 3.48Å; F227-M465 PolarHBondContact N-O 3.46Å; S228-M465 PolarHBondContact O-N 3.46Å; V319-M465 HydrophobicContact CG2-CB 4.46Å; V351-M465 HydrophobicContact CG1-CE 4.32Å; V351-M465 HydrophobicContact CG1-CG 3.84Å; V351-M465 HydrophobicContact CG2-CG 4.08Å; L354-M465 HydrophobicContact CD1-SD 3.8Å; Q432-M465 HydrophobicContact CB-CE 4.17Å; L433-M465 HydrophobicContact CD2-CB 4.38Å; L433-M465 HydrophobicContact CD2-CE 3.39Å; L433-M465 HydrophobicContact CD2-SD 4.14Å; L433-M465 HydrophobicContact CG-CE 3.79Å; N436-M465 HydrophobicContact CB-SD 3.92Å
466F93.3Very high87.9Confident0 Ų027.8 Ų27.80%013%0.134CC..  trans-108.9114.5-177.7-75.2-93.2000110.5D224 P226 Q438 V440 A464 T468 L469 S470 F484 V515 V517D224-F466 HydrophobicContact CB-CD1 4.09Å; D224-F466 WeakPolarHBondContact OD2-CB 3.31Å; P226-F466 HydrophobicContact CB-CD1 4Å; P226-F466 HydrophobicContact CB-CD2 4.17Å; P226-F466 HydrophobicContact CB-CE1 3.81Å; P226-F466 HydrophobicContact CB-CE2 4Å; P226-F466 HydrophobicContact CB-CG 4.18Å; P226-F466 HydrophobicContact CB-CZ 3.8Å; P226-F466 HydrophobicContact CG-CE1 3.88Å; P226-F466 HydrophobicContact CG-CE2 4.49Å; P226-F466 HydrophobicContact CG-CZ 3.87Å; P226-F466 VanDerWaalsContact N-CE1 3.32Å; Q438-F466 HydrophobicContact CB-CD2 3.89Å; Q438-F466 HydrophobicContact CB-CE2 4.11Å; Q438-F466 HydrophobicContact CG-CD2 4.17Å; V440-F466 HydrophobicContact CG2-CE2 4.44Å; A464-F466 HydrophobicContact CB-CD2 4.04Å; A464-F466 HydrophobicContact CB-CE2 3.52Å; A464-F466 HydrophobicContact CB-CZ 4.29Å; F466-T468 PolarHBondContact O-N 3.39Å; F466-L469 HydrophobicContact CB-CB 3.55Å; F466-L469 HydrophobicContact CB-CD2 4.12Å; F466-L469 HydrophobicContact CB-CG 4.42Å; F466-L469 HydrophobicContact CD2-CD2 4.12Å; F466-L469 HydrophobicContact CG-CB 4.22Å; F466-L469 HydrophobicContact CG-CD2 4.04Å; F466-S470 WeakPolarHBondContact O-CB 3.36Å; F466-S470 PolarHBondContact O-N 3.03Å; F466-S470 PolarHBondContact O-OG 3Å; F466-F484 AromaticContact CE2-CE1 3.79Å; F466-F484 HydrophobicContact CE2-CE1 3.79Å; F466-F484 HydrophobicContact CZ-CD1 4.17Å; F466-F484 AromaticContact CZ-CE1 3.73Å; F466-F484 HydrophobicContact CZ-CE1 3.73Å; F466-V515 HydrophobicContact CZ-CG1 4.18Å; F466-V517 HydrophobicContact CD1-CB 4.5Å; F466-V517 HydrophobicContact CD1-CG1 3.57Å; F466-V517 HydrophobicContact CE1-CB 3.87Å; F466-V517 HydrophobicContact CE1-CG1 3.38Å; F466-V517 HydrophobicContact CG-CG1 4.42Å; F466-V517 HydrophobicContact CZ-CB 4.2Å; F466-V517 HydrophobicContact CZ-CG1 4.12Å
467P89.1Confident89.1Confident3 Ų329.9 Ų29.92%0.01914%0.135CC..THydrogen-bonded Turntrans-60.4-43-173.7-19.729.1000113.6R225 F227 P347 T350 V351R225-P467 WeakPolarHBondContact O-CD 3.31Å; F227-P467 HydrophobicContact CB-CG 4.09Å; P347-P467 HydrophobicContact CB-CG 4.04Å; T350-P467 HydrophobicContact CG2-CB 4.05Å; T350-P467 WeakPolarHBondContact CG2-O 3.47Å; V351-P467 HydrophobicContact CG2-CB 4.04Å; V351-P467 HydrophobicContact CG2-CG 3.79Å
468T88.6Confident90.4Very high9 Ų926.7 Ų26.76%0.05512%0.122CC..THydrogen-bonded Turntrans-91.2-39.9-171.7-42.60000110.9I193 D224 F466 S470 L471I193-T468 HydrophobicContact CD1-CG2 3.79Å; I193-T468 HydrophobicContact CG1-CG2 3.45Å; I193-T468 VanDerWaalsContact CG1-CG2 3.45Å; D224-T468 PolarHBondContact OD1-OG1 3.02Å; D224-T468 WeakPolarHBondContact OD2-CA 3.48Å; D224-T468 VanDerWaalsContact OD2-CB 3.26Å; D224-T468 WeakPolarHBondContact OD2-CB 3.47Å; D224-T468 PolarHBondContact OD2-N 2.87Å; F466-T468 PolarHBondContact O-N 3.39Å; T468-S470 PolarHBondContact O-N 3.43Å; T468-L471 VanDerWaalsContact O-CB 3.31Å; T468-L471 WeakPolarHBondContact O-CB 3.39Å; T468-L471 WeakPolarHBondContact O-CG 3.28Å; T468-L471 PolarHBondContact O-N 2.82Å; T468-L471 VanDerWaalsContact O-N 3.1Å
469L92.3Very high91.5Very high3 Ų322.2 Ų22.22%0.01610%0.101CC..G310 helixtrans-61.5-34.1178.9-178.866.9000112L222 D224 Q438 F466 L471 L472 L482 V517 V519L222-L469 HydrophobicContact CD1-CD1 4.42Å; D224-L469 HydrophobicContact CB-CB 4.5Å; D224-L469 PolarHBondContact OD2-N 2.95Å; Q438-L469 HydrophobicContact CB-CD2 4.48Å; Q438-L469 HydrophobicContact CG-CD2 3.76Å; F466-L469 HydrophobicContact CB-CB 3.55Å; F466-L469 HydrophobicContact CB-CD2 4.12Å; F466-L469 HydrophobicContact CB-CG 4.42Å; F466-L469 HydrophobicContact CD2-CD2 4.12Å; F466-L469 HydrophobicContact CG-CB 4.22Å; F466-L469 HydrophobicContact CG-CD2 4.04Å; L469-L471 PolarHBondContact O-N 3.22Å; L469-L471 VanDerWaalsContact O-N 3.09Å; L469-L472 HydrophobicContact CD1-CD1 3.61Å; L469-L472 HydrophobicContact CD1-CG 4.46Å; L469-L472 PolarHBondContact O-N 3.18Å; L469-L472 VanDerWaalsContact O-N 3.12Å; L469-L482 HydrophobicContact CD1-CD1 3.57Å; L469-L482 HydrophobicContact CD2-CD1 3.74Å; L469-L482 HydrophobicContact CG-CD1 4.23Å; L469-V517 HydrophobicContact CD2-CG1 3.98Å; L469-V517 HydrophobicContact CD2-CG2 4.14Å; L469-V519 HydrophobicContact CD1-CG2 3.66Å
470S91.9Very high92.3Very high17 Ų1721 Ų2112%0.11910%0.095CC..G310 helixtrans-65.2-6.2176.7-64.80000114.2N436 F466 T468N436-S470 PolarHBondContact O-OG 3.48Å; F466-S470 WeakPolarHBondContact O-CB 3.36Å; F466-S470 PolarHBondContact O-N 3.03Å; F466-S470 PolarHBondContact O-OG 3Å; T468-S470 PolarHBondContact O-N 3.43Å
471L89.6Confident92.6Very high22 Ų2214 Ų1412%0.1157%0.072CC..G310 helixtrans-84.7-6.6173.2-56.6177.8000113.5V199 C207 H208 L209 T468 L469 N473V199-L471 HydrophobicContact CG1-CD1 4.43Å; V199-L471 HydrophobicContact CG2-CD1 4.09Å; C207-L471 HydrophobicContact CB-CD2 3.93Å; H208-L471 WeakPolarHBondContact CA-O 3.44Å; L209-L471 HydrophobicContact CD2-CB 4.17Å; L209-L471 HydrophobicContact CD2-CD1 4.2Å; L209-L471 HydrophobicContact CG-CB 4.19Å; T468-L471 VanDerWaalsContact O-CB 3.31Å; T468-L471 WeakPolarHBondContact O-CB 3.39Å; T468-L471 WeakPolarHBondContact O-CG 3.28Å; T468-L471 PolarHBondContact O-N 2.82Å; T468-L471 VanDerWaalsContact O-N 3.1Å; L469-L471 PolarHBondContact O-N 3.22Å; L469-L471 VanDerWaalsContact O-N 3.09Å; L471-N473 PolarHBondContact O-N 2.98Å
472L93.4Very high92.7Very high3 Ų315.7 Ų15.72%0.0168%0.081CC..PPolyproline II helixtrans-80.1116.8177.2-67.2-178.6000110.2L209 L222 L469 V519 I531 H533 Y535L209-L472 HydrophobicContact CB-CD2 4.27Å; L209-L472 HydrophobicContact CD1-CD2 3.67Å; L209-L472 HydrophobicContact CG-CD2 4.14Å; L222-L472 HydrophobicContact CD2-CD1 4.17Å; L222-L472 HydrophobicContact CD2-CD2 4.14Å; L222-L472 HydrophobicContact CD2-CG 4.21Å; L469-L472 HydrophobicContact CD1-CD1 3.61Å; L469-L472 HydrophobicContact CD1-CG 4.46Å; L469-L472 PolarHBondContact O-N 3.18Å; L469-L472 VanDerWaalsContact O-N 3.12Å; L472-V519 HydrophobicContact CD1-CG1 4.1Å; L472-V519 HydrophobicContact CD1-CG2 4.1Å; L472-I531 HydrophobicContact CD2-CB 4Å; L472-I531 HydrophobicContact CD2-CG2 3.58Å; L472-H533 HydrophobicContact CB-CB 3.84Å; L472-H533 HydrophobicContact CD1-CB 3.9Å; L472-Y535 VanDerWaalsContact O-CE1 3.23Å; L472-Y535 WeakPolarHBondContact O-CE1 3.43Å; L472-Y535 PolarHBondContact O-OH 3.1Å
473N94.3Very high92.6Very high36 Ų3617.7 Ų17.719%0.1939%0.092CC..EExtended strand (participates in β ladder)trans-74.3165174.8-85-27.5000113.1K205 H208 L471 E530 L532 H533 Y535K205-N473 PolarHBondContact O-ND2 3.3Å; K205-N473 VanDerWaalsContact O-ND2 3.12Å; H208-N473 WeakPolarHBondContact CB-ND2 3.41Å; L471-N473 PolarHBondContact O-N 2.98Å; N473-E530 VanDerWaalsContact CB-OE1 3.26Å; N473-E530 WeakPolarHBondContact CB-OE1 3.49Å; N473-E530 PolarHBondContact ND2-OE1 3.34Å; N473-L532 HydrophobicContact CB-CD2 3.85Å; N473-L532 WeakPolarHBondContact O-CA 3.49Å; N473-H533 PolarHBondContact O-N 3.18Å; N473-Y535 WeakPolarHBondContact CA-OH 3.26Å
474H94.8Very high92.3Very high18 Ų1818.6 Ų18.68%0.08310%0.096CC..EExtended strand (participates in β ladder)trans-81138.4-175.8-176.778.9000114.2C476 H533 Y535 L551 F557H474-C476 PolarHBondContact NE2-N 3.19Å; H474-C476 PolarHBondContact NE2-SG 3.16Å; H474-H533 CarbonylContact C-O 3.55Å; H474-H533 WeakPolarHBondContact CA-O 3.29Å; H474-Y535 HydrophobicContact CB-CD1 4.23Å; H474-Y535 HydrophobicContact CB-CD2 3.85Å; H474-Y535 HydrophobicContact CB-CE1 4.19Å; H474-Y535 HydrophobicContact CB-CE2 3.83Å; H474-Y535 HydrophobicContact CB-CG 4.06Å; H474-Y535 AromaticContact ND1-CG 3.56Å; H474-Y535 PolarHBondContact ND1-N 3.04Å; H474-Y535 VanDerWaalsContact ND1-N 3.11Å; H474-L551 WeakPolarHBondContact NE2-CD1 3.23Å; H474-F557 HydrophobicContact CB-CE1 4.36Å; H474-F557 HydrophobicContact CB-CE2 4.26Å; H474-F557 HydrophobicContact CB-CZ 3.54Å; H474-F557 AromaticContact CD2-CZ 3.91Å; H474-F557 AromaticContact CG-CZ 3.8Å
475S95.6Very high91.8Very high8 Ų821.4 Ų21.46%0.05612%0.116CC..  trans-138140.2154.2174.50000110.1R477 H533 C534S475-R477 PolarHBondContact O-N 3.33Å; S475-R477 VanDerWaalsContact OG-C 3.31Å; S475-R477 PolarHBondContact OG-N 3.03Å; S475-R477 PolarHBondContact OG-O 3.12Å; S475-H533 PolarHBondContact N-O 2.9Å; S475-C534 WeakPolarHBondContact O-CB 3.27Å
476C93.4Very high90.9Very high0 Ų023 Ų230%013%0.125CC..SBendtrans-66.9-19.9175.1-600000112.4H474 S539 R547 C559 C561 A563 C564H474-C476 PolarHBondContact NE2-N 3.19Å; H474-C476 PolarHBondContact NE2-SG 3.16Å; C476-S539 PolarHBondContact O-N 2.81Å; C476-S539 PolarHBondContact O-OG 3.06Å; C476-R547 PolarHBondContact SG-NE 3.4Å; C476-C559 VanDerWaalsContact SG-SG 3.63Å; C476-C561 VanDerWaalsContact CB-SG 3.6Å; C476-C561 PolarHBondContact N-SG 3.44Å; C476-C561 VanDerWaalsContact N-SG 3.43Å; C476-A563 HydrophobicContact CB-CB 4.32Å; C476-C564 VanDerWaalsContact SG-SG 3.62Å
477R91.3Very high89.5Confident112 Ų11223.8 Ų23.842%0.42313%0.134SC..SBendtrans-126.483.6172.1-174.6-176.7-72151-2.3108S475 A563 D566S475-R477 PolarHBondContact O-N 3.33Å; S475-R477 VanDerWaalsContact OG-C 3.31Å; S475-R477 PolarHBondContact OG-N 3.03Å; S475-R477 PolarHBondContact OG-O 3.12Å; R477-A563 HydrophobicContact CB-CB 3.81Å; R477-D566 IonicContact NH1-OD2 3.59Å; R477-D566 PolarHBondContact NH1-OD2 3.1Å
478P93.8Very high88Confident28 Ų2828.7 Ų28.718%0.18216%0.163CC..  trans-72.4156.3-172.431.5-36.6000112T480 L532 C534P478-T480 VanDerWaalsContact C-N 3.31Å; P478-L532 WeakPolarHBondContact CB-O 3.18Å; P478-C534 HydrophobicContact CB-CB 4.33Å; P478-C534 HydrophobicContact CG-CB 3.82Å
479N94.9Very high86.1Confident4 Ų430.2 Ų30.22%0.02118%0.177CC..SBendtrans-94.710.7170.159.58.2000112.3T522 R523 I525 E530 L532N479-T522 WeakPolarHBondContact CA-OG1 3.36Å; N479-T522 PolarHBondContact O-N 3.39Å; N479-T522 PolarHBondContact O-OG1 2.72Å; N479-R523 HydrophobicContact CB-CG 4.18Å; N479-I525 HydrophobicContact CB-CD1 4.11Å; N479-I525 HydrophobicContact CB-CG1 4.21Å; N479-E530 PolarHBondContact ND2-O 3.32Å; N479-L532 PolarHBondContact N-O 3.37Å; N479-L532 PolarHBondContact OD1-N 3.23Å; N479-L532 PolarHBondContact OD1-O 3.06Å; N479-L532 VanDerWaalsContact OD1-O 3.13Å
480T94.7Very high83.7Confident5 Ų536.2 Ų36.23%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-129.3156.2178.364.20000113I221 P478 V519 R520 I531 L532I221-T480 HydrophobicContact CD1-CG2 3.68Å; P478-T480 VanDerWaalsContact C-N 3.31Å; T480-V519 HydrophobicContact CG2-CG1 3.8Å; T480-R520 CarbonylContact C-O 3.58Å; T480-R520 WeakPolarHBondContact CA-O 3.49Å; T480-I531 HydrophobicContact CG2-CG2 3.39Å; T480-L532 PolarHBondContact N-O 3.26Å; T480-L532 PolarHBondContact OG1-O 2.76Å
481S91.6Very high81Confident18 Ų1836.4 Ų36.413%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-124.8147.8166.455.40000109.9V519 R520 H738S481-V519 WeakPolarHBondContact O-CA 3.49Å; S481-R520 PolarHBondContact N-O 3.08Å; S481-R520 PolarHBondContact O-N 3.44Å; S481-H738 WeakPolarHBondContact CB-ND1 3.44Å; S481-H738 PolarHBondContact OG-ND1 3.16Å
482L90.5Very high78.2Confident35 Ų3540.2 Ų40.218%0.18324%0.24CC..EExtended strand (participates in β ladder)trans-122130.2-172.7-173.7154000109.7L469 F484 V517L469-L482 HydrophobicContact CD1-CD1 3.57Å; L469-L482 HydrophobicContact CD2-CD1 3.74Å; L469-L482 HydrophobicContact CG-CD1 4.23Å; L482-F484 HydrophobicContact CD2-CD1 4.33Å; L482-F484 HydrophobicContact CD2-CD2 3.66Å; L482-F484 HydrophobicContact CD2-CE1 3.99Å; L482-F484 HydrophobicContact CD2-CE2 3.27Å; L482-F484 HydrophobicContact CD2-CG 4.18Å; L482-F484 HydrophobicContact CD2-CZ 3.46Å; L482-F484 VanDerWaalsContact CD2-CZ 3.46Å; L482-V517 HydrophobicContact CD1-CG2 3.78Å; L482-V517 HydrophobicContact CD2-CG2 3.41Å; L482-V517 VanDerWaalsContact CD2-CG2 3.41Å; L482-V517 HydrophobicContact CG-CG2 3.37Å
483V87.8Confident75.3Confident41 Ų4145.8 Ų45.825%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-127.9127176.1178.10000109.5V517 T518 H738V483-V517 WeakPolarHBondContact O-CA 3.49Å; V483-T518 PolarHBondContact N-O 3.15Å; V483-T518 PolarHBondContact O-N 2.92Å; V483-H738 WeakPolarHBondContact CG2-O 3.35Å
484F88.3Confident72.1Confident28 Ų2846.1 Ų46.112%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-88.4144.5170.6-64.8-75.7000110.4Q438 A439 V440 I441 F466 L482 V515 T516 V517Q438-F484 HydrophobicContact CB-CZ 4.44Å; A439-F484 WeakPolarHBondContact O-CE2 3.33Å; A439-F484 WeakPolarHBondContact O-CZ 3.44Å; V440-F484 HydrophobicContact CG1-CB 4.17Å; V440-F484 HydrophobicContact CG1-CD1 4.14Å; V440-F484 HydrophobicContact CG1-CG 4.07Å; V440-F484 HydrophobicContact CG2-CD1 4.46Å; V440-F484 HydrophobicContact CG2-CE1 4.37Å; I441-F484 HydrophobicContact CB-CD2 4.15Å; I441-F484 HydrophobicContact CB-CE2 4.43Å; I441-F484 VanDerWaalsContact N-CD2 3.32Å; I441-F484 WeakPolarHBondContact O-CB 3.34Å; F466-F484 AromaticContact CE2-CE1 3.79Å; F466-F484 HydrophobicContact CE2-CE1 3.79Å; F466-F484 HydrophobicContact CZ-CD1 4.17Å; F466-F484 AromaticContact CZ-CE1 3.73Å; F466-F484 HydrophobicContact CZ-CE1 3.73Å; L482-F484 HydrophobicContact CD2-CD1 4.33Å; L482-F484 HydrophobicContact CD2-CD2 3.66Å; L482-F484 HydrophobicContact CD2-CE1 3.99Å; L482-F484 HydrophobicContact CD2-CE2 3.27Å; L482-F484 HydrophobicContact CD2-CG 4.18Å; L482-F484 HydrophobicContact CD2-CZ 3.46Å; L482-F484 VanDerWaalsContact CD2-CZ 3.46Å; F484-V515 HydrophobicContact CD1-CG1 4.33Å; F484-T516 WeakPolarHBondContact CA-O 3.44Å; F484-V517 HydrophobicContact CD1-CB 3.84Å; F484-V517 HydrophobicContact CD1-CG2 3.93Å; F484-V517 HydrophobicContact CE1-CB 3.9Å; F484-V517 HydrophobicContact CE1-CG2 3.81Å; F484-V517 HydrophobicContact CZ-CG2 4.43Å
485S83.3Confident69Low60 Ų6051.1 Ų51.142%0.4232%0.323SS..EExtended strand (participates in β ladder)trans-125.8124.8169.1-66.50000109.1V515 T516S485-V515 WeakPolarHBondContact O-CA 2.77Å; S485-T516 PolarHBondContact N-O 3.03Å; S485-T516 PolarHBondContact O-N 3.43Å
486T76.8Confident66Low33 Ų3358 Ų5820%0.20235%0.354CS..EExtended strand (participates in β ladder)trans-100.9120.4170.7680000107.7R260 V440 V515R260-T486 PolarHBondContact NH1-OG1 2.99Å; V440-T486 HydrophobicContact CG1-CG2 4.42Å; T486-V515 HydrophobicContact CG2-CG2 3.94Å
487G63.6Low62.9Low17 Ų1765.5 Ų65.518%0.17539%0.394CS..PPolyproline II helixtrans-55.5153.2-176.600000114.2A266 G514A266-G487 WeakPolarHBondContact CA-O 3.48Å; A266-G487 WeakPolarHBondContact CB-O 3.14Å; G487-G514 PolarHBondContact N-O 3.1Å; G487-G514 VanDerWaalsContact N-O 3.09Å
488T58.1Low60.2Low105 Ų10565.9 Ų65.964%0.64441%0.414SS*.PPolyproline II helixtrans-82.8154.5169.956.10000110.3D490T488-D490 PolarHBondContact O-N 3.22Å; T488-D490 VanDerWaalsContact O-N 3.16Å
489A48.4Very low56.9Low42 Ų4271.9 Ų71.935%0.34744%0.44SS..THydrogen-bonded Turntrans-65.5-15-179.100000113.7G491A489-G491 PolarHBondContact O-N 2.77Å
490D42Very low53.8Low128 Ų12874.3 Ų74.368%0.68447%0.466SS*.THydrogen-bonded Turntrans-91.715-165.7-62.2-34.2000115.7T488T488-D490 PolarHBondContact O-N 3.22Å; T488-D490 VanDerWaalsContact O-N 3.16Å
491G35.5Very low50.9Low22 Ų2279.9 Ų79.923%0.22749%0.49CS..SBendtrans-63.3129172.500000111.2A489 V493 R513A489-G491 PolarHBondContact O-N 2.77Å; G491-V493 PolarHBondContact O-N 3.49Å; G491-R513 PolarHBondContact O-NH2 2.9Å
492P29.4Very low47.9Very low102 Ų10285.6 Ų85.666%0.66252%0.519SS*.  trans-59.1127.1-173.522.8-31.8000110.9G494 Q511P492-G494 PolarHBondContact O-N 2.87Å; P492-Q511 PolarHBondContact O-OE1 2.99Å; P492-Q511 VanDerWaalsContact O-OE1 3.06Å
493V32.7Very low45.1Very low119 Ų11991.7 Ų91.772%0.72155%0.547SS*.  trans-78.597.5172.7-179.70000107.4G491G491-V493 PolarHBondContact O-N 3.49Å
494G28.3Very low42.8Very low43 Ų4395.7 Ų95.744%0.44356%0.557SS.*  trans-66.2131.6162.100000109.3P492 Q496P492-G494 PolarHBondContact O-N 2.87Å; G494-Q496 PolarHBondContact O-N 3.48Å
495S29.5Very low40.5Very low124 Ų12499.7 Ų99.787%0.86758%0.579SS**  trans-57.5118.4170.948.20000109.7
496Q32.8Very low38.4Very low152 Ų152100.7 Ų100.771%0.7158%0.579SS**  trans-108.9117.2170.7-73.9-162.7-15.900109.8G494G494-Q496 PolarHBondContact O-N 3.48Å
497D28.2Very low36.3Very low157 Ų157102.2 Ų102.284%0.8460%0.602SS**  trans-66.7157.3160.2-76.5-41.1000110.5E499D497-E499 PolarHBondContact O-N 3.4Å; D497-E499 VanDerWaalsContact O-N 3.12Å
498S33.3Very low34.9Very low121 Ų121110.2 Ų110.285%0.84664%0.635SS**  trans-64.9103-171.459.30000113.6
499E26.5Very low33.8Very low153 Ų153113.6 Ų113.672%0.71564%0.643SS**  trans-128.9142.4159-71-165.6166.200112D497 R504D497-E499 PolarHBondContact O-N 3.4Å; D497-E499 VanDerWaalsContact O-N 3.12Å; E499-R504 PolarHBondContact O-NH2 3.28Å
500G28.5Very low33.5Very low55 Ų55117.2 Ų117.257%0.56765%0.648SS**  trans-68.1158.4-156.200000117.6N502 Q503G500-N502 VanDerWaalsContact C-N 3.3Å; G500-N502 PolarHBondContact O-N 3.49Å; G500-Q503 PolarHBondContact O-N 2.89Å
501F33.3Very low33.7Very low123 Ų123117 Ų11754%0.53964%0.643SS.*G310 helixtrans-56.5-30.7-170.5-172.1-102.9000115.4Q503F501-Q503 PolarHBondContact O-N 3.25Å
502N29.7Very low34.3Very low137 Ų137119 Ų11973%0.73366%0.664SS**G310 helixtrans-83.1-11.7-170.8-72.9-29.3000115G500G500-N502 VanDerWaalsContact C-N 3.3Å; G500-N502 PolarHBondContact O-N 3.49Å
503Q30.6Very low35.7Very low164 Ų164116.6 Ų116.677%0.76664%0.641SS**G310 helixtrans-98.5-4.7-177.5-138.6159.59.900113.8G500 F501G500-Q503 PolarHBondContact O-N 2.89Å; F501-Q503 PolarHBondContact O-N 3.25Å
504R40.7Very low37.6Very low124 Ų124111.4 Ų111.447%0.46861%0.612SS.*THydrogen-bonded Turntrans-86.2-3.7178.1-64-175.3-155.3-175.64.6114.7E499 L506E499-R504 PolarHBondContact O-NH2 3.28Å; R504-L506 VanDerWaalsContact C-N 3.25Å; R504-L506 PolarHBondContact O-N 2.84Å
505L38.7Very low40.4Very low112 Ų112109.5 Ų109.559%0.58659%0.592SS**THydrogen-bonded Turntrans-75-12.4-179.5-91.5148.4000113.3
506L39.6Very low43.2Very low81 Ų81105.1 Ų105.142%0.42456%0.56SS.*SBendtrans-149.5114.5-173.3-62.1169.1000111Q344 Y345 R504Q344-L506 HydrophobicContact CG-CD1 3.49Å; Q344-L506 VanDerWaalsContact CG-CD1 3.49Å; Y345-L506 WeakPolarHBondContact O-CD2 3.22Å; R504-L506 VanDerWaalsContact C-N 3.25Å; R504-L506 PolarHBondContact O-N 2.84Å
507G33.5Very low46Very low66 Ų6697.9 Ų97.968%0.6853%0.526SS*.SBendtrans128.899.316300000116.7E509G507-E509 PolarHBondContact O-N 3.41Å
508E34.2Very low49Very low184 Ų18491.8 Ų91.886%0.8650%0.495SS*.SBendtrans51.5-7.8137.2-61-169.114200124.3
509E35Very low51.9Low176 Ų17686 Ų8682%0.82246%0.455SS*.  trans-132.841180-70.1-165.7162.500115.8G507 Q511G507-E509 PolarHBondContact O-N 3.41Å; E509-Q511 PolarHBondContact O-N 2.91Å
510W41.8Very low55.1Low118 Ų11880.5 Ų80.545%0.44743%0.427SS..  trans-85.796.3166.4-97.161000111.7R225 G512R225-W510 PolarHBondContact NH2-O 2.67Å; W510-G512 PolarHBondContact O-N 3.28Å
511Q45.2Very low58.3Low124 Ų12477.9 Ų77.958%0.57940%0.4SS*.  trans-52.1110.7173.5-70.1174-16.100112.1P492 E509 R513P492-Q511 PolarHBondContact O-OE1 2.99Å; P492-Q511 VanDerWaalsContact O-OE1 3.06Å; E509-Q511 PolarHBondContact O-N 2.91Å; Q511-R513 PolarHBondContact O-N 3.02Å
512G48.4Very low61.1Low64 Ų6473.6 Ų73.666%0.6638%0.384SS*.SBendtrans49.9-4.4148.300000122.6W510W510-G512 PolarHBondContact O-N 3.28Å
513R59.1Low64.1Low51 Ų5172 Ų7219%0.19237%0.368CS..  trans-104.6134.3-174.2-66.3-173.1-167.7-163.5-1.4111.6G491 Q511G491-R513 PolarHBondContact O-NH2 2.9Å; Q511-R513 PolarHBondContact O-N 3.02Å
514G73.8Confident67.2Low11 Ų1166.9 Ų66.911%0.11335%0.346CS..SBendtrans121.3-176177.200000113C264 G487C264-G514 CarbonylContact O-C 3.58Å; C264-G514 WeakPolarHBondContact O-CA 3.27Å; G487-G514 PolarHBondContact N-O 3.1Å; G487-G514 VanDerWaalsContact N-O 3.09Å
515V85.8Confident69.9Low3 Ų361 Ų612%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-90.4136.1172.2174.80000110.3P226 L265 V440 F466 F484 S485 T486P226-V515 WeakPolarHBondContact CD-O 3.46Å; P226-V515 HydrophobicContact CG-CB 4.27Å; L265-V515 HydrophobicContact CB-CG2 3.58Å; L265-V515 HydrophobicContact CD1-CB 4.23Å; L265-V515 HydrophobicContact CD1-CG2 3.18Å; L265-V515 HydrophobicContact CG-CG2 3.75Å; V440-V515 HydrophobicContact CG1-CG1 3.85Å; V440-V515 HydrophobicContact CG1-CG2 4.39Å; V440-V515 HydrophobicContact CG2-CG1 4.09Å; F466-V515 HydrophobicContact CZ-CG1 4.18Å; F484-V515 HydrophobicContact CD1-CG1 4.33Å; S485-V515 WeakPolarHBondContact O-CA 2.77Å; T486-V515 HydrophobicContact CG2-CG2 3.94Å
