A0A077ZBS7_TRITR Loading...

PC rep domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBS7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M71.3Confident75.8Confident105 Ų10564.7 Ų64.752%0.51738%0.384SS..  0-490-61.7-51.8-80.300113.1Y3 C4 A170 I171 L174M1-Y3 PolarHBondContact O-N 2.78Å; M1-C4 WeakPolarHBondContact O-CB 3.37Å; M1-C4 PolarHBondContact O-N 3.48Å; M1-A170 HydrophobicContact CE-CB 3.57Å; M1-I171 HydrophobicContact CE-CG1 4.27Å; M1-L174 HydrophobicContact CG-CD2 3.94Å; M1-L174 HydrophobicContact SD-CD2 3.96Å
2A74.8Confident75.7Confident99 Ų9959.8 Ų59.882%0.81835%0.354SS*.THydrogen-bonded Turntrans-52.7-31.4-179.500000114.9
3Y75.6Confident75.6Confident123 Ų12362 Ų6248%0.48236%0.364SS..THydrogen-bonded Turntrans-106.916-179-63.2-72.3000114M1 G5 S6 V11M1-Y3 PolarHBondContact O-N 2.78Å; Y3-G5 PolarHBondContact O-N 3.36Å; Y3-S6 WeakPolarHBondContact CB-OG 3.37Å; Y3-S6 WeakPolarHBondContact O-CB 3.39Å; Y3-S6 PolarHBondContact O-N 3.41Å; Y3-S6 PolarHBondContact O-OG 3.09Å; Y3-V11 HydrophobicContact CD1-CG2 3.92Å; Y3-V11 HydrophobicContact CD2-CG1 3.94Å; Y3-V11 HydrophobicContact CD2-CG2 4.17Å; Y3-V11 HydrophobicContact CE1-CG2 3.74Å; Y3-V11 HydrophobicContact CE2-CG1 4.3Å; Y3-V11 HydrophobicContact CE2-CG2 3.99Å; Y3-V11 HydrophobicContact CG-CG1 4.21Å; Y3-V11 HydrophobicContact CG-CG2 4.13Å
4C74Confident75.8Confident27 Ų2765.1 Ų65.118%0.18237%0.373CS..THydrogen-bonded Turntrans-59.4124.2-177.3-169.80000110.6M1 S6 F34M1-C4 WeakPolarHBondContact O-CB 3.37Å; M1-C4 PolarHBondContact O-N 3.48Å; C4-S6 PolarHBondContact O-N 2.92Å; C4-F34 WeakPolarHBondContact CA-O 3.26Å; C4-F34 PolarHBondContact SG-O 3.37Å; C4-F34 VanDerWaalsContact SG-O 3.35Å
5G73.9Confident75.7Confident12 Ų1262.7 Ų62.712%0.12436%0.358CS..THydrogen-bonded Turntrans69.62.2-177.800000116.1Y3 F34Y3-G5 PolarHBondContact O-N 3.36Å; G5-F34 PolarHBondContact N-O 3.08Å
6S77Confident75.3Confident61 Ų6161.7 Ų61.743%0.42735%0.351SS..THydrogen-bonded Turntrans-72-28.7-178.1690000113.5Y3 C4 N8Y3-S6 WeakPolarHBondContact CB-OG 3.37Å; Y3-S6 WeakPolarHBondContact O-CB 3.39Å; Y3-S6 PolarHBondContact O-N 3.41Å; Y3-S6 PolarHBondContact O-OG 3.09Å; C4-S6 PolarHBondContact O-N 2.92Å; S6-N8 PolarHBondContact O-N 2.99Å
7G72.6Confident75.1Confident17 Ų1766.3 Ų66.318%0.17537%0.369CS..  trans56.230.8-176.100000113.9T9G7-T9 PolarHBondContact O-N 3.18Å
8N78.1Confident74.9Confident56 Ų5666.8 Ų66.830%0.29937%0.37SS..  trans-74.7105.1-176.1-174.3-12.3000111.2S6 I10 V11 T12S6-N8 PolarHBondContact O-N 2.99Å; N8-I10 PolarHBondContact O-N 3.43Å; N8-I10 WeakPolarHBondContact OD1-CB 3.34Å; N8-I10 PolarHBondContact OD1-N 2.98Å; N8-V11 HydrophobicContact CB-CB 4.33Å; N8-V11 HydrophobicContact CB-CG2 4.13Å; N8-V11 PolarHBondContact O-N 3.32Å; N8-T12 PolarHBondContact O-N 3.34Å; N8-T12 PolarHBondContact O-OG1 2.88Å
9T76.1Confident74.3Confident93 Ų9363.9 Ų63.957%0.57136%0.355SS*.Hα-helixtrans-58.3-25.7-178.655.20000114.1G7 N13G7-T9 PolarHBondContact O-N 3.18Å; T9-N13 WeakPolarHBondContact O-CB 3.42Å; T9-N13 VanDerWaalsContact O-CG 3.24Å; T9-N13 PolarHBondContact O-N 3.4Å; T9-N13 PolarHBondContact O-ND2 3.36Å
10I81.3Confident73.8Confident105 Ų10565.9 Ų65.954%0.53837%0.368SS..Hα-helixtrans-66.5-48.7176.3-59.3172.7000109.7N8 T12 N13 Q14N8-I10 PolarHBondContact O-N 3.43Å; N8-I10 WeakPolarHBondContact OD1-CB 3.34Å; N8-I10 PolarHBondContact OD1-N 2.98Å; I10-T12 VanDerWaalsContact C-N 3.32Å; I10-N13 PolarHBondContact O-N 2.97Å; I10-Q14 WeakPolarHBondContact O-CG 3.32Å; I10-Q14 PolarHBondContact O-N 3.06Å
11V79.5Confident73.6Confident14 Ų1466.6 Ų66.69%0.08538%0.378CS..Hα-helixtrans-64.9-42.8178.8177.70000109.3Y3 N8 N13 Q14 L15Y3-V11 HydrophobicContact CD1-CG2 3.92Å; Y3-V11 HydrophobicContact CD2-CG1 3.94Å; Y3-V11 HydrophobicContact CD2-CG2 4.17Å; Y3-V11 HydrophobicContact CE1-CG2 3.74Å; Y3-V11 HydrophobicContact CE2-CG1 4.3Å; Y3-V11 HydrophobicContact CE2-CG2 3.99Å; Y3-V11 HydrophobicContact CG-CG1 4.21Å; Y3-V11 HydrophobicContact CG-CG2 4.13Å; N8-V11 HydrophobicContact CB-CB 4.33Å; N8-V11 HydrophobicContact CB-CG2 4.13Å; N8-V11 PolarHBondContact O-N 3.32Å; V11-N13 PolarHBondContact O-N 3.19Å; V11-Q14 PolarHBondContact O-N 2.77Å; V11-L15 HydrophobicContact CG1-CD1 3.81Å; V11-L15 HydrophobicContact CG1-CG 4.19Å; V11-L15 WeakPolarHBondContact O-CB 3.11Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.23Å
12T73.8Confident73.2Confident5 Ų565.1 Ų65.13%0.03137%0.372CS..Hα-helixtrans-56.6-48.6174.7-51.60000112.2N8 I10 L15 L16 Y32 E35 F36 L46N8-T12 PolarHBondContact O-N 3.34Å; N8-T12 PolarHBondContact O-OG1 2.88Å; I10-T12 VanDerWaalsContact C-N 3.32Å; T12-L15 PolarHBondContact O-N 2.93Å; T12-L16 HydrophobicContact CG2-CD1 4.03Å; T12-L16 HydrophobicContact CG2-CG 4.34Å; T12-L16 WeakPolarHBondContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CG 3.31Å; T12-L16 PolarHBondContact O-N 3.48Å; T12-Y32 HydrophobicContact CG2-CE1 4.48Å; T12-E35 PolarHBondContact N-OE1 2.98Å; T12-E35 VanDerWaalsContact OG1-CD 3.29Å; T12-E35 PolarHBondContact OG1-OE1 3.44Å; T12-F36 HydrophobicContact CG2-CE2 3.53Å; T12-F36 HydrophobicContact CG2-CZ 3.54Å; T12-F36 WeakPolarHBondContact OG1-CE2 3.38Å; T12-F36 WeakPolarHBondContact OG1-CZ 3.48Å; T12-L46 HydrophobicContact CG2-CD1 3.92Å
13N74.8Confident72.6Confident89 Ų8964 Ų6448%0.47637%0.37SS..Hα-helixtrans-66-41.2-178.2-75.3-21.6000111.5T9 I10 V11 L15 L16 E17T9-N13 WeakPolarHBondContact O-CB 3.42Å; T9-N13 VanDerWaalsContact O-CG 3.24Å; T9-N13 PolarHBondContact O-N 3.4Å; T9-N13 PolarHBondContact O-ND2 3.36Å; I10-N13 PolarHBondContact O-N 2.97Å; V11-N13 PolarHBondContact O-N 3.19Å; N13-L15 VanDerWaalsContact C-N 3.33Å; N13-L15 PolarHBondContact O-N 3.42Å; N13-L16 WeakPolarHBondContact O-CB 3.34Å; N13-L16 PolarHBondContact O-N 3.25Å; N13-E17 WeakPolarHBondContact O-CG 3.5Å; N13-E17 PolarHBondContact O-N 2.8Å
14Q78.1Confident72Confident106 Ų10664.5 Ų64.550%0.49538%0.377SS..Hα-helixtrans-61-44173.1-72.5177.1-16.700111.2I10 V11 L16 E17 I18I10-Q14 WeakPolarHBondContact O-CG 3.32Å; I10-Q14 PolarHBondContact O-N 3.06Å; V11-Q14 PolarHBondContact O-N 2.77Å; Q14-L16 VanDerWaalsContact C-N 3.3Å; Q14-L16 PolarHBondContact O-N 3.44Å; Q14-E17 PolarHBondContact O-N 3.5Å; Q14-I18 WeakPolarHBondContact O-CB 3.47Å; Q14-I18 VanDerWaalsContact O-CD1 3.31Å; Q14-I18 WeakPolarHBondContact O-CD1 3.44Å; Q14-I18 WeakPolarHBondContact O-CG1 3.38Å; Q14-I18 PolarHBondContact O-N 3.39Å
15L74Confident71.8Confident29 Ų2967.9 Ų67.915%0.15239%0.386CS..Hα-helixtrans-63.1-38175.7-72.8172.7000111.6V11 T12 N13 I18 S19 I31 Y32 E35V11-L15 HydrophobicContact CG1-CD1 3.81Å; V11-L15 HydrophobicContact CG1-CG 4.19Å; V11-L15 WeakPolarHBondContact O-CB 3.11Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.23Å; T12-L15 PolarHBondContact O-N 2.93Å; N13-L15 VanDerWaalsContact C-N 3.33Å; N13-L15 PolarHBondContact O-N 3.42Å; L15-I18 PolarHBondContact O-N 3.42Å; L15-S19 VanDerWaalsContact O-CB 3.24Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.13Å; L15-I31 HydrophobicContact CD1-CG2 3.65Å; L15-I31 HydrophobicContact CD2-CD1 4.49Å; L15-I31 HydrophobicContact CD2-CG2 4.35Å; L15-Y32 HydrophobicContact CB-CE1 3.58Å; L15-Y32 HydrophobicContact CD1-CD1 4.49Å; L15-Y32 HydrophobicContact CD1-CE1 4.25Å; L15-Y32 PolarHBondContact O-OH 2.65Å; L15-E35 WeakPolarHBondContact CD1-OE2 3.37Å
16L70.7Confident71.5Confident46 Ų4670.2 Ų70.224%0.24139%0.391CS..Hα-helixtrans-64.9-47.8176.6-77.7171.2000111.3T12 N13 Q14 I18 S19 V20 Y32 L46 M50T12-L16 HydrophobicContact CG2-CD1 4.03Å; T12-L16 HydrophobicContact CG2-CG 4.34Å; T12-L16 WeakPolarHBondContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CG 3.31Å; T12-L16 PolarHBondContact O-N 3.48Å; N13-L16 WeakPolarHBondContact O-CB 3.34Å; N13-L16 PolarHBondContact O-N 3.25Å; Q14-L16 VanDerWaalsContact C-N 3.3Å; Q14-L16 PolarHBondContact O-N 3.44Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.19Å; L16-S19 WeakPolarHBondContact CA-OG 3.18Å; L16-S19 WeakPolarHBondContact O-CB 3.07Å; L16-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-OG 3.09Å; L16-V20 PolarHBondContact O-N 2.98Å; L16-V20 VanDerWaalsContact O-N 3.13Å; L16-Y32 WeakPolarHBondContact CA-OH 3.41Å; L16-Y32 HydrophobicContact CD2-CE1 4.39Å; L16-Y32 WeakPolarHBondContact CD2-OH 3.49Å; L16-Y32 HydrophobicContact CG-CE1 4.32Å; L16-Y32 PolarHBondContact N-OH 3.13Å; L16-Y32 VanDerWaalsContact N-OH 3.09Å; L16-L46 HydrophobicContact CD1-CD2 4.09Å; L16-M50 HydrophobicContact CD2-CE 4.29Å
17E71.8Confident71.1Confident140 Ų14068.6 Ų68.665%0.65438%0.381SS*.Hα-helixtrans-57.6-48.5176.3-74.1173.2-17400110.9N13 Q14 S19 V20 S21N13-E17 WeakPolarHBondContact O-CG 3.5Å; N13-E17 PolarHBondContact O-N 2.8Å; Q14-E17 PolarHBondContact O-N 3.5Å; E17-S19 VanDerWaalsContact C-N 3.26Å; E17-S19 PolarHBondContact O-N 3.43Å; E17-V20 PolarHBondContact O-N 3.27Å; E17-S21 PolarHBondContact O-N 3.27Å
18I70.7Confident70.9Confident75 Ų7568.7 Ų68.739%0.38538%0.377SS..Hα-helixtrans-66.3-31.4177.5-60.4164.1000110.3Q14 L15 L16 V20 S21 D22 K28Q14-I18 WeakPolarHBondContact O-CB 3.47Å; Q14-I18 VanDerWaalsContact O-CD1 3.31Å; Q14-I18 WeakPolarHBondContact O-CD1 3.44Å; Q14-I18 WeakPolarHBondContact O-CG1 3.38Å; Q14-I18 PolarHBondContact O-N 3.39Å; L15-I18 PolarHBondContact O-N 3.42Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.19Å; I18-V20 VanDerWaalsContact C-N 3.29Å; I18-V20 PolarHBondContact O-N 3.22Å; I18-S21 PolarHBondContact O-N 3.46Å; I18-S21 PolarHBondContact O-OG 3.22Å; I18-D22 VanDerWaalsContact CG2-OD2 3.31Å; I18-D22 WeakPolarHBondContact CG2-OD2 3.41Å; I18-D22 PolarHBondContact O-N 3.46Å; I18-K28 VanDerWaalsContact C-NZ 3.29Å; I18-K28 HydrophobicContact CG2-CD 4.45Å; I18-K28 PolarHBondContact O-NZ 2.67Å
19S62.8Low70.6Confident13 Ų1366.1 Ų66.19%0.09136%0.363CS..Hα-helixtrans-68.3-27.9178.1770000113.4L15 L16 E17 R25 Y32L15-S19 VanDerWaalsContact O-CB 3.24Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.13Å; L16-S19 WeakPolarHBondContact CA-OG 3.18Å; L16-S19 WeakPolarHBondContact O-CB 3.07Å; L16-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-OG 3.09Å; E17-S19 VanDerWaalsContact C-N 3.26Å; E17-S19 PolarHBondContact O-N 3.43Å; S19-R25 WeakPolarHBondContact O-CG 3.47Å; S19-R25 PolarHBondContact O-NE 3.41Å; S19-Y32 WeakPolarHBondContact CB-OH 3.37Å; S19-Y32 PolarHBondContact OG-OH 3.24Å
20V66Low70.7Confident102 Ų10262 Ų6262%0.61834%0.337SS*.Hα-helixtrans-75.9-32.6174.5178.80000110.7L16 E17 I18 R25L16-V20 PolarHBondContact O-N 2.98Å; L16-V20 VanDerWaalsContact O-N 3.13Å; E17-V20 PolarHBondContact O-N 3.27Å; I18-V20 VanDerWaalsContact C-N 3.29Å; I18-V20 PolarHBondContact O-N 3.22Å; V20-R25 PolarHBondContact O-NH2 2.87Å
21S68Low70.2Confident82 Ų8260.8 Ų60.857%0.57333%0.331SS*.Hα-helixtrans-80.1-41.8-173.6670000115.3E17 I18E17-S21 PolarHBondContact O-N 3.27Å; I18-S21 PolarHBondContact O-N 3.46Å; I18-S21 PolarHBondContact O-OG 3.22Å
22D64.1Low69.9Low73 Ų7360.2 Ų60.239%0.3933%0.327SS..SBendtrans-102.4150.4-166-49.5-26.5000114I18 Q24 R25 K28I18-D22 VanDerWaalsContact CG2-OD2 3.31Å; I18-D22 WeakPolarHBondContact CG2-OD2 3.41Å; I18-D22 PolarHBondContact O-N 3.46Å; D22-Q24 PolarHBondContact O-N 2.84Å; D22-Q24 VanDerWaalsContact O-N 3.13Å; D22-R25 WeakPolarHBondContact O-CG 3.37Å; D22-K28 IonicContact OD2-NZ 3.52Å; D22-K28 PolarHBondContact OD2-NZ 2.88Å
23G61.4Low70Confident76 Ų7660 Ų6078%0.78433%0.326SS*.SBendtrans-65-10176.100000115.8R25G23-R25 VanDerWaalsContact C-N 3.3Å; G23-R25 PolarHBondContact O-N 3.13Å
24Q64.4Low70.2Confident133 Ų13356.1 Ų56.162%0.62131%0.305SS*.  trans-93.544.9178.4-64.1-174.1-7.800112.7D22 W26 A27D22-Q24 PolarHBondContact O-N 2.84Å; D22-Q24 VanDerWaalsContact O-N 3.13Å; Q24-W26 VanDerWaalsContact C-N 3.28Å; Q24-W26 PolarHBondContact O-N 2.89Å; Q24-A27 PolarHBondContact O-N 3.27Å
25R68Low70.1Confident99 Ų9951.3 Ų51.337%0.37428%0.282SS..Hα-helixtrans-62.1-33.2-174-61.3-170.9166.5161.9-1.8113.4S19 V20 D22 G23 K28 C29 I58S19-R25 WeakPolarHBondContact O-CG 3.47Å; S19-R25 PolarHBondContact O-NE 3.41Å; V20-R25 PolarHBondContact O-NH2 2.87Å; D22-R25 WeakPolarHBondContact O-CG 3.37Å; G23-R25 VanDerWaalsContact C-N 3.3Å; G23-R25 PolarHBondContact O-N 3.13Å; R25-K28 PolarHBondContact O-N 3.35Å; R25-C29 PolarHBondContact O-N 3.32Å; R25-C29 PolarHBondContact O-SG 3.46Å; R25-C29 VanDerWaalsContact O-SG 3.38Å; R25-I58 HydrophobicContact CB-CD1 3.75Å; R25-I58 HydrophobicContact CB-CG1 3.65Å; R25-I58 HydrophobicContact CG-CD1 4.17Å
26W68.4Low70.1Confident61 Ų6150.6 Ų50.623%0.23128%0.278CS..Hα-helixtrans-67.2-38.4-178.167-92.9000113.1Q24 K28 C29 H30 H57 F181Q24-W26 VanDerWaalsContact C-N 3.28Å; Q24-W26 PolarHBondContact O-N 2.89Å; W26-K28 VanDerWaalsContact C-N 3.27Å; W26-K28 PolarHBondContact O-N 3.1Å; W26-C29 WeakPolarHBondContact O-CB 3.11Å; W26-C29 PolarHBondContact O-N 3.41Å; W26-H30 AromaticContact CE3-CE1 3.69Å; W26-H30 AromaticContact CE3-ND1 3.92Å; W26-H30 AromaticContact CZ3-CE1 3.93Å; W26-H30 AromaticContact CZ3-ND1 3.98Å; W26-H30 PolarHBondContact O-ND1 3.44Å; W26-H57 HydrophobicContact CB-CB 3.99Å; W26-H57 VanDerWaalsContact CB-O 3.22Å; W26-H57 WeakPolarHBondContact CB-O 3.46Å; W26-H57 HydrophobicContact CG-CB 4.27Å; W26-F181 AromaticContact CH2-CE2 3.41Å; W26-F181 HydrophobicContact CH2-CE2 3.41Å; W26-F181 VanDerWaalsContact CH2-CE2 3.41Å; W26-F181 AromaticContact CH2-CZ 3.34Å; W26-F181 HydrophobicContact CH2-CZ 3.34Å; W26-F181 HydrophobicContact CZ2-CE2 4.16Å; W26-F181 AromaticContact CZ2-CZ 3.6Å; W26-F181 HydrophobicContact CZ2-CZ 3.6Å; W26-F181 HydrophobicContact CZ3-CE2 4.1Å; W26-F181 HydrophobicContact CZ3-CZ 4.32Å
27A68.3Low70.2Confident26 Ų2649.2 Ų49.222%0.21527%0.27CS..Hα-helixtrans-65-35.3-179.300000111.6Q24 C29 H30Q24-A27 PolarHBondContact O-N 3.27Å; A27-C29 VanDerWaalsContact C-N 3.31Å; A27-C29 PolarHBondContact O-N 2.89Å; A27-H30 WeakPolarHBondContact O-CB 3.45Å; A27-H30 PolarHBondContact O-N 3.19Å
28K69.2Low70.5Confident20 Ų2049.2 Ų49.29%0.08726%0.264CS..Hα-helixtrans-68.9-29.6178.8-64.9171.4-175.7168.30112.3I18 D22 R25 W26 H30 I31 Y32I18-K28 VanDerWaalsContact C-NZ 3.29Å; I18-K28 HydrophobicContact CG2-CD 4.45Å; I18-K28 PolarHBondContact O-NZ 2.67Å; D22-K28 IonicContact OD2-NZ 3.52Å; D22-K28 PolarHBondContact OD2-NZ 2.88Å; R25-K28 PolarHBondContact O-N 3.35Å; W26-K28 VanDerWaalsContact C-N 3.27Å; W26-K28 PolarHBondContact O-N 3.1Å; K28-H30 VanDerWaalsContact C-N 3.26Å; K28-H30 PolarHBondContact O-N 3.32Å; K28-I31 WeakPolarHBondContact O-CB 3.47Å; K28-I31 PolarHBondContact O-N 2.82Å; K28-I31 VanDerWaalsContact O-N 3.07Å; K28-Y32 HydrophobicContact CB-CE2 4.49Å; K28-Y32 VanDerWaalsContact O-CD2 3.27Å; K28-Y32 WeakPolarHBondContact O-CD2 3.34Å; K28-Y32 PolarHBondContact O-N 3.2Å
29C71.4Confident70.9Confident2 Ų252.6 Ų52.61%0.01427%0.272CS..Hα-helixtrans-57.8-42.1174.3-61.50000111.5R25 W26 A27 I31 Y32 A33 M50 G61 A65R25-C29 PolarHBondContact O-N 3.32Å; R25-C29 PolarHBondContact O-SG 3.46Å; R25-C29 VanDerWaalsContact O-SG 3.38Å; W26-C29 WeakPolarHBondContact O-CB 3.11Å; W26-C29 PolarHBondContact O-N 3.41Å; A27-C29 VanDerWaalsContact C-N 3.31Å; A27-C29 PolarHBondContact O-N 2.89Å; C29-I31 VanDerWaalsContact C-N 3.3Å; C29-I31 PolarHBondContact O-N 3.48Å; C29-Y32 PolarHBondContact O-N 2.74Å; C29-A33 PolarHBondContact O-N 3.26Å; C29-M50 VanDerWaalsContact SG-SD 3.66Å; C29-G61 WeakPolarHBondContact CB-O 3.33Å; C29-A65 HydrophobicContact CB-CB 4.34Å; C29-A65 WeakPolarHBondContact O-CB 3.18Å
30H77.3Confident71.8Confident6 Ų653.4 Ų53.43%0.02828%0.277CS..Hα-helixtrans-64.7-35.5176.9-56.6128.1000112.4W26 A27 K28 Y32 A33 F34 V177W26-H30 AromaticContact CE3-CE1 3.69Å; W26-H30 AromaticContact CE3-ND1 3.92Å; W26-H30 AromaticContact CZ3-CE1 3.93Å; W26-H30 AromaticContact CZ3-ND1 3.98Å; W26-H30 PolarHBondContact O-ND1 3.44Å; A27-H30 WeakPolarHBondContact O-CB 3.45Å; A27-H30 PolarHBondContact O-N 3.19Å; K28-H30 VanDerWaalsContact C-N 3.26Å; K28-H30 PolarHBondContact O-N 3.32Å; H30-Y32 VanDerWaalsContact C-N 3.35Å; H30-Y32 PolarHBondContact O-N 3.49Å; H30-A33 WeakPolarHBondContact O-CB 3.46Å; H30-A33 PolarHBondContact O-N 3.2Å; H30-F34 WeakPolarHBondContact O-CD2 3.48Å; H30-F34 PolarHBondContact O-N 2.85Å; H30-V177 HydrophobicContact CB-CG1 3.85Å; H30-V177 WeakPolarHBondContact CD2-CG1 3.45Å; H30-V177 VanDerWaalsContact CE1-CG1 3.5Å; H30-V177 WeakPolarHBondContact CE1-CG1 3.35Å; H30-V177 WeakPolarHBondContact ND1-CG1 3.36Å; H30-V177 VanDerWaalsContact NE2-CG1 3.31Å; H30-V177 WeakPolarHBondContact NE2-CG1 3.41Å
31I72.1Confident72.6Confident80 Ų8053.1 Ų53.141%0.4127%0.272SS..Hα-helixtrans-62.2-43.8177.2-58.1175.7000110.6L15 K28 C29 A33 F34 E35L15-I31 HydrophobicContact CD1-CG2 3.65Å; L15-I31 HydrophobicContact CD2-CD1 4.49Å; L15-I31 HydrophobicContact CD2-CG2 4.35Å; K28-I31 WeakPolarHBondContact O-CB 3.47Å; K28-I31 PolarHBondContact O-N 2.82Å; K28-I31 VanDerWaalsContact O-N 3.07Å; C29-I31 VanDerWaalsContact C-N 3.3Å; C29-I31 PolarHBondContact O-N 3.48Å; I31-A33 PolarHBondContact O-N 3.16Å; I31-F34 PolarHBondContact O-N 2.91Å; I31-F34 VanDerWaalsContact O-N 3.16Å; I31-E35 PolarHBondContact O-N 3.3Å
32Y73.4Confident73.3Confident1 Ų153.7 Ų53.70%0.00427%0.265CS..Hα-helixtrans-58.6-37.5177.1-61.7-51.9000112.4T12 L15 L16 S19 K28 C29 H30 F34 E35 F36 M50T12-Y32 HydrophobicContact CG2-CE1 4.48Å; L15-Y32 HydrophobicContact CB-CE1 3.58Å; L15-Y32 HydrophobicContact CD1-CD1 4.49Å; L15-Y32 HydrophobicContact CD1-CE1 4.25Å; L15-Y32 PolarHBondContact O-OH 2.65Å; L16-Y32 WeakPolarHBondContact CA-OH 3.41Å; L16-Y32 HydrophobicContact CD2-CE1 4.39Å; L16-Y32 WeakPolarHBondContact CD2-OH 3.49Å; L16-Y32 HydrophobicContact CG-CE1 4.32Å; L16-Y32 PolarHBondContact N-OH 3.13Å; L16-Y32 VanDerWaalsContact N-OH 3.09Å; S19-Y32 WeakPolarHBondContact CB-OH 3.37Å; S19-Y32 PolarHBondContact OG-OH 3.24Å; K28-Y32 HydrophobicContact CB-CE2 4.49Å; K28-Y32 VanDerWaalsContact O-CD2 3.27Å; K28-Y32 WeakPolarHBondContact O-CD2 3.34Å; K28-Y32 PolarHBondContact O-N 3.2Å; C29-Y32 PolarHBondContact O-N 2.74Å; H30-Y32 VanDerWaalsContact C-N 3.35Å; H30-Y32 PolarHBondContact O-N 3.49Å; Y32-F34 VanDerWaalsContact C-N 3.33Å; Y32-F34 PolarHBondContact O-N 3.3Å; Y32-E35 PolarHBondContact O-N 3.4Å; Y32-F36 WeakPolarHBondContact O-CB 3.45Å; Y32-F36 WeakPolarHBondContact O-CD2 3.32Å; Y32-F36 PolarHBondContact O-N 3.12Å; Y32-M50 HydrophobicContact CD2-CE 4.26Å; Y32-M50 HydrophobicContact CE2-CE 3.71Å; Y32-M50 HydrophobicContact CE2-SD 4.49Å
33A75.2Confident74.2Confident0 Ų050.3 Ų50.30%025%0.247CC..Hα-helixtrans-60.5-42.8178.400000112.3C29 H30 I31 Y37 A65 V68 A69C29-A33 PolarHBondContact O-N 3.26Å; H30-A33 WeakPolarHBondContact O-CB 3.46Å; H30-A33 PolarHBondContact O-N 3.2Å; I31-A33 PolarHBondContact O-N 3.16Å; A33-Y37 WeakPolarHBondContact O-CB 3.05Å; A33-Y37 PolarHBondContact O-N 3.38Å; A33-Y37 VanDerWaalsContact O-N 3.14Å; A33-A65 HydrophobicContact CB-CB 3.96Å; A33-A65 WeakPolarHBondContact CB-O 3.31Å; A33-V68 HydrophobicContact CB-CB 3.98Å; A33-V68 HydrophobicContact CB-CG1 4.02Å; A33-A69 HydrophobicContact CB-CB 4.47Å