516T88.8Confident72.7Confident32 Ų3259.9 Ų59.920%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-128.5156.2171.659.20000108.9F191 R225 F484 S485F191-T516 HydrophobicContact CE1-CG2 3.63Å; F191-T516 HydrophobicContact CZ-CG2 3.94Å; R225-T516 HydrophobicContact CG-CG2 4.08Å; F484-T516 WeakPolarHBondContact CA-O 3.44Å; S485-T516 PolarHBondContact N-O 3.03Å; S485-T516 PolarHBondContact O-N 3.43Å
517V90.9Very high75.4Confident0 Ų059.1 Ų59.10%032%0.323CS..EExtended strand (participates in β ladder)trans-125.8136.6171.365.10000109S223 D224 F466 L469 L482 V483 F484S223-V517 CarbonylContact C-O 3.58Å; S223-V517 WeakPolarHBondContact CA-O 3.5Å; D224-V517 HydrophobicContact CB-CG1 3.63Å; D224-V517 PolarHBondContact N-O 3.32Å; D224-V517 PolarHBondContact O-N 3.48Å; F466-V517 HydrophobicContact CD1-CB 4.5Å; F466-V517 HydrophobicContact CD1-CG1 3.57Å; F466-V517 HydrophobicContact CE1-CB 3.87Å; F466-V517 HydrophobicContact CE1-CG1 3.38Å; F466-V517 HydrophobicContact CG-CG1 4.42Å; F466-V517 HydrophobicContact CZ-CB 4.2Å; F466-V517 HydrophobicContact CZ-CG1 4.12Å; L469-V517 HydrophobicContact CD2-CG1 3.98Å; L469-V517 HydrophobicContact CD2-CG2 4.14Å; L482-V517 HydrophobicContact CD1-CG2 3.78Å; L482-V517 HydrophobicContact CD2-CG2 3.41Å; L482-V517 VanDerWaalsContact CD2-CG2 3.41Å; L482-V517 HydrophobicContact CG-CG2 3.37Å; V483-V517 WeakPolarHBondContact O-CA 3.49Å; F484-V517 HydrophobicContact CD1-CB 3.84Å; F484-V517 HydrophobicContact CD1-CG2 3.93Å; F484-V517 HydrophobicContact CE1-CB 3.9Å; F484-V517 HydrophobicContact CE1-CG2 3.81Å; F484-V517 HydrophobicContact CZ-CG2 4.43Å
518T91.6Very high78.4Confident29 Ų2958.8 Ų58.818%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-118.8130.9174-55.20000108.8V220 V483 R520V220-T518 HydrophobicContact CB-CG2 4.49Å; V220-T518 HydrophobicContact CG1-CG2 3.78Å; V220-T518 HydrophobicContact CG2-CG2 3.95Å; V483-T518 PolarHBondContact N-O 3.15Å; V483-T518 PolarHBondContact O-N 2.92Å; T518-R520 HydrophobicContact CG2-CG 4.3Å
519V93.7Very high81.3Confident0 Ų052.5 Ų52.50%029%0.29CS..EExtended strand (participates in β ladder)trans-109.6128.4175.5-173.40000108.6I221 L222 L469 L472 T480 S481I221-V519 PolarHBondContact N-O 3.14Å; L222-V519 HydrophobicContact CD1-CB 4.37Å; L222-V519 HydrophobicContact CD1-CG2 3.66Å; L222-V519 HydrophobicContact CD2-CB 4.41Å; L222-V519 HydrophobicContact CD2-CG2 4.13Å; L222-V519 HydrophobicContact CG-CB 3.85Å; L222-V519 HydrophobicContact CG-CG2 3.65Å; L222-V519 PolarHBondContact N-O 2.61Å; L222-V519 PolarHBondContact O-N 3.04Å; L469-V519 HydrophobicContact CD1-CG2 3.66Å; L472-V519 HydrophobicContact CD1-CG1 4.1Å; L472-V519 HydrophobicContact CD1-CG2 4.1Å; T480-V519 HydrophobicContact CG2-CG1 3.8Å; S481-V519 WeakPolarHBondContact O-CA 3.49Å
520R94.1Very high84.2Confident37 Ų3745.3 Ų45.314%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-121.3149.8-179.6-71.3173.6174.3-102.6-9.5111.2G218 E219 V220 T480 S481 T518 H738 C739 G740G218-R520 PolarHBondContact O-NH1 2.88Å; E219-R520 VanDerWaalsContact O-CA 3.27Å; E219-R520 WeakPolarHBondContact O-CA 3.47Å; V220-R520 HydrophobicContact CG2-CG 4.1Å; T480-R520 CarbonylContact C-O 3.58Å; T480-R520 WeakPolarHBondContact CA-O 3.49Å; S481-R520 PolarHBondContact N-O 3.08Å; S481-R520 PolarHBondContact O-N 3.44Å; T518-R520 HydrophobicContact CG2-CG 4.3Å; R520-H738 WeakPolarHBondContact CD-O 3.5Å; R520-C739 PolarHBondContact NH1-O 3.26Å; R520-G740 VanDerWaalsContact NH2-CA 3.3Å
521A95.2Very high86.8Confident0 Ų039.7 Ų39.70%024%0.236CC..EExtended strand (participates in β ladder)trans-69.5127.7172.200000110.3I215 G218 E219 I221 I525 L737I215-A521 HydrophobicContact CG2-CB 3.94Å; G218-A521 PolarHBondContact N-O 3.42Å; E219-A521 PolarHBondContact O-N 3.45Å; I221-A521 HydrophobicContact CD1-CB 3.9Å; I221-A521 HydrophobicContact CG1-CB 4.38Å; A521-I525 HydrophobicContact CB-CD1 4.03Å; A521-I525 HydrophobicContact CB-CG1 4.45Å; A521-L737 WeakPolarHBondContact O-CD1 3.45Å
522T92.7Very high89.2Confident33 Ų3335.6 Ų35.620%0.20222%0.218CC..SBendtrans-90.6-10.9177.354.70000113.2N479 L737N479-T522 WeakPolarHBondContact CA-OG1 3.36Å; N479-T522 PolarHBondContact O-N 3.39Å; N479-T522 PolarHBondContact O-OG1 2.72Å; T522-L737 WeakPolarHBondContact O-CD2 3.33Å
523R92.9Very high91.4Very high104 Ų10433.9 Ų33.939%0.39219%0.192SC..SBendtrans-149.9172.3173.659.7168.9-179.289.5-10.9108.2N479 I525 E529N479-R523 HydrophobicContact CB-CG 4.18Å; R523-I525 PolarHBondContact O-N 2.9Å; R523-E529 IonicContact CZ-OE1 2.68Å; R523-E529 IonicContact NH1-OE1 3.48Å; R523-E529 PolarHBondContact NH1-OE1 3.45Å; R523-E529 VanDerWaalsContact NH1-OE1 3.08Å; R523-E529 IonicContact NH1-OE2 3.8Å; R523-E529 PolarHBondContact NH1-OE2 3.21Å; R523-E529 IonicContact NH2-OE1 3.88Å; R523-E529 PolarHBondContact NH2-OE1 2.91Å
524D95.8Very high93Very high56 Ų5632.2 Ų32.230%0.29919%0.189SC..  trans-61.9135.1167.7-67.3-11000110R214 I215 A217R214-D524 IonicContact CZ-OD2 2.97Å; R214-D524 IonicContact NE-OD2 2.92Å; R214-D524 IonicContact NH2-OD2 3.49Å; R214-D524 PolarHBondContact NH2-OD2 3.05Å; I215-D524 WeakPolarHBondContact O-CA 3.35Å; A217-D524 PolarHBondContact N-OD1 3.45Å
525I97.2Very high93.8Very high0 Ų034 Ų340%019%0.192CC..BIsolated β-bridgetrans-118.1122.7177.6-54.1175.6000107.3A211 R214 I215 I221 N479 A521 R523 E529 I531A211-I525 HydrophobicContact CB-CG2 3.99Å; R214-I525 CarbonylContact C-O 3.57Å; R214-I525 VanDerWaalsContact CA-O 3.27Å; R214-I525 WeakPolarHBondContact CA-O 3.48Å; I215-I525 HydrophobicContact CB-CB 4.26Å; I215-I525 PolarHBondContact N-O 3.23Å; I215-I525 PolarHBondContact O-N 3.4Å; I221-I525 HydrophobicContact CD1-CD1 3.89Å; N479-I525 HydrophobicContact CB-CD1 4.11Å; N479-I525 HydrophobicContact CB-CG1 4.21Å; A521-I525 HydrophobicContact CB-CD1 4.03Å; A521-I525 HydrophobicContact CB-CG1 4.45Å; R523-I525 PolarHBondContact O-N 2.9Å; I525-E529 HydrophobicContact CG2-CB 3.63Å; I525-I531 HydrophobicContact CD1-CD1 3.89Å; I525-I531 HydrophobicContact CG2-CD1 4Å
526N97.6Very high93.9Very high88 Ų8836.4 Ų36.447%0.47122%0.217SC..  trans-82.2160.5-177.7-59.3-69.5000111.7A211 G528 E529A211-N526 WeakPolarHBondContact CB-O 3.39Å; N526-G528 PolarHBondContact O-N 2.85Å; N526-E529 HydrophobicContact CB-CG 4.3Å; N526-E529 WeakPolarHBondContact CB-OE2 3.43Å; N526-E529 PolarHBondContact N-OE2 3.43Å; N526-E529 PolarHBondContact ND2-OE2 2.92Å; N526-E529 WeakPolarHBondContact O-CB 3.32Å; N526-E529 PolarHBondContact O-N 3.41Å; N526-E529 VanDerWaalsContact O-N 3.09Å
527A96.8Very high93.7Very high65 Ų6535.3 Ų35.354%0.53721%0.21SC..THydrogen-bonded Turntrans-56.3133.1172.200000110.7E529A527-E529 VanDerWaalsContact C-N 3.32Å
528G94.9Very high93.6Very high59 Ų5936.7 Ų36.761%0.60822%0.218SC*.THydrogen-bonded Turntrans85.8-11.7-176.800000115.1A211 N526A211-G528 PolarHBondContact O-N 3.27Å; N526-G528 PolarHBondContact O-N 2.85Å
529E95.8Very high93.4Very high52 Ų5235.7 Ų35.724%0.24321%0.212CC..  trans-71.3141.4172.5-74.7-171.291.500110.9A211 R523 I525 N526 A527A211-E529 PolarHBondContact N-O 2.87Å; R523-E529 IonicContact CZ-OE1 2.68Å; R523-E529 IonicContact NH1-OE1 3.48Å; R523-E529 PolarHBondContact NH1-OE1 3.45Å; R523-E529 VanDerWaalsContact NH1-OE1 3.08Å; R523-E529 IonicContact NH1-OE2 3.8Å; R523-E529 PolarHBondContact NH1-OE2 3.21Å; R523-E529 IonicContact NH2-OE1 3.88Å; R523-E529 PolarHBondContact NH2-OE1 2.91Å; I525-E529 HydrophobicContact CG2-CB 3.63Å; N526-E529 HydrophobicContact CB-CG 4.3Å; N526-E529 WeakPolarHBondContact CB-OE2 3.43Å; N526-E529 PolarHBondContact N-OE2 3.43Å; N526-E529 PolarHBondContact ND2-OE2 2.92Å; N526-E529 WeakPolarHBondContact O-CB 3.32Å; N526-E529 PolarHBondContact O-N 3.41Å; N526-E529 VanDerWaalsContact O-N 3.09Å; A527-E529 VanDerWaalsContact C-N 3.32Å
530E95.5Very high92.9Very high25 Ų2538.2 Ų38.212%0.11723%0.226CC..BIsolated β-bridgetrans-74.5142.4173.6-172.5172.1-177.200110.7K205 H208 L209 N473 N479 L532K205-E530 WeakPolarHBondContact CD-OE2 3.5Å; K205-E530 WeakPolarHBondContact CE-OE2 3.45Å; K205-E530 IonicContact NZ-OE2 2.68Å; K205-E530 PolarHBondContact NZ-OE2 3.15Å; H208-E530 WeakPolarHBondContact CB-OE1 3.44Å; H208-E530 IonicContact CD2-OE1 3.58Å; H208-E530 IonicContact CG-OE1 3.7Å; L209-E530 WeakPolarHBondContact O-CA 3.4Å; L209-E530 WeakPolarHBondContact O-CG 3.37Å; N473-E530 VanDerWaalsContact CB-OE1 3.26Å; N473-E530 WeakPolarHBondContact CB-OE1 3.49Å; N473-E530 PolarHBondContact ND2-OE1 3.34Å; N479-E530 PolarHBondContact ND2-O 3.32Å; E530-L532 HydrophobicContact CB-CD2 4.38Å; E530-L532 HydrophobicContact CB-CG 4.22Å; E530-L532 HydrophobicContact CG-CD2 3.79Å; E530-L532 HydrophobicContact CG-CG 4.05Å
531I96.6Very high92.2Very high0 Ų042.8 Ų42.80%024%0.243CC..  trans-85.8114.5172.8-47.6-55.7000108.1V197 L209 A211 I215 I221 L472 T480 I525V197-I531 HydrophobicContact CG1-CG1 4.03Å; V197-I531 HydrophobicContact CG2-CD1 4.17Å; V197-I531 HydrophobicContact CG2-CG1 4.11Å; L209-I531 HydrophobicContact CB-CB 3.88Å; L209-I531 HydrophobicContact CB-CG1 3.96Å; L209-I531 PolarHBondContact O-N 2.79Å; A211-I531 HydrophobicContact CB-CD1 4.15Å; I215-I531 HydrophobicContact CD1-CD1 4.05Å; I221-I531 HydrophobicContact CD1-CD1 4.48Å; I221-I531 HydrophobicContact CD1-CG2 3.97Å; I221-I531 HydrophobicContact CG2-CG1 4.38Å; I221-I531 HydrophobicContact CG2-CG2 4.01Å; L472-I531 HydrophobicContact CD2-CB 4Å; L472-I531 HydrophobicContact CD2-CG2 3.58Å; T480-I531 HydrophobicContact CG2-CG2 3.39Å; I525-I531 HydrophobicContact CD1-CD1 3.89Å; I525-I531 HydrophobicContact CG2-CD1 4Å
532L95.6Very high91.5Very high39 Ų3945.5 Ų45.520%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-119.6138.3-169.4-65.4165.2000111N473 P478 N479 T480 E530N473-L532 HydrophobicContact CB-CD2 3.85Å; N473-L532 WeakPolarHBondContact O-CA 3.49Å; P478-L532 WeakPolarHBondContact CB-O 3.18Å; N479-L532 PolarHBondContact N-O 3.37Å; N479-L532 PolarHBondContact OD1-N 3.23Å; N479-L532 PolarHBondContact OD1-O 3.06Å; N479-L532 VanDerWaalsContact OD1-O 3.13Å; T480-L532 PolarHBondContact N-O 3.26Å; T480-L532 PolarHBondContact OG1-O 2.76Å; E530-L532 HydrophobicContact CB-CD2 4.38Å; E530-L532 HydrophobicContact CB-CG 4.22Å; E530-L532 HydrophobicContact CG-CD2 3.79Å; E530-L532 HydrophobicContact CG-CG 4.05Å
533H94.9Very high90.9Very high27 Ų2746 Ų4613%0.12527%0.268CS..EExtended strand (participates in β ladder)trans-118.4168175.7-170.255.3000111.3L472 N473 H474 S475L472-H533 HydrophobicContact CB-CB 3.84Å; L472-H533 HydrophobicContact CD1-CB 3.9Å; N473-H533 PolarHBondContact O-N 3.18Å; H474-H533 CarbonylContact C-O 3.55Å; H474-H533 WeakPolarHBondContact CA-O 3.29Å; S475-H533 PolarHBondContact N-O 2.9Å
534C92.4Very high90.7Very high17 Ų1741.5 Ų41.512%0.11525%0.252CS..  trans-108.6126.5175.6-178.70000110.3S475 P478 G536 P537S475-C534 WeakPolarHBondContact O-CB 3.27Å; P478-C534 HydrophobicContact CB-CB 4.33Å; P478-C534 HydrophobicContact CG-CB 3.82Å; C534-G536 PolarHBondContact O-N 2.73Å; C534-G536 VanDerWaalsContact O-N 3.15Å; C534-P537 VanDerWaalsContact SG-C 3.59Å; C534-P537 PolarHBondContact SG-O 3.37Å; C534-P537 VanDerWaalsContact SG-O 3.42Å
535Y91.4Very high90.3Very high49 Ų4947 Ų4719%0.19228%0.276CS..  trans-82.212.3-175.5-66.9-3.5000113.3L472 N473 H474 P537 L551 Y555 F557L472-Y535 VanDerWaalsContact O-CE1 3.23Å; L472-Y535 WeakPolarHBondContact O-CE1 3.43Å; L472-Y535 PolarHBondContact O-OH 3.1Å; N473-Y535 WeakPolarHBondContact CA-OH 3.26Å; H474-Y535 HydrophobicContact CB-CD1 4.23Å; H474-Y535 HydrophobicContact CB-CD2 3.85Å; H474-Y535 HydrophobicContact CB-CE1 4.19Å; H474-Y535 HydrophobicContact CB-CE2 3.83Å; H474-Y535 HydrophobicContact CB-CG 4.06Å; H474-Y535 AromaticContact ND1-CG 3.56Å; H474-Y535 PolarHBondContact ND1-N 3.04Å; H474-Y535 VanDerWaalsContact ND1-N 3.11Å; Y535-P537 WeakPolarHBondContact O-CD 3.32Å; Y535-L551 HydrophobicContact CD2-CD2 4.45Å; Y535-Y555 AromaticContact CD2-CD1 3.7Å; Y535-Y555 HydrophobicContact CD2-CD1 3.7Å; Y535-Y555 AromaticContact CD2-CD2 3.95Å; Y535-Y555 HydrophobicContact CD2-CD2 3.95Å; Y535-Y555 AromaticContact CD2-CE1 3.63Å; Y535-Y555 HydrophobicContact CD2-CE1 3.63Å; Y535-Y555 AromaticContact CD2-CE2 3.89Å; Y535-Y555 HydrophobicContact CD2-CE2 3.89Å; Y535-Y555 AromaticContact CD2-CG 3.86Å; Y535-Y555 HydrophobicContact CD2-CG 3.86Å; Y535-Y555 AromaticContact CD2-CZ 3.74Å; Y535-Y555 AromaticContact CE2-CD1 3.95Å; Y535-Y555 HydrophobicContact CE2-CD1 3.95Å; Y535-Y555 HydrophobicContact CE2-CE1 4.14Å; Y535-Y555 HydrophobicContact CE2-CG 4.31Å; Y535-Y555 HydrophobicContact CG-CE1 4.25Å; Y535-Y555 HydrophobicContact CG-CE2 4.31Å; Y535-Y555 PolarHBondContact O-OH 3.27Å; Y535-F557 HydrophobicContact CD2-CE1 4.4Å; Y535-F557 HydrophobicContact CE2-CE1 4.34Å
536G86.5Confident89.8Confident52 Ų5250.4 Ų50.454%0.53629%0.292SS..SBendtrans120.6-55.4-17300000112.9C534 N538C534-G536 PolarHBondContact O-N 2.73Å; C534-G536 VanDerWaalsContact O-N 3.15Å; G536-N538 PolarHBondContact O-N 3.49Å
537P86.4Confident89.6Confident9 Ų946.2 Ų46.26%0.05827%0.269CS..  trans-67.891.4179.8-24.637.6000112.7C534 Y535 R547 L550 L551C534-P537 VanDerWaalsContact SG-C 3.59Å; C534-P537 PolarHBondContact SG-O 3.37Å; C534-P537 VanDerWaalsContact SG-O 3.42Å; Y535-P537 WeakPolarHBondContact O-CD 3.32Å; P537-R547 HydrophobicContact CB-CB 3.84Å; P537-R547 HydrophobicContact CB-CG 3.88Å; P537-L550 HydrophobicContact CG-CB 4.06Å; P537-L550 HydrophobicContact CG-CD1 4.46Å; P537-L551 HydrophobicContact CB-CD1 4.46Å; P537-L551 HydrophobicContact CB-CD2 4.43Å; P537-L551 HydrophobicContact CB-CG 4.21Å; P537-L551 HydrophobicContact CG-CD2 3.89Å; P537-L551 HydrophobicContact CG-CG 3.95Å
538N88.6Confident89.5Confident30 Ų3045 Ų4516%0.1625%0.251CS..  trans-99.8140.6-176.6-172.8-68.6000111.9G536 N540 R541 M542 R547G536-N538 PolarHBondContact O-N 3.49Å; N538-N540 PolarHBondContact O-N 3.39Å; N538-N540 VanDerWaalsContact OD1-CB 3.31Å; N538-N540 WeakPolarHBondContact OD1-CB 3.47Å; N538-N540 PolarHBondContact OD1-N 3.36Å; N538-R541 PolarHBondContact O-N 3.48Å; N538-R541 VanDerWaalsContact O-N 3.13Å; N538-M542 PolarHBondContact O-N 3.43Å; N538-M542 VanDerWaalsContact O-N 3.13Å; N538-R547 VanDerWaalsContact C-CD 3.48Å; N538-R547 WeakPolarHBondContact O-CD 3.49Å
539S87.6Confident89.5Confident8 Ų847.5 Ų47.56%0.05624%0.242CC..THydrogen-bonded Turntrans-60.7-26.5-177.859.50000114.6C476 R541C476-S539 PolarHBondContact O-N 2.81Å; C476-S539 PolarHBondContact O-OG 3.06Å; S539-R541 VanDerWaalsContact C-N 3.34Å
540N83.1Confident89.4Confident53 Ų5347.5 Ų47.528%0.28324%0.243SC..THydrogen-bonded Turntrans-82.9-13.3-178-61.7-10.6000112.7N538 Q696 Y697N538-N540 PolarHBondContact O-N 3.39Å; N538-N540 VanDerWaalsContact OD1-CB 3.31Å; N538-N540 WeakPolarHBondContact OD1-CB 3.47Å; N538-N540 PolarHBondContact OD1-N 3.36Å; N540-Q696 VanDerWaalsContact CB-O 3.31Å; N540-Q696 WeakPolarHBondContact CB-O 3.34Å; N540-Q696 VanDerWaalsContact CG-O 3.3Å; N540-Q696 WeakPolarHBondContact O-CG 3.38Å; N540-Q696 PolarHBondContact O-NE2 3.45Å; N540-Y697 HydrophobicContact CB-CD1 3.87Å; N540-Y697 HydrophobicContact CB-CE1 4.22Å; N540-Y697 PolarHBondContact ND2-O 3.49Å
541R78.7Confident89.3Confident133 Ų13346.3 Ų46.350%0.50224%0.238SC..THydrogen-bonded Turntrans-113.4-23.8-175.6-61-175.3-175-1640.4112.9N538 S539 Y697 E703N538-R541 PolarHBondContact O-N 3.48Å; N538-R541 VanDerWaalsContact O-N 3.13Å; S539-R541 VanDerWaalsContact C-N 3.34Å; R541-Y697 HydrophobicContact CG-CE1 3.76Å; R541-E703 IonicContact CZ-OE1 2.71Å; R541-E703 IonicContact NH2-OE1 2.71Å; R541-E703 PolarHBondContact NH2-OE1 3.14Å
542M79.9Confident89.1Confident56 Ų5650.3 Ų50.328%0.27626%0.256SS..SBendtrans-145.7144.4-165.8-54.2-177.869.300110.5N538 E546 R547 L550N538-M542 PolarHBondContact O-N 3.43Å; N538-M542 VanDerWaalsContact O-N 3.13Å; M542-E546 HydrophobicContact CE-CG 3.54Å; M542-R547 HydrophobicContact CB-CG 3.64Å; M542-R547 PolarHBondContact O-NH1 2.74Å; M542-L550 HydrophobicContact CE-CD1 3.24Å; M542-L550 HydrophobicContact SD-CD1 4.27Å
543G81.3Confident88.8Confident43 Ų4353.7 Ų53.744%0.44327%0.271SS..  trans-76.5158175.900000113.4E545 E546 R547G543-E545 PolarHBondContact O-N 2.98Å; G543-E546 PolarHBondContact O-N 3.17Å; G543-R547 WeakPolarHBondContact O-CG 3.49Å; G543-R547 PolarHBondContact O-N 2.92Å
544T87.8Confident88.5Confident10 Ų1055.6 Ų55.66%0.06128%0.28CS..Hα-helixtrans-54.1-45.6-172.1-59.90000114.6E546 R547 R548 C564 Q567 E568T544-E546 PolarHBondContact O-N 3.12Å; T544-R547 PolarHBondContact O-N 3.49Å; T544-R547 PolarHBondContact OG1-NH2 2.86Å; T544-R548 HydrophobicContact CG2-CG 4.44Å; T544-R548 WeakPolarHBondContact O-CB 3.45Å; T544-R548 PolarHBondContact O-N 3.13Å; T544-C564 HydrophobicContact CG2-CB 3.95Å; T544-Q567 WeakPolarHBondContact OG1-CB 3.46Å; T544-Q567 PolarHBondContact OG1-OE1 2.86Å; T544-E568 HydrophobicContact CG2-CG 4.38Å
545E87.2Confident88.5Confident171 Ų17155.9 Ų55.980%0.79928%0.279SS*.Hα-helixtrans-59.4-48.3-179.1-173.9179.8-176.400111.4G543 R548 R549G543-E545 PolarHBondContact O-N 2.98Å; E545-R548 PolarHBondContact O-N 3.48Å; E545-R549 WeakPolarHBondContact O-CB 3.47Å; E545-R549 PolarHBondContact O-N 3.46Å
546E87.9Confident88.5Confident73 Ų7355.1 Ų55.134%0.34128%0.276SS..Hα-helixtrans-66.7-39.9178.4-178.463.9-177.200111.8M542 G543 T544 R549 L550M542-E546 HydrophobicContact CE-CG 3.54Å; G543-E546 PolarHBondContact O-N 3.17Å; T544-E546 PolarHBondContact O-N 3.12Å; E546-R549 VanDerWaalsContact CD-NH2 3.27Å; E546-R549 PolarHBondContact O-N 2.99Å; E546-R549 IonicContact OE1-CZ 3.88Å; E546-R549 IonicContact OE1-NE 3.85Å; E546-R549 IonicContact OE1-NH2 3.4Å; E546-R549 PolarHBondContact OE1-NH2 3.47Å; E546-R549 IonicContact OE2-CZ 2.67Å; E546-R549 IonicContact OE2-NE 3.1Å; E546-R549 PolarHBondContact OE2-NE 3.19Å; E546-R549 IonicContact OE2-NH2 3.3Å; E546-R549 PolarHBondContact OE2-NH2 3.17Å; E546-R549 VanDerWaalsContact OE2-NH2 3.11Å; E546-L550 HydrophobicContact CG-CD1 4.41Å; E546-L550 WeakPolarHBondContact O-CG 3.44Å; E546-L550 PolarHBondContact O-N 3.15Å
547R93.7Very high88.7Confident0 Ų055.9 Ų55.90%027%0.265CS..Hα-helixtrans-60.1-49.1175.8-66.6-167.9-46.7-922.2111.4C476 P537 N538 M542 G543 T544 L550 L551 A563 C564C476-R547 PolarHBondContact SG-NE 3.4Å; P537-R547 HydrophobicContact CB-CB 3.84Å; P537-R547 HydrophobicContact CB-CG 3.88Å; N538-R547 VanDerWaalsContact C-CD 3.48Å; N538-R547 WeakPolarHBondContact O-CD 3.49Å; M542-R547 HydrophobicContact CB-CG 3.64Å; M542-R547 PolarHBondContact O-NH1 2.74Å; G543-R547 WeakPolarHBondContact O-CG 3.49Å; G543-R547 PolarHBondContact O-N 2.92Å; T544-R547 PolarHBondContact O-N 3.49Å; T544-R547 PolarHBondContact OG1-NH2 2.86Å; R547-L550 PolarHBondContact O-N 2.94Å; R547-L551 WeakPolarHBondContact O-CB 3.49Å; R547-L551 VanDerWaalsContact O-CG 3.25Å; R547-L551 WeakPolarHBondContact O-CG 3.36Å; R547-L551 PolarHBondContact O-N 2.86Å; R547-A563 PolarHBondContact NH2-O 3.37Å; R547-C564 PolarHBondContact NH2-SG 3.21Å; R547-C564 VanDerWaalsContact NH2-SG 3.38Å
548R94.2Very high89.1Confident39 Ų3959.9 Ų59.915%0.14729%0.285CS..Hα-helixtrans-64.3-39.9179.2-78174.4169.71696.9111.9T544 E545 L551 Q552 L558 C559 E568T544-R548 HydrophobicContact CG2-CG 4.44Å; T544-R548 WeakPolarHBondContact O-CB 3.45Å; T544-R548 PolarHBondContact O-N 3.13Å; E545-R548 PolarHBondContact O-N 3.48Å; R548-L551 PolarHBondContact O-N 3.47Å; R548-Q552 VanDerWaalsContact O-CB 3.22Å; R548-Q552 WeakPolarHBondContact O-CB 3.26Å; R548-Q552 PolarHBondContact O-N 3.5Å; R548-L558 HydrophobicContact CB-CD1 3.96Å; R548-L558 HydrophobicContact CG-CD1 3.85Å; R548-C559 HydrophobicContact CG-CB 4.47Å; R548-C559 PolarHBondContact NE-O 2.82Å; R548-C559 PolarHBondContact NH2-O 3.49Å; R548-E568 IonicContact CZ-OE1 2.7Å; R548-E568 IonicContact CZ-OE2 2.71Å; R548-E568 IonicContact NH1-OE1 3.05Å; R548-E568 PolarHBondContact NH1-OE1 3.5Å; R548-E568 IonicContact NH1-OE2 2.88Å; R548-E568 PolarHBondContact NH1-OE2 3.03Å; R548-E568 VanDerWaalsContact NH2-CD 3.32Å; R548-E568 IonicContact NH2-OE1 3.72Å; R548-E568 IonicContact NH2-OE2 3.34Å; R548-E568 PolarHBondContact NH2-OE2 3.43Å
549R94.3Very high89.3Confident112 Ų11258.6 Ų58.642%0.42328%0.278SS..Hα-helixtrans-57.1-52.3174.2-174.3-177.473.388.6-2.3111.4E545 E546 L551 Q552 E553E545-R549 WeakPolarHBondContact O-CB 3.47Å; E545-R549 PolarHBondContact O-N 3.46Å; E546-R549 VanDerWaalsContact CD-NH2 3.27Å; E546-R549 PolarHBondContact O-N 2.99Å; E546-R549 IonicContact OE1-CZ 3.88Å; E546-R549 IonicContact OE1-NE 3.85Å; E546-R549 IonicContact OE1-NH2 3.4Å; E546-R549 PolarHBondContact OE1-NH2 3.47Å; E546-R549 IonicContact OE2-CZ 2.67Å; E546-R549 IonicContact OE2-NE 3.1Å; E546-R549 PolarHBondContact OE2-NE 3.19Å; E546-R549 IonicContact OE2-NH2 3.3Å; E546-R549 PolarHBondContact OE2-NH2 3.17Å; E546-R549 VanDerWaalsContact OE2-NH2 3.11Å; R549-L551 PolarHBondContact O-N 3.22Å; R549-Q552 PolarHBondContact O-N 2.89Å; R549-E553 HydrophobicContact CG-CG 4.48Å; R549-E553 VanDerWaalsContact CG-OE1 3.29Å; R549-E553 WeakPolarHBondContact CG-OE1 3.39Å; R549-E553 IonicContact CZ-OE1 2.79Å; R549-E553 IonicContact NH1-OE1 3.31Å; R549-E553 PolarHBondContact NH1-OE1 3.06Å; R549-E553 IonicContact NH1-OE2 3.65Å; R549-E553 PolarHBondContact NH1-OE2 3.25Å; R549-E553 WeakPolarHBondContact O-CB 3.44Å; R549-E553 VanDerWaalsContact O-CG 3.3Å; R549-E553 WeakPolarHBondContact O-CG 3.22Å; R549-E553 PolarHBondContact O-N 2.75Å