34F78.3Confident75.3Confident9 Ų947.3 Ų47.34%0.03921%0.213CC..Hα-helixtrans-73.8-31.6177.9-71.4-74.9000113.2C4 G5 H30 I31 Y32 V68 L158 L173 L174C4-F34 WeakPolarHBondContact CA-O 3.26Å; C4-F34 PolarHBondContact SG-O 3.37Å; C4-F34 VanDerWaalsContact SG-O 3.35Å; G5-F34 PolarHBondContact N-O 3.08Å; H30-F34 WeakPolarHBondContact O-CD2 3.48Å; H30-F34 PolarHBondContact O-N 2.85Å; I31-F34 PolarHBondContact O-N 2.91Å; I31-F34 VanDerWaalsContact O-N 3.16Å; Y32-F34 VanDerWaalsContact C-N 3.33Å; Y32-F34 PolarHBondContact O-N 3.3Å; F34-V68 HydrophobicContact CE1-CG1 4.48Å; F34-V68 HydrophobicContact CZ-CG1 4.4Å; F34-L158 HydrophobicContact CD1-CD1 4.23Å; F34-L158 HydrophobicContact CE1-CD1 4.39Å; F34-L173 HydrophobicContact CE1-CB 4.02Å; F34-L173 HydrophobicContact CZ-CB 3.98Å; F34-L174 HydrophobicContact CD2-CD1 4.32Å; F34-L174 HydrophobicContact CE1-CB 4.41Å; F34-L174 HydrophobicContact CE2-CB 4.24Å; F34-L174 HydrophobicContact CE2-CD1 3.75Å; F34-L174 HydrophobicContact CZ-CB 3.82Å; F34-L174 HydrophobicContact CZ-CD1 4.22Å
35E76.8Confident76.3Confident4 Ų447 Ų472%0.01921%0.211CC..Hα-helixtrans-70.9-43.8177.8-172.1177.9-179.300111.6T12 L15 I31 Y32T12-E35 PolarHBondContact N-OE1 2.98Å; T12-E35 VanDerWaalsContact OG1-CD 3.29Å; T12-E35 PolarHBondContact OG1-OE1 3.44Å; L15-E35 WeakPolarHBondContact CD1-OE2 3.37Å; I31-E35 PolarHBondContact O-N 3.3Å; Y32-E35 PolarHBondContact O-N 3.4Å
36F73Confident76.9Confident14 Ų1444.4 Ų44.46%0.06121%0.205CC..SBendtrans-98.612.1-174.8-71.6-74000115.1T12 Y32 R38 R39 H42 C43 L46T12-F36 HydrophobicContact CG2-CE2 3.53Å; T12-F36 HydrophobicContact CG2-CZ 3.54Å; T12-F36 WeakPolarHBondContact OG1-CE2 3.38Å; T12-F36 WeakPolarHBondContact OG1-CZ 3.48Å; Y32-F36 WeakPolarHBondContact O-CB 3.45Å; Y32-F36 WeakPolarHBondContact O-CD2 3.32Å; Y32-F36 PolarHBondContact O-N 3.12Å; F36-R38 PolarHBondContact O-N 3.32Å; F36-R39 CarbonylContact O-C 3.45Å; F36-R39 PolarHBondContact O-N 3.19Å; F36-R39 VanDerWaalsContact O-O 3.11Å; F36-H42 HydrophobicContact CD1-CB 3.86Å; F36-H42 HydrophobicContact CE1-CB 4.07Å; F36-C43 HydrophobicContact CB-CB 3.61Å; F36-C43 HydrophobicContact CG-CB 4.41Å; F36-L46 HydrophobicContact CD2-CD1 4.18Å; F36-L46 HydrophobicContact CE2-CD1 3.57Å; F36-L46 HydrophobicContact CZ-CD1 3.88Å
37Y74.4Confident77.6Confident18 Ų1841.5 Ų41.57%0.07119%0.194CC..THydrogen-bonded Turntrans-57.4-23.4177.3-167.3-96.2000113.3A33 V68 S157 L158 Y159A33-Y37 WeakPolarHBondContact O-CB 3.05Å; A33-Y37 PolarHBondContact O-N 3.38Å; A33-Y37 VanDerWaalsContact O-N 3.14Å; Y37-V68 WeakPolarHBondContact CD2-O 3.2Å; Y37-V68 WeakPolarHBondContact CE2-O 3.43Å; Y37-S157 WeakPolarHBondContact OH-CA 3.33Å; Y37-L158 HydrophobicContact CD1-CB 3.69Å; Y37-L158 HydrophobicContact CD1-CD1 3.69Å; Y37-L158 HydrophobicContact CD1-CG 3.99Å; Y37-L158 HydrophobicContact CD2-CD1 3.5Å; Y37-L158 VanDerWaalsContact CD2-CD1 3.5Å; Y37-L158 HydrophobicContact CD2-CG 4.12Å; Y37-L158 HydrophobicContact CE1-CB 3.37Å; Y37-L158 HydrophobicContact CE1-CD1 3.96Å; Y37-L158 HydrophobicContact CE1-CG 3.74Å; Y37-L158 HydrophobicContact CE2-CB 4.4Å; Y37-L158 HydrophobicContact CE2-CD1 3.75Å; Y37-L158 HydrophobicContact CE2-CG 3.84Å; Y37-L158 HydrophobicContact CG-CB 4.39Å; Y37-L158 HydrophobicContact CG-CD1 3.49Å; Y37-L158 VanDerWaalsContact CG-CD1 3.49Å; Y37-L158 HydrophobicContact CG-CG 4.22Å; Y37-L158 PolarHBondContact OH-N 3.03Å; Y37-L158 VanDerWaalsContact OH-N 3.11Å; Y37-Y159 VanDerWaalsContact C-OH 3.25Å; Y37-Y159 HydrophobicContact CD1-CD2 4.21Å; Y37-Y159 HydrophobicContact CD1-CE1 4.45Å; Y37-Y159 AromaticContact CD1-CE2 3.39Å; Y37-Y159 HydrophobicContact CD1-CE2 3.39Å; Y37-Y159 AromaticContact CD1-CZ 3.51Å; Y37-Y159 WeakPolarHBondContact CD1-OH 3.45Å; Y37-Y159 AromaticContact CE1-CD2 3.65Å; Y37-Y159 HydrophobicContact CE1-CD2 3.65Å; Y37-Y159 AromaticContact CE1-CE2 3.23Å; Y37-Y159 HydrophobicContact CE1-CE2 3.23Å; Y37-Y159 AromaticContact CE1-CZ 3.85Å; Y37-Y159 PolarHBondContact O-OH 3.03Å
38R76.7Confident78.4Confident140 Ų14041.9 Ų41.953%0.52820%0.195SC..THydrogen-bonded Turntrans-77.8-20174.3-160172.7-175.81589114.5F36 Y159 D163F36-R38 PolarHBondContact O-N 3.32Å; R38-Y159 WeakPolarHBondContact CA-OH 3.47Å; R38-Y159 VanDerWaalsContact CB-OH 3.26Å; R38-Y159 WeakPolarHBondContact CB-OH 3.27Å; R38-Y159 PolarHBondContact N-OH 2.72Å; R38-Y159 VanDerWaalsContact N-OH 3.08Å; R38-D163 IonicContact CZ-OD1 3.66Å; R38-D163 IonicContact NH1-OD1 3.84Å; R38-D163 IonicContact NH2-OD1 2.73Å; R38-D163 PolarHBondContact NH2-OD1 3.2Å
39R80.3Confident79.1Confident145 Ų14550.6 Ų50.655%0.54723%0.227SC..  trans-137.577.3179.9-66.7-170.4-176.7132.90.1108.8F36 D41 H42 C43F36-R39 CarbonylContact O-C 3.45Å; F36-R39 PolarHBondContact O-N 3.19Å; F36-R39 VanDerWaalsContact O-O 3.11Å; R39-D41 PolarHBondContact O-N 2.69Å; R39-D41 VanDerWaalsContact O-N 3.14Å; R39-H42 HydrophobicContact CB-CB 4.31Å; R39-H42 PolarHBondContact O-N 3.01Å; R39-H42 VanDerWaalsContact O-N 3.12Å; R39-C43 PolarHBondContact O-N 3.35Å
40P81.6Confident79.7Confident30 Ų3051.9 Ų51.920%0.19523%0.234CC..Hα-helixtrans-55.1-33.8-178.520.7-32.5000112.3H42 C43 L44P40-H42 PolarHBondContact O-N 3.24Å; P40-C43 WeakPolarHBondContact O-CB 3.24Å; P40-C43 PolarHBondContact O-N 3.2Å; P40-L44 WeakPolarHBondContact O-CB 3.4Å; P40-L44 PolarHBondContact O-N 3.18Å
41D83.2Confident80.2Confident97 Ų9752.4 Ų52.452%0.51924%0.237SC..Hα-helixtrans-60.6-41.2179.9-53.4-42.3000112.9R39 L44 Q45R39-D41 PolarHBondContact O-N 2.69Å; R39-D41 VanDerWaalsContact O-N 3.14Å; D41-L44 PolarHBondContact O-N 3.17Å; D41-Q45 WeakPolarHBondContact O-CG 3.22Å; D41-Q45 PolarHBondContact O-N 3.07Å; D41-Q45 VanDerWaalsContact O-N 3.1Å
42H81.9Confident80.8Confident94 Ų9456.8 Ų56.844%0.43525%0.253SS..Hα-helixtrans-69.5-39.7177.2-80.3-84.3000111.5F36 R39 P40 L44 Q45 L46F36-H42 HydrophobicContact CD1-CB 3.86Å; F36-H42 HydrophobicContact CE1-CB 4.07Å; R39-H42 HydrophobicContact CB-CB 4.31Å; R39-H42 PolarHBondContact O-N 3.01Å; R39-H42 VanDerWaalsContact O-N 3.12Å; P40-H42 PolarHBondContact O-N 3.24Å; H42-L44 VanDerWaalsContact C-N 3.27Å; H42-L44 PolarHBondContact O-N 2.82Å; H42-Q45 PolarHBondContact O-N 3.2Å; H42-L46 WeakPolarHBondContact O-CG 3.33Å; H42-L46 PolarHBondContact O-N 3.07Å
43C82.3Confident81.4Confident1 Ų158.3 Ų58.31%0.00726%0.264CS..Hα-helixtrans-57.2-46.8172.8-167.30000110.2F36 R39 P40 Q45 L46 V47 A69F36-C43 HydrophobicContact CB-CB 3.61Å; F36-C43 HydrophobicContact CG-CB 4.41Å; R39-C43 PolarHBondContact O-N 3.35Å; P40-C43 WeakPolarHBondContact O-CB 3.24Å; P40-C43 PolarHBondContact O-N 3.2Å; C43-Q45 PolarHBondContact O-N 3.5Å; C43-L46 PolarHBondContact O-N 3.36Å; C43-V47 WeakPolarHBondContact O-CB 3.36Å; C43-V47 VanDerWaalsContact O-CG2 3.24Å; C43-V47 WeakPolarHBondContact O-CG2 3.33Å; C43-V47 PolarHBondContact O-N 3.41Å; C43-A69 HydrophobicContact CB-CB 3.92Å; C43-A69 VanDerWaalsContact SG-CB 3.57Å
44L86Confident82Confident13 Ų1364.4 Ų64.47%0.06831%0.305CS..Hα-helixtrans-61.9-42.6-177.3-138.176.2000112.4P40 D41 H42 L46 V47 S48 M66 D77 A78 L81P40-L44 WeakPolarHBondContact O-CB 3.4Å; P40-L44 PolarHBondContact O-N 3.18Å; D41-L44 PolarHBondContact O-N 3.17Å; H42-L44 VanDerWaalsContact C-N 3.27Å; H42-L44 PolarHBondContact O-N 2.82Å; L44-L46 PolarHBondContact O-N 3.45Å; L44-V47 PolarHBondContact O-N 3.42Å; L44-S48 WeakPolarHBondContact O-CB 3.16Å; L44-S48 PolarHBondContact O-N 3.3Å; L44-S48 PolarHBondContact O-OG 3.28Å; L44-M66 HydrophobicContact CD1-CB 4.34Å; L44-M66 HydrophobicContact CD1-CG 3.87Å; L44-M66 HydrophobicContact CD1-SD 4.04Å; L44-D77 HydrophobicContact CD2-CB 3.46Å; L44-D77 VanDerWaalsContact CD2-CB 3.46Å; L44-A78 HydrophobicContact CD1-CB 3.5Å; L44-A78 HydrophobicContact CD2-CB 3.99Å; L44-A78 HydrophobicContact CG-CB 4.36Å; L44-L81 HydrophobicContact CD2-CD1 4.43Å; L44-L81 HydrophobicContact CG-CD1 4.36Å
45Q84.1Confident82.4Confident126 Ų12666.4 Ų66.459%0.58932%0.316SS*.Hα-helixtrans-61.5-43176.8-71.3176.316.700112.2D41 H42 C43 S48D41-Q45 WeakPolarHBondContact O-CG 3.22Å; D41-Q45 PolarHBondContact O-N 3.07Å; D41-Q45 VanDerWaalsContact O-N 3.1Å; H42-Q45 PolarHBondContact O-N 3.2Å; C43-Q45 PolarHBondContact O-N 3.5Å; Q45-S48 PolarHBondContact O-OG 3.46Å
46L80.7Confident83Confident45 Ų4567.8 Ų67.824%0.23633%0.325CS..Hα-helixtrans-67.7-47.7178.2-68.4173.7000111.5T12 L16 F36 H42 C43 L44T12-L46 HydrophobicContact CG2-CD1 3.92Å; L16-L46 HydrophobicContact CD1-CD2 4.09Å; F36-L46 HydrophobicContact CD2-CD1 4.18Å; F36-L46 HydrophobicContact CE2-CD1 3.57Å; F36-L46 HydrophobicContact CZ-CD1 3.88Å; H42-L46 WeakPolarHBondContact O-CG 3.33Å; H42-L46 PolarHBondContact O-N 3.07Å; C43-L46 PolarHBondContact O-N 3.36Å; L44-L46 PolarHBondContact O-N 3.45Å
47V83.4Confident83.7Confident0 Ų071.1 Ų71.10%034%0.341CS..Hα-helixtrans-75.8-27.7-173.9-179.80000112.2C43 L44 R49 M50 T51 A62 A65 M66C43-V47 WeakPolarHBondContact O-CB 3.36Å; C43-V47 VanDerWaalsContact O-CG2 3.24Å; C43-V47 WeakPolarHBondContact O-CG2 3.33Å; C43-V47 PolarHBondContact O-N 3.41Å; L44-V47 PolarHBondContact O-N 3.42Å; V47-R49 PolarHBondContact O-N 3.37Å; V47-R49 VanDerWaalsContact O-N 3.08Å; V47-M50 WeakPolarHBondContact O-CA 3.37Å; V47-M50 WeakPolarHBondContact O-CB 3.22Å; V47-M50 PolarHBondContact O-N 3.12Å; V47-T51 PolarHBondContact O-N 3.38Å; V47-A62 VanDerWaalsContact CG1-CA 3.47Å; V47-A62 HydrophobicContact CG1-CB 3.47Å; V47-A62 VanDerWaalsContact CG1-CB 3.47Å; V47-A62 VanDerWaalsContact CG1-O 3.25Å; V47-A62 WeakPolarHBondContact CG1-O 3.02Å; V47-A65 HydrophobicContact CG2-CB 4.28Å; V47-M66 HydrophobicContact CB-CG 4.15Å; V47-M66 HydrophobicContact CG1-CE 4.43Å; V47-M66 HydrophobicContact CG1-CG 3.64Å; V47-M66 HydrophobicContact CG1-SD 4.19Å
48S85.7Confident84.3Confident34 Ų3470.7 Ų70.724%0.23834%0.34CS..Hα-helixtrans-57.5-25176.469.50000114L44 Q45 T51L44-S48 WeakPolarHBondContact O-CB 3.16Å; L44-S48 PolarHBondContact O-N 3.3Å; L44-S48 PolarHBondContact O-OG 3.28Å; Q45-S48 PolarHBondContact O-OG 3.46Å; S48-T51 PolarHBondContact O-OG1 3.38Å
49R84Confident85Confident203 Ų20366.3 Ų66.377%0.76632%0.324SS*.Hα-helixtrans-77.7-33.7174.5-63.3-178.9-177.9178.60.3111.6V47 K52V47-R49 PolarHBondContact O-N 3.37Å; V47-R49 VanDerWaalsContact O-N 3.08Å; R49-K52 PolarHBondContact O-N 3.2Å
50M84Confident85.5Confident30 Ų3060 Ų6015%0.14830%0.3CS..Hα-helixtrans-74.8-28.1-177.4-63.5-179.5-178.200112.5L16 C29 Y32 V47 K52 S53 I58 A62L16-M50 HydrophobicContact CD2-CE 4.29Å; C29-M50 VanDerWaalsContact SG-SD 3.66Å; Y32-M50 HydrophobicContact CD2-CE 4.26Å; Y32-M50 HydrophobicContact CE2-CE 3.71Å; Y32-M50 HydrophobicContact CE2-SD 4.49Å; V47-M50 WeakPolarHBondContact O-CA 3.37Å; V47-M50 WeakPolarHBondContact O-CB 3.22Å; V47-M50 PolarHBondContact O-N 3.12Å; M50-K52 PolarHBondContact O-N 3.14Å; M50-S53 VanDerWaalsContact O-CB 3.26Å; M50-S53 WeakPolarHBondContact O-CB 3.43Å; M50-S53 PolarHBondContact O-N 3.4Å; M50-S53 VanDerWaalsContact O-N 3.09Å; M50-I58 HydrophobicContact CB-CG2 3.82Å; M50-I58 HydrophobicContact CG-CG2 4.35Å; M50-A62 HydrophobicContact CB-CB 3.85Å
51T86.4Confident85.9Confident17 Ų1758.6 Ų58.610%0.10429%0.291CS..THydrogen-bonded Turntrans-62-22.5175.760.20000113.3V47 S48 R59 A62 M66 M85V47-T51 PolarHBondContact O-N 3.38Å; S48-T51 PolarHBondContact O-OG1 3.38Å; T51-R59 WeakPolarHBondContact O-CD 3.49Å; T51-R59 WeakPolarHBondContact O-CG 3.22Å; T51-A62 HydrophobicContact CG2-CB 3.99Å; T51-M66 HydrophobicContact CG2-CE 3.47Å; T51-M66 VanDerWaalsContact CG2-CE 3.47Å; T51-M66 HydrophobicContact CG2-SD 4.32Å; T51-M85 HydrophobicContact CG2-CE 4.42Å; T51-M85 HydrophobicContact CG2-SD 3.59Å; T51-M85 VanDerWaalsContact CG2-SD 3.59Å
52K86.3Confident86.1Confident172 Ų17254 Ų5475%0.74827%0.266SS*.THydrogen-bonded Turntrans-92.73.9178.3-61-176.9-178.7179.80113.9R49 M50R49-K52 PolarHBondContact O-N 3.2Å; M50-K52 PolarHBondContact O-N 3.14Å
53S86.2Confident86.6Confident33 Ų3349.5 Ų49.523%0.23125%0.245CC..  trans-67.2146.3179-174.10000111.7M50 D55 R59M50-S53 VanDerWaalsContact O-CB 3.26Å; M50-S53 WeakPolarHBondContact O-CB 3.43Å; M50-S53 PolarHBondContact O-N 3.4Å; M50-S53 VanDerWaalsContact O-N 3.09Å; S53-D55 PolarHBondContact O-N 3.39Å; S53-D55 PolarHBondContact OG-N 2.83Å; S53-R59 WeakPolarHBondContact O-CD 3.48Å; S53-R59 WeakPolarHBondContact O-CG 3.25Å
54C86Confident87.1Confident127 Ų12749.6 Ų49.686%0.85825%0.245SC*.SBendtrans-68.4-23.4173.2-55.10000112.8P56C54-P56 WeakPolarHBondContact O-CD 3.47Å
55D87.7Confident87.3Confident51 Ų5149 Ų4927%0.27324%0.242SC..  trans-79.9116.4-179.8-178.8-6.2000110.3S53 H57 I58 R59S53-D55 PolarHBondContact O-N 3.39Å; S53-D55 PolarHBondContact OG-N 2.83Å; D55-H57 PolarHBondContact O-N 3.36Å; D55-H57 WeakPolarHBondContact OD1-CB 3.33Å; D55-H57 IonicContact OD1-CD2 3.5Å; D55-H57 PolarHBondContact OD1-CD2 3.33Å; D55-H57 IonicContact OD1-CG 3.8Å; D55-H57 PolarHBondContact OD1-N 2.89Å; D55-I58 HydrophobicContact CB-CB 4.27Å; D55-I58 HydrophobicContact CB-CD1 3.74Å; D55-I58 HydrophobicContact CB-CG1 3.89Å; D55-I58 PolarHBondContact O-N 2.96Å; D55-I58 VanDerWaalsContact O-N 3.13Å; D55-R59 PolarHBondContact O-N 3.42Å
56P89.6Confident87.6Confident33 Ų3343 Ų4321%0.21421%0.214CC..Hα-helixtrans-64-26.9-179.728.4-36.5000113C54 I58 R59 Y60 T90 F92 V93C54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-I58 VanDerWaalsContact C-N 3.32Å; P56-I58 PolarHBondContact O-N 3.47Å; P56-R59 PolarHBondContact O-N 3Å; P56-Y60 WeakPolarHBondContact O-CB 3.28Å; P56-Y60 PolarHBondContact O-N 2.96Å; P56-T90 HydrophobicContact CB-CG2 3.91Å; P56-F92 HydrophobicContact CB-CE1 4.42Å; P56-F92 HydrophobicContact CB-CE2 3.93Å; P56-F92 HydrophobicContact CB-CZ 3.54Å; P56-F92 HydrophobicContact CG-CZ 3.79Å; P56-V93 HydrophobicContact CB-CG2 3.86Å; P56-V93 WeakPolarHBondContact O-CG2 3.24Å
57H87.8Confident88.1Confident84 Ų8440.8 Ų40.839%0.38920%0.203SC..Hα-helixtrans-66.2-36.7175.5-65.4-70.4000111.8W26 D55 G61W26-H57 HydrophobicContact CB-CB 3.99Å; W26-H57 VanDerWaalsContact CB-O 3.22Å; W26-H57 WeakPolarHBondContact CB-O 3.46Å; W26-H57 HydrophobicContact CG-CB 4.27Å; D55-H57 PolarHBondContact O-N 3.36Å; D55-H57 WeakPolarHBondContact OD1-CB 3.33Å; D55-H57 IonicContact OD1-CD2 3.5Å; D55-H57 PolarHBondContact OD1-CD2 3.33Å; D55-H57 IonicContact OD1-CG 3.8Å; D55-H57 PolarHBondContact OD1-N 2.89Å; H57-G61 PolarHBondContact O-N 3.45Å
58I87.5Confident88.4Confident10 Ų1040.9 Ų40.95%0.05120%0.203CC..Hα-helixtrans-68.5-43.1175.4-61.7176.4000110.1R25 M50 D55 P56 Y60 G61 A62R25-I58 HydrophobicContact CB-CD1 3.75Å; R25-I58 HydrophobicContact CB-CG1 3.65Å; R25-I58 HydrophobicContact CG-CD1 4.17Å; M50-I58 HydrophobicContact CB-CG2 3.82Å; M50-I58 HydrophobicContact CG-CG2 4.35Å; D55-I58 HydrophobicContact CB-CB 4.27Å; D55-I58 HydrophobicContact CB-CD1 3.74Å; D55-I58 HydrophobicContact CB-CG1 3.89Å; D55-I58 PolarHBondContact O-N 2.96Å; D55-I58 VanDerWaalsContact O-N 3.13Å; P56-I58 VanDerWaalsContact C-N 3.32Å; P56-I58 PolarHBondContact O-N 3.47Å; I58-Y60 VanDerWaalsContact C-N 3.35Å; I58-Y60 PolarHBondContact O-N 2.9Å; I58-G61 PolarHBondContact O-N 3.35Å; I58-A62 VanDerWaalsContact O-CB 3.22Å; I58-A62 WeakPolarHBondContact O-CB 3.49Å; I58-A62 PolarHBondContact O-N 3.26Å
59R90.3Very high88.5Confident48 Ų4839.3 Ų39.318%0.18119%0.193CC..Hα-helixtrans-60.3-44.1176.1-66.7-166.9-65.3-171.4-1111.9T51 S53 D55 P56 A62 A63 M85 D88 V93T51-R59 WeakPolarHBondContact O-CD 3.49Å; T51-R59 WeakPolarHBondContact O-CG 3.22Å; S53-R59 WeakPolarHBondContact O-CD 3.48Å; S53-R59 WeakPolarHBondContact O-CG 3.25Å; D55-R59 PolarHBondContact O-N 3.42Å; P56-R59 PolarHBondContact O-N 3Å; R59-A62 PolarHBondContact O-N 3.38Å; R59-A63 WeakPolarHBondContact O-CB 3.19Å; R59-A63 PolarHBondContact O-N 3.37Å; R59-M85 HydrophobicContact CB-CE 3.86Å; R59-M85 WeakPolarHBondContact O-CE 3.47Å; R59-D88 VanDerWaalsContact CZ-CG 3.48Å; R59-D88 IonicContact CZ-OD1 3.75Å; R59-D88 VanDerWaalsContact CZ-OD1 3.3Å; R59-D88 IonicContact CZ-OD2 3.44Å; R59-D88 IonicContact NE-OD2 3.41Å; R59-D88 PolarHBondContact NE-OD2 3.32Å; R59-D88 IonicContact NH1-OD1 2.88Å; R59-D88 IonicContact NH1-OD2 2.81Å; R59-D88 PolarHBondContact NH1-OD2 3.45Å; R59-D88 IonicContact NH2-OD1 3.3Å; R59-D88 PolarHBondContact NH2-OD1 3.19Å; R59-D88 IonicContact NH2-OD2 2.9Å; R59-D88 PolarHBondContact NH2-OD2 2.93Å; R59-V93 HydrophobicContact CB-CG1 3.95Å; R59-V93 HydrophobicContact CB-CG2 4.21Å
60Y91Very high88.7Confident13 Ų1329.7 Ų29.75%0.05116%0.157CC..Hα-helixtrans-60.3-51.1174.6176-97.1000112.1P56 I58 A62 A63 M64 F92P56-Y60 WeakPolarHBondContact O-CB 3.28Å; P56-Y60 PolarHBondContact O-N 2.96Å; I58-Y60 VanDerWaalsContact C-N 3.35Å; I58-Y60 PolarHBondContact O-N 2.9Å; Y60-A62 VanDerWaalsContact C-N 3.28Å; Y60-A62 PolarHBondContact O-N 3.37Å; Y60-A63 PolarHBondContact O-N 2.92Å; Y60-M64 HydrophobicContact CE2-CE 4.45Å; Y60-M64 PolarHBondContact O-N 2.91Å; Y60-F92 HydrophobicContact CD2-CD2 4.22Å; Y60-F92 WeakPolarHBondContact CD2-O 3.41Å; Y60-F92 WeakPolarHBondContact CE2-O 3.38Å; Y60-F92 HydrophobicContact CG-CD2 4.24Å
61G88.9Confident89Confident0 Ų028.5 Ų28.50%015%0.151CC..Hα-helixtrans-60.3-38.8178.600000112.3C29 H57 I58 A65C29-G61 WeakPolarHBondContact CB-O 3.33Å; H57-G61 PolarHBondContact O-N 3.45Å; I58-G61 PolarHBondContact O-N 3.35Å; G61-A65 WeakPolarHBondContact O-CB 3.38Å; G61-A65 PolarHBondContact O-N 2.99Å
62A89.4Confident88.8Confident0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-63.6-46.6174.400000112V47 M50 T51 I58 R59 Y60 A65 M66V47-A62 VanDerWaalsContact CG1-CA 3.47Å; V47-A62 HydrophobicContact CG1-CB 3.47Å; V47-A62 VanDerWaalsContact CG1-CB 3.47Å; V47-A62 VanDerWaalsContact CG1-O 3.25Å; V47-A62 WeakPolarHBondContact CG1-O 3.02Å; M50-A62 HydrophobicContact CB-CB 3.85Å; T51-A62 HydrophobicContact CG2-CB 3.99Å; I58-A62 VanDerWaalsContact O-CB 3.22Å; I58-A62 WeakPolarHBondContact O-CB 3.49Å; I58-A62 PolarHBondContact O-N 3.26Å; R59-A62 PolarHBondContact O-N 3.38Å; Y60-A62 VanDerWaalsContact C-N 3.28Å; Y60-A62 PolarHBondContact O-N 3.37Å; A62-A65 PolarHBondContact O-N 3.18Å; A62-M66 WeakPolarHBondContact O-CG 3.4Å; A62-M66 PolarHBondContact O-N 3.11Å
63A92.3Very high88.7Confident0 Ų024.4 Ų24.40%015%0.148CC..Hα-helixtrans-59.6-49.1177.300000111.5R59 Y60 A65 M66 G67 L82 M85 V97 A100R59-A63 WeakPolarHBondContact O-CB 3.19Å; R59-A63 PolarHBondContact O-N 3.37Å; Y60-A63 PolarHBondContact O-N 2.92Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.98Å; A63-M66 PolarHBondContact O-N 3.19Å; A63-G67 PolarHBondContact O-N 3.16Å; A63-L82 HydrophobicContact CB-CD2 3.74Å; A63-M85 HydrophobicContact CB-CE 4.19Å; A63-V97 HydrophobicContact CB-CG2 3.86Å; A63-A100 WeakPolarHBondContact O-CB 3.35Å
64M91.2Very high88.6Confident2 Ų224.3 Ų24.31%0.0115%0.149CC..Hα-helixtrans-63.5-39.7178.3-168.36062.800112Y60 M66 G67 V68 I99 F176 V177Y60-M64 HydrophobicContact CE2-CE 4.45Å; Y60-M64 PolarHBondContact O-N 2.91Å; M64-M66 PolarHBondContact O-N 2.64Å; M64-G67 PolarHBondContact O-N 2.94Å; M64-V68 WeakPolarHBondContact O-CG2 3.27Å; M64-V68 PolarHBondContact O-N 3.06Å; M64-I99 HydrophobicContact CE-CB 4.25Å; M64-I99 HydrophobicContact CE-CD1 4.5Å; M64-I99 HydrophobicContact CE-CG2 3.94Å; M64-I99 HydrophobicContact SD-CG2 4.23Å; M64-F176 HydrophobicContact SD-CE1 4.29Å; M64-V177 HydrophobicContact CG-CG1 4.35Å; M64-V177 HydrophobicContact CG-CG2 3.92Å; M64-V177 HydrophobicContact SD-CG2 4.42Å