550L92.8Very high89.6Confident51 Ų5165.7 Ų65.727%0.26731%0.31SS..Hα-helixtrans-64.7-39-179.9-67.2177.8000112.9P537 M542 E546 R547 Q554P537-L550 HydrophobicContact CG-CB 4.06Å; P537-L550 HydrophobicContact CG-CD1 4.46Å; M542-L550 HydrophobicContact CE-CD1 3.24Å; M542-L550 HydrophobicContact SD-CD1 4.27Å; E546-L550 HydrophobicContact CG-CD1 4.41Å; E546-L550 WeakPolarHBondContact O-CG 3.44Å; E546-L550 PolarHBondContact O-N 3.15Å; R547-L550 PolarHBondContact O-N 2.94Å; L550-Q554 PolarHBondContact O-N 2.7Å; L550-Q554 VanDerWaalsContact O-N 3.15Å
551L93.8Very high90.1Very high0 Ų064.1 Ų64.10%030%0.303CS..Hα-helixtrans-66-41.5176-68.9168.7000111.6H474 Y535 P537 R547 R548 R549 Y555 Y556 F557 C559H474-L551 WeakPolarHBondContact NE2-CD1 3.23Å; Y535-L551 HydrophobicContact CD2-CD2 4.45Å; P537-L551 HydrophobicContact CB-CD1 4.46Å; P537-L551 HydrophobicContact CB-CD2 4.43Å; P537-L551 HydrophobicContact CB-CG 4.21Å; P537-L551 HydrophobicContact CG-CD2 3.89Å; P537-L551 HydrophobicContact CG-CG 3.95Å; R547-L551 WeakPolarHBondContact O-CB 3.49Å; R547-L551 VanDerWaalsContact O-CG 3.25Å; R547-L551 WeakPolarHBondContact O-CG 3.36Å; R547-L551 PolarHBondContact O-N 2.86Å; R548-L551 PolarHBondContact O-N 3.47Å; R549-L551 PolarHBondContact O-N 3.22Å; L551-Y555 HydrophobicContact CD2-CD2 3.88Å; L551-Y555 HydrophobicContact CD2-CE2 4.22Å; L551-Y555 CarbonylContact O-C 3.41Å; L551-Y555 VanDerWaalsContact O-CA 3.31Å; L551-Y555 WeakPolarHBondContact O-CA 3.47Å; L551-Y555 WeakPolarHBondContact O-CB 3.31Å; L551-Y555 PolarHBondContact O-N 3Å; L551-Y556 PolarHBondContact O-N 3.07Å; L551-Y556 VanDerWaalsContact O-N 3.14Å; L551-F557 HydrophobicContact CB-CE1 4.24Å; L551-F557 HydrophobicContact CB-CZ 4.17Å; L551-F557 HydrophobicContact CD1-CE2 4.43Å; L551-F557 HydrophobicContact CD1-CZ 4.06Å; L551-F557 HydrophobicContact CD2-CE1 4.12Å; L551-F557 HydrophobicContact CD2-CZ 3.91Å; L551-F557 HydrophobicContact CG-CZ 4.26Å; L551-C559 HydrophobicContact CD1-CB 3.54Å
552Q92.9Very high90.7Very high84 Ų8464 Ų6439%0.39331%0.309SS..Hα-helixtrans-66.8-41.3176.9-173.264.348.700111.9R548 R549 Y556 F557R548-Q552 VanDerWaalsContact O-CB 3.22Å; R548-Q552 WeakPolarHBondContact O-CB 3.26Å; R548-Q552 PolarHBondContact O-N 3.5Å; R549-Q552 PolarHBondContact O-N 2.89Å; Q552-Y556 WeakPolarHBondContact O-CA 3.33Å; Q552-Y556 PolarHBondContact O-N 2.99Å; Q552-F557 VanDerWaalsContact OE1-C 3.23Å; Q552-F557 PolarHBondContact OE1-O 3.3Å
553E90.2Very high91.2Very high111 Ų11161.3 Ų61.352%0.51930%0.296SS..Hα-helixtrans-65.5-37.9-179.6-78.4173.6-172.400112.8R549R549-E553 HydrophobicContact CG-CG 4.48Å; R549-E553 VanDerWaalsContact CG-OE1 3.29Å; R549-E553 WeakPolarHBondContact CG-OE1 3.39Å; R549-E553 IonicContact CZ-OE1 2.79Å; R549-E553 IonicContact NH1-OE1 3.31Å; R549-E553 PolarHBondContact NH1-OE1 3.06Å; R549-E553 IonicContact NH1-OE2 3.65Å; R549-E553 PolarHBondContact NH1-OE2 3.25Å; R549-E553 WeakPolarHBondContact O-CB 3.44Å; R549-E553 VanDerWaalsContact O-CG 3.3Å; R549-E553 WeakPolarHBondContact O-CG 3.22Å; R549-E553 PolarHBondContact O-N 2.75Å
554Q88.5Confident91.7Very high66 Ų6659.3 Ų59.331%0.30827%0.274SS..Hα-helixtrans-101.5-38.9-174.7-178.4170.5-10.600114.3R434 C435 L550 Y556R434-Q554 WeakPolarHBondContact O-CG 3.37Å; R434-Q554 PolarHBondContact O-NE2 2.96Å; C435-Q554 PolarHBondContact SG-O 3.21Å; L550-Q554 PolarHBondContact O-N 2.7Å; L550-Q554 VanDerWaalsContact O-N 3.15Å; Q554-Y556 WeakPolarHBondContact O-CE2 3.43Å
555Y91.5Very high91.7Very high24 Ų2460.9 Ų60.99%0.09429%0.286CS..Hα-helixtrans-116.4-0.2-171.7-54.7-84.1000113.1C435 Y535 L551 F557C435-Y555 HydrophobicContact CB-CD1 4.19Å; C435-Y555 VanDerWaalsContact O-CE1 3.28Å; C435-Y555 WeakPolarHBondContact O-CE1 3.28Å; Y535-Y555 AromaticContact CD2-CD1 3.7Å; Y535-Y555 HydrophobicContact CD2-CD1 3.7Å; Y535-Y555 AromaticContact CD2-CD2 3.95Å; Y535-Y555 HydrophobicContact CD2-CD2 3.95Å; Y535-Y555 AromaticContact CD2-CE1 3.63Å; Y535-Y555 HydrophobicContact CD2-CE1 3.63Å; Y535-Y555 AromaticContact CD2-CE2 3.89Å; Y535-Y555 HydrophobicContact CD2-CE2 3.89Å; Y535-Y555 AromaticContact CD2-CG 3.86Å; Y535-Y555 HydrophobicContact CD2-CG 3.86Å; Y535-Y555 AromaticContact CD2-CZ 3.74Å; Y535-Y555 AromaticContact CE2-CD1 3.95Å; Y535-Y555 HydrophobicContact CE2-CD1 3.95Å; Y535-Y555 HydrophobicContact CE2-CE1 4.14Å; Y535-Y555 HydrophobicContact CE2-CG 4.31Å; Y535-Y555 HydrophobicContact CG-CE1 4.25Å; Y535-Y555 HydrophobicContact CG-CE2 4.31Å; Y535-Y555 PolarHBondContact O-OH 3.27Å; L551-Y555 HydrophobicContact CD2-CD2 3.88Å; L551-Y555 HydrophobicContact CD2-CE2 4.22Å; L551-Y555 CarbonylContact O-C 3.41Å; L551-Y555 VanDerWaalsContact O-CA 3.31Å; L551-Y555 WeakPolarHBondContact O-CA 3.47Å; L551-Y555 WeakPolarHBondContact O-CB 3.31Å; L551-Y555 PolarHBondContact O-N 3Å; Y555-F557 VanDerWaalsContact C-N 3.28Å; Y555-F557 HydrophobicContact CG-CE1 4.29Å; Y555-F557 PolarHBondContact O-N 3.07Å
556Y91.8Very high91.6Very high33 Ų3355 Ų5513%0.12926%0.26CS..  trans62.824.5169.8-46.4-76.3000116H357 H360 Q361 L551 Q552 Q554H357-Y556 HydrophobicContact CB-CD2 3.33Å; H357-Y556 HydrophobicContact CB-CE2 3.76Å; H357-Y556 HydrophobicContact CB-CG 4.09Å; H357-Y556 AromaticContact CD2-CD2 3.99Å; H357-Y556 AromaticContact CG-CD2 3.67Å; H360-Y556 HydrophobicContact CB-CD1 3.46Å; H360-Y556 VanDerWaalsContact CB-CD1 3.46Å; H360-Y556 HydrophobicContact CB-CD2 4.45Å; H360-Y556 HydrophobicContact CB-CE1 4.14Å; H360-Y556 HydrophobicContact CB-CG 3.64Å; H360-Y556 WeakPolarHBondContact O-CE1 3.42Å; Q361-Y556 HydrophobicContact CG-CE2 4.29Å; Q361-Y556 WeakPolarHBondContact CG-OH 2.99Å; L551-Y556 PolarHBondContact O-N 3.07Å; L551-Y556 VanDerWaalsContact O-N 3.14Å; Q552-Y556 WeakPolarHBondContact O-CA 3.33Å; Q552-Y556 PolarHBondContact O-N 2.99Å; Q554-Y556 WeakPolarHBondContact O-CE2 3.43Å
557F91.6Very high91.1Very high68 Ų6853.6 Ų53.630%0.29825%0.254SS..  trans-132.1156175.779.7-83000112.5H474 Y535 L551 Q552 Y555 C559H474-F557 HydrophobicContact CB-CE1 4.36Å; H474-F557 HydrophobicContact CB-CE2 4.26Å; H474-F557 HydrophobicContact CB-CZ 3.54Å; H474-F557 AromaticContact CD2-CZ 3.91Å; H474-F557 AromaticContact CG-CZ 3.8Å; Y535-F557 HydrophobicContact CD2-CE1 4.4Å; Y535-F557 HydrophobicContact CE2-CE1 4.34Å; L551-F557 HydrophobicContact CB-CE1 4.24Å; L551-F557 HydrophobicContact CB-CZ 4.17Å; L551-F557 HydrophobicContact CD1-CE2 4.43Å; L551-F557 HydrophobicContact CD1-CZ 4.06Å; L551-F557 HydrophobicContact CD2-CE1 4.12Å; L551-F557 HydrophobicContact CD2-CZ 3.91Å; L551-F557 HydrophobicContact CG-CZ 4.26Å; Q552-F557 VanDerWaalsContact OE1-C 3.23Å; Q552-F557 PolarHBondContact OE1-O 3.3Å; Y555-F557 VanDerWaalsContact C-N 3.28Å; Y555-F557 HydrophobicContact CG-CE1 4.29Å; Y555-F557 PolarHBondContact O-N 3.07Å; F557-C559 HydrophobicContact CE2-CB 3.88Å
558L93.1Very high90.1Very high93 Ų9356.3 Ų56.349%0.48727%0.266SS..  trans-94122.8172.7-171.769000109.8R548 E560R548-L558 HydrophobicContact CB-CD1 3.96Å; R548-L558 HydrophobicContact CG-CD1 3.85Å; L558-E560 PolarHBondContact O-N 3.1Å
559C93.8Very high89Confident3 Ų359.8 Ų59.82%0.0228%0.284CS..  trans-79.4122.6179.8-177.10000112.5C476 R548 L551 F557 C561C476-C559 VanDerWaalsContact SG-SG 3.63Å; R548-C559 HydrophobicContact CG-CB 4.47Å; R548-C559 PolarHBondContact NE-O 2.82Å; R548-C559 PolarHBondContact NH2-O 3.49Å; L551-C559 HydrophobicContact CD1-CB 3.54Å; F557-C559 HydrophobicContact CE2-CB 3.88Å; C559-C561 PolarHBondContact SG-SG 3.02Å
560E93.1Very high87.6Confident156 Ų15659.8 Ų59.873%0.72929%0.289SS*.  trans-112.622.1179-59-176.4157.400112.5L558L558-E560 PolarHBondContact O-N 3.1Å
561C93.3Very high86.2Confident20 Ų2063.7 Ų63.714%0.13531%0.307CS..  trans-64.5160.2178.577.10000112.2C476 C559 A563 C564 S565C476-C561 VanDerWaalsContact CB-SG 3.6Å; C476-C561 PolarHBondContact N-SG 3.44Å; C476-C561 VanDerWaalsContact N-SG 3.43Å; C559-C561 PolarHBondContact SG-SG 3.02Å; C561-A563 VanDerWaalsContact C-N 3.26Å; C561-A563 PolarHBondContact O-N 3.41Å; C561-A563 VanDerWaalsContact O-N 3.15Å; C561-C564 WeakPolarHBondContact O-CA 2.92Å; C561-C564 WeakPolarHBondContact O-CB 3.45Å; C561-C564 PolarHBondContact O-N 3.4Å; C561-S565 PolarHBondContact O-N 3.29Å; C561-S565 VanDerWaalsContact O-N 3.11Å; C561-S565 PolarHBondContact O-OG 3.3Å
562E91.8Very high84.4Confident131 Ų13173.1 Ų73.161%0.61234%0.343SS*.Hα-helixtrans-45.7-47.6178-172.7-175.5-172.100112.2C564 S565 D566E562-C564 VanDerWaalsContact C-N 3.28Å; E562-C564 PolarHBondContact O-N 2.99Å; E562-S565 PolarHBondContact O-N 3.45Å; E562-D566 WeakPolarHBondContact O-CB 3.49Å; E562-D566 PolarHBondContact O-N 2.89Å
563A90.8Very high82.7Confident0 Ų076.6 Ų76.60%036%0.359CS..Hα-helixtrans-66.1-24.7-179.500000114.7C476 R477 R547 C561 Q567C476-A563 HydrophobicContact CB-CB 4.32Å; R477-A563 HydrophobicContact CB-CB 3.81Å; R547-A563 PolarHBondContact NH2-O 3.37Å; C561-A563 VanDerWaalsContact C-N 3.26Å; C561-A563 PolarHBondContact O-N 3.41Å; C561-A563 VanDerWaalsContact O-N 3.15Å; A563-Q567 WeakPolarHBondContact O-CG 3.3Å
564C91.3Very high80.6Confident0 Ų073 Ų730%035%0.347CS..Hα-helixtrans-75.9-43.1171-71.50000110.6C476 T544 R547 C561 E562 E568C476-C564 VanDerWaalsContact SG-SG 3.62Å; T544-C564 HydrophobicContact CG2-CB 3.95Å; R547-C564 PolarHBondContact NH2-SG 3.21Å; R547-C564 VanDerWaalsContact NH2-SG 3.38Å; C561-C564 WeakPolarHBondContact O-CA 2.92Å; C561-C564 WeakPolarHBondContact O-CB 3.45Å; C561-C564 PolarHBondContact O-N 3.4Å; E562-C564 VanDerWaalsContact C-N 3.28Å; E562-C564 PolarHBondContact O-N 2.99Å; C564-E568 WeakPolarHBondContact O-CG 3.46Å; C564-E568 PolarHBondContact O-N 3.33Å; C564-E568 VanDerWaalsContact O-N 3.11Å
565S89.3Confident78.6Confident44 Ų4474.4 Ų74.431%0.30836%0.363SS..Hα-helixtrans-64.5-49.5178.6-55.10000112.1C561 E562 Q567 E568 E569C561-S565 PolarHBondContact O-N 3.29Å; C561-S565 VanDerWaalsContact O-N 3.11Å; C561-S565 PolarHBondContact O-OG 3.3Å; E562-S565 PolarHBondContact O-N 3.45Å; S565-Q567 VanDerWaalsContact C-N 3.32Å; S565-Q567 PolarHBondContact O-N 3.48Å; S565-E568 WeakPolarHBondContact O-CB 3.45Å; S565-E568 PolarHBondContact O-N 2.9Å; S565-E568 VanDerWaalsContact O-N 3.08Å; S565-E569 PolarHBondContact O-N 3.23Å
566D83.5Confident76.5Confident47 Ų4782.6 Ų82.625%0.25139%0.394SS..Hα-helixtrans-53-49.6177.5-65.6-13.3000111R477 E562 E568 E569 E570R477-D566 IonicContact NH1-OD2 3.59Å; R477-D566 PolarHBondContact NH1-OD2 3.1Å; E562-D566 WeakPolarHBondContact O-CB 3.49Å; E562-D566 PolarHBondContact O-N 2.89Å; D566-E568 VanDerWaalsContact C-N 3.31Å; D566-E568 PolarHBondContact O-N 3.11Å; D566-E569 PolarHBondContact O-N 3.35Å; D566-E570 WeakPolarHBondContact O-CG 3.3Å; D566-E570 PolarHBondContact O-N 3.06Å
567Q77.5Confident74.5Confident44 Ų4485.2 Ų85.221%0.20641%0.41CS..Hα-helixtrans-70.2-29.1-177.8-74.1-174.8-7.700112.4T544 A563 S565 M571T544-Q567 WeakPolarHBondContact OG1-CB 3.46Å; T544-Q567 PolarHBondContact OG1-OE1 2.86Å; A563-Q567 WeakPolarHBondContact O-CG 3.3Å; S565-Q567 VanDerWaalsContact C-N 3.32Å; S565-Q567 PolarHBondContact O-N 3.48Å; Q567-M571 WeakPolarHBondContact O-CB 3.36Å; Q567-M571 WeakPolarHBondContact O-CG 2.84Å; Q567-M571 PolarHBondContact O-N 2.94Å
568E74.1Confident72.8Confident57 Ų5788 Ų8827%0.26642%0.424SS..Hα-helixtrans-69-40.1171.5-77-173.712900111.9T544 R548 C564 S565 D566 M571 R572T544-E568 HydrophobicContact CG2-CG 4.38Å; R548-E568 IonicContact CZ-OE1 2.7Å; R548-E568 IonicContact CZ-OE2 2.71Å; R548-E568 IonicContact NH1-OE1 3.05Å; R548-E568 PolarHBondContact NH1-OE1 3.5Å; R548-E568 IonicContact NH1-OE2 2.88Å; R548-E568 PolarHBondContact NH1-OE2 3.03Å; R548-E568 VanDerWaalsContact NH2-CD 3.32Å; R548-E568 IonicContact NH2-OE1 3.72Å; R548-E568 IonicContact NH2-OE2 3.34Å; R548-E568 PolarHBondContact NH2-OE2 3.43Å; C564-E568 WeakPolarHBondContact O-CG 3.46Å; C564-E568 PolarHBondContact O-N 3.33Å; C564-E568 VanDerWaalsContact O-N 3.11Å; S565-E568 WeakPolarHBondContact O-CB 3.45Å; S565-E568 PolarHBondContact O-N 2.9Å; S565-E568 VanDerWaalsContact O-N 3.08Å; D566-E568 VanDerWaalsContact C-N 3.31Å; D566-E568 PolarHBondContact O-N 3.11Å; E568-M571 PolarHBondContact O-N 3.41Å; E568-R572 WeakPolarHBondContact O-CB 3.46Å; E568-R572 WeakPolarHBondContact O-CG 3.4Å; E568-R572 PolarHBondContact O-N 3.16Å
569E69.9Low71.5Confident111 Ų11185.2 Ų85.252%0.51941%0.413SS..Hα-helixtrans-65.9-45.6173.9-69.7-176.2175.600111.2S565 D566 M571 R572 E573S565-E569 PolarHBondContact O-N 3.23Å; D566-E569 PolarHBondContact O-N 3.35Å; E569-M571 VanDerWaalsContact C-N 3.29Å; E569-M571 PolarHBondContact O-N 3.38Å; E569-R572 CarbonylContact O-C 3.49Å; E569-R572 WeakPolarHBondContact O-CA 3.43Å; E569-R572 PolarHBondContact O-N 2.83Å; E569-E573 WeakPolarHBondContact O-CB 3.46Å; E569-E573 WeakPolarHBondContact O-CG 3.37Å; E569-E573 PolarHBondContact O-N 3.12Å
570E66.4Low70.8Confident113 Ų11385.7 Ų85.753%0.52842%0.418SS..Hα-helixtrans-56.5-41.9173.7-74.4177.2173.400112.1D566 R572 S574D566-E570 WeakPolarHBondContact O-CG 3.3Å; D566-E570 PolarHBondContact O-N 3.06Å; E570-R572 VanDerWaalsContact C-N 3.33Å; E570-S574 PolarHBondContact O-N 2.88Å
571M61.6Low70.5Confident132 Ų13278.5 Ų78.565%0.6538%0.384SS*.Hα-helixtrans-66.3-32.8175-78.5-176.571.500112.9Q567 E568 E569Q567-M571 WeakPolarHBondContact O-CB 3.36Å; Q567-M571 WeakPolarHBondContact O-CG 2.84Å; Q567-M571 PolarHBondContact O-N 2.94Å; E568-M571 PolarHBondContact O-N 3.41Å; E569-M571 VanDerWaalsContact C-N 3.29Å; E569-M571 PolarHBondContact O-N 3.38Å
572R57.6Low70.4Confident199 Ų19978.9 Ų78.975%0.75139%0.385SS*.Hα-helixtrans-78.9-36.1177.8-73.1170.2-173.3-173.76.2112.3E568 E569 E570E568-R572 WeakPolarHBondContact O-CB 3.46Å; E568-R572 WeakPolarHBondContact O-CG 3.4Å; E568-R572 PolarHBondContact O-N 3.16Å; E569-R572 CarbonylContact O-C 3.49Å; E569-R572 WeakPolarHBondContact O-CA 3.43Å; E569-R572 PolarHBondContact O-N 2.83Å; E570-R572 VanDerWaalsContact C-N 3.33Å
573E55.3Low70.3Confident157 Ų15772.6 Ų72.673%0.73436%0.356SS*.Hα-helixtrans-90.8-20.1-169.5-71-168.4157.400115.2E569E569-E573 WeakPolarHBondContact O-CB 3.46Å; E569-E573 WeakPolarHBondContact O-CG 3.37Å; E569-E573 PolarHBondContact O-N 3.12Å
574S46.4Very low70.1Confident36 Ų3675.3 Ų75.325%0.25237%0.372SS..  trans-161.3138.9-179.8620000114E570 R576E570-S574 PolarHBondContact O-N 2.88Å; S574-R576 VanDerWaalsContact CB-N 3.31Å; S574-R576 PolarHBondContact O-N 3.09Å; S574-R576 VanDerWaalsContact OG-CB 3.29Å; S574-R576 WeakPolarHBondContact OG-CB 3.43Å; S574-R576 PolarHBondContact OG-N 3.13Å
575S48.1Very low70Confident94 Ų9482.7 Ų82.766%0.65740%0.404SS*.SBend39.9-0.867.283.50000117.3K591S575-K591 WeakPolarHBondContact O-CD 3.5Å; S575-K591 WeakPolarHBondContact O-CE 3.22Å; S575-K591 PolarHBondContact O-NZ 2.95Å
576R46.6Very low70Confident197 Ų19783.1 Ų83.174%0.74341%0.406SS*.  trans-137.137.6176.5-62.3176.7172.2-177.4-1.5113.6S574 E578S574-R576 VanDerWaalsContact CB-N 3.31Å; S574-R576 PolarHBondContact O-N 3.09Å; S574-R576 VanDerWaalsContact OG-CB 3.29Å; S574-R576 WeakPolarHBondContact OG-CB 3.43Å; S574-R576 PolarHBondContact OG-N 3.13Å; R576-E578 VanDerWaalsContact C-N 3.27Å; R576-E578 PolarHBondContact O-N 3.46Å
577N50Low70.3Confident87 Ų8785.5 Ų85.547%0.46541%0.414SS..  trans-67.493.7156.5-103-17.1000108.2S579N577-S579 PolarHBondContact O-N 2.83Å
578E55.3Low70.7Confident126 Ų12683.9 Ų83.959%0.58941%0.41SS*.  trans-68.490.6163.9-66.5-150.7132.900107.3R576 G580 R656R576-E578 VanDerWaalsContact C-N 3.27Å; R576-E578 PolarHBondContact O-N 3.46Å; E578-G580 PolarHBondContact O-N 2.62Å; E578-R656 IonicContact OE1-CZ 3.56Å; E578-R656 VanDerWaalsContact OE1-CZ 3.31Å; E578-R656 IonicContact OE1-NH1 3.35Å; E578-R656 PolarHBondContact OE1-NH1 3.46Å; E578-R656 IonicContact OE1-NH2 3.41Å; E578-R656 PolarHBondContact OE1-NH2 2.79Å; E578-R656 IonicContact OE2-CZ 3.48Å; E578-R656 IonicContact OE2-NH1 3.22Å; E578-R656 PolarHBondContact OE2-NH1 2.87Å; E578-R656 IonicContact OE2-NH2 2.67Å
579S65.1Low71.3Confident36 Ų3682 Ų8225%0.25240%0.404SS..  trans-58.90-178.958.30000114.8N577 L581 L590N577-S579 PolarHBondContact O-N 2.83Å; S579-L581 PolarHBondContact O-N 3.48Å; S579-L581 VanDerWaalsContact O-N 3.15Å; S579-L581 VanDerWaalsContact OG-CB 3.28Å; S579-L581 WeakPolarHBondContact OG-CB 3.37Å; S579-L581 PolarHBondContact OG-N 3.34Å; S579-L590 PolarHBondContact OG-O 3.08Å
580G79.6Confident72.2Confident12 Ų1276.7 Ų76.712%0.12438%0.379CS..SBendtrans663.7-165.300000112.9E578 R656E578-G580 PolarHBondContact O-N 2.62Å; G580-R656 WeakPolarHBondContact O-CB 3.39Å; G580-R656 PolarHBondContact O-N 3.11Å
581L87Confident72.9Confident6 Ų674.8 Ų74.83%0.03137%0.369CS..BIsolated β-bridgetrans-100.7145.7-175.9-52.5170.8000112.2S579 L590 F598 V614 L654 L655S579-L581 PolarHBondContact O-N 3.48Å; S579-L581 VanDerWaalsContact O-N 3.15Å; S579-L581 VanDerWaalsContact OG-CB 3.28Å; S579-L581 WeakPolarHBondContact OG-CB 3.37Å; S579-L581 PolarHBondContact OG-N 3.34Å; L581-L590 HydrophobicContact CB-CB 4.03Å; L581-L590 HydrophobicContact CB-CD1 3.99Å; L581-L590 HydrophobicContact CB-CG 4.48Å; L581-L590 PolarHBondContact O-N 2.99Å; L581-F598 HydrophobicContact CD1-CD1 3.95Å; L581-F598 HydrophobicContact CD1-CE1 3.66Å; L581-F598 HydrophobicContact CD1-CE2 4.27Å; L581-F598 HydrophobicContact CD1-CG 4.39Å; L581-F598 HydrophobicContact CD1-CZ 3.83Å; L581-V614 HydrophobicContact CD1-CG1 3.73Å; L581-V614 HydrophobicContact CD1-CG2 4.29Å; L581-V614 HydrophobicContact CD2-CG1 4.23Å; L581-L654 CarbonylContact C-O 3.43Å; L581-L654 WeakPolarHBondContact CA-O 3.22Å; L581-L654 HydrophobicContact CD2-CG 4.33Å; L581-L655 HydrophobicContact CD2-CD2 3.48Å; L581-L655 VanDerWaalsContact CD2-CD2 3.48Å
582L90.6Very high73.8Confident27 Ų2774.8 Ų74.814%0.14137%0.365CS..BIsolated β-bridgetrans-110.5141.2179.6-64.1179.5000110.8T584 K587 L590 L654 R656L582-T584 PolarHBondContact O-N 3.32Å; L582-K587 WeakPolarHBondContact CD2-O 3.45Å; L582-L590 WeakPolarHBondContact O-CD1 3.49Å; L582-L654 PolarHBondContact N-O 3.03Å; L582-R656 HydrophobicContact CD1-CG 4.32Å; L582-R656 HydrophobicContact CD2-CG 3.47Å; L582-R656 VanDerWaalsContact CD2-CG 3.47Å; L582-R656 HydrophobicContact CG-CG 3.75Å
583C89.7Confident74.6Confident0 Ų068 Ų680%034%0.344CS..  trans-67.8124.3171.71790000109.4K585 C586 K587 G588 L590 C600 H607C583-K585 PolarHBondContact O-N 3.18Å; C583-K585 VanDerWaalsContact O-N 3.14Å; C583-K585 PolarHBondContact SG-N 3.29Å; C583-C586 VanDerWaalsContact SG-SG 3.68Å; C583-K587 VanDerWaalsContact O-CA 3.28Å; C583-K587 WeakPolarHBondContact O-CA 3.4Å; C583-K587 PolarHBondContact O-N 2.68Å; C583-G588 WeakPolarHBondContact CB-O 3.47Å; C583-G588 PolarHBondContact N-O 2.94Å; C583-L590 HydrophobicContact CB-CD2 4.07Å; C583-L590 HydrophobicContact CB-CG 4.36Å; C583-C600 HydrophobicContact CB-CB 4.29Å; C583-H607 PolarHBondContact SG-CD2 2.94Å
584T88.3Confident75.1Confident56 Ų5671.7 Ų71.734%0.34436%0.358SS..THydrogen-bonded Turntrans-63.7-20.5179.8600000113.4L582 H607 L654L582-T584 PolarHBondContact O-N 3.32Å; T584-H607 PolarHBondContact OG1-NE2 2.91Å; T584-H607 VanDerWaalsContact OG1-NE2 3.1Å; T584-L654 HydrophobicContact CG2-CD1 4.44Å
585K89Confident75.9Confident156 Ų15672.3 Ų72.368%0.67837%0.37SS*.THydrogen-bonded Turntrans-89.7-47.8179.9-63.6-164.8177.4-1750113.9C583 H607C583-K585 PolarHBondContact O-N 3.18Å; C583-K585 VanDerWaalsContact O-N 3.14Å; C583-K585 PolarHBondContact SG-N 3.29Å; K585-H607 HydrophobicContact CD-CB 4.12Å; K585-H607 HydrophobicContact CG-CB 4.38Å
586C89.5Confident77Confident52 Ų5272.9 Ų72.935%0.35137%0.374SS..THydrogen-bonded Turntrans-123.43-169.574.30000114.2C583 G588 C600 C605C583-C586 VanDerWaalsContact SG-SG 3.68Å; C586-G588 PolarHBondContact O-N 2.7Å; C586-G588 PolarHBondContact SG-N 3.38Å; C586-G588 VanDerWaalsContact SG-N 3.39Å; C586-C600 PolarHBondContact SG-SG 2.94Å; C586-C605 HydrophobicContact CB-CB 4.31Å
587K88.7Confident78.7Confident97 Ų9764.1 Ų64.142%0.42235%0.345SS..  trans59.69.7-175.6-52.4-61.6-174.7171.50115.3L582 C583L582-K587 WeakPolarHBondContact CD2-O 3.45Å; C583-K587 VanDerWaalsContact O-CA 3.28Å; C583-K587 WeakPolarHBondContact O-CA 3.4Å; C583-K587 PolarHBondContact O-N 2.68Å
588G86.1Confident80.5Confident10 Ų1061 Ų6110%0.10333%0.327CS..PPolyproline II helixtrans-69.9159.517200000111.7C583 C586C583-G588 WeakPolarHBondContact CB-O 3.47Å; C583-G588 PolarHBondContact N-O 2.94Å; C586-G588 PolarHBondContact O-N 2.7Å; C586-G588 PolarHBondContact SG-N 3.38Å; C586-G588 VanDerWaalsContact SG-N 3.39Å
589A87.3Confident82Confident17 Ų1756.4 Ų56.414%0.1431%0.309CS..BIsolated β-bridgetrans-64.2139.4179.300000111.6S601A589-S601 PolarHBondContact N-OG 3.27Å; A589-S601 VanDerWaalsContact O-CB 3.24Å; A589-S601 WeakPolarHBondContact O-CB 3.42Å; A589-S601 PolarHBondContact O-N 3.13Å; A589-S601 PolarHBondContact O-OG 3.37Å
590L87.4Confident83.1Confident1 Ų155.2 Ų55.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-90.7132.2169.3-70.4174.3000110.3S579 L581 L582 C583 F598 S599 C600 I609 L654S579-L590 PolarHBondContact OG-O 3.08Å; L581-L590 HydrophobicContact CB-CB 4.03Å; L581-L590 HydrophobicContact CB-CD1 3.99Å; L581-L590 HydrophobicContact CB-CG 4.48Å; L581-L590 PolarHBondContact O-N 2.99Å; L582-L590 WeakPolarHBondContact O-CD1 3.49Å; C583-L590 HydrophobicContact CB-CD2 4.07Å; C583-L590 HydrophobicContact CB-CG 4.36Å; L590-F598 HydrophobicContact CB-CB 4.19Å; L590-S599 WeakPolarHBondContact CA-O 3.34Å; L590-C600 HydrophobicContact CD2-CB 4.28Å; L590-I609 HydrophobicContact CD1-CG2 3.76Å; L590-I609 HydrophobicContact CD2-CG2 4.48Å; L590-L654 HydrophobicContact CD1-CD1 4.32Å
591K82.7Confident83.3Confident73 Ų7356.6 Ų56.632%0.31731%0.309SS..EExtended strand (participates in β ladder)trans-105.1137.2174.8-68.5-178.3-177.7-176.10109.4S575 N593 F598 S599S575-K591 WeakPolarHBondContact O-CD 3.5Å; S575-K591 WeakPolarHBondContact O-CE 3.22Å; S575-K591 PolarHBondContact O-NZ 2.95Å; K591-N593 PolarHBondContact O-N 3.47Å; K591-F598 CarbonylContact O-C 3.49Å; K591-F598 WeakPolarHBondContact O-CA 3.48Å; K591-S599 PolarHBondContact N-O 3.48Å; K591-S599 PolarHBondContact O-N 2.93Å
592K79.3Confident83.1Confident132 Ų13260.4 Ų60.457%0.57433%0.328SS*.EExtended strand (participates in β ladder)trans-71.4127.8174-165174.9-178.5-177.90109F598K592-F598 HydrophobicContact CB-CD1 3.95Å; K592-F598 HydrophobicContact CB-CE1 3.78Å; K592-F598 HydrophobicContact CD-CE1 4.38Å; K592-F598 HydrophobicContact CD-CZ 4.48Å; K592-F598 HydrophobicContact CG-CD1 4.34Å; K592-F598 HydrophobicContact CG-CE1 3.96Å; K592-F598 HydrophobicContact CG-CZ 4.29Å
593N75.7Confident82.3Confident57 Ų5767.2 Ų67.231%0.30536%0.364SS..  trans-81.7163.2175.4-64-18.4000109.8K591 G595 G597 S599K591-N593 PolarHBondContact O-N 3.47Å; N593-G595 PolarHBondContact O-N 2.83Å; N593-G595 VanDerWaalsContact O-N 3.13Å; N593-G595 VanDerWaalsContact O-O 3.06Å; N593-G597 WeakPolarHBondContact CB-O 3.44Å; N593-G597 PolarHBondContact N-O 3.48Å; N593-S599 WeakPolarHBondContact OD1-CB 3.46Å; N593-S599 PolarHBondContact OD1-OG 3.35Å
594K65.4Low82Confident233 Ų23373.5 Ų73.5100%1.01341%0.405SS*.SBendtrans-63.4-11.2170.3-69.2-172177.4-175.20113.3
595G63.5Low82Confident50 Ų5072.3 Ų72.352%0.51540%0.399SS..SBendtrans-97.4-167.317100000113.6N593 G597N593-G595 PolarHBondContact O-N 2.83Å; N593-G595 VanDerWaalsContact O-N 3.13Å; N593-G595 VanDerWaalsContact O-O 3.06Å; G595-G597 PolarHBondContact O-N 3.07Å
596S70.3Confident81.7Confident106 Ų10667.5 Ų67.574%0.74139%0.393SS*.SBendtrans-79.532-175.955.80000115.4S611S596-S611 VanDerWaalsContact C-OG 3.27Å; S596-S611 WeakPolarHBondContact O-CB 3.48Å; S596-S611 PolarHBondContact O-N 3.4Å; S596-S611 PolarHBondContact O-OG 3.36Å
597G81.9Confident81.6Confident13 Ų1366.6 Ų66.613%0.13438%0.383CS..EExtended strand (participates in β ladder)trans-156.9-179.7-177.500000115.8N593 G595 I609N593-G597 WeakPolarHBondContact CB-O 3.44Å; N593-G597 PolarHBondContact N-O 3.48Å; G595-G597 PolarHBondContact O-N 3.07Å; G597-I609 CarbonylContact C-O 3.54Å; G597-I609 WeakPolarHBondContact CA-O 2.95Å
598F87.9Confident81.6Confident20 Ų2068.5 Ų68.59%0.08839%0.394CS..EExtended strand (participates in β ladder)trans-119.1142.7-178.6-60-99.5000111L581 L590 K591 K592 Q608 I609 V614L581-F598 HydrophobicContact CD1-CD1 3.95Å; L581-F598 HydrophobicContact CD1-CE1 3.66Å; L581-F598 HydrophobicContact CD1-CE2 4.27Å; L581-F598 HydrophobicContact CD1-CG 4.39Å; L581-F598 HydrophobicContact CD1-CZ 3.83Å; L590-F598 HydrophobicContact CB-CB 4.19Å; K591-F598 CarbonylContact O-C 3.49Å; K591-F598 WeakPolarHBondContact O-CA 3.48Å; K592-F598 HydrophobicContact CB-CD1 3.95Å; K592-F598 HydrophobicContact CB-CE1 3.78Å; K592-F598 HydrophobicContact CD-CE1 4.38Å; K592-F598 HydrophobicContact CD-CZ 4.48Å; K592-F598 HydrophobicContact CG-CD1 4.34Å; K592-F598 HydrophobicContact CG-CE1 3.96Å; K592-F598 HydrophobicContact CG-CZ 4.29Å; F598-Q608 CarbonylContact O-C 3.49Å; F598-Q608 WeakPolarHBondContact O-CA 3.49Å; F598-I609 HydrophobicContact CB-CG2 3.77Å; F598-I609 HydrophobicContact CD2-CG2 4.41Å; F598-I609 HydrophobicContact CG-CG2 4.46Å; F598-I609 PolarHBondContact N-O 3.4Å; F598-I609 PolarHBondContact O-N 3.21Å; F598-V614 HydrophobicContact CD2-CG2 3.81Å; F598-V614 HydrophobicContact CE2-CB 4.15Å; F598-V614 HydrophobicContact CE2-CG1 4.32Å; F598-V614 HydrophobicContact CE2-CG2 3.91Å
599S88Confident81.8Confident30 Ų3068.9 Ų68.921%0.2139%0.393CS..EExtended strand (participates in β ladder)trans-118.9146174.460.50000111.7L590 K591 N593 S601L590-S599 WeakPolarHBondContact CA-O 3.34Å; K591-S599 PolarHBondContact N-O 3.48Å; K591-S599 PolarHBondContact O-N 2.93Å; N593-S599 WeakPolarHBondContact OD1-CB 3.46Å; N593-S599 PolarHBondContact OD1-OG 3.35Å; S599-S601 PolarHBondContact O-N 3.3Å
600C87.6Confident81.9Confident12 Ų1269.7 Ų69.78%0.08140%0.398CS..EExtended strand (participates in β ladder)trans-65128.1173.4-170.90000110.4C583 C586 L590 L602 C605 H607C583-C600 HydrophobicContact CB-CB 4.29Å; C586-C600 PolarHBondContact SG-SG 2.94Å; L590-C600 HydrophobicContact CD2-CB 4.28Å; C600-L602 PolarHBondContact O-N 2.96Å; C600-C605 HydrophobicContact CB-CB 4.07Å; C600-H607 HydrophobicContact CB-CB 4.22Å; C600-H607 PolarHBondContact N-O 2.98Å
601S83.2Confident81.9Confident41 Ų4170.7 Ų70.729%0.28741%0.405SS..SBendtrans-65.6-21177.256.20000113.9A589 S599 L603A589-S601 PolarHBondContact N-OG 3.27Å; A589-S601 VanDerWaalsContact O-CB 3.24Å; A589-S601 WeakPolarHBondContact O-CB 3.42Å; A589-S601 PolarHBondContact O-N 3.13Å; A589-S601 PolarHBondContact O-OG 3.37Å; S599-S601 PolarHBondContact O-N 3.3Å; S601-L603 PolarHBondContact O-N 3.23Å
602L82.6Confident82.1Confident85 Ų8571.1 Ų71.145%0.44542%0.417SS..SBendtrans-82.8107.4175.3-63.7179.6000109.4C600 P604 C605C600-L602 PolarHBondContact O-N 2.96Å; L602-P604 VanDerWaalsContact C-N 3.28Å; L602-P604 VanDerWaalsContact O-N 3.16Å; L602-C605 HydrophobicContact CB-CB 4.32Å; L602-C605 WeakPolarHBondContact O-CB 3.46Å; L602-C605 PolarHBondContact O-N 3.33Å
603L73.9Confident82.6Confident171 Ų17168.8 Ų68.890%0.89541%0.411SS*.THydrogen-bonded Turntrans-46.1-41.5178.9-72.3165.1000114.1S601 C605S601-L603 PolarHBondContact O-N 3.23Å; L603-C605 PolarHBondContact O-N 3.16Å
604P83.7Confident83.2Confident131 Ų13166.2 Ų66.285%0.85140%0.397SS*.THydrogen-bonded Turntrans-67.9-19.7179.2-20.233.3000114.6L602L602-P604 VanDerWaalsContact C-N 3.28Å; L602-P604 VanDerWaalsContact O-N 3.16Å
605C88.4Confident84.2Confident32 Ų3259.8 Ų59.822%0.21637%0.374CS..THydrogen-bonded Turntrans-82.3-41.8-174.9-1780000112.4C586 C600 L602 L603 H607C586-C605 HydrophobicContact CB-CB 4.31Å; C600-C605 HydrophobicContact CB-CB 4.07Å; L602-C605 HydrophobicContact CB-CB 4.32Å; L602-C605 WeakPolarHBondContact O-CB 3.46Å; L602-C605 PolarHBondContact O-N 3.33Å; L603-C605 PolarHBondContact O-N 3.16Å; C605-H607 PolarHBondContact O-N 3.45Å; C605-H607 VanDerWaalsContact SG-CB 3.55Å
606G82.1Confident85.5Confident54 Ų5462.9 Ų62.956%0.55738%0.375SS*.  trans58.75-179.400000115.9
607H88.9Confident86.6Confident33 Ų3361.4 Ų61.415%0.15336%0.355CS..  trans-66.9136.3-175.8-176.354.3000111.2C583 T584 K585 C600 C605C583-H607 PolarHBondContact SG-CD2 2.94Å; T584-H607 PolarHBondContact OG1-NE2 2.91Å; T584-H607 VanDerWaalsContact OG1-NE2 3.1Å; K585-H607 HydrophobicContact CD-CB 4.12Å; K585-H607 HydrophobicContact CG-CB 4.38Å; C600-H607 HydrophobicContact CB-CB 4.22Å; C600-H607 PolarHBondContact N-O 2.98Å; C605-H607 PolarHBondContact O-N 3.45Å; C605-H607 VanDerWaalsContact SG-CB 3.55Å
608Q88.8Confident87Confident138 Ų13862.4 Ų62.465%0.64536%0.357SS*.EExtended strand (participates in β ladder)trans-125.6146.6174.7-59-176.722.200109.8F598F598-Q608 CarbonylContact O-C 3.49Å; F598-Q608 WeakPolarHBondContact O-CA 3.49Å
609I89.3Confident87.1Confident17 Ų1766.5 Ų66.59%0.08738%0.377CS..EExtended strand (participates in β ladder)trans-136.2137.8175.4-173.1170.3000108.6L590 G597 F598 D613 V614 L654L590-I609 HydrophobicContact CD1-CG2 3.76Å; L590-I609 HydrophobicContact CD2-CG2 4.48Å; G597-I609 CarbonylContact C-O 3.54Å; G597-I609 WeakPolarHBondContact CA-O 2.95Å; F598-I609 HydrophobicContact CB-CG2 3.77Å; F598-I609 HydrophobicContact CD2-CG2 4.41Å; F598-I609 HydrophobicContact CG-CG2 4.46Å; F598-I609 PolarHBondContact N-O 3.4Å; F598-I609 PolarHBondContact O-N 3.21Å; I609-D613 HydrophobicContact CD1-CB 4.26Å; I609-D613 HydrophobicContact CG1-CB 3.89Å; I609-V614 HydrophobicContact CD1-CG2 3.83Å; I609-V614 HydrophobicContact CG1-CG2 3.98Å; I609-V614 HydrophobicContact CG2-CG2 3.88Å; I609-L654 HydrophobicContact CD1-CD1 4.37Å
610S90.2Very high87.4Confident34 Ų3469.5 Ų69.524%0.23839%0.388CS..EExtended strand (participates in β ladder)trans-74.5154.7-179.875.80000111.4S612 D613 V614S610-S612 VanDerWaalsContact C-N 3.25Å; S610-S612 PolarHBondContact O-N 3.03Å; S610-S612 PolarHBondContact OG-OG 3.04Å; S610-D613 WeakPolarHBondContact CB-OD2 3.48Å; S610-D613 PolarHBondContact O-N 3.29Å; S610-D613 WeakPolarHBondContact OG-CB 3.35Å; S610-D613 PolarHBondContact OG-N 2.99Å; S610-D613 VanDerWaalsContact OG-N 3.08Å; S610-D613 PolarHBondContact OG-OD1 3.31Å; S610-D613 PolarHBondContact OG-OD2 3.46Å; S610-V614 PolarHBondContact O-N 2.91Å; S610-V614 VanDerWaalsContact O-N 3.15Å
611S86.4Confident87.7Confident22 Ų2269.4 Ų69.415%0.15439%0.386CS..Hα-helixtrans-63.9-33174.6-67.30000111.9S596 V614 N615S596-S611 VanDerWaalsContact C-OG 3.27Å; S596-S611 WeakPolarHBondContact O-CB 3.48Å; S596-S611 PolarHBondContact O-N 3.4Å; S596-S611 PolarHBondContact O-OG 3.36Å; S611-V614 PolarHBondContact O-N 3.02Å; S611-N615 VanDerWaalsContact O-CB 3.31Å; S611-N615 WeakPolarHBondContact O-CB 3.5Å; S611-N615 PolarHBondContact O-N 3.19Å; S611-N615 PolarHBondContact O-ND2 3.32Å
612S86.8Confident88.1Confident82 Ų8273.1 Ų73.157%0.57339%0.393SS*.Hα-helixtrans-62.9-42.217442.70000111.9S610 N615 H616S610-S612 VanDerWaalsContact C-N 3.25Å; S610-S612 PolarHBondContact O-N 3.03Å; S610-S612 PolarHBondContact OG-OG 3.04Å; S612-N615 PolarHBondContact O-N 2.9Å; S612-H616 VanDerWaalsContact O-CB 3.28Å; S612-H616 WeakPolarHBondContact O-CB 3.28Å; S612-H616 PolarHBondContact O-N 3.33Å
613D89.8Confident88.5Confident84 Ų8472.7 Ų72.745%0.44939%0.394SS..Hα-helixtrans-67.8-40.4179.1-60.4-35.3000111.7I609 S610 K617I609-D613 HydrophobicContact CD1-CB 4.26Å; I609-D613 HydrophobicContact CG1-CB 3.89Å; S610-D613 WeakPolarHBondContact CB-OD2 3.48Å; S610-D613 PolarHBondContact O-N 3.29Å; S610-D613 WeakPolarHBondContact OG-CB 3.35Å; S610-D613 PolarHBondContact OG-N 2.99Å; S610-D613 VanDerWaalsContact OG-N 3.08Å; S610-D613 PolarHBondContact OG-OD1 3.31Å; S610-D613 PolarHBondContact OG-OD2 3.46Å; D613-K617 WeakPolarHBondContact O-CG 3.44Å; D613-K617 PolarHBondContact O-N 2.92Å
614V88.5Confident89.4Confident2 Ų265.6 Ų65.61%0.01236%0.36CS..Hα-helixtrans-61.9-49.9174.71730000110.1L581 F598 I609 S610 S611 H616 K617 L618L581-V614 HydrophobicContact CD1-CG1 3.73Å; L581-V614 HydrophobicContact CD1-CG2 4.29Å; L581-V614 HydrophobicContact CD2-CG1 4.23Å; F598-V614 HydrophobicContact CD2-CG2 3.81Å; F598-V614 HydrophobicContact CE2-CB 4.15Å; F598-V614 HydrophobicContact CE2-CG1 4.32Å; F598-V614 HydrophobicContact CE2-CG2 3.91Å; I609-V614 HydrophobicContact CD1-CG2 3.83Å; I609-V614 HydrophobicContact CG1-CG2 3.98Å; I609-V614 HydrophobicContact CG2-CG2 3.88Å; S610-V614 PolarHBondContact O-N 2.91Å; S610-V614 VanDerWaalsContact O-N 3.15Å; S611-V614 PolarHBondContact O-N 3.02Å; V614-H616 VanDerWaalsContact C-N 3.33Å; V614-H616 PolarHBondContact O-N 3.39Å; V614-K617 PolarHBondContact O-N 3.32Å; V614-L618 HydrophobicContact CG1-CD1 3.93Å; V614-L618 HydrophobicContact CG1-CG 4.31Å; V614-L618 WeakPolarHBondContact O-CG 3.28Å; V614-L618 PolarHBondContact O-N 3.4Å
615N86.9Confident89.8Confident99 Ų9960.1 Ų60.153%0.52932%0.324SS..Hα-helixtrans-62.1-41180-72.3-15.4000111.9S611 S612 L618 Q619S611-N615 VanDerWaalsContact O-CB 3.31Å; S611-N615 WeakPolarHBondContact O-CB 3.5Å; S611-N615 PolarHBondContact O-N 3.19Å; S611-N615 PolarHBondContact O-ND2 3.32Å; S612-N615 PolarHBondContact O-N 2.9Å; N615-L618 PolarHBondContact O-N 2.87Å; N615-Q619 WeakPolarHBondContact O-CB 3.5Å; N615-Q619 PolarHBondContact O-N 2.97Å
616H90.6Very high89.7Confident114 Ų11464.9 Ų64.953%0.52834%0.343SS..Hα-helixtrans-59.8-48.5175.8-170.2-87000111.3S612 V614 Q619 E620S612-H616 VanDerWaalsContact O-CB 3.28Å; S612-H616 WeakPolarHBondContact O-CB 3.28Å; S612-H616 PolarHBondContact O-N 3.33Å; V614-H616 VanDerWaalsContact C-N 3.33Å; V614-H616 PolarHBondContact O-N 3.39Å; H616-Q619 PolarHBondContact O-N 2.71Å; H616-E620 IonicContact CE1-OE1 3.18Å; H616-E620 PolarHBondContact CE1-OE1 3.5Å; H616-E620 IonicContact ND1-OE1 2.75Å; H616-E620 PolarHBondContact ND1-OE1 3.19Å; H616-E620 WeakPolarHBondContact O-CG 3.26Å; H616-E620 PolarHBondContact O-N 2.71Å
617K92.6Very high90.1Very high76 Ų7668.3 Ų68.333%0.3334%0.342SS..Hα-helixtrans-63.5-42.9177.3-74-177.1177.2-1720112.9D613 V614 Q619 E620 F621 L654D613-K617 WeakPolarHBondContact O-CG 3.44Å; D613-K617 PolarHBondContact O-N 2.92Å; V614-K617 PolarHBondContact O-N 3.32Å; K617-Q619 VanDerWaalsContact C-N 3.26Å; K617-Q619 PolarHBondContact O-N 3.01Å; K617-E620 PolarHBondContact O-N 2.95Å; K617-F621 HydrophobicContact CB-CE2 4.3Å; K617-F621 HydrophobicContact CB-CZ 4.36Å; K617-F621 WeakPolarHBondContact O-CD2 3.34Å; K617-F621 WeakPolarHBondContact O-CG 3.14Å; K617-F621 PolarHBondContact O-N 3.25Å; K617-L654 HydrophobicContact CB-CD2 3.91Å; K617-L654 HydrophobicContact CD-CD2 3.81Å
618L90.1Very high90.2Very high33 Ų3366.7 Ų66.717%0.17334%0.335CS..Hα-helixtrans-59.6-40.5175-72.6176.4000111.2V614 N615 F621 R622 L655 L661V614-L618 HydrophobicContact CG1-CD1 3.93Å; V614-L618 HydrophobicContact CG1-CG 4.31Å; V614-L618 WeakPolarHBondContact O-CG 3.28Å; V614-L618 PolarHBondContact O-N 3.4Å; N615-L618 PolarHBondContact O-N 2.87Å; L618-F621 PolarHBondContact O-N 2.82Å; L618-R622 WeakPolarHBondContact O-CG 3.49Å; L618-R622 PolarHBondContact O-N 2.85Å; L618-L655 HydrophobicContact CD2-CD1 4.16Å; L618-L655 HydrophobicContact CD2-CD2 3.69Å; L618-L661 HydrophobicContact CD2-CD2 3.92Å
619Q90.8Very high90Very high106 Ų10662.4 Ų62.450%0.49532%0.318SS..Hα-helixtrans-68.3-42.5177.1-171.959.922.300112.1N615 H616 K617 F621 R622 V623N615-Q619 WeakPolarHBondContact O-CB 3.5Å; N615-Q619 PolarHBondContact O-N 2.97Å; H616-Q619 PolarHBondContact O-N 2.71Å; K617-Q619 VanDerWaalsContact C-N 3.26Å; K617-Q619 PolarHBondContact O-N 3.01Å; Q619-F621 VanDerWaalsContact C-N 3.3Å; Q619-F621 PolarHBondContact O-N 3.04Å; Q619-R622 PolarHBondContact O-N 3.48Å; Q619-V623 HydrophobicContact CG-CG2 4.45Å; Q619-V623 WeakPolarHBondContact O-CG2 3.44Å; Q619-V623 PolarHBondContact O-N 3.08Å
620E93.7Very high89.6Confident94 Ų9463.9 Ų63.944%0.43933%0.333SS..Hα-helixtrans-55.7-46.1173.3-74.7174.2168.100111.4H616 K617 A624H616-E620 IonicContact CE1-OE1 3.18Å; H616-E620 PolarHBondContact CE1-OE1 3.5Å; H616-E620 IonicContact ND1-OE1 2.75Å; H616-E620 PolarHBondContact ND1-OE1 3.19Å; H616-E620 WeakPolarHBondContact O-CG 3.26Å; H616-E620 PolarHBondContact O-N 2.71Å; K617-E620 PolarHBondContact O-N 2.95Å; E620-A624 VanDerWaalsContact O-CB 3.26Å; E620-A624 WeakPolarHBondContact O-CB 3.34Å; E620-A624 PolarHBondContact O-N 3.4Å
621F94.8Very high89.4Confident9 Ų963.4 Ų63.44%0.03933%0.327CS..Hα-helixtrans-63.2-42.5178.3-61.3-24.8000112.2K617 L618 Q619 A624 L625 I647 Q650 L654 L655 L661K617-F621 HydrophobicContact CB-CE2 4.3Å; K617-F621 HydrophobicContact CB-CZ 4.36Å; K617-F621 WeakPolarHBondContact O-CD2 3.34Å; K617-F621 WeakPolarHBondContact O-CG 3.14Å; K617-F621 PolarHBondContact O-N 3.25Å; L618-F621 PolarHBondContact O-N 2.82Å; Q619-F621 VanDerWaalsContact C-N 3.3Å; Q619-F621 PolarHBondContact O-N 3.04Å; F621-A624 PolarHBondContact O-N 3.06Å; F621-L625 WeakPolarHBondContact O-CB 3.44Å; F621-L625 PolarHBondContact O-N 3.17Å; F621-I647 HydrophobicContact CB-CG2 4.17Å; F621-I647 HydrophobicContact CD1-CG2 3.86Å; F621-I647 HydrophobicContact CG-CG2 4.24Å; F621-Q650 HydrophobicContact CE1-CB 3.98Å; F621-Q650 HydrophobicContact CZ-CB 4.38Å; F621-L654 HydrophobicContact CE2-CD2 4.34Å; F621-L655 HydrophobicContact CD2-CD1 4.26Å; F621-L655 HydrophobicContact CE2-CD1 4.46Å; F621-L661 HydrophobicContact CB-CD2 3.74Å; F621-L661 HydrophobicContact CD2-CD2 4.2Å
622R91.8Very high89.3Confident120 Ų12062.9 Ų62.945%0.45332%0.323SS..Hα-helixtrans-62.2-49.3176.8-75.4173.2176-107.9-3.6112.2L618 Q619 A624 L625 E626 L661L618-R622 WeakPolarHBondContact O-CG 3.49Å; L618-R622 PolarHBondContact O-N 2.85Å; Q619-R622 PolarHBondContact O-N 3.48Å; R622-A624 VanDerWaalsContact C-N 3.25Å; R622-A624 PolarHBondContact O-N 3.13Å; R622-L625 WeakPolarHBondContact O-CB 3.43Å; R622-L625 PolarHBondContact O-N 3.35Å; R622-E626 WeakPolarHBondContact O-CG 3.42Å; R622-E626 PolarHBondContact O-N 3.12Å; R622-L661 HydrophobicContact CG-CD1 3.94Å; R622-L661 HydrophobicContact CG-CD2 4.25Å
623V90.5Very high88.9Confident75 Ų7562.5 Ų62.546%0.45531%0.312SS..Hα-helixtrans-60.2-39.7178.1171.20000111Q619 E626 K627Q619-V623 HydrophobicContact CG-CG2 4.45Å; Q619-V623 WeakPolarHBondContact O-CG2 3.44Å; Q619-V623 PolarHBondContact O-N 3.08Å; V623-E626 PolarHBondContact O-N 3.28Å; V623-K627 PolarHBondContact O-N 3.4Å
624A92.6Very high88.4Confident22 Ų2266.6 Ų66.618%0.18233%0.326CS..Hα-helixtrans-72.4-34.2179.700000112.3E620 F621 R622 K627 A628 I647E620-A624 VanDerWaalsContact O-CB 3.26Å; E620-A624 WeakPolarHBondContact O-CB 3.34Å; E620-A624 PolarHBondContact O-N 3.4Å; F621-A624 PolarHBondContact O-N 3.06Å; R622-A624 VanDerWaalsContact C-N 3.25Å; R622-A624 PolarHBondContact O-N 3.13Å; A624-K627 PolarHBondContact O-N 3Å; A624-A628 PolarHBondContact O-N 3.41Å; A624-I647 HydrophobicContact CB-CD1 3.25Å; A624-I647 HydrophobicContact CB-CG1 3.71Å
625L91.4Very high88Confident17 Ų1773.3 Ų73.39%0.08936%0.357CS..Hα-helixtrans-61.9-48.9169.1170.360.7000111.4F621 R622 K627 A628 V629 L644 L661 E664 L665 A668F621-L625 WeakPolarHBondContact O-CB 3.44Å; F621-L625 PolarHBondContact O-N 3.17Å; R622-L625 WeakPolarHBondContact O-CB 3.43Å; R622-L625 PolarHBondContact O-N 3.35Å; L625-K627 VanDerWaalsContact C-N 3.27Å; L625-K627 PolarHBondContact O-N 2.85Å; L625-A628 WeakPolarHBondContact O-CB 3.46Å; L625-A628 PolarHBondContact O-N 3.16Å; L625-V629 HydrophobicContact CD1-CG2 4.16Å; L625-V629 WeakPolarHBondContact O-CG2 3.26Å; L625-V629 PolarHBondContact O-N 2.97Å; L625-L644 HydrophobicContact CD1-CD2 3.97Å; L625-L661 HydrophobicContact CD2-CD1 4.18Å; L625-E664 HydrophobicContact CD2-CB 3.84Å; L625-L665 HydrophobicContact CB-CD2 4.13Å; L625-L665 HydrophobicContact CD1-CD2 4.23Å; L625-A668 HydrophobicContact CD1-CB 3.51Å
626E88.4Confident88Confident131 Ų13171.3 Ų71.361%0.61235%0.346SS*.Hα-helixtrans-56.1-43.2176.4-73.5173.5-170.300111.6R622 V623 A628 V629 A630R622-E626 WeakPolarHBondContact O-CG 3.42Å; R622-E626 PolarHBondContact O-N 3.12Å; V623-E626 PolarHBondContact O-N 3.28Å; E626-A628 VanDerWaalsContact C-N 3.35Å; E626-A628 PolarHBondContact O-N 3.38Å; E626-V629 PolarHBondContact O-N 2.94Å; E626-A630 WeakPolarHBondContact O-CB 3.39Å; E626-A630 PolarHBondContact O-N 3.23Å
627K90.3Very high87.9Confident126 Ų12666.9 Ų66.955%0.54833%0.328SS..Hα-helixtrans-61.6-41.6174.9-177.1177.2177.6179.80112.1V623 A624 L625 A630 L631 L643V623-K627 PolarHBondContact O-N 3.4Å; A624-K627 PolarHBondContact O-N 3Å; L625-K627 VanDerWaalsContact C-N 3.27Å; L625-K627 PolarHBondContact O-N 2.85Å; K627-A630 PolarHBondContact O-N 3.4Å; K627-L631 WeakPolarHBondContact O-CG 3.4Å; K627-L631 PolarHBondContact O-N 3.5Å; K627-L643 HydrophobicContact CB-CD2 4.08Å; K627-L643 HydrophobicContact CD-CD2 3.98Å; K627-L643 HydrophobicContact CG-CD2 3.91Å
628A90.6Very high88Confident0 Ų067.8 Ų67.80%034%0.339CS..Hα-helixtrans-65.7-41.5177.500000112.2A624 L625 E626 L631 M632 A640 L643 L644A624-A628 PolarHBondContact O-N 3.41Å; L625-A628 WeakPolarHBondContact O-CB 3.46Å; L625-A628 PolarHBondContact O-N 3.16Å; E626-A628 VanDerWaalsContact C-N 3.35Å; E626-A628 PolarHBondContact O-N 3.38Å; A628-L631 WeakPolarHBondContact O-CB 3.31Å; A628-L631 PolarHBondContact O-N 2.87Å; A628-M632 PolarHBondContact O-N 3.14Å; A628-M632 VanDerWaalsContact O-N 3.08Å; A628-A640 WeakPolarHBondContact O-CB 3.41Å; A628-L643 HydrophobicContact CB-CD2 4.07Å; A628-L643 HydrophobicContact CB-CG 4.38Å; A628-L644 HydrophobicContact CB-CD1 4.06Å; A628-L644 HydrophobicContact CB-CD2 3.76Å; A628-L644 HydrophobicContact CB-CG 3.61Å
629V84.3Confident88.2Confident48 Ų4870.8 Ų70.829%0.29135%0.352SS..Hα-helixtrans-60.5-46.51741750000110.6L625 E626 L631 M632 E633L625-V629 HydrophobicContact CD1-CG2 4.16Å; L625-V629 WeakPolarHBondContact O-CG2 3.26Å; L625-V629 PolarHBondContact O-N 2.97Å; E626-V629 PolarHBondContact O-N 2.94Å; V629-L631 VanDerWaalsContact C-N 3.25Å; V629-L631 PolarHBondContact O-N 3.47Å; V629-M632 HydrophobicContact CB-CE 4.29Å; V629-M632 HydrophobicContact CG2-CE 3.93Å; V629-M632 WeakPolarHBondContact O-CB 3.38Å; V629-M632 PolarHBondContact O-N 3.41Å; V629-E633 PolarHBondContact O-N 3.42Å
630A81.6Confident88.3Confident48 Ų4865.8 Ų65.840%0.39733%0.329SS..Hα-helixtrans-61.1-31.3176.800000113.6E626 K627 K634E626-A630 WeakPolarHBondContact O-CB 3.39Å; E626-A630 PolarHBondContact O-N 3.23Å; K627-A630 PolarHBondContact O-N 3.4Å; A630-K634 WeakPolarHBondContact O-CG 3.35Å; A630-K634 PolarHBondContact O-N 3.5Å