65A89.8Confident88.7Confident0 Ų019.4 Ų19.40%012%0.116CC..Hα-helixtrans-62.5-41.8177.200000112.5C29 A33 V47 G61 A62 A63 A69C29-A65 HydrophobicContact CB-CB 4.34Å; C29-A65 WeakPolarHBondContact O-CB 3.18Å; A33-A65 HydrophobicContact CB-CB 3.96Å; A33-A65 WeakPolarHBondContact CB-O 3.31Å; V47-A65 HydrophobicContact CG2-CB 4.28Å; G61-A65 WeakPolarHBondContact O-CB 3.38Å; G61-A65 PolarHBondContact O-N 2.99Å; A62-A65 PolarHBondContact O-N 3.18Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.98Å; A65-A69 VanDerWaalsContact O-CB 3.22Å; A65-A69 WeakPolarHBondContact O-CB 3.38Å; A65-A69 PolarHBondContact O-N 2.9Å
66M90.4Very high88.8Confident0 Ų023.6 Ų23.60%013%0.131CC..Hα-helixtrans-64.8-41.4172.7-68.7-174.9-69.900111.6L44 V47 T51 A62 A63 M64 V68 A69 C70 L81 L82 M85L44-M66 HydrophobicContact CD1-CB 4.34Å; L44-M66 HydrophobicContact CD1-CG 3.87Å; L44-M66 HydrophobicContact CD1-SD 4.04Å; V47-M66 HydrophobicContact CB-CG 4.15Å; V47-M66 HydrophobicContact CG1-CE 4.43Å; V47-M66 HydrophobicContact CG1-CG 3.64Å; V47-M66 HydrophobicContact CG1-SD 4.19Å; T51-M66 HydrophobicContact CG2-CE 3.47Å; T51-M66 VanDerWaalsContact CG2-CE 3.47Å; T51-M66 HydrophobicContact CG2-SD 4.32Å; A62-M66 WeakPolarHBondContact O-CG 3.4Å; A62-M66 PolarHBondContact O-N 3.11Å; A63-M66 PolarHBondContact O-N 3.19Å; M64-M66 PolarHBondContact O-N 2.64Å; M66-V68 PolarHBondContact O-N 3.31Å; M66-A69 PolarHBondContact O-N 3.42Å; M66-C70 VanDerWaalsContact O-CB 3.28Å; M66-C70 WeakPolarHBondContact O-CB 3.36Å; M66-C70 PolarHBondContact O-N 2.81Å; M66-L81 HydrophobicContact SD-CB 4.41Å; M66-L81 HydrophobicContact SD-CD1 4.3Å; M66-L82 HydrophobicContact CB-CD1 4.39Å; M66-L82 HydrophobicContact CE-CD2 3.56Å; M66-L82 HydrophobicContact CE-CG 3.79Å; M66-M85 HydrophobicContact CE-SD 4.33Å
67G91.2Very high88.8Confident0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-58.2-47176.800000112.7A63 M64 A71A63-G67 PolarHBondContact O-N 3.16Å; M64-G67 PolarHBondContact O-N 2.94Å; G67-A71 WeakPolarHBondContact O-CA 3.23Å; G67-A71 WeakPolarHBondContact O-CB 3.18Å; G67-A71 PolarHBondContact O-N 3.22Å; G67-A71 VanDerWaalsContact O-N 3.08Å
68V89.9Confident89Confident1 Ų122.9 Ų22.91%0.00613%0.129CC..Hα-helixtrans-68.7-49.5176.9174.20000110.8A33 F34 Y37 M64 M66 C70 A71 M103 L173 V177A33-V68 HydrophobicContact CB-CB 3.98Å; A33-V68 HydrophobicContact CB-CG1 4.02Å; F34-V68 HydrophobicContact CE1-CG1 4.48Å; F34-V68 HydrophobicContact CZ-CG1 4.4Å; Y37-V68 WeakPolarHBondContact CD2-O 3.2Å; Y37-V68 WeakPolarHBondContact CE2-O 3.43Å; M64-V68 WeakPolarHBondContact O-CG2 3.27Å; M64-V68 PolarHBondContact O-N 3.06Å; M66-V68 PolarHBondContact O-N 3.31Å; V68-C70 VanDerWaalsContact C-N 3.33Å; V68-C70 PolarHBondContact O-N 2.88Å; V68-A71 PolarHBondContact O-N 3.05Å; V68-M103 HydrophobicContact CG2-SD 4.43Å; V68-L173 HydrophobicContact CG1-CD1 4.27Å; V68-V177 HydrophobicContact CG2-CG2 3.88Å
69A88.3Confident89.2Confident2 Ų222.4 Ų22.42%0.01713%0.127CC..Hα-helixtrans-65.3-34-17600000113.6A33 C43 A65 M66A33-A69 HydrophobicContact CB-CB 4.47Å; C43-A69 HydrophobicContact CB-CB 3.92Å; C43-A69 VanDerWaalsContact SG-CB 3.57Å; A65-A69 VanDerWaalsContact O-CB 3.22Å; A65-A69 WeakPolarHBondContact O-CB 3.38Å; A65-A69 PolarHBondContact O-N 2.9Å; M66-A69 PolarHBondContact O-N 3.42Å
70C88.7Confident89.3Confident1 Ų122.2 Ų22.21%0.00713%0.132CC..THydrogen-bonded Turntrans-105.414-177.6-62.90000113.5M66 V68 G72 T73 A78 I104M66-C70 VanDerWaalsContact O-CB 3.28Å; M66-C70 WeakPolarHBondContact O-CB 3.36Å; M66-C70 PolarHBondContact O-N 2.81Å; V68-C70 VanDerWaalsContact C-N 3.33Å; V68-C70 PolarHBondContact O-N 2.88Å; C70-G72 PolarHBondContact O-N 3.05Å; C70-T73 WeakPolarHBondContact CA-OG1 3.48Å; C70-T73 WeakPolarHBondContact CB-OG1 3.38Å; C70-T73 PolarHBondContact O-N 2.78Å; C70-T73 VanDerWaalsContact O-N 3.12Å; C70-T73 PolarHBondContact O-OG1 3.18Å; C70-A78 HydrophobicContact CB-CB 4.16Å; C70-I104 HydrophobicContact CB-CD1 4.14Å; C70-I104 HydrophobicContact CB-CG1 3.89Å
71A89Confident89.3Confident4 Ų423.1 Ų23.13%0.03314%0.138CC..THydrogen-bonded Turntrans-54.8129.3178.800000111.1G67 V68 T73 M103 I156G67-A71 WeakPolarHBondContact O-CA 3.23Å; G67-A71 WeakPolarHBondContact O-CB 3.18Å; G67-A71 PolarHBondContact O-N 3.22Å; G67-A71 VanDerWaalsContact O-N 3.08Å; V68-A71 PolarHBondContact O-N 3.05Å; A71-T73 PolarHBondContact O-N 2.93Å; A71-M103 HydrophobicContact CB-CB 4.28Å; A71-I156 HydrophobicContact CB-CB 4.03Å; A71-I156 HydrophobicContact CB-CG2 3.67Å
72G83.8Confident89.5Confident34 Ų3423.1 Ų23.135%0.35114%0.138SC..THydrogen-bonded Turntrans67.9-2.6-179.700000116.6C70 M103C70-G72 PolarHBondContact O-N 3.05Å; G72-M103 PolarHBondContact N-O 3.28Å
73T84.6Confident89.7Confident70 Ų7025.6 Ų25.643%0.42915%0.151SC..THydrogen-bonded Turntrans-84.5-17-178.465.30000114.1C70 A71 S75C70-T73 WeakPolarHBondContact CA-OG1 3.48Å; C70-T73 WeakPolarHBondContact CB-OG1 3.38Å; C70-T73 PolarHBondContact O-N 2.78Å; C70-T73 VanDerWaalsContact O-N 3.12Å; C70-T73 PolarHBondContact O-OG1 3.18Å; A71-T73 PolarHBondContact O-N 2.93Å; T73-S75 PolarHBondContact O-N 3.28Å
74A84.2Confident89.7Confident31 Ų3132.3 Ų32.326%0.25618%0.182SC..  trans53.131.1-173.600000114.6K76 C108A74-K76 PolarHBondContact O-N 3.04Å; A74-K76 VanDerWaalsContact O-N 3.16Å; A74-C108 WeakPolarHBondContact CB-SG 3.49Å
75S87.9Confident89.7Confident23 Ų2332.9 Ų32.916%0.16119%0.185CC..  trans-61117.9-176.8178.40000112.4T73 D77 A78 V79T73-S75 PolarHBondContact O-N 3.28Å; S75-D77 PolarHBondContact O-N 3.41Å; S75-A78 PolarHBondContact O-N 3.3Å; S75-V79 WeakPolarHBondContact O-CG2 3.38Å; S75-V79 PolarHBondContact O-N 2.86Å
76K89.3Confident89.8Confident139 Ų13934.4 Ų34.460%0.60419%0.193SC*.Hα-helixtrans-62.2-32.9-178.7-66.2-177.3-179.3177.40112.5A74 S80A74-K76 PolarHBondContact O-N 3.04Å; A74-K76 VanDerWaalsContact O-N 3.16Å; K76-S80 WeakPolarHBondContact O-CB 3.31Å; K76-S80 PolarHBondContact O-N 3.02Å
77D90.1Very high89.8Confident102 Ų10239.4 Ų39.455%0.54523%0.225SC..Hα-helixtrans-68.7-45.9179.4-67-14000110.2L44 S75 V79 S80 L81L44-D77 HydrophobicContact CD2-CB 3.46Å; L44-D77 VanDerWaalsContact CD2-CB 3.46Å; S75-D77 PolarHBondContact O-N 3.41Å; D77-V79 PolarHBondContact O-N 3.16Å; D77-S80 PolarHBondContact O-N 3.42Å; D77-S80 PolarHBondContact O-OG 3.29Å; D77-L81 PolarHBondContact O-N 3.49Å; D77-L81 VanDerWaalsContact O-N 3.16Å
78A90.6Very high89.8Confident0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-63.5-45.3179.600000110.9L44 C70 S75 S80 L81 L82 I104L44-A78 HydrophobicContact CD1-CB 3.5Å; L44-A78 HydrophobicContact CD2-CB 3.99Å; L44-A78 HydrophobicContact CG-CB 4.36Å; C70-A78 HydrophobicContact CB-CB 4.16Å; S75-A78 PolarHBondContact O-N 3.3Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 3.42Å; A78-L81 PolarHBondContact O-N 3.22Å; A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 WeakPolarHBondContact O-CG 2.94Å; A78-L82 PolarHBondContact O-N 3.3Å; A78-I104 HydrophobicContact CB-CD1 4.03Å
79V92.4Very high89.9Confident1 Ų148.6 Ų48.61%0.00627%0.269CS..Hα-helixtrans-57.6-46.1174.4165.70000111.1S75 D77 L81 L82 L83 L101 I104 Y105 K115S75-V79 WeakPolarHBondContact O-CG2 3.38Å; S75-V79 PolarHBondContact O-N 2.86Å; D77-V79 PolarHBondContact O-N 3.16Å; V79-L81 VanDerWaalsContact C-N 3.3Å; V79-L81 PolarHBondContact O-N 3.08Å; V79-L82 PolarHBondContact O-N 2.9Å; V79-L83 HydrophobicContact CG1-CD1 3.66Å; V79-L83 HydrophobicContact CG1-CG 4.09Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 WeakPolarHBondContact O-CG 3.12Å; V79-L83 PolarHBondContact O-N 3.37Å; V79-L101 HydrophobicContact CG2-CD2 4.43Å; V79-I104 HydrophobicContact CG2-CG2 3.79Å; V79-Y105 HydrophobicContact CG1-CE1 4.48Å; V79-Y105 HydrophobicContact CG1-CE2 4.27Å; V79-Y105 WeakPolarHBondContact CG1-OH 3.49Å; V79-Y105 HydrophobicContact CG2-CE1 4.08Å; V79-Y105 HydrophobicContact CG2-CE2 4.22Å; V79-K115 HydrophobicContact CG1-CD 4.36Å
80S91.9Very high90.2Very high43 Ų4350 Ų5030%0.30128%0.277SS..Hα-helixtrans-62.3-38.2-177.577.60000112.7K76 D77 A78 Q84K76-S80 WeakPolarHBondContact O-CB 3.31Å; K76-S80 PolarHBondContact O-N 3.02Å; D77-S80 PolarHBondContact O-N 3.42Å; D77-S80 PolarHBondContact O-OG 3.29Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 3.42Å; S80-Q84 WeakPolarHBondContact O-CG 3.45Å
81L92.4Very high90.3Very high32 Ų3251.1 Ų51.117%0.16829%0.285CS..Hα-helixtrans-70.8-46.9177.3-69.4171.1000111.4L44 M66 D77 A78 V79 L83 Q84L44-L81 HydrophobicContact CD2-CD1 4.43Å; L44-L81 HydrophobicContact CG-CD1 4.36Å; M66-L81 HydrophobicContact SD-CB 4.41Å; M66-L81 HydrophobicContact SD-CD1 4.3Å; D77-L81 PolarHBondContact O-N 3.49Å; D77-L81 VanDerWaalsContact O-N 3.16Å; A78-L81 PolarHBondContact O-N 3.22Å; V79-L81 VanDerWaalsContact C-N 3.3Å; V79-L81 PolarHBondContact O-N 3.08Å; L81-L83 PolarHBondContact O-N 3.18Å; L81-Q84 WeakPolarHBondContact O-CB 3.5Å; L81-Q84 PolarHBondContact O-N 3.14Å
82L93Very high90.5Very high0 Ų052.4 Ų52.40%029%0.29CS..Hα-helixtrans-66.7-36.2-179.8-77.2169.3000112.7A63 M66 A78 V79 Q84 M85 I86 V97 A100 L101 I104A63-L82 HydrophobicContact CB-CD2 3.74Å; M66-L82 HydrophobicContact CB-CD1 4.39Å; M66-L82 HydrophobicContact CE-CD2 3.56Å; M66-L82 HydrophobicContact CE-CG 3.79Å; A78-L82 WeakPolarHBondContact O-CB 3.26Å; A78-L82 WeakPolarHBondContact O-CG 2.94Å; A78-L82 PolarHBondContact O-N 3.3Å; V79-L82 PolarHBondContact O-N 2.9Å; L82-Q84 PolarHBondContact O-N 2.9Å; L82-M85 HydrophobicContact CD2-SD 4.46Å; L82-M85 WeakPolarHBondContact O-CB 3.22Å; L82-M85 PolarHBondContact O-N 3.49Å; L82-I86 PolarHBondContact O-N 3.2Å; L82-V97 HydrophobicContact CB-CG1 4.43Å; L82-V97 HydrophobicContact CD2-CG1 4.37Å; L82-V97 HydrophobicContact CD2-CG2 4.29Å; L82-V97 VanDerWaalsContact O-CG1 3.27Å; L82-V97 WeakPolarHBondContact O-CG1 3.29Å; L82-A100 HydrophobicContact CD1-CB 3.99Å; L82-A100 HydrophobicContact CD2-CB 4.13Å; L82-L101 HydrophobicContact CB-CD1 4.15Å; L82-L101 HydrophobicContact CB-CD2 3.53Å; L82-L101 HydrophobicContact CB-CG 3.7Å; L82-L101 HydrophobicContact CD1-CD2 3.92Å; L82-L101 HydrophobicContact CD1-CG 4.07Å; L82-L101 HydrophobicContact CG-CD2 4.39Å; L82-L101 HydrophobicContact CG-CG 4.46Å; L82-I104 HydrophobicContact CD1-CD1 3.34Å