631L86.3Confident88.4Confident23 Ų2362 Ų6212%0.1231%0.311CS..Hα-helixtrans-69.4-39172.4-74.9167.8000111.8K627 A628 V629 K634 N636 E639 A640 L643K627-L631 WeakPolarHBondContact O-CG 3.4Å; K627-L631 PolarHBondContact O-N 3.5Å; A628-L631 WeakPolarHBondContact O-CB 3.31Å; A628-L631 PolarHBondContact O-N 2.87Å; V629-L631 VanDerWaalsContact C-N 3.25Å; V629-L631 PolarHBondContact O-N 3.47Å; L631-K634 CarbonylContact O-C 3.46Å; L631-K634 PolarHBondContact O-N 2.81Å; L631-N636 PolarHBondContact O-N 3.42Å; L631-E639 HydrophobicContact CD1-CB 4.24Å; L631-E639 HydrophobicContact CD1-CG 3.95Å; L631-A640 HydrophobicContact CB-CB 3.88Å; L631-L643 HydrophobicContact CD1-CD2 4.37Å
632M83.9Confident88.5Confident12 Ų1268.1 Ų68.16%0.05934%0.34CS..Hα-helixtrans-63.6-40.3174.9-67.1-172.2-71.700111.9A628 V629 K634 E635 A640 A668 R671 A672A628-M632 PolarHBondContact O-N 3.14Å; A628-M632 VanDerWaalsContact O-N 3.08Å; V629-M632 HydrophobicContact CB-CE 4.29Å; V629-M632 HydrophobicContact CG2-CE 3.93Å; V629-M632 WeakPolarHBondContact O-CB 3.38Å; V629-M632 PolarHBondContact O-N 3.41Å; M632-K634 PolarHBondContact O-N 3.02Å; M632-E635 PolarHBondContact O-N 3.01Å; M632-A640 HydrophobicContact CG-CB 3.58Å; M632-A668 HydrophobicContact CE-CB 4.16Å; M632-R671 HydrophobicContact SD-CB 4.12Å; M632-R671 HydrophobicContact SD-CG 3.91Å; M632-A672 HydrophobicContact SD-CB 3.86Å
633E78.4Confident88.7Confident73 Ų7363.9 Ų63.934%0.34133%0.326SS..Hα-helixtrans-65-24.3175.6-55.7-43.6149.200113.3V629 E635 R671V629-E633 PolarHBondContact O-N 3.42Å; E633-E635 PolarHBondContact O-N 3.28Å; E633-R671 IonicContact OE1-CZ 2.8Å; E633-R671 IonicContact OE1-NH1 3.83Å; E633-R671 PolarHBondContact OE1-NH1 3.02Å; E633-R671 IonicContact OE1-NH2 2.7Å; E633-R671 PolarHBondContact OE1-NH2 2.95Å; E633-R671 IonicContact OE2-NH2 3.66Å; E633-R671 PolarHBondContact OE2-NH2 3.18Å
634K77.6Confident88.9Confident171 Ų17160.3 Ų60.374%0.74331%0.305SS*.THydrogen-bonded Turntrans-89.617.9174.1-67.7179.2178.9-173.70113A630 L631 M632 N636A630-K634 WeakPolarHBondContact O-CG 3.35Å; A630-K634 PolarHBondContact O-N 3.5Å; L631-K634 CarbonylContact O-C 3.46Å; L631-K634 PolarHBondContact O-N 2.81Å; M632-K634 PolarHBondContact O-N 3.02Å; K634-N636 PolarHBondContact O-N 2.67Å
635E80.8Confident89.1Confident142 Ų14264.2 Ų64.266%0.66432%0.317SS*.THydrogen-bonded Turntrans56.231.5-178.7-55.5-173.6161.500113.6M632 E633 P637M632-E635 PolarHBondContact O-N 3.01Å; E633-E635 PolarHBondContact O-N 3.28Å; E635-P637 WeakPolarHBondContact O-CD 3.28Å
636N87.6Confident89.2Confident57 Ų5769 Ų6931%0.30534%0.337SS..  trans-113.366.6175.7-170.1-3.3000111.8L631 K634 V638 E639 A640L631-N636 PolarHBondContact O-N 3.42Å; K634-N636 PolarHBondContact O-N 2.67Å; N636-V638 VanDerWaalsContact C-N 3.3Å; N636-V638 PolarHBondContact O-N 2.79Å; N636-E639 PolarHBondContact ND2-OE2 3.22Å; N636-E639 WeakPolarHBondContact OD1-CB 3.43Å; N636-E639 PolarHBondContact OD1-N 2.67Å; N636-A640 PolarHBondContact O-N 3.1Å
637P89.2Confident89.5Confident22 Ų2262.9 Ų62.914%0.14331%0.309CS..Hα-helixtrans-71.2-22.6-175.629.2-36.1000113.4E635 L641 L676E635-P637 WeakPolarHBondContact O-CD 3.28Å; P637-L641 VanDerWaalsContact O-CB 3.23Å; P637-L641 WeakPolarHBondContact O-CB 3.27Å; P637-L641 PolarHBondContact O-N 3.17Å; P637-L676 HydrophobicContact CB-CD2 4.18Å; P637-L676 HydrophobicContact CB-CG 4.23Å; P637-L676 HydrophobicContact CG-CD2 3.78Å; P637-L676 HydrophobicContact CG-CG 4.32Å
638V93.9Very high89.7Confident95 Ų9558.5 Ų58.558%0.57629%0.294SS*.Hα-helixtrans-68.9-49.5179.41790000110.7N636 A640 L641 H642 L676N636-V638 VanDerWaalsContact C-N 3.3Å; N636-V638 PolarHBondContact O-N 2.79Å; V638-A640 VanDerWaalsContact C-N 3.34Å; V638-L641 PolarHBondContact O-N 3.24Å; V638-H642 PolarHBondContact O-N 3.44Å; V638-L676 HydrophobicContact CG2-CD2 3.69Å
639E93.9Very high89.7Confident96 Ų9662 Ų6245%0.44932%0.319SS..Hα-helixtrans-67-39.3178.1-167.2179.1171.500111.1L631 N636 L641 H642 L643L631-E639 HydrophobicContact CD1-CB 4.24Å; L631-E639 HydrophobicContact CD1-CG 3.95Å; N636-E639 PolarHBondContact ND2-OE2 3.22Å; N636-E639 WeakPolarHBondContact OD1-CB 3.43Å; N636-E639 PolarHBondContact OD1-N 2.67Å; E639-L641 PolarHBondContact O-N 2.68Å; E639-H642 PolarHBondContact O-N 3.17Å; E639-L643 PolarHBondContact O-N 3.31Å
640A93.8Very high90.1Very high0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-57.3-48.5173.100000111.5A628 L631 M632 N636 V638 H642 L643 L644A628-A640 WeakPolarHBondContact O-CB 3.41Å; L631-A640 HydrophobicContact CB-CB 3.88Å; M632-A640 HydrophobicContact CG-CB 3.58Å; N636-A640 PolarHBondContact O-N 3.1Å; V638-A640 VanDerWaalsContact C-N 3.34Å; A640-H642 VanDerWaalsContact C-N 3.35Å; A640-H642 PolarHBondContact O-N 3.34Å; A640-L643 PolarHBondContact O-N 3.4Å; A640-L644 WeakPolarHBondContact O-CB 3.28Å; A640-L644 VanDerWaalsContact O-CG 3.28Å; A640-L644 WeakPolarHBondContact O-CG 3.25Å; A640-L644 PolarHBondContact O-N 3.21Å
641L95.6Very high90.6Very high14 Ų1461.8 Ų61.87%0.07331%0.306CS..Hα-helixtrans-62.8-40.6179.6-177.660.7000112.1P637 V638 E639 L643 L644 K645 T669 A672 Y673 L676P637-L641 VanDerWaalsContact O-CB 3.23Å; P637-L641 WeakPolarHBondContact O-CB 3.27Å; P637-L641 PolarHBondContact O-N 3.17Å; V638-L641 PolarHBondContact O-N 3.24Å; E639-L641 PolarHBondContact O-N 2.68Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L641-L644 PolarHBondContact O-N 3.01Å; L641-K645 HydrophobicContact CD1-CD 4.44Å; L641-K645 HydrophobicContact CD1-CG 4.26Å; L641-K645 HydrophobicContact CG-CD 4.3Å; L641-K645 WeakPolarHBondContact O-CB 3.34Å; L641-K645 WeakPolarHBondContact O-CG 3.38Å; L641-K645 PolarHBondContact O-N 2.97Å; L641-T669 HydrophobicContact CD1-CG2 3.91Å; L641-A672 HydrophobicContact CB-CB 4.07Å; L641-A672 HydrophobicContact CD1-CB 4.18Å; L641-Y673 HydrophobicContact CD1-CD1 4.49Å; L641-Y673 HydrophobicContact CD1-CD2 3.92Å; L641-Y673 HydrophobicContact CD1-CE1 4.34Å; L641-Y673 HydrophobicContact CD1-CE2 3.68Å; L641-Y673 HydrophobicContact CD1-CG 4.33Å; L641-Y673 HydrophobicContact CD2-CD1 3.91Å; L641-Y673 HydrophobicContact CD2-CE1 3.71Å; L641-Y673 HydrophobicContact CD2-CG 4.47Å; L641-L676 HydrophobicContact CD2-CD1 3.58Å
642H95.8Very high90.9Very high138 Ų13861.9 Ų61.964%0.63931%0.313SS*.Hα-helixtrans-61.2-44.9176.1178.1-92.8000111.4V638 E639 A640 K646V638-H642 PolarHBondContact O-N 3.44Å; E639-H642 PolarHBondContact O-N 3.17Å; A640-H642 VanDerWaalsContact C-N 3.35Å; A640-H642 PolarHBondContact O-N 3.34Å; H642-K646 PolarHBondContact O-N 3.37Å; H642-K646 VanDerWaalsContact O-N 3.14Å
643L96.1Very high91.2Very high32 Ų3265.6 Ų65.617%0.16833%0.333CS..Hα-helixtrans-62.9-46.7176.3-179.556.6000111.6K627 A628 L631 E639 A640 L641 K645 K646 I647K627-L643 HydrophobicContact CB-CD2 4.08Å; K627-L643 HydrophobicContact CD-CD2 3.98Å; K627-L643 HydrophobicContact CG-CD2 3.91Å; A628-L643 HydrophobicContact CB-CD2 4.07Å; A628-L643 HydrophobicContact CB-CG 4.38Å; L631-L643 HydrophobicContact CD1-CD2 4.37Å; E639-L643 PolarHBondContact O-N 3.31Å; A640-L643 PolarHBondContact O-N 3.4Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L643-K645 PolarHBondContact O-N 2.98Å; L643-K646 WeakPolarHBondContact O-CB 3.31Å; L643-K646 PolarHBondContact O-N 3.18Å; L643-I647 HydrophobicContact CD1-CD1 3.83Å; L643-I647 HydrophobicContact CD1-CG1 4.18Å; L643-I647 HydrophobicContact CG-CD1 3.73Å; L643-I647 WeakPolarHBondContact O-CD1 3.45Å; L643-I647 VanDerWaalsContact O-CG1 3.26Å; L643-I647 WeakPolarHBondContact O-CG1 3.5Å; L643-I647 PolarHBondContact O-N 3.16Å
644L96.1Very high91.8Very high0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-62.1-42.7179.4-73.8163.9000112.7L625 A628 A640 L641 K646 I647 S648 L665 A668 A672L625-L644 HydrophobicContact CD1-CD2 3.97Å; A628-L644 HydrophobicContact CB-CD1 4.06Å; A628-L644 HydrophobicContact CB-CD2 3.76Å; A628-L644 HydrophobicContact CB-CG 3.61Å; A640-L644 WeakPolarHBondContact O-CB 3.28Å; A640-L644 VanDerWaalsContact O-CG 3.28Å; A640-L644 WeakPolarHBondContact O-CG 3.25Å; A640-L644 PolarHBondContact O-N 3.21Å; L641-L644 PolarHBondContact O-N 3.01Å; L644-K646 VanDerWaalsContact C-N 3.34Å; L644-K646 PolarHBondContact O-N 3.22Å; L644-I647 PolarHBondContact O-N 2.77Å; L644-S648 VanDerWaalsContact O-CB 3.27Å; L644-S648 WeakPolarHBondContact O-CB 3.41Å; L644-S648 PolarHBondContact O-N 2.87Å; L644-S648 PolarHBondContact O-OG 2.73Å; L644-L665 HydrophobicContact CD2-CD2 4.13Å; L644-A668 HydrophobicContact CD1-CB 4.15Å; L644-A668 HydrophobicContact CD2-CB 3.89Å; L644-A672 HydrophobicContact CD1-CB 4.16Å
645K95.4Very high92.5Very high103 Ų10354.1 Ų54.145%0.44828%0.282SS..Hα-helixtrans-61.3-43.6175-77.3-179.8176.4-1790111.9L641 L643 S649 Y673L641-K645 HydrophobicContact CD1-CD 4.44Å; L641-K645 HydrophobicContact CD1-CG 4.26Å; L641-K645 HydrophobicContact CG-CD 4.3Å; L641-K645 WeakPolarHBondContact O-CB 3.34Å; L641-K645 WeakPolarHBondContact O-CG 3.38Å; L641-K645 PolarHBondContact O-N 2.97Å; L643-K645 PolarHBondContact O-N 2.98Å; K645-S649 PolarHBondContact O-N 3.04Å; K645-Y673 WeakPolarHBondContact CE-OH 3.46Å; K645-Y673 PolarHBondContact NZ-OH 3.47Å
646K94.8Very high93Very high117 Ų11750.1 Ų50.151%0.50926%0.26SS..Hα-helixtrans-60.2-50.1176.7-178.9-178.1175.9-177.30110.6H642 L643 L644 S649 Q650H642-K646 PolarHBondContact O-N 3.37Å; H642-K646 VanDerWaalsContact O-N 3.14Å; L643-K646 WeakPolarHBondContact O-CB 3.31Å; L643-K646 PolarHBondContact O-N 3.18Å; L644-K646 VanDerWaalsContact C-N 3.34Å; L644-K646 PolarHBondContact O-N 3.22Å; K646-S649 PolarHBondContact O-N 2.74Å; K646-S649 PolarHBondContact O-OG 3.14Å; K646-Q650 WeakPolarHBondContact O-CG 3.48Å; K646-Q650 PolarHBondContact O-N 2.88Å
647I94.7Very high93.1Very high4 Ų453.6 Ų53.62%0.02128%0.279CS..Hα-helixtrans-64.8-44.9-179-59.4153.2000110.7F621 A624 L643 L644 S649 Q650 S651 L665F621-I647 HydrophobicContact CB-CG2 4.17Å; F621-I647 HydrophobicContact CD1-CG2 3.86Å; F621-I647 HydrophobicContact CG-CG2 4.24Å; A624-I647 HydrophobicContact CB-CD1 3.25Å; A624-I647 HydrophobicContact CB-CG1 3.71Å; L643-I647 HydrophobicContact CD1-CD1 3.83Å; L643-I647 HydrophobicContact CD1-CG1 4.18Å; L643-I647 HydrophobicContact CG-CD1 3.73Å; L643-I647 WeakPolarHBondContact O-CD1 3.45Å; L643-I647 VanDerWaalsContact O-CG1 3.26Å; L643-I647 WeakPolarHBondContact O-CG1 3.5Å; L643-I647 PolarHBondContact O-N 3.16Å; L644-I647 PolarHBondContact O-N 2.77Å; I647-S649 PolarHBondContact O-N 3.31Å; I647-Q650 CarbonylContact O-C 3.59Å; I647-Q650 WeakPolarHBondContact O-CA 3.43Å; I647-Q650 WeakPolarHBondContact O-CB 3.45Å; I647-Q650 PolarHBondContact O-N 3.44Å; I647-S651 WeakPolarHBondContact O-CB 3.24Å; I647-S651 PolarHBondContact O-N 3.47Å; I647-S651 PolarHBondContact O-OG 2.93Å; I647-L665 HydrophobicContact CB-CD2 4.27Å; I647-L665 HydrophobicContact CG2-CD1 4.02Å; I647-L665 HydrophobicContact CG2-CD2 3.74Å
648S92.8Very high93Very high33 Ų3355.4 Ų55.423%0.23129%0.29CS..Hα-helixtrans-59.1-37179.9-59.20000112.2L644 Q650 S651 G652L644-S648 VanDerWaalsContact O-CB 3.27Å; L644-S648 WeakPolarHBondContact O-CB 3.41Å; L644-S648 PolarHBondContact O-N 2.87Å; L644-S648 PolarHBondContact O-OG 2.73Å; S648-Q650 VanDerWaalsContact C-N 3.34Å; S648-Q650 PolarHBondContact O-N 3.25Å; S648-S651 VanDerWaalsContact CA-OG 3.32Å; S648-S651 WeakPolarHBondContact CA-OG 3.11Å; S648-S651 PolarHBondContact O-OG 3.23Å; S648-S651 VanDerWaalsContact O-OG 3.1Å; S648-G652 PolarHBondContact O-N 2.87Å
649S91.4Very high92.8Very high74 Ų7452.3 Ų52.352%0.51727%0.269SS..Hα-helixtrans-66-35.6175770000112.8K645 K646 I647K645-S649 PolarHBondContact O-N 3.04Å; K646-S649 PolarHBondContact O-N 2.74Å; K646-S649 PolarHBondContact O-OG 3.14Å; I647-S649 PolarHBondContact O-N 3.31Å
650Q92.3Very high92.5Very high91 Ų9149.9 Ų49.943%0.42526%0.261SS..Hα-helixtrans-79.4-42.8179.2-67.4178.9-29.100111.6F621 K646 I647 S648 G652 L653F621-Q650 HydrophobicContact CE1-CB 3.98Å; F621-Q650 HydrophobicContact CZ-CB 4.38Å; K646-Q650 WeakPolarHBondContact O-CG 3.48Å; K646-Q650 PolarHBondContact O-N 2.88Å; I647-Q650 CarbonylContact O-C 3.59Å; I647-Q650 WeakPolarHBondContact O-CA 3.43Å; I647-Q650 WeakPolarHBondContact O-CB 3.45Å; I647-Q650 PolarHBondContact O-N 3.44Å; S648-Q650 VanDerWaalsContact C-N 3.34Å; S648-Q650 PolarHBondContact O-N 3.25Å; Q650-G652 VanDerWaalsContact C-N 3.34Å; Q650-L653 WeakPolarHBondContact O-CB 3.35Å; Q650-L653 PolarHBondContact O-N 3.35Å; Q650-L653 VanDerWaalsContact O-N 3.12Å
651S93.1Very high92.3Very high0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-64.6-39.2178.166.10000111I647 S648 L653 L654 L655 Q662 L665I647-S651 WeakPolarHBondContact O-CB 3.24Å; I647-S651 PolarHBondContact O-N 3.47Å; I647-S651 PolarHBondContact O-OG 2.93Å; S648-S651 VanDerWaalsContact CA-OG 3.32Å; S648-S651 WeakPolarHBondContact CA-OG 3.11Å; S648-S651 PolarHBondContact O-OG 3.23Å; S648-S651 VanDerWaalsContact O-OG 3.1Å; S651-L653 PolarHBondContact O-N 3.35Å; S651-L654 CarbonylContact O-C 3.39Å; S651-L654 PolarHBondContact O-N 3.22Å; S651-L655 WeakPolarHBondContact O-CB 3.12Å; S651-L655 PolarHBondContact O-N 3.49Å; S651-Q662 PolarHBondContact O-NE2 3.39Å; S651-Q662 PolarHBondContact OG-NE2 2.89Å; S651-Q662 VanDerWaalsContact OG-NE2 3.11Å; S651-Q662 PolarHBondContact OG-OE1 3.27Å; S651-L665 WeakPolarHBondContact OG-CD1 3.44Å
652G91.3Very high92.1Very high25 Ų2550.2 Ų50.226%0.25826%0.263SS..THydrogen-bonded Turntrans-62.3-11.4174.400000114.2S648 Q650 Q662S648-G652 PolarHBondContact O-N 2.87Å; Q650-G652 VanDerWaalsContact C-N 3.34Å; G652-Q662 VanDerWaalsContact CA-NE2 3.31Å; G652-Q662 VanDerWaalsContact N-NE2 3.1Å
653L91.1Very high92Very high91 Ų9143.9 Ų43.948%0.47623%0.234SC..THydrogen-bonded Turntrans-78-25.6170.6-56.7178.2000113.6Q650 S651Q650-L653 WeakPolarHBondContact O-CB 3.35Å; Q650-L653 PolarHBondContact O-N 3.35Å; Q650-L653 VanDerWaalsContact O-N 3.12Å; S651-L653 PolarHBondContact O-N 3.35Å
654L91.7Very high91.7Very high3 Ų346.4 Ų46.42%0.01625%0.246CC..THydrogen-bonded Turntrans-119.3-25.9-171-178.763.4000113.1L581 L582 T584 L590 I609 K617 F621 S651L581-L654 CarbonylContact C-O 3.43Å; L581-L654 WeakPolarHBondContact CA-O 3.22Å; L581-L654 HydrophobicContact CD2-CG 4.33Å; L582-L654 PolarHBondContact N-O 3.03Å; T584-L654 HydrophobicContact CG2-CD1 4.44Å; L590-L654 HydrophobicContact CD1-CD1 4.32Å; I609-L654 HydrophobicContact CD1-CD1 4.37Å; K617-L654 HydrophobicContact CB-CD2 3.91Å; K617-L654 HydrophobicContact CD-CD2 3.81Å; F621-L654 HydrophobicContact CE2-CD2 4.34Å; S651-L654 CarbonylContact O-C 3.39Å; S651-L654 PolarHBondContact O-N 3.22Å
655L92.3Very high91.7Very high0 Ų046.4 Ų46.40%025%0.246CC..BIsolated β-bridgetrans-116.5134.5-172.4-49-177000109.7L581 L618 F621 S651 H659 L661 Q662L581-L655 HydrophobicContact CD2-CD2 3.48Å; L581-L655 VanDerWaalsContact CD2-CD2 3.48Å; L618-L655 HydrophobicContact CD2-CD1 4.16Å; L618-L655 HydrophobicContact CD2-CD2 3.69Å; F621-L655 HydrophobicContact CD2-CD1 4.26Å; F621-L655 HydrophobicContact CE2-CD1 4.46Å; S651-L655 WeakPolarHBondContact O-CB 3.12Å; S651-L655 PolarHBondContact O-N 3.49Å; L655-H659 HydrophobicContact CB-CB 4Å; L655-L661 HydrophobicContact CD1-CB 4.16Å; L655-L661 HydrophobicContact CD1-CD2 4.13Å; L655-L661 HydrophobicContact CD1-CG 4.36Å; L655-Q662 HydrophobicContact CB-CG 3.71Å; L655-Q662 HydrophobicContact CD1-CG 4.19Å
656R90.5Very high91.6Very high57 Ų5741.8 Ų41.822%0.21523%0.227CC..  trans-64.5154.9167.8-71.8-174.2178.2-160.88.8110.3E578 G580 L582 T658 H659 Q662E578-R656 IonicContact OE1-CZ 3.56Å; E578-R656 VanDerWaalsContact OE1-CZ 3.31Å; E578-R656 IonicContact OE1-NH1 3.35Å; E578-R656 PolarHBondContact OE1-NH1 3.46Å; E578-R656 IonicContact OE1-NH2 3.41Å; E578-R656 PolarHBondContact OE1-NH2 2.79Å; E578-R656 IonicContact OE2-CZ 3.48Å; E578-R656 IonicContact OE2-NH1 3.22Å; E578-R656 PolarHBondContact OE2-NH1 2.87Å; E578-R656 IonicContact OE2-NH2 2.67Å; G580-R656 WeakPolarHBondContact O-CB 3.39Å; G580-R656 PolarHBondContact O-N 3.11Å; L582-R656 HydrophobicContact CD1-CG 4.32Å; L582-R656 HydrophobicContact CD2-CG 3.47Å; L582-R656 VanDerWaalsContact CD2-CG 3.47Å; L582-R656 HydrophobicContact CG-CG 3.75Å; R656-T658 PolarHBondContact O-N 3.03Å; R656-T658 VanDerWaalsContact O-N 3.11Å; R656-H659 WeakPolarHBondContact O-CB 3.33Å; R656-H659 PolarHBondContact O-N 2.95Å; R656-Q662 WeakPolarHBondContact O-CG 3.49Å
657D88.4Confident91.6Very high130 Ų13038.2 Ų38.270%0.69521%0.213SC*.THydrogen-bonded Turntrans-60.7-23.9178.3-57.3-23.8000112.8H659D657-H659 VanDerWaalsContact C-N 3.32Å
658T87.4Confident91.4Very high61 Ų6138.3 Ų38.337%0.37422%0.215SC..THydrogen-bonded Turntrans-82.9-2.7175.656.10000114.3R656R656-T658 PolarHBondContact O-N 3.03Å; R656-T658 VanDerWaalsContact O-N 3.11Å
659H89.5Confident91.5Very high29 Ų2936.8 Ų36.813%0.13420%0.204CC..SBendtrans-70.6137.4-179.1-174.9-77.2000110.9L655 R656 D657 L661 Q662 G663L655-H659 HydrophobicContact CB-CB 4Å; R656-H659 WeakPolarHBondContact O-CB 3.33Å; R656-H659 PolarHBondContact O-N 2.95Å; D657-H659 VanDerWaalsContact C-N 3.32Å; H659-L661 VanDerWaalsContact C-N 3.35Å; H659-L661 WeakPolarHBondContact ND1-CB 3.41Å; H659-L661 PolarHBondContact ND1-N 3.33Å; H659-L661 VanDerWaalsContact ND1-N 3.12Å; H659-L661 PolarHBondContact O-N 3.43Å; H659-Q662 HydrophobicContact CB-CG 4.25Å; H659-Q662 WeakPolarHBondContact O-CA 3.44Å; H659-Q662 WeakPolarHBondContact O-CB 3.24Å; H659-Q662 PolarHBondContact O-N 3.4Å; H659-G663 PolarHBondContact O-N 3.48Å
660P88.1Confident91.6Very high45 Ų4533.4 Ų33.429%0.29218%0.18SC..Hα-helixtrans-52.8-46.4-176.1-29.435.5000114.2Q662 G663 E664 Q696P660-Q662 PolarHBondContact O-N 3.35Å; P660-G663 WeakPolarHBondContact O-CA 3.48Å; P660-G663 PolarHBondContact O-N 2.86Å; P660-E664 PolarHBondContact O-N 3.02Å; P660-Q696 HydrophobicContact CG-CG 4.48Å
661L90.1Very high91.6Very high1 Ų130.2 Ų30.21%0.00516%0.164CC..Hα-helixtrans-62.3-27.4177.3-172.658.2000113.6L618 F621 R622 L625 L655 H659 L665L618-L661 HydrophobicContact CD2-CD2 3.92Å; F621-L661 HydrophobicContact CB-CD2 3.74Å; F621-L661 HydrophobicContact CD2-CD2 4.2Å; R622-L661 HydrophobicContact CG-CD1 3.94Å; R622-L661 HydrophobicContact CG-CD2 4.25Å; L625-L661 HydrophobicContact CD2-CD1 4.18Å; L655-L661 HydrophobicContact CD1-CB 4.16Å; L655-L661 HydrophobicContact CD1-CD2 4.13Å; L655-L661 HydrophobicContact CD1-CG 4.36Å; H659-L661 VanDerWaalsContact C-N 3.35Å; H659-L661 WeakPolarHBondContact ND1-CB 3.41Å; H659-L661 PolarHBondContact ND1-N 3.33Å; H659-L661 VanDerWaalsContact ND1-N 3.12Å; H659-L661 PolarHBondContact O-N 3.43Å; L661-L665 HydrophobicContact CG-CD1 4.45Å; L661-L665 WeakPolarHBondContact O-CB 3.2Å; L661-L665 WeakPolarHBondContact O-CD1 3.34Å; L661-L665 VanDerWaalsContact O-CG 3.26Å; L661-L665 WeakPolarHBondContact O-CG 3.37Å; L661-L665 PolarHBondContact O-N 3.01Å
662Q92.4Very high91.5Very high21 Ų2130.2 Ų30.210%0.09816%0.164CC..Hα-helixtrans-71.1-39.1171.2-71-70.729.200111.2S651 G652 L655 R656 H659 P660 E664 L665 A666S651-Q662 PolarHBondContact O-NE2 3.39Å; S651-Q662 PolarHBondContact OG-NE2 2.89Å; S651-Q662 VanDerWaalsContact OG-NE2 3.11Å; S651-Q662 PolarHBondContact OG-OE1 3.27Å; G652-Q662 VanDerWaalsContact CA-NE2 3.31Å; G652-Q662 VanDerWaalsContact N-NE2 3.1Å; L655-Q662 HydrophobicContact CB-CG 3.71Å; L655-Q662 HydrophobicContact CD1-CG 4.19Å; R656-Q662 WeakPolarHBondContact O-CG 3.49Å; H659-Q662 HydrophobicContact CB-CG 4.25Å; H659-Q662 WeakPolarHBondContact O-CA 3.44Å; H659-Q662 WeakPolarHBondContact O-CB 3.24Å; H659-Q662 PolarHBondContact O-N 3.4Å; P660-Q662 PolarHBondContact O-N 3.35Å; Q662-E664 VanDerWaalsContact C-N 3.34Å; Q662-E664 PolarHBondContact O-N 2.88Å; Q662-L665 PolarHBondContact O-N 3.14Å; Q662-A666 VanDerWaalsContact O-CB 3.27Å; Q662-A666 WeakPolarHBondContact O-CB 3.26Å; Q662-A666 PolarHBondContact O-N 3.24Å
663G91.8Very high91.7Very high4 Ų430.1 Ų30.14%0.04116%0.156CC..Hα-helixtrans-60.2-42.117300000112.9H659 P660 A666 D667 S689H659-G663 PolarHBondContact O-N 3.48Å; P660-G663 WeakPolarHBondContact O-CA 3.48Å; P660-G663 PolarHBondContact O-N 2.86Å; G663-A666 PolarHBondContact O-N 3.24Å; G663-D667 PolarHBondContact O-N 3.46Å; G663-S689 WeakPolarHBondContact O-CB 3.43Å; G663-S689 PolarHBondContact O-OG 2.96Å
664E91.5Very high91.7Very high86 Ų8625.9 Ų25.940%0.40213%0.134SC..Hα-helixtrans-65-45.9175.5-68.5172.8-149.900112.2L625 P660 Q662 A666 D667 A668L625-E664 HydrophobicContact CD2-CB 3.84Å; P660-E664 PolarHBondContact O-N 3.02Å; Q662-E664 VanDerWaalsContact C-N 3.34Å; Q662-E664 PolarHBondContact O-N 2.88Å; E664-A666 VanDerWaalsContact C-N 3.3Å; E664-A666 PolarHBondContact O-N 3.03Å; E664-D667 PolarHBondContact O-N 3.29Å; E664-A668 PolarHBondContact O-N 3.08Å
665L94.4Very high91.5Very high0 Ų028.2 Ų28.20%015%0.151CC..Hα-helixtrans-60.7-40.6175-75.5166.8000111.5L625 L644 I647 S651 L661 Q662 T669L625-L665 HydrophobicContact CB-CD2 4.13Å; L625-L665 HydrophobicContact CD1-CD2 4.23Å; L644-L665 HydrophobicContact CD2-CD2 4.13Å; I647-L665 HydrophobicContact CB-CD2 4.27Å; I647-L665 HydrophobicContact CG2-CD1 4.02Å; I647-L665 HydrophobicContact CG2-CD2 3.74Å; S651-L665 WeakPolarHBondContact OG-CD1 3.44Å; L661-L665 HydrophobicContact CG-CD1 4.45Å; L661-L665 WeakPolarHBondContact O-CB 3.2Å; L661-L665 WeakPolarHBondContact O-CD1 3.34Å; L661-L665 VanDerWaalsContact O-CG 3.26Å; L661-L665 WeakPolarHBondContact O-CG 3.37Å; L661-L665 PolarHBondContact O-N 3.01Å; Q662-L665 PolarHBondContact O-N 3.14Å; L665-T669 VanDerWaalsContact O-CB 3.29Å; L665-T669 WeakPolarHBondContact O-CB 3.22Å; L665-T669 PolarHBondContact O-N 2.96Å; L665-T669 PolarHBondContact O-OG1 3.21Å
666A95.2Very high91.4Very high6 Ų631.9 Ų31.95%0.0517%0.17CC..Hα-helixtrans-67.1-42.6177.600000112Q662 G663 E664 T669 A670 H685 Q688Q662-A666 VanDerWaalsContact O-CB 3.27Å; Q662-A666 WeakPolarHBondContact O-CB 3.26Å; Q662-A666 PolarHBondContact O-N 3.24Å; G663-A666 PolarHBondContact O-N 3.24Å; E664-A666 VanDerWaalsContact C-N 3.3Å; E664-A666 PolarHBondContact O-N 3.03Å; A666-T669 PolarHBondContact O-N 3.2Å; A666-A670 WeakPolarHBondContact O-CB 3.28Å; A666-A670 PolarHBondContact O-N 3.05Å; A666-H685 WeakPolarHBondContact CB-O 3.4Å; A666-H685 WeakPolarHBondContact O-CB 3.08Å; A666-Q688 HydrophobicContact CB-CB 4.13Å
667D92.8Very high91.4Very high41 Ų4130.4 Ų30.422%0.21917%0.173CC..Hα-helixtrans-60.8-47.4175.2-170.564.1000111.6G663 E664 T669 A670 R671 L686 Q707 K710G663-D667 PolarHBondContact O-N 3.46Å; E664-D667 PolarHBondContact O-N 3.29Å; D667-T669 VanDerWaalsContact C-N 3.32Å; D667-T669 PolarHBondContact O-N 3.01Å; D667-A670 WeakPolarHBondContact O-CB 3.25Å; D667-A670 PolarHBondContact O-N 3.25Å; D667-R671 PolarHBondContact O-N 3.47Å; D667-L686 WeakPolarHBondContact OD1-CD2 3.07Å; D667-Q707 PolarHBondContact OD1-NE2 3.06Å; D667-Q707 PolarHBondContact OD1-OE1 3.19Å; D667-K710 VanDerWaalsContact CG-NZ 3.3Å; D667-K710 IonicContact OD1-NZ 2.72Å; D667-K710 PolarHBondContact OD1-NZ 2.91Å; D667-K710 IonicContact OD2-NZ 2.8Å; D667-K710 PolarHBondContact OD2-NZ 3.39Å
668A92Very high91.8Very high7 Ų726.9 Ų26.96%0.05815%0.154CC..Hα-helixtrans-63-38.6176.300000112.4L625 M632 L644 E664 R671 A672L625-A668 HydrophobicContact CD1-CB 3.51Å; M632-A668 HydrophobicContact CE-CB 4.16Å; L644-A668 HydrophobicContact CD1-CB 4.15Å; L644-A668 HydrophobicContact CD2-CB 3.89Å; E664-A668 PolarHBondContact O-N 3.08Å; A668-R671 PolarHBondContact O-N 3.04Å; A668-A672 PolarHBondContact O-N 3.45Å
669T94.6Very high92.1Very high1 Ų126.5 Ų26.51%0.00615%0.146CC..Hα-helixtrans-65.6-42176.2-58.10000111.2L641 L665 A666 D667 R671 A672 Y673L641-T669 HydrophobicContact CD1-CG2 3.91Å; L665-T669 VanDerWaalsContact O-CB 3.29Å; L665-T669 WeakPolarHBondContact O-CB 3.22Å; L665-T669 PolarHBondContact O-N 2.96Å; L665-T669 PolarHBondContact O-OG1 3.21Å; A666-T669 PolarHBondContact O-N 3.2Å; D667-T669 VanDerWaalsContact C-N 3.32Å; D667-T669 PolarHBondContact O-N 3.01Å; T669-R671 VanDerWaalsContact C-N 3.34Å; T669-R671 PolarHBondContact O-N 3.35Å; T669-A672 PolarHBondContact O-N 3.45Å; T669-Y673 HydrophobicContact CG2-CD2 3.81Å; T669-Y673 HydrophobicContact CG2-CE2 3.68Å; T669-Y673 VanDerWaalsContact O-CD2 3.28Å; T669-Y673 WeakPolarHBondContact O-CD2 3.23Å; T669-Y673 PolarHBondContact O-N 3Å
670A94.2Very high92.4Very high2 Ų233.1 Ų33.12%0.01717%0.174CC..Hα-helixtrans-61-43.9175.600000112.2A666 D667 A672 Y673 A674 A682 H685 L686A666-A670 WeakPolarHBondContact O-CB 3.28Å; A666-A670 PolarHBondContact O-N 3.05Å; D667-A670 WeakPolarHBondContact O-CB 3.25Å; D667-A670 PolarHBondContact O-N 3.25Å; A670-A672 PolarHBondContact O-N 3.41Å; A670-Y673 PolarHBondContact O-N 3.04Å; A670-A674 WeakPolarHBondContact O-CB 3.07Å; A670-A674 PolarHBondContact O-N 3.47Å; A670-A682 VanDerWaalsContact CB-O 3.29Å; A670-A682 WeakPolarHBondContact CB-O 3.41Å; A670-A682 WeakPolarHBondContact O-CB 3.45Å; A670-H685 HydrophobicContact CB-CB 3.81Å; A670-L686 HydrophobicContact CB-CD2 3.67Å; A670-L686 HydrophobicContact CB-CG 3.56Å
671R90.5Very high92.8Very high25 Ų2533.7 Ų33.79%0.09418%0.175CC..Hα-helixtrans-58.3-47.2175-177.8179.4165.2-159.3-7.4111.5M632 E633 D667 A668 T669 Y673 A674 S675M632-R671 HydrophobicContact SD-CB 4.12Å; M632-R671 HydrophobicContact SD-CG 3.91Å; E633-R671 IonicContact OE1-CZ 2.8Å; E633-R671 IonicContact OE1-NH1 3.83Å; E633-R671 PolarHBondContact OE1-NH1 3.02Å; E633-R671 IonicContact OE1-NH2 2.7Å; E633-R671 PolarHBondContact OE1-NH2 2.95Å; E633-R671 IonicContact OE2-NH2 3.66Å; E633-R671 PolarHBondContact OE2-NH2 3.18Å; D667-R671 PolarHBondContact O-N 3.47Å; A668-R671 PolarHBondContact O-N 3.04Å; T669-R671 VanDerWaalsContact C-N 3.34Å; T669-R671 PolarHBondContact O-N 3.35Å; R671-Y673 VanDerWaalsContact C-N 3.34Å; R671-Y673 PolarHBondContact O-N 3.19Å; R671-A674 PolarHBondContact O-N 2.93Å; R671-S675 PolarHBondContact O-N 3.49Å; R671-S675 PolarHBondContact O-OG 3Å
672A91.8Very high93.1Very high0 Ų033.7 Ų33.70%018%0.175CC..Hα-helixtrans-59.7-42.7177.700000112.3M632 L641 L644 A668 T669 A670 S675 L676M632-A672 HydrophobicContact SD-CB 3.86Å; L641-A672 HydrophobicContact CB-CB 4.07Å; L641-A672 HydrophobicContact CD1-CB 4.18Å; L644-A672 HydrophobicContact CD1-CB 4.16Å; A668-A672 PolarHBondContact O-N 3.45Å; T669-A672 PolarHBondContact O-N 3.45Å; A670-A672 PolarHBondContact O-N 3.41Å; A672-S675 PolarHBondContact O-N 2.99Å; A672-L676 WeakPolarHBondContact O-CG 3.43Å; A672-L676 PolarHBondContact O-N 2.71Å
673Y94.8Very high93.3Very high22 Ų2232.9 Ų32.99%0.08617%0.172CC..Hα-helixtrans-64.5-41.9174.6-84.2-63.5000113L641 K645 T669 A670 R671 S675 L676 G677 D678 N681 H685L641-Y673 HydrophobicContact CD1-CD1 4.49Å; L641-Y673 HydrophobicContact CD1-CD2 3.92Å; L641-Y673 HydrophobicContact CD1-CE1 4.34Å; L641-Y673 HydrophobicContact CD1-CE2 3.68Å; L641-Y673 HydrophobicContact CD1-CG 4.33Å; L641-Y673 HydrophobicContact CD2-CD1 3.91Å; L641-Y673 HydrophobicContact CD2-CE1 3.71Å; L641-Y673 HydrophobicContact CD2-CG 4.47Å; K645-Y673 WeakPolarHBondContact CE-OH 3.46Å; K645-Y673 PolarHBondContact NZ-OH 3.47Å; T669-Y673 HydrophobicContact CG2-CD2 3.81Å; T669-Y673 HydrophobicContact CG2-CE2 3.68Å; T669-Y673 VanDerWaalsContact O-CD2 3.28Å; T669-Y673 WeakPolarHBondContact O-CD2 3.23Å; T669-Y673 PolarHBondContact O-N 3Å; A670-Y673 PolarHBondContact O-N 3.04Å; R671-Y673 VanDerWaalsContact C-N 3.34Å; R671-Y673 PolarHBondContact O-N 3.19Å; Y673-S675 VanDerWaalsContact C-N 3.34Å; Y673-S675 PolarHBondContact O-N 3.13Å; Y673-L676 CarbonylContact O-C 3.44Å; Y673-L676 WeakPolarHBondContact O-CA 3.35Å; Y673-L676 PolarHBondContact O-N 3.38Å; Y673-L676 VanDerWaalsContact O-N 3.08Å; Y673-G677 PolarHBondContact O-N 2.85Å; Y673-G677 VanDerWaalsContact O-N 3.13Å; Y673-D678 HydrophobicContact CD1-CB 3.84Å; Y673-D678 PolarHBondContact O-N 2.92Å; Y673-N681 HydrophobicContact CD1-CB 3.72Å; Y673-N681 HydrophobicContact CD2-CB 3.86Å; Y673-N681 HydrophobicContact CE1-CB 3.69Å; Y673-N681 HydrophobicContact CE2-CB 3.88Å; Y673-N681 HydrophobicContact CG-CB 3.77Å; Y673-H685 AromaticContact CD2-CD2 3.66Å; Y673-H685 AromaticContact CE2-CD2 3.5Å; Y673-H685 VanDerWaalsContact CE2-CD2 3.5Å; Y673-H685 WeakPolarHBondContact CE2-CD2 3.5Å; Y673-H685 AromaticContact CE2-NE2 3.49Å; Y673-H685 WeakPolarHBondContact CE2-NE2 3.45Å
674A91.1Very high93.6Very high2 Ų235.4 Ų35.42%0.01719%0.187CC..Hα-helixtrans-63.1-39.8177.100000112V453 A670 R671 L676 G677 W679 A682V453-A674 HydrophobicContact CG2-CB 3.54Å; A670-A674 WeakPolarHBondContact O-CB 3.07Å; A670-A674 PolarHBondContact O-N 3.47Å; R671-A674 PolarHBondContact O-N 2.93Å; A674-L676 PolarHBondContact O-N 2.93Å; A674-G677 PolarHBondContact O-N 3.41Å; A674-W679 HydrophobicContact CB-CE3 4.28Å; A674-W679 HydrophobicContact CB-CZ3 3.89Å; A674-A682 HydrophobicContact CB-CB 4.09Å
675S87.8Confident93.8Very high52 Ų5233.1 Ų33.136%0.36418%0.176SC..Hα-helixtrans-60.4-31.7172.4-620000112.6R671 A672 Y673 G677R671-S675 PolarHBondContact O-N 3.49Å; R671-S675 PolarHBondContact O-OG 3Å; A672-S675 PolarHBondContact O-N 2.99Å; Y673-S675 VanDerWaalsContact C-N 3.34Å; Y673-S675 PolarHBondContact O-N 3.13Å; S675-G677 VanDerWaalsContact C-N 3.31Å
676L91.1Very high93.9Very high77 Ų7733.2 Ų33.240%0.40318%0.176SC..THydrogen-bonded Turntrans-84.2-2.7175-63172.1000113.5P637 V638 L641 A672 Y673 A674 D678P637-L676 HydrophobicContact CB-CD2 4.18Å; P637-L676 HydrophobicContact CB-CG 4.23Å; P637-L676 HydrophobicContact CG-CD2 3.78Å; P637-L676 HydrophobicContact CG-CG 4.32Å; V638-L676 HydrophobicContact CG2-CD2 3.69Å; L641-L676 HydrophobicContact CD2-CD1 3.58Å; A672-L676 WeakPolarHBondContact O-CG 3.43Å; A672-L676 PolarHBondContact O-N 2.71Å; Y673-L676 CarbonylContact O-C 3.44Å; Y673-L676 WeakPolarHBondContact O-CA 3.35Å; Y673-L676 PolarHBondContact O-N 3.38Å; Y673-L676 VanDerWaalsContact O-N 3.08Å; A674-L676 PolarHBondContact O-N 2.93Å; L676-D678 VanDerWaalsContact C-N 3.3Å
677G90.8Very high94Very high26 Ų2637.8 Ų37.827%0.26820%0.196SC..THydrogen-bonded Turntrans76.112.2-176.800000114.7Y673 A674 S675 W679Y673-G677 PolarHBondContact O-N 2.85Å; Y673-G677 VanDerWaalsContact O-N 3.13Å; A674-G677 PolarHBondContact O-N 3.41Å; S675-G677 VanDerWaalsContact C-N 3.31Å; G677-W679 PolarHBondContact O-N 3.47Å; G677-W679 PolarHBondContact O-NE1 3.42Å
678D95.1Very high94.1Very high57 Ų5740.5 Ų40.531%0.30521%0.208SC..  trans-90.577.2175.8-172.2-15.7000110.5Y673 L676 K680 N681 A682Y673-D678 HydrophobicContact CD1-CB 3.84Å; Y673-D678 PolarHBondContact O-N 2.92Å; L676-D678 VanDerWaalsContact C-N 3.3Å; D678-K680 VanDerWaalsContact C-N 3.27Å; D678-K680 PolarHBondContact O-N 3.39Å; D678-N681 PolarHBondContact OD1-N 2.9Å; D678-N681 PolarHBondContact OD1-ND2 3.2Å; D678-N681 PolarHBondContact OD2-ND2 3.05Å; D678-A682 WeakPolarHBondContact O-CB 3.41Å; D678-A682 PolarHBondContact O-N 3.31Å
679W95.2Very high94.2Very high52 Ų5240.2 Ų40.220%0.19721%0.206CC..Hα-helixtrans-64.5-30.4-174.2-52.5110.6000113.8R452 A674 G677 A683 V714 N717 G718R452-W679 HydrophobicContact CB-CH2 3.69Å; R452-W679 HydrophobicContact CB-CZ3 4.33Å; R452-W679 HydrophobicContact CG-CH2 4.18Å; A674-W679 HydrophobicContact CB-CE3 4.28Å; A674-W679 HydrophobicContact CB-CZ3 3.89Å; G677-W679 PolarHBondContact O-N 3.47Å; G677-W679 PolarHBondContact O-NE1 3.42Å; W679-A683 WeakPolarHBondContact O-CB 3.24Å; W679-A683 PolarHBondContact O-N 3.04Å; W679-V714 HydrophobicContact CE3-CG1 4.33Å; W679-V714 WeakPolarHBondContact O-CG1 3.34Å; W679-N717 HydrophobicContact CD2-CB 4.19Å; W679-N717 HydrophobicContact CE3-CB 3.89Å; W679-N717 HydrophobicContact CH2-CB 3.49Å; W679-N717 VanDerWaalsContact CH2-CB 3.49Å; W679-N717 HydrophobicContact CZ2-CB 3.84Å; W679-N717 HydrophobicContact CZ3-CB 3.53Å; W679-G718 VanDerWaalsContact CD1-CA 3.45Å
680K95.9Very high94.3Very high168 Ų16840.6 Ų40.673%0.7321%0.209SC*.Hα-helixtrans-70.1-47.5-177.9-175.3-178.7178.8-178.10111.1D678 A682 A683 T684D678-K680 VanDerWaalsContact C-N 3.27Å; D678-K680 PolarHBondContact O-N 3.39Å; K680-A682 VanDerWaalsContact C-N 3.34Å; K680-A683 PolarHBondContact O-N 3.45Å; K680-T684 PolarHBondContact O-N 3.04Å; K680-T684 VanDerWaalsContact O-N 3.16Å; K680-T684 PolarHBondContact O-OG1 3.28Å
681N96.4Very high94.3Very high58 Ų5843.1 Ų43.131%0.3123%0.23SC..Hα-helixtrans-69.4-36176.1-74.7-40000111.3Y673 D678 A683 T684 H685Y673-N681 HydrophobicContact CD1-CB 3.72Å; Y673-N681 HydrophobicContact CD2-CB 3.86Å; Y673-N681 HydrophobicContact CE1-CB 3.69Å; Y673-N681 HydrophobicContact CE2-CB 3.88Å; Y673-N681 HydrophobicContact CG-CB 3.77Å; D678-N681 PolarHBondContact OD1-N 2.9Å; D678-N681 PolarHBondContact OD1-ND2 3.2Å; D678-N681 PolarHBondContact OD2-ND2 3.05Å; N681-A683 PolarHBondContact O-N 3.17Å; N681-T684 PolarHBondContact O-N 2.91Å; N681-H685 PolarHBondContact O-CD2 3.26Å; N681-H685 VanDerWaalsContact O-CD2 3.26Å; N681-H685 PolarHBondContact O-N 3.12Å; N681-H685 VanDerWaalsContact O-N 3.11Å
682A96.3Very high94.3Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-56.6-48.3172.500000112A670 A674 D678 K680 T684 H685 L686 V714A670-A682 VanDerWaalsContact CB-O 3.29Å; A670-A682 WeakPolarHBondContact CB-O 3.41Å; A670-A682 WeakPolarHBondContact O-CB 3.45Å; A674-A682 HydrophobicContact CB-CB 4.09Å; D678-A682 WeakPolarHBondContact O-CB 3.41Å; D678-A682 PolarHBondContact O-N 3.31Å; K680-A682 VanDerWaalsContact C-N 3.34Å; A682-T684 PolarHBondContact O-N 3.38Å; A682-H685 PolarHBondContact O-N 3.31Å; A682-L686 WeakPolarHBondContact O-CG 3.46Å; A682-L686 PolarHBondContact O-N 3.47Å; A682-V714 HydrophobicContact CB-CG1 3.78Å; A682-V714 HydrophobicContact CB-CG2 4.38Å
683A96.8Very high94.3Very high5 Ų543.2 Ų43.24%0.04123%0.231CC..Hα-helixtrans-60.7-45.3178.300000112.2W679 K680 N681 H685 L686 E687 L711 V714W679-A683 WeakPolarHBondContact O-CB 3.24Å; W679-A683 PolarHBondContact O-N 3.04Å; K680-A683 PolarHBondContact O-N 3.45Å; N681-A683 PolarHBondContact O-N 3.17Å; A683-H685 VanDerWaalsContact C-N 3.29Å; A683-H685 PolarHBondContact O-N 2.99Å; A683-L686 PolarHBondContact O-N 2.98Å; A683-L686 VanDerWaalsContact O-N 3.12Å; A683-E687 WeakPolarHBondContact O-CG 3.49Å; A683-E687 PolarHBondContact O-N 2.9Å; A683-L711 HydrophobicContact CB-CD1 3.82Å; A683-V714 HydrophobicContact CB-CG1 3.96Å
684T97.1Very high94.2Very high57 Ų5744 Ų4435%0.3524%0.24SC..Hα-helixtrans-57.8-42.1179.3-54.20000111.7K680 N681 A682 E687 Q688K680-T684 PolarHBondContact O-N 3.04Å; K680-T684 VanDerWaalsContact O-N 3.16Å; K680-T684 PolarHBondContact O-OG1 3.28Å; N681-T684 PolarHBondContact O-N 2.91Å; A682-T684 PolarHBondContact O-N 3.38Å; T684-E687 PolarHBondContact O-N 2.97Å; T684-Q688 WeakPolarHBondContact O-CG 3.12Å; T684-Q688 PolarHBondContact O-N 2.83Å
685H96.7Very high94.1Very high37 Ų3747.5 Ų47.517%0.17127%0.265CS..Hα-helixtrans-74.2-32.6177.9-77.4-65000112.9A666 A670 Y673 N681 A682 A683 E687 Q688 S689A666-H685 WeakPolarHBondContact CB-O 3.4Å; A666-H685 WeakPolarHBondContact O-CB 3.08Å; A670-H685 HydrophobicContact CB-CB 3.81Å; Y673-H685 AromaticContact CD2-CD2 3.66Å; Y673-H685 AromaticContact CE2-CD2 3.5Å; Y673-H685 VanDerWaalsContact CE2-CD2 3.5Å; Y673-H685 WeakPolarHBondContact CE2-CD2 3.5Å; Y673-H685 AromaticContact CE2-NE2 3.49Å; Y673-H685 WeakPolarHBondContact CE2-NE2 3.45Å; N681-H685 PolarHBondContact O-CD2 3.26Å; N681-H685 VanDerWaalsContact O-CD2 3.26Å; N681-H685 PolarHBondContact O-N 3.12Å; N681-H685 VanDerWaalsContact O-N 3.11Å; A682-H685 PolarHBondContact O-N 3.31Å; A683-H685 VanDerWaalsContact C-N 3.29Å; A683-H685 PolarHBondContact O-N 2.99Å; H685-E687 VanDerWaalsContact C-N 3.34Å; H685-Q688 PolarHBondContact ND1-OE1 2.77Å; H685-Q688 WeakPolarHBondContact O-CB 3.33Å; H685-Q688 PolarHBondContact O-N 3.39Å; H685-S689 PolarHBondContact O-N 3.23Å
686L95.9Very high93.9Very high2 Ų247.3 Ų47.31%0.0126%0.258CS..Hα-helixtrans-66.1-35.7171.7-72.2178.4000112.2D667 A670 A682 A683 S689 A690 K710 L711 V714D667-L686 WeakPolarHBondContact OD1-CD2 3.07Å; A670-L686 HydrophobicContact CB-CD2 3.67Å; A670-L686 HydrophobicContact CB-CG 3.56Å; A682-L686 WeakPolarHBondContact O-CG 3.46Å; A682-L686 PolarHBondContact O-N 3.47Å; A683-L686 PolarHBondContact O-N 2.98Å; A683-L686 VanDerWaalsContact O-N 3.12Å; L686-S689 PolarHBondContact O-N 3.38Å; L686-A690 WeakPolarHBondContact O-CB 3.4Å; L686-A690 PolarHBondContact O-N 2.84Å; L686-K710 HydrophobicContact CD1-CB 4.08Å; L686-K710 HydrophobicContact CD2-CB 4.33Å; L686-K710 HydrophobicContact CD2-CD 4.46Å; L686-L711 HydrophobicContact CB-CB 4.3Å; L686-L711 HydrophobicContact CB-CD1 3.97Å; L686-L711 HydrophobicContact CD1-CB 4.24Å; L686-L711 HydrophobicContact CD1-CD1 4.38Å; L686-V714 HydrophobicContact CD1-CB 4.01Å; L686-V714 HydrophobicContact CD1-CG2 3.52Å
687E96.4Very high93.7Very high102 Ų10246 Ų4648%0.47725%0.248SC..Hα-helixtrans-62.5-42.4173.2-71.7171.617800111.7A683 T684 H685 A690 A691 L711A683-E687 WeakPolarHBondContact O-CG 3.49Å; A683-E687 PolarHBondContact O-N 2.9Å; T684-E687 PolarHBondContact O-N 2.97Å; H685-E687 VanDerWaalsContact C-N 3.34Å; E687-A690 PolarHBondContact O-N 3.31Å; E687-A691 PolarHBondContact O-N 3.49Å; E687-L711 HydrophobicContact CG-CD1 4.32Å; E687-L711 HydrophobicContact CG-CD2 3.94Å
688Q95.1Very high93.6Very high99 Ų9946.2 Ų46.246%0.46325%0.25SC..Hα-helixtrans-61.2-45.2173.5-69.6170.4-8.600111.5A666 T684 H685 A690 A691 A692A666-Q688 HydrophobicContact CB-CB 4.13Å; T684-Q688 WeakPolarHBondContact O-CG 3.12Å; T684-Q688 PolarHBondContact O-N 2.83Å; H685-Q688 PolarHBondContact ND1-OE1 2.77Å; H685-Q688 WeakPolarHBondContact O-CB 3.33Å; H685-Q688 PolarHBondContact O-N 3.39Å; Q688-A690 PolarHBondContact O-N 3.04Å; Q688-A691 PolarHBondContact O-N 2.83Å; Q688-A692 PolarHBondContact O-N 3.18Å
689S95.3Very high93.4Very high1 Ų150.2 Ų50.21%0.00727%0.265CS..Hα-helixtrans-62-43.3176.3-172.80000111.9G663 H685 L686 A691 A692 I693 Q707G663-S689 WeakPolarHBondContact O-CB 3.43Å; G663-S689 PolarHBondContact O-OG 2.96Å; H685-S689 PolarHBondContact O-N 3.23Å; L686-S689 PolarHBondContact O-N 3.38Å; S689-A691 VanDerWaalsContact C-N 3.29Å; S689-A691 PolarHBondContact O-N 3.38Å; S689-A692 PolarHBondContact O-N 2.9Å; S689-I693 WeakPolarHBondContact O-CG1 3.37Å; S689-I693 PolarHBondContact O-N 3.01Å; S689-Q707 PolarHBondContact OG-NE2 2.9Å
690A95.5Very high93.2Very high9 Ų950.5 Ų50.57%0.07427%0.27CS..Hα-helixtrans-62.3-34.9176.700000112.5L686 E687 Q688 S694 L704 Q707 L708L686-A690 WeakPolarHBondContact O-CB 3.4Å; L686-A690 PolarHBondContact O-N 2.84Å; E687-A690 PolarHBondContact O-N 3.31Å; Q688-A690 PolarHBondContact O-N 3.04Å; A690-S694 VanDerWaalsContact O-CB 3.22Å; A690-S694 WeakPolarHBondContact O-CB 3.33Å; A690-S694 PolarHBondContact O-N 2.89Å; A690-L704 HydrophobicContact CB-CD1 3.99Å; A690-L704 WeakPolarHBondContact O-CD1 3.38Å; A690-Q707 HydrophobicContact CB-CG 4.12Å; A690-L708 HydrophobicContact CB-CD2 4.03Å
691A94.3Very high93Very high55 Ų5543.1 Ų43.146%0.45524%0.24SC..Hα-helixtrans-66-44174.900000112.1E687 Q688 S689 S694 S695E687-A691 PolarHBondContact O-N 3.49Å; Q688-A691 PolarHBondContact O-N 2.83Å; S689-A691 VanDerWaalsContact C-N 3.29Å; S689-A691 PolarHBondContact O-N 3.38Å; A691-S694 PolarHBondContact O-N 3.31Å; A691-S695 WeakPolarHBondContact O-CB 3.36Å; A691-S695 PolarHBondContact O-N 3.27Å
692A91.6Very high92.6Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-62.6-46.9174.900000111.7Q688 S689 S694 S695 Q696Q688-A692 PolarHBondContact O-N 3.18Å; S689-A692 PolarHBondContact O-N 2.9Å; A692-S694 PolarHBondContact O-N 3.4Å; A692-S695 PolarHBondContact O-N 2.89Å; A692-Q696 PolarHBondContact O-N 3.09Å
693I91.5Very high92.3Very high26 Ų2644.5 Ų44.513%0.13325%0.245CC..Hα-helixtrans-62.2-44.9177.6-70.3174.5000111.1S689 S695 Q696 Y697 E703 L704 Q707S689-I693 WeakPolarHBondContact O-CG1 3.37Å; S689-I693 PolarHBondContact O-N 3.01Å; I693-S695 VanDerWaalsContact C-N 3.28Å; I693-S695 PolarHBondContact O-N 3.47Å; I693-Q696 PolarHBondContact O-N 3.27Å; I693-Q696 VanDerWaalsContact O-N 3.15Å; I693-Y697 HydrophobicContact CB-CD2 4.5Å; I693-Y697 HydrophobicContact CG2-CD2 3.91Å; I693-Y697 WeakPolarHBondContact O-CD2 3.37Å; I693-Y697 PolarHBondContact O-N 2.9Å; I693-E703 HydrophobicContact CG2-CB 3.78Å; I693-L704 HydrophobicContact CG2-CB 4.05Å; I693-L704 HydrophobicContact CG2-CD1 4.45Å; I693-Q707 HydrophobicContact CD1-CB 3.77Å; I693-Q707 HydrophobicContact CD1-CG 3.76Å
694S92.8Very high92.1Very high39 Ų3944.4 Ų44.427%0.27324%0.244SC..Hα-helixtrans-63.4-34.4177.7-175.60000112.4A690 A691 A692 G698A690-S694 VanDerWaalsContact O-CB 3.22Å; A690-S694 WeakPolarHBondContact O-CB 3.33Å; A690-S694 PolarHBondContact O-N 2.89Å; A691-S694 PolarHBondContact O-N 3.31Å; A692-S694 PolarHBondContact O-N 3.4Å; S694-G698 CarbonylContact O-C 3.56Å; S694-G698 VanDerWaalsContact O-CA 3.23Å; S694-G698 WeakPolarHBondContact O-CA 3.39Å; S694-G698 PolarHBondContact O-N 2.92Å; S694-G698 VanDerWaalsContact O-N 3.09Å
695S88.4Confident92Very high76 Ų7641.7 Ų41.753%0.53123%0.227SC..Hα-helixtrans-70.5-33.6175.8-173.50000112A691 A692 I693A691-S695 WeakPolarHBondContact O-CB 3.36Å; A691-S695 PolarHBondContact O-N 3.27Å; A692-S695 PolarHBondContact O-N 2.89Å; I693-S695 VanDerWaalsContact C-N 3.28Å; I693-S695 PolarHBondContact O-N 3.47Å
696Q84.8Confident91.7Very high47 Ų4742.6 Ų42.622%0.2223%0.232CC..Hα-helixtrans-83.7-48.1-177.2-177.3177.45.900112.5N540 P660 A692 I693N540-Q696 VanDerWaalsContact CB-O 3.31Å; N540-Q696 WeakPolarHBondContact CB-O 3.34Å; N540-Q696 VanDerWaalsContact CG-O 3.3Å; N540-Q696 WeakPolarHBondContact O-CG 3.38Å; N540-Q696 PolarHBondContact O-NE2 3.45Å; P660-Q696 HydrophobicContact CG-CG 4.48Å; A692-Q696 PolarHBondContact O-N 3.09Å; I693-Q696 PolarHBondContact O-N 3.27Å; I693-Q696 VanDerWaalsContact O-N 3.15Å
697Y86.5Confident91.6Very high51 Ų5143 Ų4320%0.223%0.233CC..Hα-helixtrans-103.9-16.8-169.8-62.2-77.1000113.7N540 R541 I693 S701 E703N540-Y697 HydrophobicContact CB-CD1 3.87Å; N540-Y697 HydrophobicContact CB-CE1 4.22Å; N540-Y697 PolarHBondContact ND2-O 3.49Å; R541-Y697 HydrophobicContact CG-CE1 3.76Å; I693-Y697 HydrophobicContact CB-CD2 4.5Å; I693-Y697 HydrophobicContact CG2-CD2 3.91Å; I693-Y697 WeakPolarHBondContact O-CD2 3.37Å; I693-Y697 PolarHBondContact O-N 2.9Å; Y697-S701 WeakPolarHBondContact CB-OG 3.24Å; Y697-E703 HydrophobicContact CD1-CG 4.3Å; Y697-E703 HydrophobicContact CD2-CB 4.05Å; Y697-E703 HydrophobicContact CD2-CG 4.2Å; Y697-E703 HydrophobicContact CE1-CG 4.43Å; Y697-E703 HydrophobicContact CE2-CB 4.45Å; Y697-E703 HydrophobicContact CE2-CG 4.29Å; Y697-E703 HydrophobicContact CG-CB 4.25Å; Y697-E703 HydrophobicContact CG-CG 4.18Å