83L92.4Very high91Very high52 Ų5250.8 Ų50.827%0.27227%0.273SS..Hα-helixtrans-60.9-32.4175.4-75175.1000112.3V79 L81 M85 I86 L101 K115V79-L83 HydrophobicContact CG1-CD1 3.66Å; V79-L83 HydrophobicContact CG1-CG 4.09Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 WeakPolarHBondContact O-CG 3.12Å; V79-L83 PolarHBondContact O-N 3.37Å; L81-L83 PolarHBondContact O-N 3.18Å; L83-M85 PolarHBondContact O-N 2.92Å; L83-I86 HydrophobicContact CD2-CD1 3.6Å; L83-I86 PolarHBondContact O-N 3.45Å; L83-L101 HydrophobicContact CD2-CD1 4.11Å; L83-K115 HydrophobicContact CD1-CD 4.05Å
84Q92.1Very high91.4Very high142 Ų14249.2 Ų49.266%0.66426%0.259SS*.Hα-helixtrans-70-20175-66.5170.921.700112.8S80 L81 L82 P87S80-Q84 WeakPolarHBondContact O-CG 3.45Å; L81-Q84 WeakPolarHBondContact O-CB 3.5Å; L81-Q84 PolarHBondContact O-N 3.14Å; L82-Q84 PolarHBondContact O-N 2.9Å; Q84-P87 WeakPolarHBondContact O-CD 3.28Å
85M92Very high91.9Very high13 Ų1347.8 Ų47.86%0.06425%0.247CC..THydrogen-bonded Turntrans-94.1-1.9179.8-59.4178.46600113.5T51 R59 A63 M66 L82 L83 D88 V93 V97T51-M85 HydrophobicContact CG2-CE 4.42Å; T51-M85 HydrophobicContact CG2-SD 3.59Å; T51-M85 VanDerWaalsContact CG2-SD 3.59Å; R59-M85 HydrophobicContact CB-CE 3.86Å; R59-M85 WeakPolarHBondContact O-CE 3.47Å; A63-M85 HydrophobicContact CB-CE 4.19Å; M66-M85 HydrophobicContact CE-SD 4.33Å; L82-M85 HydrophobicContact CD2-SD 4.46Å; L82-M85 WeakPolarHBondContact O-CB 3.22Å; L82-M85 PolarHBondContact O-N 3.49Å; L83-M85 PolarHBondContact O-N 2.92Å; M85-D88 WeakPolarHBondContact O-CB 3.46Å; M85-D88 PolarHBondContact O-N 2.97Å; M85-V93 HydrophobicContact CE-CG1 3.89Å; M85-V97 HydrophobicContact CB-CG1 4.37Å; M85-V97 HydrophobicContact CB-CG2 3.53Å; M85-V97 HydrophobicContact CE-CG2 4.18Å; M85-V97 HydrophobicContact SD-CG2 4.47Å
86I91.5Very high92.2Very high32 Ų3246.7 Ų46.716%0.16424%0.24CC..THydrogen-bonded Turntrans-60-46.2174.2-69.1177000112.5L82 L83 D88 R94 V97 F98 L101 F119 T122L82-I86 PolarHBondContact O-N 3.2Å; L83-I86 HydrophobicContact CD2-CD1 3.6Å; L83-I86 PolarHBondContact O-N 3.45Å; I86-D88 PolarHBondContact O-N 3.49Å; I86-D88 VanDerWaalsContact O-N 3.12Å; I86-R94 WeakPolarHBondContact O-CD 3.36Å; I86-R94 WeakPolarHBondContact O-CG 3.4Å; I86-V97 HydrophobicContact CG1-CG1 3.82Å; I86-F98 HydrophobicContact CG1-CE1 4.36Å; I86-F98 HydrophobicContact CG2-CE1 4.09Å; I86-F98 HydrophobicContact CG2-CZ 4.39Å; I86-L101 HydrophobicContact CD1-CD1 3.91Å; I86-L101 HydrophobicContact CG1-CD1 4.17Å; I86-F119 HydrophobicContact CD1-CD2 4.44Å; I86-T122 HydrophobicContact CG2-CG2 4.44Å
87P91.5Very high92.5Very high105 Ų10540.1 Ų40.168%0.68221%0.211SC*.THydrogen-bonded Turntrans-82.527.818035.8-37.6000113.2Q84Q84-P87 WeakPolarHBondContact O-CD 3.28Å
88D91.4Very high92.7Very high14 Ų1435.4 Ų35.48%0.07519%0.186CC..  trans-62141.9177.3-158.5-72.4000111.2R59 M85 I86 T90 V93 R94R59-D88 VanDerWaalsContact CZ-CG 3.48Å; R59-D88 IonicContact CZ-OD1 3.75Å; R59-D88 VanDerWaalsContact CZ-OD1 3.3Å; R59-D88 IonicContact CZ-OD2 3.44Å; R59-D88 IonicContact NE-OD2 3.41Å; R59-D88 PolarHBondContact NE-OD2 3.32Å; R59-D88 IonicContact NH1-OD1 2.88Å; R59-D88 IonicContact NH1-OD2 2.81Å; R59-D88 PolarHBondContact NH1-OD2 3.45Å; R59-D88 IonicContact NH2-OD1 3.3Å; R59-D88 PolarHBondContact NH2-OD1 3.19Å; R59-D88 IonicContact NH2-OD2 2.9Å; R59-D88 PolarHBondContact NH2-OD2 2.93Å; M85-D88 WeakPolarHBondContact O-CB 3.46Å; M85-D88 PolarHBondContact O-N 2.97Å; I86-D88 PolarHBondContact O-N 3.49Å; I86-D88 VanDerWaalsContact O-N 3.12Å; D88-T90 PolarHBondContact O-N 3.2Å; D88-T90 WeakPolarHBondContact OD1-CB 3.47Å; D88-T90 PolarHBondContact OD1-N 3.32Å; D88-V93 HydrophobicContact CB-CB 4.23Å; D88-V93 HydrophobicContact CB-CG1 4.05Å; D88-R94 HydrophobicContact CB-CG 4.11Å; D88-R94 WeakPolarHBondContact O-CD 3.12Å
89E91.3Very high93Very high181 Ų18135.4 Ų35.485%0.84619%0.186SC*.SBendtrans-62.7-28.5177.4-63.6178.5176.500112
90T93.4Very high93Very high31 Ų3135.4 Ų35.419%0.1919%0.185CC..SBendtrans-95.1116.5-173.8-52.80000111.6P56 D88 F92 V93 R94P56-T90 HydrophobicContact CB-CG2 3.91Å; D88-T90 PolarHBondContact O-N 3.2Å; D88-T90 WeakPolarHBondContact OD1-CB 3.47Å; D88-T90 PolarHBondContact OD1-N 3.32Å; T90-F92 VanDerWaalsContact C-N 3.29Å; T90-F92 HydrophobicContact CG2-CD1 3.25Å; T90-F92 HydrophobicContact CG2-CD2 4.16Å; T90-F92 HydrophobicContact CG2-CE1 3.08Å; T90-F92 HydrophobicContact CG2-CE2 4.01Å; T90-F92 HydrophobicContact CG2-CG 3.81Å; T90-F92 HydrophobicContact CG2-CZ 3.5Å; T90-F92 PolarHBondContact O-N 3.32Å; T90-V93 HydrophobicContact CG2-CG2 3.99Å; T90-V93 WeakPolarHBondContact O-CB 3.35Å; T90-V93 PolarHBondContact O-N 3.12Å; T90-R94 PolarHBondContact O-N 3.12Å
91S92.3Very high93.2Very high24 Ų2433.3 Ų33.317%0.16817%0.171CC..Hα-helixtrans-59.4-35.2-173.3-29.80000113.8R94 Q95 D133S91-R94 WeakPolarHBondContact O-CB 3.48Å; S91-R94 PolarHBondContact O-N 3.39Å; S91-Q95 PolarHBondContact O-N 3.15Å; S91-D133 WeakPolarHBondContact CB-OD2 3.13Å; S91-D133 PolarHBondContact OG-OD2 2.71Å
92F92.7Very high93.2Very high32 Ų3231.8 Ų31.814%0.1416%0.163CC..Hα-helixtrans-73-28.6177.268.3-105.2000113.2P56 Y60 T90 Q95 G96 L135 W180P56-F92 HydrophobicContact CB-CE1 4.42Å; P56-F92 HydrophobicContact CB-CE2 3.93Å; P56-F92 HydrophobicContact CB-CZ 3.54Å; P56-F92 HydrophobicContact CG-CZ 3.79Å; Y60-F92 HydrophobicContact CD2-CD2 4.22Å; Y60-F92 WeakPolarHBondContact CD2-O 3.41Å; Y60-F92 WeakPolarHBondContact CE2-O 3.38Å; Y60-F92 HydrophobicContact CG-CD2 4.24Å; T90-F92 VanDerWaalsContact C-N 3.29Å; T90-F92 HydrophobicContact CG2-CD1 3.25Å; T90-F92 HydrophobicContact CG2-CD2 4.16Å; T90-F92 HydrophobicContact CG2-CE1 3.08Å; T90-F92 HydrophobicContact CG2-CE2 4.01Å; T90-F92 HydrophobicContact CG2-CG 3.81Å; T90-F92 HydrophobicContact CG2-CZ 3.5Å; T90-F92 PolarHBondContact O-N 3.32Å; F92-Q95 WeakPolarHBondContact O-CB 3.39Å; F92-Q95 PolarHBondContact O-N 3.41Å; F92-G96 PolarHBondContact O-N 2.92Å; F92-L135 HydrophobicContact CB-CD1 4.43Å; F92-W180 HydrophobicContact CB-CH2 3.35Å; F92-W180 HydrophobicContact CB-CZ3 3.45Å; F92-W180 VanDerWaalsContact CB-CZ3 3.45Å; F92-W180 HydrophobicContact CD1-CH2 4.22Å; F92-W180 HydrophobicContact CD2-CH2 4.49Å; F92-W180 AromaticContact CG-CH2 3.83Å; F92-W180 HydrophobicContact CG-CH2 3.83Å; F92-W180 HydrophobicContact CG-CZ3 4.25Å
93V93.5Very high93.3Very high0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-65.9-45.7171.71800000108.8P56 R59 M85 D88 T90 Q95 G96 V97P56-V93 HydrophobicContact CB-CG2 3.86Å; P56-V93 WeakPolarHBondContact O-CG2 3.24Å; R59-V93 HydrophobicContact CB-CG1 3.95Å; R59-V93 HydrophobicContact CB-CG2 4.21Å; M85-V93 HydrophobicContact CE-CG1 3.89Å; D88-V93 HydrophobicContact CB-CB 4.23Å; D88-V93 HydrophobicContact CB-CG1 4.05Å; T90-V93 HydrophobicContact CG2-CG2 3.99Å; T90-V93 WeakPolarHBondContact O-CB 3.35Å; T90-V93 PolarHBondContact O-N 3.12Å; V93-Q95 VanDerWaalsContact C-N 3.31Å; V93-Q95 PolarHBondContact O-N 2.89Å; V93-G96 PolarHBondContact O-N 3.28Å; V93-G96 VanDerWaalsContact O-N 3.11Å; V93-V97 HydrophobicContact CG1-CG2 4.35Å; V93-V97 VanDerWaalsContact O-CG2 3.28Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.4Å
94R94.3Very high93.3Very high37 Ų3729.3 Ų29.314%0.1415%0.15CC..Hα-helixtrans-56.9-43.9174.1-57.9-164.2-58.7-139.28.8112.2I86 D88 T90 S91 G96 V97 F98 E132 D133I86-R94 WeakPolarHBondContact O-CD 3.36Å; I86-R94 WeakPolarHBondContact O-CG 3.4Å; D88-R94 HydrophobicContact CB-CG 4.11Å; D88-R94 WeakPolarHBondContact O-CD 3.12Å; T90-R94 PolarHBondContact O-N 3.12Å; S91-R94 WeakPolarHBondContact O-CB 3.48Å; S91-R94 PolarHBondContact O-N 3.39Å; R94-G96 PolarHBondContact O-N 3.49Å; R94-V97 PolarHBondContact O-N 3.22Å; R94-F98 HydrophobicContact CB-CE2 4.21Å; R94-F98 VanDerWaalsContact O-CD2 3.22Å; R94-F98 WeakPolarHBondContact O-CD2 3.37Å; R94-F98 WeakPolarHBondContact O-CG 3.46Å; R94-F98 PolarHBondContact O-N 3.06Å; R94-E132 IonicContact CZ-OE2 2.89Å; R94-E132 IonicContact NH2-OE2 2.85Å; R94-E132 PolarHBondContact NH2-OE2 2.88Å; R94-D133 IonicContact CZ-OD2 3.26Å; R94-D133 IonicContact NH2-OD2 3.62Å; R94-D133 PolarHBondContact NH2-OD2 3.43Å
95Q94.3Very high93.3Very high1 Ų122.9 Ų22.91%0.00512%0.12CC..Hα-helixtrans-54.6-49.7174-178.6-165.2-8.500111.6S91 F92 V93 V97 F98 I99 L135 F138S91-Q95 PolarHBondContact O-N 3.15Å; F92-Q95 WeakPolarHBondContact O-CB 3.39Å; F92-Q95 PolarHBondContact O-N 3.41Å; V93-Q95 VanDerWaalsContact C-N 3.31Å; V93-Q95 PolarHBondContact O-N 2.89Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.43Å; Q95-F98 PolarHBondContact O-N 3.41Å; Q95-I99 HydrophobicContact CG-CD1 4.19Å; Q95-I99 WeakPolarHBondContact O-CG1 3.22Å; Q95-I99 PolarHBondContact O-N 2.97Å; Q95-I99 VanDerWaalsContact O-N 3.15Å; Q95-L135 WeakPolarHBondContact CB-O 3.46Å; Q95-L135 WeakPolarHBondContact CG-O 3.36Å; Q95-F138 VanDerWaalsContact NE2-CD1 3.32Å
96G94Very high93.2Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-62.9-39.417800000112.9F92 V93 R94 I99 A100F92-G96 PolarHBondContact O-N 2.92Å; V93-G96 PolarHBondContact O-N 3.28Å; V93-G96 VanDerWaalsContact O-N 3.11Å; R94-G96 PolarHBondContact O-N 3.49Å; G96-I99 PolarHBondContact O-N 3.09Å; G96-A100 VanDerWaalsContact O-CB 3.24Å; G96-A100 WeakPolarHBondContact O-CB 3.5Å; G96-A100 PolarHBondContact O-N 2.9Å