698G88.4Confident91.5Very high29 Ų2938.7 Ų38.730%0.29921%0.213SC..  trans99.8169.5-176.500000113.4S694 D700S694-G698 CarbonylContact O-C 3.56Å; S694-G698 VanDerWaalsContact O-CA 3.23Å; S694-G698 WeakPolarHBondContact O-CA 3.39Å; S694-G698 PolarHBondContact O-N 2.92Å; S694-G698 VanDerWaalsContact O-N 3.09Å; G698-D700 VanDerWaalsContact C-N 3.33Å; G698-D700 PolarHBondContact O-N 2.97Å
699K91.5Very high91.5Very high142 Ų14234.4 Ų34.462%0.61719%0.193SC*.THydrogen-bonded Turntrans-76.9-14.5-172.660.5177.8-179.9-179.30115.3L704 I734K699-L704 WeakPolarHBondContact O-CD2 3.48Å; K699-I734 WeakPolarHBondContact O-CD1 3.36Å
700D90.9Very high91.4Very high58 Ų5836.3 Ų36.331%0.3120%0.201SC..THydrogen-bonded Turntrans-120.721.2-177.1-63-50.3000111.1G698 R733 L737 H738G698-D700 VanDerWaalsContact C-N 3.33Å; G698-D700 PolarHBondContact O-N 2.97Å; D700-R733 IonicContact OD1-CZ 2.87Å; D700-R733 IonicContact OD1-NE 3.08Å; D700-R733 IonicContact OD1-NH2 3.37Å; D700-R733 PolarHBondContact OD1-NH2 2.72Å; D700-L737 HydrophobicContact CB-CD2 4.11Å; D700-H738 PolarHBondContact O-NE2 3.42Å
701S90.4Very high91.4Very high13 Ų1336.1 Ų36.19%0.09120%0.199CC..  trans-84.3150.7-179.385.70000112.5Y697 E703 L704 G705 I734Y697-S701 WeakPolarHBondContact CB-OG 3.24Å; S701-E703 VanDerWaalsContact CB-OE2 3.32Å; S701-E703 WeakPolarHBondContact CB-OE2 3.34Å; S701-E703 PolarHBondContact O-N 3.12Å; S701-E703 PolarHBondContact OG-OE2 3.39Å; S701-L704 PolarHBondContact O-N 3.47Å; S701-L704 PolarHBondContact OG-N 2.87Å; S701-G705 PolarHBondContact O-N 3.21Å; S701-G705 VanDerWaalsContact O-N 3.11Å; S701-I734 WeakPolarHBondContact O-CG2 3.42Å
702L89.1Confident91.4Very high37 Ų3733.5 Ų33.519%0.19418%0.178CC..Hα-helixtrans-57.8-39.9175.3179.959.1000111.6L704 G705 Q706 L735 H738L702-L704 VanDerWaalsContact C-N 3.3Å; L702-L704 PolarHBondContact O-N 3.49Å; L702-G705 WeakPolarHBondContact O-CA 3.46Å; L702-G705 PolarHBondContact O-N 3.13Å; L702-G705 VanDerWaalsContact O-N 3.08Å; L702-Q706 HydrophobicContact CD1-CG 4.32Å; L702-Q706 HydrophobicContact CG-CG 4.47Å; L702-Q706 WeakPolarHBondContact O-CG 3.33Å; L702-Q706 PolarHBondContact O-N 2.96Å; L702-L735 HydrophobicContact CD1-CD2 3.9Å; L702-H738 HydrophobicContact CB-CB 4.4Å; L702-H738 HydrophobicContact CD1-CB 3.96Å; L702-H738 PolarHBondContact N-CD2 3.46Å; L702-H738 PolarHBondContact N-NE2 2.93Å; L702-H738 VanDerWaalsContact N-NE2 3.2Å
703E89.3Confident91.5Very high50 Ų5034 Ų3423%0.23418%0.18CC..Hα-helixtrans-59-41.2178.6-62.187.8166.600111.8R541 I693 Y697 S701 Q707R541-E703 IonicContact CZ-OE1 2.71Å; R541-E703 IonicContact NH2-OE1 2.71Å; R541-E703 PolarHBondContact NH2-OE1 3.14Å; I693-E703 HydrophobicContact CG2-CB 3.78Å; Y697-E703 HydrophobicContact CD1-CG 4.3Å; Y697-E703 HydrophobicContact CD2-CB 4.05Å; Y697-E703 HydrophobicContact CD2-CG 4.2Å; Y697-E703 HydrophobicContact CE1-CG 4.43Å; Y697-E703 HydrophobicContact CE2-CB 4.45Å; Y697-E703 HydrophobicContact CE2-CG 4.29Å; Y697-E703 HydrophobicContact CG-CB 4.25Å; Y697-E703 HydrophobicContact CG-CG 4.18Å; S701-E703 VanDerWaalsContact CB-OE2 3.32Å; S701-E703 WeakPolarHBondContact CB-OE2 3.34Å; S701-E703 PolarHBondContact O-N 3.12Å; S701-E703 PolarHBondContact OG-OE2 3.39Å; E703-Q707 PolarHBondContact O-N 3.33Å
704L93.5Very high91.6Very high2 Ų232.8 Ų32.81%0.0117%0.174CC..Hα-helixtrans-68.9-39.3175.9-178.361.1000111.3A690 I693 K699 S701 L702 Q706 Q707 L708 I734A690-L704 HydrophobicContact CB-CD1 3.99Å; A690-L704 WeakPolarHBondContact O-CD1 3.38Å; I693-L704 HydrophobicContact CG2-CB 4.05Å; I693-L704 HydrophobicContact CG2-CD1 4.45Å; K699-L704 WeakPolarHBondContact O-CD2 3.48Å; S701-L704 PolarHBondContact O-N 3.47Å; S701-L704 PolarHBondContact OG-N 2.87Å; L702-L704 VanDerWaalsContact C-N 3.3Å; L702-L704 PolarHBondContact O-N 3.49Å; L704-Q706 VanDerWaalsContact C-N 3.35Å; L704-Q706 PolarHBondContact O-N 3.47Å; L704-Q707 PolarHBondContact O-N 2.88Å; L704-L708 HydrophobicContact CD1-CD1 4.09Å; L704-L708 HydrophobicContact CD1-CG 4.01Å; L704-L708 HydrophobicContact CD2-CD1 4.49Å; L704-L708 HydrophobicContact CG-CD1 3.91Å; L704-L708 HydrophobicContact CG-CG 4.26Å; L704-L708 WeakPolarHBondContact O-CB 3.36Å; L704-L708 VanDerWaalsContact O-CG 3.27Å; L704-L708 WeakPolarHBondContact O-CG 3.34Å; L704-L708 PolarHBondContact O-N 3.5Å; L704-I734 HydrophobicContact CD2-CD1 4.26Å; L704-I734 HydrophobicContact CG-CD1 4.33Å
705G93.6Very high91.8Very high0 Ų031.7 Ų31.70%016%0.164CC..Hα-helixtrans-56.9-47.6175.100000112.1S701 L702 L708 F709S701-G705 PolarHBondContact O-N 3.21Å; S701-G705 VanDerWaalsContact O-N 3.11Å; L702-G705 WeakPolarHBondContact O-CA 3.46Å; L702-G705 PolarHBondContact O-N 3.13Å; L702-G705 VanDerWaalsContact O-N 3.08Å; G705-L708 PolarHBondContact O-N 3.21Å; G705-F709 WeakPolarHBondContact O-CB 3.36Å; G705-F709 PolarHBondContact O-N 3.08Å
706Q90.6Very high92Very high57 Ų5731 Ų3127%0.26615%0.152SC..Hα-helixtrans-64.6-41.5177.1-70.9172.2-25.600112.3L702 L704 F709 K710L702-Q706 HydrophobicContact CD1-CG 4.32Å; L702-Q706 HydrophobicContact CG-CG 4.47Å; L702-Q706 WeakPolarHBondContact O-CG 3.33Å; L702-Q706 PolarHBondContact O-N 2.96Å; L704-Q706 VanDerWaalsContact C-N 3.35Å; L704-Q706 PolarHBondContact O-N 3.47Å; Q706-F709 WeakPolarHBondContact O-CB 3.29Å; Q706-F709 PolarHBondContact O-N 3.03Å; Q706-K710 PolarHBondContact O-N 2.78Å; Q706-K710 VanDerWaalsContact O-N 3.11Å
707Q93.2Very high92.3Very high9 Ų931.9 Ų31.94%0.04216%0.158CC..Hα-helixtrans-66.2-41.8178.3-166.665.213.100112.3D667 S689 A690 I693 E703 L704 F709 K710 L711D667-Q707 PolarHBondContact OD1-NE2 3.06Å; D667-Q707 PolarHBondContact OD1-OE1 3.19Å; S689-Q707 PolarHBondContact OG-NE2 2.9Å; A690-Q707 HydrophobicContact CB-CG 4.12Å; I693-Q707 HydrophobicContact CD1-CB 3.77Å; I693-Q707 HydrophobicContact CD1-CG 3.76Å; E703-Q707 PolarHBondContact O-N 3.33Å; L704-Q707 PolarHBondContact O-N 2.88Å; Q707-F709 VanDerWaalsContact C-N 3.29Å; Q707-F709 PolarHBondContact O-N 3.42Å; Q707-K710 WeakPolarHBondContact O-CB 3.23Å; Q707-K710 PolarHBondContact O-N 3.46Å; Q707-L711 PolarHBondContact O-N 3.18Å; Q707-L711 VanDerWaalsContact O-N 3.17Å
708L95.8Very high92.6Very high12 Ų1231.1 Ų31.16%0.06317%0.166CC..Hα-helixtrans-68.8-29.7175.6-67.9175.3000111.8A690 L704 G705 L711 V712 V727 K730 V731 I734A690-L708 HydrophobicContact CB-CD2 4.03Å; L704-L708 HydrophobicContact CD1-CD1 4.09Å; L704-L708 HydrophobicContact CD1-CG 4.01Å; L704-L708 HydrophobicContact CD2-CD1 4.49Å; L704-L708 HydrophobicContact CG-CD1 3.91Å; L704-L708 HydrophobicContact CG-CG 4.26Å; L704-L708 WeakPolarHBondContact O-CB 3.36Å; L704-L708 VanDerWaalsContact O-CG 3.27Å; L704-L708 WeakPolarHBondContact O-CG 3.34Å; L704-L708 PolarHBondContact O-N 3.5Å; G705-L708 PolarHBondContact O-N 3.21Å; L708-L711 HydrophobicContact CD2-CD2 4.2Å; L708-L711 WeakPolarHBondContact O-CB 3.16Å; L708-L711 PolarHBondContact O-N 3.03Å; L708-V712 WeakPolarHBondContact O-CG2 3.46Å; L708-V712 PolarHBondContact O-N 2.92Å; L708-V727 HydrophobicContact CB-CG1 4.1Å; L708-V727 HydrophobicContact CD2-CG1 4.29Å; L708-K730 HydrophobicContact CD1-CD 3.76Å; L708-K730 HydrophobicContact CD1-CG 4.03Å; L708-V731 HydrophobicContact CB-CG2 3.49Å; L708-V731 VanDerWaalsContact CB-CG2 3.49Å; L708-I734 HydrophobicContact CD1-CD1 4.25Å
709F93.9Very high92.7Very high9 Ų932.8 Ų32.84%0.03918%0.183CC..Hα-helixtrans-62.5-45.3171.8-179.6-108.3000111.8G705 Q706 Q707 L711 V712 Q713 V731 E745 E748 L749G705-F709 WeakPolarHBondContact O-CB 3.36Å; G705-F709 PolarHBondContact O-N 3.08Å; Q706-F709 WeakPolarHBondContact O-CB 3.29Å; Q706-F709 PolarHBondContact O-N 3.03Å; Q707-F709 VanDerWaalsContact C-N 3.29Å; Q707-F709 PolarHBondContact O-N 3.42Å; F709-L711 PolarHBondContact O-N 3.48Å; F709-V712 WeakPolarHBondContact O-CB 3.35Å; F709-V712 PolarHBondContact O-N 3.11Å; F709-V712 VanDerWaalsContact O-N 3.1Å; F709-Q713 HydrophobicContact CE1-CG 4.38Å; F709-Q713 HydrophobicContact CZ-CG 4.47Å; F709-Q713 PolarHBondContact O-N 3.13Å; F709-V731 HydrophobicContact CB-CG1 3.93Å; F709-V731 HydrophobicContact CD2-CG1 4.18Å; F709-E745 HydrophobicContact CE1-CB 4.46Å; F709-E745 HydrophobicContact CE1-CG 4.43Å; F709-E745 WeakPolarHBondContact CE2-O 3.49Å; F709-E745 HydrophobicContact CZ-CB 4.39Å; F709-E748 HydrophobicContact CE2-CB 4.46Å; F709-E748 HydrophobicContact CZ-CB 3.98Å; F709-E748 HydrophobicContact CZ-CG 3.97Å; F709-L749 HydrophobicContact CD2-CB 4.42Å; F709-L749 HydrophobicContact CD2-CD1 4.08Å; F709-L749 HydrophobicContact CE2-CB 4.02Å; F709-L749 HydrophobicContact CE2-CD1 4.26Å
710K93.1Very high92.7Very high41 Ų4127.5 Ų27.518%0.17817%0.166CC..Hα-helixtrans-56.9-39.2171-66.3176.5-179.4169.90112V453 D667 L686 Q706 Q707 V712 Q713 V714V453-K710 HydrophobicContact CG1-CB 4.47Å; V453-K710 HydrophobicContact CG1-CG 4.46Å; D667-K710 VanDerWaalsContact CG-NZ 3.3Å; D667-K710 IonicContact OD1-NZ 2.72Å; D667-K710 PolarHBondContact OD1-NZ 2.91Å; D667-K710 IonicContact OD2-NZ 2.8Å; D667-K710 PolarHBondContact OD2-NZ 3.39Å; L686-K710 HydrophobicContact CD1-CB 4.08Å; L686-K710 HydrophobicContact CD2-CB 4.33Å; L686-K710 HydrophobicContact CD2-CD 4.46Å; Q706-K710 PolarHBondContact O-N 2.78Å; Q706-K710 VanDerWaalsContact O-N 3.11Å; Q707-K710 WeakPolarHBondContact O-CB 3.23Å; Q707-K710 PolarHBondContact O-N 3.46Å; K710-V712 VanDerWaalsContact C-N 3.34Å; K710-V712 PolarHBondContact O-N 3.22Å; K710-Q713 WeakPolarHBondContact O-CB 3.4Å; K710-Q713 PolarHBondContact O-N 2.97Å; K710-V714 PolarHBondContact O-N 3.34Å
711L95.4Very high92.8Very high6 Ų628.9 Ų28.93%0.03117%0.166CC..Hα-helixtrans-63.7-39.7177.4179.962000111.8A683 L686 E687 Q707 L708 F709 V714 H715 V727A683-L711 HydrophobicContact CB-CD1 3.82Å; L686-L711 HydrophobicContact CB-CB 4.3Å; L686-L711 HydrophobicContact CB-CD1 3.97Å; L686-L711 HydrophobicContact CD1-CB 4.24Å; L686-L711 HydrophobicContact CD1-CD1 4.38Å; E687-L711 HydrophobicContact CG-CD1 4.32Å; E687-L711 HydrophobicContact CG-CD2 3.94Å; Q707-L711 PolarHBondContact O-N 3.18Å; Q707-L711 VanDerWaalsContact O-N 3.17Å; L708-L711 HydrophobicContact CD2-CD2 4.2Å; L708-L711 WeakPolarHBondContact O-CB 3.16Å; L708-L711 PolarHBondContact O-N 3.03Å; F709-L711 PolarHBondContact O-N 3.48Å; L711-V714 PolarHBondContact O-N 3.35Å; L711-H715 WeakPolarHBondContact CD1-NE2 3.48Å; L711-H715 PolarHBondContact O-CD2 3.23Å; L711-H715 VanDerWaalsContact O-CD2 3.28Å; L711-H715 PolarHBondContact O-N 3.19Å; L711-V727 HydrophobicContact CD2-CG1 4.48Å; L711-V727 HydrophobicContact CD2-CG2 4.2Å
712V95.5Very high93Very high0 Ų030.6 Ų30.60%019%0.186CC..Hα-helixtrans-60.9-46.3172.6174.40000110.9L708 F709 K710 V714 H715 F716 V727 I728 V731 L749 L752L708-V712 WeakPolarHBondContact O-CG2 3.46Å; L708-V712 PolarHBondContact O-N 2.92Å; F709-V712 WeakPolarHBondContact O-CB 3.35Å; F709-V712 PolarHBondContact O-N 3.11Å; F709-V712 VanDerWaalsContact O-N 3.1Å; K710-V712 VanDerWaalsContact C-N 3.34Å; K710-V712 PolarHBondContact O-N 3.22Å; V712-V714 VanDerWaalsContact C-N 3.34Å; V712-V714 PolarHBondContact O-N 3.27Å; V712-H715 PolarHBondContact O-N 3.04Å; V712-F716 VanDerWaalsContact O-CB 3.31Å; V712-F716 WeakPolarHBondContact O-CB 3.19Å; V712-F716 PolarHBondContact O-N 3.02Å; V712-V727 HydrophobicContact CG2-CB 3.89Å; V712-V727 HydrophobicContact CG2-CG1 3.68Å; V712-I728 HydrophobicContact CG1-CD1 4.09Å; V712-I728 HydrophobicContact CG1-CG1 3.73Å; V712-I728 HydrophobicContact CG2-CG1 3.93Å; V712-V731 HydrophobicContact CG2-CG2 4.05Å; V712-L749 HydrophobicContact CG1-CD1 4.11Å; V712-L749 HydrophobicContact CG2-CD1 4.41Å; V712-L752 HydrophobicContact CG1-CD1 4.23Å
713Q93.3Very high93.3Very high9 Ų931.6 Ų31.64%0.04220%0.195CC..Hα-helixtrans-58.9-44.3177.1-69.6174-3500111.7F709 K710 F716 N717 E748 L752F709-Q713 HydrophobicContact CE1-CG 4.38Å; F709-Q713 HydrophobicContact CZ-CG 4.47Å; F709-Q713 PolarHBondContact O-N 3.13Å; K710-Q713 WeakPolarHBondContact O-CB 3.4Å; K710-Q713 PolarHBondContact O-N 2.97Å; Q713-F716 PolarHBondContact O-N 3.44Å; Q713-N717 WeakPolarHBondContact O-CB 3.41Å; Q713-N717 VanDerWaalsContact O-CG 3.23Å; Q713-N717 PolarHBondContact O-N 3.4Å; Q713-N717 PolarHBondContact O-ND2 3.06Å; Q713-E748 PolarHBondContact NE2-OE1 3.22Å; Q713-L752 HydrophobicContact CG-CD1 4.3Å
714V94.4Very high93.5Very high1 Ų129.2 Ų29.21%0.00618%0.184CC..Hα-helixtrans-63.6-44.5177.2166.40000112.1V453 W679 A682 A683 L686 K710 L711 V712 G718V453-V714 HydrophobicContact CG2-CG2 3.71Å; W679-V714 HydrophobicContact CE3-CG1 4.33Å; W679-V714 WeakPolarHBondContact O-CG1 3.34Å; A682-V714 HydrophobicContact CB-CG1 3.78Å; A682-V714 HydrophobicContact CB-CG2 4.38Å; A683-V714 HydrophobicContact CB-CG1 3.96Å; L686-V714 HydrophobicContact CD1-CB 4.01Å; L686-V714 HydrophobicContact CD1-CG2 3.52Å; K710-V714 PolarHBondContact O-N 3.34Å; L711-V714 PolarHBondContact O-N 3.35Å; V712-V714 VanDerWaalsContact C-N 3.34Å; V712-V714 PolarHBondContact O-N 3.27Å; V714-G718 PolarHBondContact O-N 2.81Å
715H95.3Very high93.6Very high17 Ų1731.6 Ų31.68%0.07920%0.196CC..Hα-helixtrans-64.4-41.8176-74.8-47.7000112.2L711 V712 G718 G719 A720 P723 A724L711-H715 WeakPolarHBondContact CD1-NE2 3.48Å; L711-H715 PolarHBondContact O-CD2 3.23Å; L711-H715 VanDerWaalsContact O-CD2 3.28Å; L711-H715 PolarHBondContact O-N 3.19Å; V712-H715 PolarHBondContact O-N 3.04Å; H715-G718 CarbonylContact O-C 3.44Å; H715-G718 PolarHBondContact O-N 3.25Å; H715-G719 PolarHBondContact O-N 3.2Å; H715-A720 HydrophobicContact CB-CB 4.19Å; H715-A720 PolarHBondContact O-N 3.02Å; H715-P723 VanDerWaalsContact CE1-CB 3.49Å; H715-P723 WeakPolarHBondContact CE1-CB 3.42Å; H715-A724 HydrophobicContact CB-CB 3.73Å
716F93.4Very high93.8Very high62 Ų6235.7 Ų35.727%0.27223%0.225SC..Hα-helixtrans-59.6-52.4176.8-177.4-89.5000111.2V712 Q713 G718 G719 L752 C755 L756V712-F716 VanDerWaalsContact O-CB 3.31Å; V712-F716 WeakPolarHBondContact O-CB 3.19Å; V712-F716 PolarHBondContact O-N 3.02Å; Q713-F716 PolarHBondContact O-N 3.44Å; F716-G718 VanDerWaalsContact C-N 3.25Å; F716-G718 PolarHBondContact O-N 3.22Å; F716-G719 PolarHBondContact O-N 3.42Å; F716-L752 HydrophobicContact CB-CD2 4.38Å; F716-L752 HydrophobicContact CD1-CD2 3.67Å; F716-L752 HydrophobicContact CD2-CB 4.27Å; F716-L752 HydrophobicContact CD2-CD2 3.7Å; F716-L752 HydrophobicContact CE1-CD2 3.76Å; F716-L752 HydrophobicContact CE2-CB 4.45Å; F716-L752 HydrophobicContact CE2-CD2 3.8Å; F716-L752 HydrophobicContact CG-CD2 3.65Å; F716-L752 HydrophobicContact CZ-CD2 3.83Å; F716-C755 HydrophobicContact CE2-CB 3.75Å; F716-C755 HydrophobicContact CZ-CB 3.97Å; F716-L756 HydrophobicContact CD2-CD1 3.93Å; F716-L756 HydrophobicContact CD2-CD2 3.66Å; F716-L756 HydrophobicContact CD2-CG 3.62Å; F716-L756 HydrophobicContact CE2-CD2 4.01Å; F716-L756 HydrophobicContact CE2-CG 3.88Å
717N91.2Very high94.1Very high65 Ų6533.9 Ų33.935%0.34822%0.218SC..Hα-helixtrans-64.2-30.3179.7-70.3-25.3000113R452 W679 Q713 G719R452-N717 PolarHBondContact O-ND2 2.97Å; W679-N717 HydrophobicContact CD2-CB 4.19Å; W679-N717 HydrophobicContact CE3-CB 3.89Å; W679-N717 HydrophobicContact CH2-CB 3.49Å; W679-N717 VanDerWaalsContact CH2-CB 3.49Å; W679-N717 HydrophobicContact CZ2-CB 3.84Å; W679-N717 HydrophobicContact CZ3-CB 3.53Å; Q713-N717 WeakPolarHBondContact O-CB 3.41Å; Q713-N717 VanDerWaalsContact O-CG 3.23Å; Q713-N717 PolarHBondContact O-N 3.4Å; Q713-N717 PolarHBondContact O-ND2 3.06Å; N717-G719 VanDerWaalsContact C-N 3.3Å
718G91.9Very high94.2Very high35 Ų3533.5 Ų33.536%0.36122%0.216SC..THydrogen-bonded Turntrans-81.10.5173.400000115.4W679 V714 H715 F716 A720W679-G718 VanDerWaalsContact CD1-CA 3.45Å; V714-G718 PolarHBondContact O-N 2.81Å; H715-G718 CarbonylContact O-C 3.44Å; H715-G718 PolarHBondContact O-N 3.25Å; F716-G718 VanDerWaalsContact C-N 3.25Å; F716-G718 PolarHBondContact O-N 3.22Å; G718-A720 PolarHBondContact O-N 2.89Å
719G91.3Very high94.3Very high63 Ų6336.2 Ų36.265%0.64924%0.235SC*.THydrogen-bonded Turntrans69.912-176.700000114.5H715 F716 N717 R721H715-G719 PolarHBondContact O-N 3.2Å; F716-G719 PolarHBondContact O-N 3.42Å; N717-G719 VanDerWaalsContact C-N 3.3Å; G719-R721 VanDerWaalsContact C-N 3.31Å; G719-R721 PolarHBondContact O-N 2.95Å
720A92.3Very high94.4Very high32 Ų3240 Ų4026%0.26425%0.251SS..  trans-8272.4-178.300000111.2H715 G718 G722 P723 A724H715-A720 HydrophobicContact CB-CB 4.19Å; H715-A720 PolarHBondContact O-N 3.02Å; G718-A720 PolarHBondContact O-N 2.89Å; A720-G722 PolarHBondContact O-N 3.46Å; A720-P723 HydrophobicContact CB-CB 4.4Å; A720-P723 HydrophobicContact CB-CG 4.15Å; A720-P723 WeakPolarHBondContact O-CD 3.37Å; A720-A724 PolarHBondContact O-N 3.42Å; A720-A724 VanDerWaalsContact O-N 3.09Å
721R92.6Very high94.5Very high86 Ų8638.1 Ų38.133%0.32524%0.243SC..Hα-helixtrans-55-50.6-174.7-177.6-177.8-177.9-178.49.1114.2G719 A724 L725 L756 Q757 S759G719-R721 VanDerWaalsContact C-N 3.31Å; G719-R721 PolarHBondContact O-N 2.95Å; R721-A724 PolarHBondContact O-N 3.08Å; R721-L725 HydrophobicContact CG-CD1 3.83Å; R721-L725 HydrophobicContact CG-CG 4.46Å; R721-L725 WeakPolarHBondContact O-CG 3.49Å; R721-L725 PolarHBondContact O-N 3.35Å; R721-L756 HydrophobicContact CB-CD2 4.32Å; R721-L756 HydrophobicContact CG-CD2 4.19Å; R721-L756 PolarHBondContact NE-O 3.38Å; R721-L756 PolarHBondContact NH2-O 3.27Å; R721-Q757 PolarHBondContact NH2-O 3.28Å; R721-S759 PolarHBondContact NH1-O 3.44Å
722G94.1Very high94.5Very high49 Ų4941.1 Ų41.151%0.50525%0.254SS..Hα-helixtrans-59.6-54.3-17800000112.7A720 A724 L725 S726A720-G722 PolarHBondContact O-N 3.46Å; G722-A724 PolarHBondContact O-N 2.77Å; G722-L725 PolarHBondContact O-N 2.9Å; G722-S726 PolarHBondContact O-N 3.42Å
723P95.3Very high94.4Very high58 Ų5847.7 Ų47.738%0.37728%0.278SS..Hα-helixtrans-54.7-46.1174.1-30.837.8000113.7H715 A720 L725 S726 V727H715-P723 VanDerWaalsContact CE1-CB 3.49Å; H715-P723 WeakPolarHBondContact CE1-CB 3.42Å; A720-P723 HydrophobicContact CB-CB 4.4Å; A720-P723 HydrophobicContact CB-CG 4.15Å; A720-P723 WeakPolarHBondContact O-CD 3.37Å; P723-L725 PolarHBondContact O-N 3.33Å; P723-S726 PolarHBondContact O-N 2.89Å; P723-S726 PolarHBondContact O-OG 3.48Å; P723-V727 WeakPolarHBondContact O-CG2 3.49Å; P723-V727 PolarHBondContact O-N 3.33Å
724A94.7Very high94.4Very high0 Ų047.3 Ų47.30%028%0.277CS..Hα-helixtrans-57.1-51.917700000112.2H715 A720 R721 G722 S726 V727 I728 L756H715-A724 HydrophobicContact CB-CB 3.73Å; A720-A724 PolarHBondContact O-N 3.42Å; A720-A724 VanDerWaalsContact O-N 3.09Å; R721-A724 PolarHBondContact O-N 3.08Å; G722-A724 PolarHBondContact O-N 2.77Å; A724-S726 PolarHBondContact O-N 3.24Å; A724-V727 PolarHBondContact O-N 3.08Å; A724-V727 VanDerWaalsContact O-N 3.12Å; A724-I728 VanDerWaalsContact O-CG1 3.3Å; A724-I728 WeakPolarHBondContact O-CG1 3.35Å; A724-I728 PolarHBondContact O-N 3.08Å; A724-I728 VanDerWaalsContact O-N 3.14Å; A724-L756 HydrophobicContact CB-CD1 3.53Å
725L95.6Very high94.3Very high52 Ų5247.3 Ų47.327%0.27228%0.277SS..Hα-helixtrans-62.8-26179.5-70.5173.2000113R721 G722 P723 I728 P729 E753 L756 Q757R721-L725 HydrophobicContact CG-CD1 3.83Å; R721-L725 HydrophobicContact CG-CG 4.46Å; R721-L725 WeakPolarHBondContact O-CG 3.49Å; R721-L725 PolarHBondContact O-N 3.35Å; G722-L725 PolarHBondContact O-N 2.9Å; P723-L725 PolarHBondContact O-N 3.33Å; L725-I728 HydrophobicContact CD2-CD1 4.24Å; L725-P729 VanDerWaalsContact O-CD 3.23Å; L725-P729 WeakPolarHBondContact O-CD 3.28Å; L725-E753 HydrophobicContact CD2-CG 4.18Å; L725-L756 HydrophobicContact CD2-CB 3.94Å; L725-L756 HydrophobicContact CD2-CD1 4.26Å; L725-L756 HydrophobicContact CG-CB 4.28Å; L725-L756 HydrophobicContact CG-CD1 4.38Å; L725-Q757 HydrophobicContact CD2-CG 4.45Å
726S96.4Very high94.1Very high86 Ų8649 Ų4960%0.60129%0.29SS*.Hα-helixtrans-74.9-28.5176.977.40000113.5G722 P723 A724G722-S726 PolarHBondContact O-N 3.42Å; P723-S726 PolarHBondContact O-N 2.89Å; P723-S726 PolarHBondContact O-OG 3.48Å; A724-S726 PolarHBondContact O-N 3.24Å
727V96.7Very high94Very high20 Ų2046.9 Ų46.912%0.12128%0.282CS..Hα-helixtrans-90-34.1-176.9179.40000111.7L708 L711 V712 P723 A724 K730 V731L708-V727 HydrophobicContact CB-CG1 4.1Å; L708-V727 HydrophobicContact CD2-CG1 4.29Å; L711-V727 HydrophobicContact CD2-CG1 4.48Å; L711-V727 HydrophobicContact CD2-CG2 4.2Å; V712-V727 HydrophobicContact CG2-CB 3.89Å; V712-V727 HydrophobicContact CG2-CG1 3.68Å; P723-V727 WeakPolarHBondContact O-CG2 3.49Å; P723-V727 PolarHBondContact O-N 3.33Å; A724-V727 PolarHBondContact O-N 3.08Å; A724-V727 VanDerWaalsContact O-N 3.12Å; V727-K730 WeakPolarHBondContact O-CB 3.47Å; V727-K730 PolarHBondContact O-N 2.9Å; V727-V731 HydrophobicContact CG1-CG2 3.83Å; V727-V731 PolarHBondContact O-N 2.77Å; V727-V731 VanDerWaalsContact O-N 3.14Å