97V95.1Very high93Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-64.4-43.9177.2171.90000111.5A63 L82 M85 I86 V93 R94 Q95 A100 L101A63-V97 HydrophobicContact CB-CG2 3.86Å; L82-V97 HydrophobicContact CB-CG1 4.43Å; L82-V97 HydrophobicContact CD2-CG1 4.37Å; L82-V97 HydrophobicContact CD2-CG2 4.29Å; L82-V97 VanDerWaalsContact O-CG1 3.27Å; L82-V97 WeakPolarHBondContact O-CG1 3.29Å; M85-V97 HydrophobicContact CB-CG1 4.37Å; M85-V97 HydrophobicContact CB-CG2 3.53Å; M85-V97 HydrophobicContact CE-CG2 4.18Å; M85-V97 HydrophobicContact SD-CG2 4.47Å; I86-V97 HydrophobicContact CG1-CG1 3.82Å; V93-V97 HydrophobicContact CG1-CG2 4.35Å; V93-V97 VanDerWaalsContact O-CG2 3.28Å; V93-V97 WeakPolarHBondContact O-CG2 3.38Å; V93-V97 PolarHBondContact O-N 3.4Å; R94-V97 PolarHBondContact O-N 3.22Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.43Å; V97-A100 PolarHBondContact O-N 3.49Å; V97-L101 HydrophobicContact CG1-CD1 3.87Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CB 3.48Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 2.78Å
98F95.7Very high92.7Very high4 Ų420.2 Ų20.22%0.01810%0.1CC..Hα-helixtrans-62.5-43.8176.8-67.1-39.7000112.1I86 R94 Q95 S102 F119 T122 L123 T126 A136 A140I86-F98 HydrophobicContact CG1-CE1 4.36Å; I86-F98 HydrophobicContact CG2-CE1 4.09Å; I86-F98 HydrophobicContact CG2-CZ 4.39Å; R94-F98 HydrophobicContact CB-CE2 4.21Å; R94-F98 VanDerWaalsContact O-CD2 3.22Å; R94-F98 WeakPolarHBondContact O-CD2 3.37Å; R94-F98 WeakPolarHBondContact O-CG 3.46Å; R94-F98 PolarHBondContact O-N 3.06Å; Q95-F98 PolarHBondContact O-N 3.41Å; F98-S102 WeakPolarHBondContact O-CB 3.39Å; F98-S102 PolarHBondContact O-N 3.47Å; F98-S102 PolarHBondContact O-OG 3.11Å; F98-F119 HydrophobicContact CD1-CE2 4.07Å; F98-T122 HydrophobicContact CE1-CG2 4.39Å; F98-L123 HydrophobicContact CB-CD2 3.86Å; F98-L123 HydrophobicContact CD1-CD2 3.73Å; F98-L123 HydrophobicContact CE1-CD2 4.44Å; F98-L123 HydrophobicContact CG-CD2 3.85Å; F98-T126 HydrophobicContact CE2-CG2 4.02Å; F98-T126 HydrophobicContact CZ-CG2 4.3Å; F98-A136 HydrophobicContact CE2-CB 4.41Å; F98-A140 HydrophobicContact CD2-CB 4.14Å; F98-A140 HydrophobicContact CE2-CB 4.47Å
99I95.1Very high92.3Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-63.6-47.8176.5-67169.8000110.4M64 Q95 G96 S102 M103 I142 I146 F176 M179M64-I99 HydrophobicContact CE-CB 4.25Å; M64-I99 HydrophobicContact CE-CD1 4.5Å; M64-I99 HydrophobicContact CE-CG2 3.94Å; M64-I99 HydrophobicContact SD-CG2 4.23Å; Q95-I99 HydrophobicContact CG-CD1 4.19Å; Q95-I99 WeakPolarHBondContact O-CG1 3.22Å; Q95-I99 PolarHBondContact O-N 2.97Å; Q95-I99 VanDerWaalsContact O-N 3.15Å; G96-I99 PolarHBondContact O-N 3.09Å; I99-S102 WeakPolarHBondContact O-CB 3.45Å; I99-S102 PolarHBondContact O-N 2.89Å; I99-M103 HydrophobicContact CG2-CE 3.94Å; I99-M103 WeakPolarHBondContact O-CG 3.49Å; I99-M103 PolarHBondContact O-N 3.44Å; I99-I142 HydrophobicContact CD1-CG2 4.3Å; I99-I142 HydrophobicContact CG1-CB 4.45Å; I99-I142 HydrophobicContact CG1-CG2 4.06Å; I99-I146 HydrophobicContact CG2-CD1 3.96Å; I99-F176 HydrophobicContact CG2-CE1 3.74Å; I99-F176 HydrophobicContact CG2-CZ 3.69Å; I99-M179 HydrophobicContact CD1-CE 4.04Å
100A94.3Very high91.9Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-62.5-46-178.800000112.9A63 L82 G96 V97 S102 M103 I104A63-A100 WeakPolarHBondContact O-CB 3.35Å; L82-A100 HydrophobicContact CD1-CB 3.99Å; L82-A100 HydrophobicContact CD2-CB 4.13Å; G96-A100 VanDerWaalsContact O-CB 3.24Å; G96-A100 WeakPolarHBondContact O-CB 3.5Å; G96-A100 PolarHBondContact O-N 2.9Å; V97-A100 PolarHBondContact O-N 3.49Å; A100-S102 VanDerWaalsContact C-N 3.27Å; A100-S102 PolarHBondContact O-N 2.97Å; A100-M103 PolarHBondContact O-N 3.01Å; A100-I104 WeakPolarHBondContact O-CG1 3.33Å; A100-I104 PolarHBondContact O-N 3.32Å; A100-I104 VanDerWaalsContact O-N 3.12Å
101L94.5Very high91.5Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-61.7-37.6174.9-79.2171.4000111.6V79 L82 L83 I86 V97 I104 Y105 F119V79-L101 HydrophobicContact CG2-CD2 4.43Å; L82-L101 HydrophobicContact CB-CD1 4.15Å; L82-L101 HydrophobicContact CB-CD2 3.53Å; L82-L101 HydrophobicContact CB-CG 3.7Å; L82-L101 HydrophobicContact CD1-CD2 3.92Å; L82-L101 HydrophobicContact CD1-CG 4.07Å; L82-L101 HydrophobicContact CG-CD2 4.39Å; L82-L101 HydrophobicContact CG-CG 4.46Å; L83-L101 HydrophobicContact CD2-CD1 4.11Å; I86-L101 HydrophobicContact CD1-CD1 3.91Å; I86-L101 HydrophobicContact CG1-CD1 4.17Å; V97-L101 HydrophobicContact CG1-CD1 3.87Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CB 3.48Å; V97-L101 WeakPolarHBondContact O-CG 3.38Å; V97-L101 PolarHBondContact O-N 2.78Å; L101-I104 PolarHBondContact O-N 2.9Å; L101-Y105 HydrophobicContact CB-CD2 4.36Å; L101-Y105 HydrophobicContact CD2-CD2 4.42Å; L101-Y105 HydrophobicContact CD2-CE2 4.01Å; L101-Y105 WeakPolarHBondContact O-CB 3.32Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 2.85Å; L101-Y105 PolarHBondContact O-N 3.1Å; L101-F119 HydrophobicContact CB-CD1 4.47Å; L101-F119 HydrophobicContact CB-CD2 4.19Å; L101-F119 HydrophobicContact CB-CE1 3.81Å; L101-F119 HydrophobicContact CB-CE2 3.5Å; L101-F119 VanDerWaalsContact CB-CE2 3.5Å; L101-F119 HydrophobicContact CB-CZ 3.28Å; L101-F119 HydrophobicContact CD1-CD2 3.74Å; L101-F119 HydrophobicContact CD1-CE2 3.41Å; L101-F119 VanDerWaalsContact CD1-CE2 3.41Å; L101-F119 HydrophobicContact CD1-CZ 4.14Å; L101-F119 HydrophobicContact CG-CE2 4.08Å; L101-F119 HydrophobicContact CG-CZ 4.34Å
102S94Very high91.1Very high0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-66.3-37.2178.1-57.10000112.4F98 I99 A100 M106 G143F98-S102 WeakPolarHBondContact O-CB 3.39Å; F98-S102 PolarHBondContact O-N 3.47Å; F98-S102 PolarHBondContact O-OG 3.11Å; I99-S102 WeakPolarHBondContact O-CB 3.45Å; I99-S102 PolarHBondContact O-N 2.89Å; A100-S102 VanDerWaalsContact C-N 3.27Å; A100-S102 PolarHBondContact O-N 2.97Å; S102-M106 PolarHBondContact O-N 3.41Å; S102-G143 WeakPolarHBondContact CB-O 3.49Å; S102-G143 WeakPolarHBondContact OG-CA 3.03Å; S102-G143 PolarHBondContact OG-O 2.9Å
103M93.1Very high90.7Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-65.1-39.2172.8-67.9-178.9173.200112.6V68 A71 G72 I99 A100 I146 I156 L173 F176 L189V68-M103 HydrophobicContact CG2-SD 4.43Å; A71-M103 HydrophobicContact CB-CB 4.28Å; G72-M103 PolarHBondContact N-O 3.28Å; I99-M103 HydrophobicContact CG2-CE 3.94Å; I99-M103 WeakPolarHBondContact O-CG 3.49Å; I99-M103 PolarHBondContact O-N 3.44Å; A100-M103 PolarHBondContact O-N 3.01Å; M103-I146 HydrophobicContact CE-CD1 4.35Å; M103-I146 HydrophobicContact CG-CD1 4.43Å; M103-I146 HydrophobicContact CG-CG2 4.22Å; M103-I156 HydrophobicContact CB-CD1 4.35Å; M103-I156 HydrophobicContact CE-CD1 4.47Å; M103-I156 HydrophobicContact CG-CD1 3.86Å; M103-I156 HydrophobicContact SD-CD1 4.48Å; M103-L173 HydrophobicContact CE-CD2 4.33Å; M103-F176 HydrophobicContact CE-CD1 3.54Å; M103-F176 HydrophobicContact CE-CE1 3.08Å; M103-F176 HydrophobicContact CE-CZ 3.8Å; M103-L189 HydrophobicContact CE-CD1 4.12Å
104I92.5Very high90.3Very high0 Ų034.8 Ų34.80%019%0.185CC..Hα-helixtrans-72.8-40.3-179.2-65164.2000111.2C70 A78 V79 L82 A100 L101 M106C70-I104 HydrophobicContact CB-CD1 4.14Å; C70-I104 HydrophobicContact CB-CG1 3.89Å; A78-I104 HydrophobicContact CB-CD1 4.03Å; V79-I104 HydrophobicContact CG2-CG2 3.79Å; L82-I104 HydrophobicContact CD1-CD1 3.34Å; A100-I104 WeakPolarHBondContact O-CG1 3.33Å; A100-I104 PolarHBondContact O-N 3.32Å; A100-I104 VanDerWaalsContact O-N 3.12Å; L101-I104 PolarHBondContact O-N 2.9Å; I104-M106 VanDerWaalsContact C-N 3.27Å; I104-M106 PolarHBondContact O-N 2.95Å
105Y92.1Very high90Very high6 Ų637 Ų372%0.02420%0.195CC..THydrogen-bonded Turntrans-83.34.7179.8-78.5-56.6000114.4V79 L101 Q107 C108 D113 K115 F119V79-Y105 HydrophobicContact CG1-CE1 4.48Å; V79-Y105 HydrophobicContact CG1-CE2 4.27Å; V79-Y105 WeakPolarHBondContact CG1-OH 3.49Å; V79-Y105 HydrophobicContact CG2-CE1 4.08Å; V79-Y105 HydrophobicContact CG2-CE2 4.22Å; L101-Y105 HydrophobicContact CB-CD2 4.36Å; L101-Y105 HydrophobicContact CD2-CD2 4.42Å; L101-Y105 HydrophobicContact CD2-CE2 4.01Å; L101-Y105 WeakPolarHBondContact O-CB 3.32Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 2.85Å; L101-Y105 PolarHBondContact O-N 3.1Å; Y105-Q107 PolarHBondContact O-N 3.49Å; Y105-C108 HydrophobicContact CD1-CB 4Å; Y105-C108 VanDerWaalsContact O-CB 3.24Å; Y105-C108 WeakPolarHBondContact O-CB 3.46Å; Y105-C108 PolarHBondContact O-N 3.21Å; Y105-D113 HydrophobicContact CE1-CB 4.43Å; Y105-K115 VanDerWaalsContact OH-CB 3.23Å; Y105-K115 WeakPolarHBondContact OH-CB 3.19Å; Y105-F119 HydrophobicContact CD2-CB 4.39Å; Y105-F119 AromaticContact CD2-CD1 3.58Å; Y105-F119 HydrophobicContact CD2-CD1 3.58Å; Y105-F119 HydrophobicContact CD2-CE1 4.08Å; Y105-F119 HydrophobicContact CD2-CG 4.07Å; Y105-F119 HydrophobicContact CE2-CB 3.97Å; Y105-F119 AromaticContact CE2-CD1 3.97Å; Y105-F119 HydrophobicContact CE2-CD1 3.97Å; Y105-F119 AromaticContact CE2-CG 3.96Å; Y105-F119 HydrophobicContact CE2-CG 3.96Å
106M90.8Very high89.7Confident3 Ų337.7 Ų37.72%0.01520%0.2CC..THydrogen-bonded Turntrans-61.8133.6177.8-161.71595600110.2S102 I104 C108 I146 A149 I156 L193S102-M106 PolarHBondContact O-N 3.41Å; I104-M106 VanDerWaalsContact C-N 3.27Å; I104-M106 PolarHBondContact O-N 2.95Å; M106-C108 PolarHBondContact O-N 3.36Å; M106-I146 HydrophobicContact SD-CG2 4.16Å; M106-A149 HydrophobicContact SD-CB 4.17Å; M106-I156 HydrophobicContact CE-CB 3.58Å; M106-I156 HydrophobicContact CE-CD1 3.67Å; M106-I156 HydrophobicContact CE-CG1 3.36Å; M106-L193 HydrophobicContact CE-CD2 4.39Å; M106-L193 HydrophobicContact SD-CD2 4.33Å