728I96.8Very high93.9Very high0 Ų044.3 Ų44.30%027%0.268CS..Hα-helixtrans-48.7-48.2-176.7-74.8164.6000113.9V712 A724 L725 K730 V731 R732 L749 E753 L756V712-I728 HydrophobicContact CG1-CD1 4.09Å; V712-I728 HydrophobicContact CG1-CG1 3.73Å; V712-I728 HydrophobicContact CG2-CG1 3.93Å; A724-I728 VanDerWaalsContact O-CG1 3.3Å; A724-I728 WeakPolarHBondContact O-CG1 3.35Å; A724-I728 PolarHBondContact O-N 3.08Å; A724-I728 VanDerWaalsContact O-N 3.14Å; L725-I728 HydrophobicContact CD2-CD1 4.24Å; I728-K730 VanDerWaalsContact C-N 3.27Å; I728-K730 PolarHBondContact O-N 3.13Å; I728-V731 PolarHBondContact O-N 3.03Å; I728-R732 WeakPolarHBondContact O-CB 3.46Å; I728-R732 PolarHBondContact O-N 3.03Å; I728-L749 HydrophobicContact CB-CD1 4.36Å; I728-L749 HydrophobicContact CG1-CD1 3.81Å; I728-L749 HydrophobicContact CG2-CD1 4.19Å; I728-L749 HydrophobicContact CG2-CD2 4.43Å; I728-L749 HydrophobicContact CG2-CG 4.19Å; I728-E753 HydrophobicContact CD1-CB 4.03Å; I728-E753 HydrophobicContact CD1-CG 4.17Å; I728-E753 HydrophobicContact CG2-CB 4.36Å; I728-E753 HydrophobicContact CG2-CG 4.23Å; I728-L756 HydrophobicContact CD1-CD1 3.9Å
729P96.5Very high93.6Very high70 Ų7043.2 Ų43.246%0.45525%0.254SS..Hα-helixtrans-60.9-36-179-25.334.9000113.3L725 R733L725-P729 VanDerWaalsContact O-CD 3.23Å; L725-P729 WeakPolarHBondContact O-CD 3.28Å; P729-R733 WeakPolarHBondContact O-CB 3.19Å; P729-R733 PolarHBondContact O-N 3.31Å
730K95.8Very high93.2Very high89 Ų8941.3 Ų41.339%0.38723%0.234SC..Hα-helixtrans-69.7-44.1177.8-173176.6176.4-173.60110.9L708 V727 I728 R733 I734L708-K730 HydrophobicContact CD1-CD 3.76Å; L708-K730 HydrophobicContact CD1-CG 4.03Å; V727-K730 WeakPolarHBondContact O-CB 3.47Å; V727-K730 PolarHBondContact O-N 2.9Å; I728-K730 VanDerWaalsContact C-N 3.27Å; I728-K730 PolarHBondContact O-N 3.13Å; K730-R733 PolarHBondContact O-N 3.28Å; K730-I734 HydrophobicContact CG-CD1 4.1Å; K730-I734 WeakPolarHBondContact O-CG1 3.39Å; K730-I734 PolarHBondContact O-N 3.05Å; K730-I734 VanDerWaalsContact O-N 3.12Å
731V96Very high92.6Very high0 Ų043.7 Ų43.70%025%0.247CC..Hα-helixtrans-59.8-49.4175.4179.80000110.3L708 F709 V712 V727 I728 R733 I734 L735 L749L708-V731 HydrophobicContact CB-CG2 3.49Å; L708-V731 VanDerWaalsContact CB-CG2 3.49Å; F709-V731 HydrophobicContact CB-CG1 3.93Å; F709-V731 HydrophobicContact CD2-CG1 4.18Å; V712-V731 HydrophobicContact CG2-CG2 4.05Å; V727-V731 HydrophobicContact CG1-CG2 3.83Å; V727-V731 PolarHBondContact O-N 2.77Å; V727-V731 VanDerWaalsContact O-N 3.14Å; I728-V731 PolarHBondContact O-N 3.03Å; V731-R733 VanDerWaalsContact C-N 3.33Å; V731-R733 PolarHBondContact O-N 3.34Å; V731-I734 PolarHBondContact O-N 3.21Å; V731-L735 HydrophobicContact CG1-CD1 3.62Å; V731-L735 HydrophobicContact CG1-CG 4Å; V731-L735 WeakPolarHBondContact O-CB 2.95Å; V731-L735 WeakPolarHBondContact O-CG 3.46Å; V731-L735 PolarHBondContact O-N 2.94Å; V731-L749 HydrophobicContact CB-CD1 4.4Å; V731-L749 HydrophobicContact CB-CD2 4.06Å; V731-L749 HydrophobicContact CG1-CD1 4.18Å; V731-L749 HydrophobicContact CG1-CD2 3.8Å
732R95Very high92Very high69 Ų6946.8 Ų46.826%0.2627%0.265SS..Hα-helixtrans-55.7-46.7178.3179.2178.5-69.2134.33.6111.8I728 S736 L746 L749 N750 E753I728-R732 WeakPolarHBondContact O-CB 3.46Å; I728-R732 PolarHBondContact O-N 3.03Å; R732-S736 VanDerWaalsContact O-CB 3.23Å; R732-S736 WeakPolarHBondContact O-CB 3.39Å; R732-S736 PolarHBondContact O-N 3.44Å; R732-S736 PolarHBondContact O-OG 3Å; R732-L746 HydrophobicContact CG-CD2 4.45Å; R732-L749 HydrophobicContact CB-CD2 3.92Å; R732-N750 PolarHBondContact NH2-OD1 2.94Å; R732-E753 IonicContact CZ-OE1 3.16Å; R732-E753 IonicContact CZ-OE2 3.83Å; R732-E753 IonicContact NH1-OE1 3.11Å; R732-E753 PolarHBondContact NH1-OE1 3.2Å; R732-E753 IonicContact NH1-OE2 3.85Å; R732-E753 PolarHBondContact NH1-OE2 3.11Å; R732-E753 IonicContact NH2-OE1 2.97Å; R732-E753 IonicContact NH2-OE2 2.62Å; R732-E753 PolarHBondContact NH2-OE2 3.03Å
733R93.9Very high91.3Very high138 Ų13845.3 Ų45.352%0.52125%0.247SC..Hα-helixtrans-58.6-49.9178.6-171.3-170.581-156.85.9111.5D700 P729 K730 V731 L737D700-R733 IonicContact OD1-CZ 2.87Å; D700-R733 IonicContact OD1-NE 3.08Å; D700-R733 IonicContact OD1-NH2 3.37Å; D700-R733 PolarHBondContact OD1-NH2 2.72Å; P729-R733 WeakPolarHBondContact O-CB 3.19Å; P729-R733 PolarHBondContact O-N 3.31Å; K730-R733 PolarHBondContact O-N 3.28Å; V731-R733 VanDerWaalsContact C-N 3.33Å; V731-R733 PolarHBondContact O-N 3.34Å; R733-L737 PolarHBondContact O-N 3.4Å
734I94.3Very high90.7Very high1 Ų147.1 Ų47.11%0.00526%0.258CS..Hα-helixtrans-68.1-45.9-177-63.9170.6000110.8K699 S701 L704 L708 K730 V731 S736 L737 H738K699-I734 WeakPolarHBondContact O-CD1 3.36Å; S701-I734 WeakPolarHBondContact O-CG2 3.42Å; L704-I734 HydrophobicContact CD2-CD1 4.26Å; L704-I734 HydrophobicContact CG-CD1 4.33Å; L708-I734 HydrophobicContact CD1-CD1 4.25Å; K730-I734 HydrophobicContact CG-CD1 4.1Å; K730-I734 WeakPolarHBondContact O-CG1 3.39Å; K730-I734 PolarHBondContact O-N 3.05Å; K730-I734 VanDerWaalsContact O-N 3.12Å; V731-I734 PolarHBondContact O-N 3.21Å; I734-S736 VanDerWaalsContact C-N 3.34Å; I734-S736 PolarHBondContact O-N 2.95Å; I734-L737 VanDerWaalsContact O-CB 3.23Å; I734-L737 WeakPolarHBondContact O-CB 3.39Å; I734-L737 PolarHBondContact O-N 3.19Å; I734-H738 PolarHBondContact O-CD2 3.02Å; I734-H738 VanDerWaalsContact O-CD2 3.29Å
735L91.7Very high90.3Very high2 Ų248.8 Ų48.81%0.0127%0.266CS..Hα-helixtrans-66.4-35.7179.2-66.8-175.7000111.9L702 V731 L737 H738 C739 E745 L746L702-L735 HydrophobicContact CD1-CD2 3.9Å; V731-L735 HydrophobicContact CG1-CD1 3.62Å; V731-L735 HydrophobicContact CG1-CG 4Å; V731-L735 WeakPolarHBondContact O-CB 2.95Å; V731-L735 WeakPolarHBondContact O-CG 3.46Å; V731-L735 PolarHBondContact O-N 2.94Å; L735-L737 PolarHBondContact O-N 3.32Å; L735-H738 PolarHBondContact O-N 3.49Å; L735-C739 WeakPolarHBondContact O-CA 3.43Å; L735-C739 VanDerWaalsContact O-CB 3.28Å; L735-C739 WeakPolarHBondContact O-CB 3.35Å; L735-C739 PolarHBondContact O-N 3.31Å; L735-E745 HydrophobicContact CD1-CB 3.85Å; L735-L746 HydrophobicContact CB-CD1 4.36Å; L735-L746 HydrophobicContact CB-CD2 3.76Å; L735-L746 HydrophobicContact CB-CG 3.94Å; L735-L746 HydrophobicContact CD1-CD2 4.28Å; L735-L746 HydrophobicContact CD1-CG 4.41Å
736S90.9Very high90Very high51 Ų5146.6 Ų46.636%0.35726%0.255SS..Hα-helixtrans-68.3-21176.8-55.40000113.3R732 I734R732-S736 VanDerWaalsContact O-CB 3.23Å; R732-S736 WeakPolarHBondContact O-CB 3.39Å; R732-S736 PolarHBondContact O-N 3.44Å; R732-S736 PolarHBondContact O-OG 3Å; I734-S736 VanDerWaalsContact C-N 3.34Å; I734-S736 PolarHBondContact O-N 2.95Å
737L90.9Very high89.7Confident18 Ų1847 Ų479%0.09425%0.247CC..Hα-helixtrans-69-38173.6-175.163000111.4A217 A521 T522 D700 R733 I734 L735A217-L737 HydrophobicContact CB-CD1 3.72Å; A521-L737 WeakPolarHBondContact O-CD1 3.45Å; T522-L737 WeakPolarHBondContact O-CD2 3.33Å; D700-L737 HydrophobicContact CB-CD2 4.11Å; R733-L737 PolarHBondContact O-N 3.4Å; I734-L737 VanDerWaalsContact O-CB 3.23Å; I734-L737 WeakPolarHBondContact O-CB 3.39Å; I734-L737 PolarHBondContact O-N 3.19Å; L735-L737 PolarHBondContact O-N 3.32Å
738H89.6Confident89.4Confident12 Ų1248.8 Ų48.86%0.05625%0.254CS..Hα-helixtrans-106-31.2-170.3-64-58.8000114.1S481 V483 R520 D700 L702 I734 L735S481-H738 WeakPolarHBondContact CB-ND1 3.44Å; S481-H738 PolarHBondContact OG-ND1 3.16Å; V483-H738 WeakPolarHBondContact CG2-O 3.35Å; R520-H738 WeakPolarHBondContact CD-O 3.5Å; D700-H738 PolarHBondContact O-NE2 3.42Å; L702-H738 HydrophobicContact CB-CB 4.4Å; L702-H738 HydrophobicContact CD1-CB 3.96Å; L702-H738 PolarHBondContact N-CD2 3.46Å; L702-H738 PolarHBondContact N-NE2 2.93Å; L702-H738 VanDerWaalsContact N-NE2 3.2Å; I734-H738 PolarHBondContact O-CD2 3.02Å; I734-H738 VanDerWaalsContact O-CD2 3.29Å; L735-H738 PolarHBondContact O-N 3.49Å
739C85.8Confident89.2Confident11 Ų1148.8 Ų48.87%0.07425%0.254CS..SBendtrans-115.7155.3-171.8-57.80000111.1R520 L735 C743R520-C739 PolarHBondContact NH1-O 3.26Å; L735-C739 WeakPolarHBondContact O-CA 3.43Å; L735-C739 VanDerWaalsContact O-CB 3.28Å; L735-C739 WeakPolarHBondContact O-CB 3.35Å; L735-C739 PolarHBondContact O-N 3.31Å; C739-C743 HydrophobicContact CB-CB 3.83Å; C739-C743 WeakPolarHBondContact CB-SG 3.49Å
740G81.5Confident89.1Confident23 Ų2348 Ų4824%0.23725%0.246CC..  trans-73.9160.417100000112.8R520 H742 C743 L746R520-G740 VanDerWaalsContact NH2-CA 3.3Å; G740-H742 PolarHBondContact O-N 3.36Å; G740-C743 WeakPolarHBondContact O-CB 3.38Å; G740-C743 PolarHBondContact O-N 3.36Å; G740-L746 WeakPolarHBondContact O-CD1 3.5Å
741P79.8Confident88.9Confident82 Ų8246.3 Ų46.353%0.53225%0.249SC..THydrogen-bonded Turntrans-61.1-21.9-177.225.7-35.3000113.6Q747P741-Q747 PolarHBondContact O-NE2 3.1Å
742H79.8Confident88.7Confident151 Ų15147.1 Ų47.170%0.69925%0.253SS*.THydrogen-bonded Turntrans-93.78.1178.7-57.7-58.9000113.8G740G740-H742 PolarHBondContact O-N 3.36Å
743C81.4Confident88.7Confident18 Ų1845.3 Ų45.312%0.12225%0.248CC..SBendtrans-66144.9176.7870000110.6C739 G740 E745 L746 Q747C739-C743 HydrophobicContact CB-CB 3.83Å; C739-C743 WeakPolarHBondContact CB-SG 3.49Å; G740-C743 WeakPolarHBondContact O-CB 3.38Å; G740-C743 PolarHBondContact O-N 3.36Å; C743-E745 VanDerWaalsContact C-N 3.26Å; C743-E745 PolarHBondContact O-N 2.96Å; C743-E745 PolarHBondContact SG-OE2 3.2Å; C743-E745 VanDerWaalsContact SG-OE2 3.37Å; C743-L746 PolarHBondContact O-N 3.43Å; C743-L746 VanDerWaalsContact O-N 3.15Å; C743-L746 PolarHBondContact SG-N 3.48Å; C743-Q747 WeakPolarHBondContact O-CG 3.41Å; C743-Q747 PolarHBondContact O-N 3.01Å; C743-Q747 VanDerWaalsContact O-N 3.08Å
744P81.6Confident88.6Confident96 Ų9643.1 Ų43.162%0.62324%0.243SC*.Hα-helixtrans-53.3-41.2-175.6-27.835.7000113.6L746 Q747 E748P744-L746 PolarHBondContact O-N 3.17Å; P744-Q747 PolarHBondContact O-N 3.36Å; P744-E748 WeakPolarHBondContact O-CB 3.37Å; P744-E748 PolarHBondContact O-N 2.75Å
745E86.3Confident88.5Confident35 Ų3546.2 Ų46.216%0.16426%0.264CS..Hα-helixtrans-65.4-39.9-178-58.185168.500111.9L443 F709 L735 C743 L749L443-E745 VanDerWaalsContact CD1-OE1 3.28Å; L443-E745 WeakPolarHBondContact CD1-OE1 3.3Å; F709-E745 HydrophobicContact CE1-CB 4.46Å; F709-E745 HydrophobicContact CE1-CG 4.43Å; F709-E745 WeakPolarHBondContact CE2-O 3.49Å; F709-E745 HydrophobicContact CZ-CB 4.39Å; L735-E745 HydrophobicContact CD1-CB 3.85Å; C743-E745 VanDerWaalsContact C-N 3.26Å; C743-E745 PolarHBondContact O-N 2.96Å; C743-E745 PolarHBondContact SG-OE2 3.2Å; C743-E745 VanDerWaalsContact SG-OE2 3.37Å; E745-L749 WeakPolarHBondContact O-CB 3.47Å; E745-L749 PolarHBondContact O-N 3.07Å
746L89.6Confident88.5Confident6 Ų646.6 Ų46.63%0.03127%0.266CS..Hα-helixtrans-71.2-36.3175.9-79.3174.1000111.8R732 L735 G740 C743 P744 L749 N750R732-L746 HydrophobicContact CG-CD2 4.45Å; L735-L746 HydrophobicContact CB-CD1 4.36Å; L735-L746 HydrophobicContact CB-CD2 3.76Å; L735-L746 HydrophobicContact CB-CG 3.94Å; L735-L746 HydrophobicContact CD1-CD2 4.28Å; L735-L746 HydrophobicContact CD1-CG 4.41Å; G740-L746 WeakPolarHBondContact O-CD1 3.5Å; C743-L746 PolarHBondContact O-N 3.43Å; C743-L746 VanDerWaalsContact O-N 3.15Å; C743-L746 PolarHBondContact SG-N 3.48Å; P744-L746 PolarHBondContact O-N 3.17Å; L746-L749 HydrophobicContact CD2-CD2 4.29Å; L746-N750 WeakPolarHBondContact O-CB 3.34Å; L746-N750 PolarHBondContact O-N 3.14Å; L746-N750 PolarHBondContact O-ND2 3.05Å; L746-N750 VanDerWaalsContact O-ND2 3.15Å
747Q90Very high88.3Confident95 Ų9549.2 Ų49.244%0.44427%0.273SS..Hα-helixtrans-65.5-45.9175.2-65.3-64.7-53.400111.2P741 C743 P744 N750 A751P741-Q747 PolarHBondContact O-NE2 3.1Å; C743-Q747 WeakPolarHBondContact O-CG 3.41Å; C743-Q747 PolarHBondContact O-N 3.01Å; C743-Q747 VanDerWaalsContact O-N 3.08Å; P744-Q747 PolarHBondContact O-N 3.36Å; Q747-N750 PolarHBondContact O-N 3.05Å; Q747-A751 PolarHBondContact O-N 3.26Å
748E90.5Very high87.9Confident57 Ų5756.8 Ų56.827%0.26630%0.3SS..Hα-helixtrans-63.2-45.1174.8-172.5-178.915400111Q454 F709 Q713 P744 N750 A751 L752Q454-E748 PolarHBondContact NE2-OE2 3.03Å; F709-E748 HydrophobicContact CE2-CB 4.46Å; F709-E748 HydrophobicContact CZ-CB 3.98Å; F709-E748 HydrophobicContact CZ-CG 3.97Å; Q713-E748 PolarHBondContact NE2-OE1 3.22Å; P744-E748 WeakPolarHBondContact O-CB 3.37Å; P744-E748 PolarHBondContact O-N 2.75Å; E748-N750 VanDerWaalsContact C-N 3.28Å; E748-N750 PolarHBondContact O-N 3.13Å; E748-A751 PolarHBondContact O-N 2.79Å; E748-A751 VanDerWaalsContact O-N 3.12Å; E748-L752 HydrophobicContact CG-CD1 4.18Å; E748-L752 HydrophobicContact CG-CG 4.33Å; E748-L752 VanDerWaalsContact O-CG 3.3Å; E748-L752 WeakPolarHBondContact O-CG 3.34Å; E748-L752 PolarHBondContact O-N 3.09Å
749L93.3Very high86.4Confident0 Ų059.2 Ų59.20%032%0.319CS..Hα-helixtrans-56.4-42176.7-172.968.9000112.1F709 V712 I728 V731 R732 E745 L746 L752 E753F709-L749 HydrophobicContact CD2-CB 4.42Å; F709-L749 HydrophobicContact CD2-CD1 4.08Å; F709-L749 HydrophobicContact CE2-CB 4.02Å; F709-L749 HydrophobicContact CE2-CD1 4.26Å; V712-L749 HydrophobicContact CG1-CD1 4.11Å; V712-L749 HydrophobicContact CG2-CD1 4.41Å; I728-L749 HydrophobicContact CB-CD1 4.36Å; I728-L749 HydrophobicContact CG1-CD1 3.81Å; I728-L749 HydrophobicContact CG2-CD1 4.19Å; I728-L749 HydrophobicContact CG2-CD2 4.43Å; I728-L749 HydrophobicContact CG2-CG 4.19Å; V731-L749 HydrophobicContact CB-CD1 4.4Å; V731-L749 HydrophobicContact CB-CD2 4.06Å; V731-L749 HydrophobicContact CG1-CD1 4.18Å; V731-L749 HydrophobicContact CG1-CD2 3.8Å; R732-L749 HydrophobicContact CB-CD2 3.92Å; E745-L749 WeakPolarHBondContact O-CB 3.47Å; E745-L749 PolarHBondContact O-N 3.07Å; L746-L749 HydrophobicContact CD2-CD2 4.29Å; L749-L752 PolarHBondContact O-N 3.22Å; L749-E753 WeakPolarHBondContact O-CB 3.42Å; L749-E753 PolarHBondContact O-N 3.26Å
750N92.8Very high84.7Confident54 Ų5463.7 Ų63.729%0.28935%0.346SS..Hα-helixtrans-66.8-43.1176.9-68.7-23.8000111.5R732 L746 Q747 E748 L752 E753 E754R732-N750 PolarHBondContact NH2-OD1 2.94Å; L746-N750 WeakPolarHBondContact O-CB 3.34Å; L746-N750 PolarHBondContact O-N 3.14Å; L746-N750 PolarHBondContact O-ND2 3.05Å; L746-N750 VanDerWaalsContact O-ND2 3.15Å; Q747-N750 PolarHBondContact O-N 3.05Å; E748-N750 VanDerWaalsContact C-N 3.28Å; E748-N750 PolarHBondContact O-N 3.13Å; N750-L752 VanDerWaalsContact C-N 3.35Å; N750-L752 PolarHBondContact O-N 3.21Å; N750-E753 PolarHBondContact O-N 3.32Å; N750-E754 WeakPolarHBondContact O-CG 3.47Å; N750-E754 PolarHBondContact O-N 3.02Å
751A92.4Very high82.5Confident53 Ų5375.9 Ų75.944%0.43839%0.393SS..Hα-helixtrans-62.7-40.1176.200000112.5Q747 E748 C755Q747-A751 PolarHBondContact O-N 3.26Å; E748-A751 PolarHBondContact O-N 2.79Å; E748-A751 VanDerWaalsContact O-N 3.12Å; A751-C755 PolarHBondContact O-N 3.22Å; A751-C755 VanDerWaalsContact O-N 3.1Å; A751-C755 PolarHBondContact O-SG 3.46Å
752L92.4Very high82.7Confident18 Ų1875.6 Ų75.69%0.09439%0.386CS..Hα-helixtrans-63.4-46174.3-68.1173.6000111.1V712 Q713 F716 E748 L749 N750 C755 L756V712-L752 HydrophobicContact CG1-CD1 4.23Å; Q713-L752 HydrophobicContact CG-CD1 4.3Å; F716-L752 HydrophobicContact CB-CD2 4.38Å; F716-L752 HydrophobicContact CD1-CD2 3.67Å; F716-L752 HydrophobicContact CD2-CB 4.27Å; F716-L752 HydrophobicContact CD2-CD2 3.7Å; F716-L752 HydrophobicContact CE1-CD2 3.76Å; F716-L752 HydrophobicContact CE2-CB 4.45Å; F716-L752 HydrophobicContact CE2-CD2 3.8Å; F716-L752 HydrophobicContact CG-CD2 3.65Å; F716-L752 HydrophobicContact CZ-CD2 3.83Å; E748-L752 HydrophobicContact CG-CD1 4.18Å; E748-L752 HydrophobicContact CG-CG 4.33Å; E748-L752 VanDerWaalsContact O-CG 3.3Å; E748-L752 WeakPolarHBondContact O-CG 3.34Å; E748-L752 PolarHBondContact O-N 3.09Å; L749-L752 PolarHBondContact O-N 3.22Å; N750-L752 VanDerWaalsContact C-N 3.35Å; N750-L752 PolarHBondContact O-N 3.21Å; L752-C755 PolarHBondContact O-N 2.89Å; L752-L756 VanDerWaalsContact O-CG 3.29Å; L752-L756 WeakPolarHBondContact O-CG 3.43Å; L752-L756 PolarHBondContact O-N 2.96Å
753E93.9Very high82.8Confident31 Ų3171.6 Ų71.615%0.14537%0.369CS..Hα-helixtrans-62.1-45.5178.3-167.5-177-13600111.7L725 I728 R732 L749 N750 C755 L756 Q757L725-E753 HydrophobicContact CD2-CG 4.18Å; I728-E753 HydrophobicContact CD1-CB 4.03Å; I728-E753 HydrophobicContact CD1-CG 4.17Å; I728-E753 HydrophobicContact CG2-CB 4.36Å; I728-E753 HydrophobicContact CG2-CG 4.23Å; R732-E753 IonicContact CZ-OE1 3.16Å; R732-E753 IonicContact CZ-OE2 3.83Å; R732-E753 IonicContact NH1-OE1 3.11Å; R732-E753 PolarHBondContact NH1-OE1 3.2Å; R732-E753 IonicContact NH1-OE2 3.85Å; R732-E753 PolarHBondContact NH1-OE2 3.11Å; R732-E753 IonicContact NH2-OE1 2.97Å; R732-E753 IonicContact NH2-OE2 2.62Å; R732-E753 PolarHBondContact NH2-OE2 3.03Å; L749-E753 WeakPolarHBondContact O-CB 3.42Å; L749-E753 PolarHBondContact O-N 3.26Å; N750-E753 PolarHBondContact O-N 3.32Å; E753-C755 VanDerWaalsContact C-N 3.32Å; E753-C755 PolarHBondContact O-N 3.43Å; E753-L756 CarbonylContact O-C 3.58Å; E753-L756 PolarHBondContact O-N 3.07Å; E753-L756 VanDerWaalsContact O-N 3.16Å; E753-Q757 HydrophobicContact CG-CG 4.32Å; E753-Q757 WeakPolarHBondContact O-CB 3.11Å; E753-Q757 VanDerWaalsContact O-CG 3.31Å; E753-Q757 WeakPolarHBondContact O-CG 3.21Å; E753-Q757 PolarHBondContact O-N 3.08Å
754E92.9Very high82.9Confident91 Ų9174.6 Ų74.643%0.42538%0.383SS..Hα-helixtrans-58.7-43.9176.7-76.6-171.3-159.300111.9N750 L756 Q757 R758N750-E754 WeakPolarHBondContact O-CG 3.47Å; N750-E754 PolarHBondContact O-N 3.02Å; E754-L756 VanDerWaalsContact C-N 3.34Å; E754-L756 PolarHBondContact O-N 3.03Å; E754-Q757 PolarHBondContact O-N 3.25Å; E754-R758 WeakPolarHBondContact O-CB 3.33Å; E754-R758 VanDerWaalsContact O-CG 3.22Å; E754-R758 WeakPolarHBondContact O-CG 3.49Å; E754-R758 PolarHBondContact O-N 2.9Å; E754-R758 IonicContact OE2-CZ 3.2Å; E754-R758 IonicContact OE2-NE 2.63Å; E754-R758 IonicContact OE2-NH2 3.93Å; E754-R758 PolarHBondContact OE2-NH2 3.25Å
755C92.3Very high83Confident67 Ų6773.3 Ų73.345%0.45337%0.369SS..Hα-helixtrans-60.1-43.7175.4-74.30000112.1F716 A751 L752 E753 Q757 S759F716-C755 HydrophobicContact CE2-CB 3.75Å; F716-C755 HydrophobicContact CZ-CB 3.97Å; A751-C755 PolarHBondContact O-N 3.22Å; A751-C755 VanDerWaalsContact O-N 3.1Å; A751-C755 PolarHBondContact O-SG 3.46Å; L752-C755 PolarHBondContact O-N 2.89Å; E753-C755 VanDerWaalsContact C-N 3.32Å; E753-C755 PolarHBondContact O-N 3.43Å; C755-Q757 VanDerWaalsContact C-N 3.32Å; C755-Q757 PolarHBondContact O-N 3.12Å; C755-S759 PolarHBondContact O-N 2.93Å; C755-S759 PolarHBondContact O-OG 2.8Å
756L91.1Very high82.8Confident10 Ų1075.7 Ų75.75%0.05238%0.382CS..Hα-helixtrans-70.4-26177.8-68.7171.3000112.9F716 R721 A724 L725 I728 L752 E753 E754 S759F716-L756 HydrophobicContact CD2-CD1 3.93Å; F716-L756 HydrophobicContact CD2-CD2 3.66Å; F716-L756 HydrophobicContact CD2-CG 3.62Å; F716-L756 HydrophobicContact CE2-CD2 4.01Å; F716-L756 HydrophobicContact CE2-CG 3.88Å; R721-L756 HydrophobicContact CB-CD2 4.32Å; R721-L756 HydrophobicContact CG-CD2 4.19Å; R721-L756 PolarHBondContact NE-O 3.38Å; R721-L756 PolarHBondContact NH2-O 3.27Å; A724-L756 HydrophobicContact CB-CD1 3.53Å; L725-L756 HydrophobicContact CD2-CB 3.94Å; L725-L756 HydrophobicContact CD2-CD1 4.26Å; L725-L756 HydrophobicContact CG-CB 4.28Å; L725-L756 HydrophobicContact CG-CD1 4.38Å; I728-L756 HydrophobicContact CD1-CD1 3.9Å; L752-L756 VanDerWaalsContact O-CG 3.29Å; L752-L756 WeakPolarHBondContact O-CG 3.43Å; L752-L756 PolarHBondContact O-N 2.96Å; E753-L756 CarbonylContact O-C 3.58Å; E753-L756 PolarHBondContact O-N 3.07Å; E753-L756 VanDerWaalsContact O-N 3.16Å; E754-L756 VanDerWaalsContact C-N 3.34Å; E754-L756 PolarHBondContact O-N 3.03Å; L756-S759 PolarHBondContact O-OG 2.68Å
757Q86.9Confident82.3Confident106 Ų10680.3 Ų80.350%0.49541%0.405SS..Hα-helixtrans-81.3-38.8177.3-73.8177.61.400111.7R721 L725 E753 E754 C755 S759R721-Q757 PolarHBondContact NH2-O 3.28Å; L725-Q757 HydrophobicContact CD2-CG 4.45Å; E753-Q757 HydrophobicContact CG-CG 4.32Å; E753-Q757 WeakPolarHBondContact O-CB 3.11Å; E753-Q757 VanDerWaalsContact O-CG 3.31Å; E753-Q757 WeakPolarHBondContact O-CG 3.21Å; E753-Q757 PolarHBondContact O-N 3.08Å; E754-Q757 PolarHBondContact O-N 3.25Å; C755-Q757 VanDerWaalsContact C-N 3.32Å; C755-Q757 PolarHBondContact O-N 3.12Å; Q757-S759 VanDerWaalsContact C-N 3.28Å; Q757-S759 PolarHBondContact O-N 3.17Å
758R81.2Confident81.8Confident177 Ų17779.3 Ų79.367%0.66840%0.402SS*.Hα-helixtrans-70.9-16.3-178.8-69.7173.5-168.7-161.98114.4E754 T760E754-R758 WeakPolarHBondContact O-CB 3.33Å; E754-R758 VanDerWaalsContact O-CG 3.22Å; E754-R758 WeakPolarHBondContact O-CG 3.49Å; E754-R758 PolarHBondContact O-N 2.9Å; E754-R758 IonicContact OE2-CZ 3.2Å; E754-R758 IonicContact OE2-NE 2.63Å; E754-R758 IonicContact OE2-NH2 3.93Å; E754-R758 PolarHBondContact OE2-NH2 3.25Å; R758-T760 PolarHBondContact O-N 3.16Å
759S58Low81.1Confident63 Ų6381 Ų8144%0.44141%0.413SS..  trans-81.158.1-178.724.40000112.8R721 C755 L756 Q757R721-S759 PolarHBondContact NH1-O 3.44Å; C755-S759 PolarHBondContact O-N 2.93Å; C755-S759 PolarHBondContact O-OG 2.8Å; L756-S759 PolarHBondContact O-OG 2.68Å; Q757-S759 VanDerWaalsContact C-N 3.28Å; Q757-S759 PolarHBondContact O-N 3.17Å
760T50.4Low80.1Confident105 Ų10587.8 Ų87.864%0.64445%0.447SS*.  trans-113.985.4151.943.40000107.9R758R758-T760 PolarHBondContact O-N 3.16Å
761F36.6Very low78.9Confident278 Ų27890.8 Ų90.8100%1.21946%0.461SS*.  trans-134.80155.3-90.1-75.7000108

Retrieved 761 of 761 residues in 2064.6 ms (Link to these results)

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