107Q86.9Confident89.4Confident68 Ų6840 Ų4032%0.31821%0.212SC..THydrogen-bonded Turntrans62.410.4-172.2-47.2-168.8-49.800116.1Y105 S152 A154 T196Y105-Q107 PolarHBondContact O-N 3.49Å; Q107-S152 PolarHBondContact NE2-O 3.09Å; Q107-A154 WeakPolarHBondContact CG-O 3.37Å; Q107-A154 PolarHBondContact NE2-O 3.04Å; Q107-T196 PolarHBondContact NE2-OG1 3.35Å
108C86.2Confident89.3Confident23 Ų2346.9 Ų46.916%0.15524%0.242CC..  trans-84.3119.8176.2-66.80000111.3A74 Y105 M106A74-C108 WeakPolarHBondContact CB-SG 3.49Å; Y105-C108 HydrophobicContact CD1-CB 4Å; Y105-C108 VanDerWaalsContact O-CB 3.24Å; Y105-C108 WeakPolarHBondContact O-CB 3.46Å; Y105-C108 PolarHBondContact O-N 3.21Å; M106-C108 PolarHBondContact O-N 3.36Å
109N82.9Confident89.1Confident105 Ų10546.8 Ų46.856%0.56124%0.242SC*.  trans-89165.8173.2-65.8-11.4000111.4T111 M112 D113N109-T111 PolarHBondContact O-N 3.13Å; N109-T111 VanDerWaalsContact O-N 3.17Å; N109-M112 PolarHBondContact O-N 2.96Å; N109-D113 PolarHBondContact O-N 3.32Å
110E83.1Confident89Confident120 Ų12052.1 Ų52.156%0.56126%0.262SS*.THydrogen-bonded Turntrans-57.9-29.1175.9-174.7173.7-168.400112.7M112 D113 L117E110-M112 VanDerWaalsContact C-N 3.33Å; E110-M112 PolarHBondContact O-N 3.27Å; E110-D113 CarbonylContact O-C 3.13Å; E110-L117 WeakPolarHBondContact OE1-CD2 3.4Å
111T84.4Confident88.9Confident129 Ų12959.8 Ų59.879%0.79129%0.291SS*.THydrogen-bonded Turntrans-68.9-28.5176.653.70000113.4N109N109-T111 PolarHBondContact O-N 3.13Å; N109-T111 VanDerWaalsContact O-N 3.17Å
112M83.2Confident88.9Confident134 Ų13461.3 Ų61.366%0.6630%0.3SS*.THydrogen-bonded Turntrans-82.8-45.9-178.9-66.3-69.7-78.800111.1N109 E110N109-M112 PolarHBondContact O-N 2.96Å; E110-M112 VanDerWaalsContact C-N 3.33Å; E110-M112 PolarHBondContact O-N 3.27Å
113D84.3Confident88.9Confident18 Ų1861.3 Ų61.310%0.09630%0.3CS..  trans-149.1117.3172.9-172.62.3000110.5Y105 N109 E110 K115 S116Y105-D113 HydrophobicContact CE1-CB 4.43Å; N109-D113 PolarHBondContact O-N 3.32Å; E110-D113 CarbonylContact O-C 3.13Å; D113-K115 PolarHBondContact O-N 3.39Å; D113-K115 VanDerWaalsContact O-N 3.11Å; D113-K115 WeakPolarHBondContact OD1-CB 3.28Å; D113-K115 WeakPolarHBondContact OD1-CG 3.23Å; D113-K115 PolarHBondContact OD1-N 3.41Å; D113-S116 WeakPolarHBondContact O-CB 3.48Å; D113-S116 PolarHBondContact O-N 2.73Å; D113-S116 VanDerWaalsContact O-N 3.1Å; D113-S116 PolarHBondContact O-OG 2.97Å
114P86.8Confident88.9Confident83 Ų8366 Ų6654%0.53933%0.325SS..THydrogen-bonded Turntrans-64.2-14.9176.926.8-36.2000113.3S116P114-S116 VanDerWaalsContact C-N 3.27Å; P114-S116 PolarHBondContact O-N 3.49Å
115K87.2Confident89Confident83 Ų8372.6 Ų72.636%0.36135%0.349SS..Hα-helixtrans-69.5-23.7174.7-63174.4-176.8175.20112.7V79 L83 Y105 D113 L117 K118 F119V79-K115 HydrophobicContact CG1-CD 4.36Å; L83-K115 HydrophobicContact CD1-CD 4.05Å; Y105-K115 VanDerWaalsContact OH-CB 3.23Å; Y105-K115 WeakPolarHBondContact OH-CB 3.19Å; D113-K115 PolarHBondContact O-N 3.39Å; D113-K115 VanDerWaalsContact O-N 3.11Å; D113-K115 WeakPolarHBondContact OD1-CB 3.28Å; D113-K115 WeakPolarHBondContact OD1-CG 3.23Å; D113-K115 PolarHBondContact OD1-N 3.41Å; K115-L117 VanDerWaalsContact C-N 3.31Å; K115-L117 PolarHBondContact O-N 3.31Å; K115-K118 PolarHBondContact O-N 3.19Å; K115-F119 WeakPolarHBondContact O-CB 3.32Å; K115-F119 PolarHBondContact O-N 3.27Å
116S87.2Confident89.1Confident15 Ų1572.6 Ų72.611%0.10535%0.35CS..Hα-helixtrans-59.1-43177.7660000111.5D113 P114 K118 F119 R120D113-S116 WeakPolarHBondContact O-CB 3.48Å; D113-S116 PolarHBondContact O-N 2.73Å; D113-S116 VanDerWaalsContact O-N 3.1Å; D113-S116 PolarHBondContact O-OG 2.97Å; P114-S116 VanDerWaalsContact C-N 3.27Å; P114-S116 PolarHBondContact O-N 3.49Å; S116-K118 PolarHBondContact O-N 3.07Å; S116-F119 WeakPolarHBondContact O-CB 3.38Å; S116-F119 PolarHBondContact O-N 2.97Å; S116-R120 PolarHBondContact O-N 3.45Å
117L89.2Confident89.2Confident48 Ų4875.3 Ų75.325%0.25136%0.364SS..Hα-helixtrans-66.5-39.8178-173.965.2000111.9E110 K115 R120 R121E110-L117 WeakPolarHBondContact OE1-CD2 3.4Å; K115-L117 VanDerWaalsContact C-N 3.31Å; K115-L117 PolarHBondContact O-N 3.31Å; L117-R120 PolarHBondContact O-N 3.01Å; L117-R121 WeakPolarHBondContact O-CG 3.38Å; L117-R121 PolarHBondContact O-N 2.94Å
118K91.5Very high89.6Confident145 Ų14576 Ų7663%0.6338%0.376SS*.Hα-helixtrans-62.2-45.2174.5-67.1-176.2-179-179.90110.7K115 S116 R121 T122K115-K118 PolarHBondContact O-N 3.19Å; S116-K118 PolarHBondContact O-N 3.07Å; K118-R121 PolarHBondContact O-N 3.05Å; K118-T122 PolarHBondContact O-N 3.02Å; K118-T122 PolarHBondContact O-OG1 2.77Å; K118-T122 VanDerWaalsContact O-OG1 3.09Å
119F92.5Very high89.9Confident3 Ų378.1 Ų78.11%0.01338%0.384CS..Hα-helixtrans-60.6-45.7177175.1-112.4000112.1I86 F98 L101 Y105 K115 S116 R121 T122 L123 L147I86-F119 HydrophobicContact CD1-CD2 4.44Å; F98-F119 HydrophobicContact CD1-CE2 4.07Å; L101-F119 HydrophobicContact CB-CD1 4.47Å; L101-F119 HydrophobicContact CB-CD2 4.19Å; L101-F119 HydrophobicContact CB-CE1 3.81Å; L101-F119 HydrophobicContact CB-CE2 3.5Å; L101-F119 VanDerWaalsContact CB-CE2 3.5Å; L101-F119 HydrophobicContact CB-CZ 3.28Å; L101-F119 HydrophobicContact CD1-CD2 3.74Å; L101-F119 HydrophobicContact CD1-CE2 3.41Å; L101-F119 VanDerWaalsContact CD1-CE2 3.41Å; L101-F119 HydrophobicContact CD1-CZ 4.14Å; L101-F119 HydrophobicContact CG-CE2 4.08Å; L101-F119 HydrophobicContact CG-CZ 4.34Å; Y105-F119 HydrophobicContact CD2-CB 4.39Å; Y105-F119 AromaticContact CD2-CD1 3.58Å; Y105-F119 HydrophobicContact CD2-CD1 3.58Å; Y105-F119 HydrophobicContact CD2-CE1 4.08Å; Y105-F119 HydrophobicContact CD2-CG 4.07Å; Y105-F119 HydrophobicContact CE2-CB 3.97Å; Y105-F119 AromaticContact CE2-CD1 3.97Å; Y105-F119 HydrophobicContact CE2-CD1 3.97Å; Y105-F119 AromaticContact CE2-CG 3.96Å; Y105-F119 HydrophobicContact CE2-CG 3.96Å; K115-F119 WeakPolarHBondContact O-CB 3.32Å; K115-F119 PolarHBondContact O-N 3.27Å; S116-F119 WeakPolarHBondContact O-CB 3.38Å; S116-F119 PolarHBondContact O-N 2.97Å; F119-R121 VanDerWaalsContact C-N 3.3Å; F119-R121 PolarHBondContact O-N 2.75Å; F119-T122 WeakPolarHBondContact O-CA 3.36Å; F119-T122 WeakPolarHBondContact O-CB 3.26Å; F119-T122 PolarHBondContact O-N 2.99Å; F119-L123 HydrophobicContact CD1-CD1 4.1Å; F119-L123 HydrophobicContact CE1-CD1 3.5Å; F119-L123 HydrophobicContact CE1-CD2 4.49Å; F119-L123 HydrophobicContact CE1-CG 4.08Å; F119-L123 HydrophobicContact CE2-CD1 4.41Å; F119-L123 HydrophobicContact CE2-CD2 4.09Å; F119-L123 HydrophobicContact CE2-CG 4.09Å; F119-L123 HydrophobicContact CZ-CD1 3.67Å; F119-L123 HydrophobicContact CZ-CD2 3.8Å; F119-L123 HydrophobicContact CZ-CG 3.81Å; F119-L123 PolarHBondContact O-N 3.2Å; F119-L147 HydrophobicContact CD1-CD1 4.33Å; F119-L147 HydrophobicContact CE1-CD1 4.05Å
120R92.2Very high90.1Very high112 Ų11280.4 Ų80.442%0.42340%0.396SS..Hα-helixtrans-58.7-41.7175.9-168.2178.4-167.7-16910.1112.1S116 L117 T122 L123 L124 D148S116-R120 PolarHBondContact O-N 3.45Å; L117-R120 PolarHBondContact O-N 3.01Å; R120-T122 VanDerWaalsContact C-N 3.34Å; R120-L123 PolarHBondContact O-N 3.03Å; R120-L124 WeakPolarHBondContact O-CG 3.04Å; R120-L124 PolarHBondContact O-N 3.48Å; R120-L124 VanDerWaalsContact O-N 3.11Å; R120-D148 IonicContact NH2-OD1 3.35Å; R120-D148 PolarHBondContact NH2-OD1 3.48Å; R120-D148 IonicContact NH2-OD2 3.02Å; R120-D148 PolarHBondContact NH2-OD2 2.99Å
121R93.4Very high90.4Very high161 Ų16178.6 Ų78.661%0.60841%0.409SS*.Hα-helixtrans-63.3-39.9174.1-70.4175.9-1731703.5111.9L117 K118 F119 L124 R125L117-R121 WeakPolarHBondContact O-CG 3.38Å; L117-R121 PolarHBondContact O-N 2.94Å; K118-R121 PolarHBondContact O-N 3.05Å; F119-R121 VanDerWaalsContact C-N 3.3Å; F119-R121 PolarHBondContact O-N 2.75Å; R121-L124 PolarHBondContact O-N 3.37Å; R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.35Å; R121-R125 PolarHBondContact O-N 2.73Å
122T93.2Very high90.6Very high31 Ų3174.9 Ų74.919%0.1938%0.383CS..Hα-helixtrans-60.8-45.5175.1-57.90000111.5I86 F98 K118 F119 R120 R125 T126I86-T122 HydrophobicContact CG2-CG2 4.44Å; F98-T122 HydrophobicContact CE1-CG2 4.39Å; K118-T122 PolarHBondContact O-N 3.02Å; K118-T122 PolarHBondContact O-OG1 2.77Å; K118-T122 VanDerWaalsContact O-OG1 3.09Å; F119-T122 WeakPolarHBondContact O-CA 3.36Å; F119-T122 WeakPolarHBondContact O-CB 3.26Å; F119-T122 PolarHBondContact O-N 2.99Å; R120-T122 VanDerWaalsContact C-N 3.34Å; T122-R125 PolarHBondContact O-N 3.35Å; T122-T126 PolarHBondContact O-N 3.11Å; T122-T126 PolarHBondContact O-OG1 3.08Å; T122-T126 VanDerWaalsContact O-OG1 3.13Å
123L93.8Very high91Very high0 Ų071.7 Ų71.70%037%0.369CS..Hα-helixtrans-58.6-51.8176.9-69.2173.8000111.9F98 F119 R120 R125 T126 I127 A140 L147F98-L123 HydrophobicContact CB-CD2 3.86Å; F98-L123 HydrophobicContact CD1-CD2 3.73Å; F98-L123 HydrophobicContact CE1-CD2 4.44Å; F98-L123 HydrophobicContact CG-CD2 3.85Å; F119-L123 HydrophobicContact CD1-CD1 4.1Å; F119-L123 HydrophobicContact CE1-CD1 3.5Å; F119-L123 HydrophobicContact CE1-CD2 4.49Å; F119-L123 HydrophobicContact CE1-CG 4.08Å; F119-L123 HydrophobicContact CE2-CD1 4.41Å; F119-L123 HydrophobicContact CE2-CD2 4.09Å; F119-L123 HydrophobicContact CE2-CG 4.09Å; F119-L123 HydrophobicContact CZ-CD1 3.67Å; F119-L123 HydrophobicContact CZ-CD2 3.8Å; F119-L123 HydrophobicContact CZ-CG 3.81Å; F119-L123 PolarHBondContact O-N 3.2Å; R120-L123 PolarHBondContact O-N 3.03Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 3.49Å; L123-T126 PolarHBondContact O-N 3.43Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.43Å; L123-I127 PolarHBondContact O-N 3.06Å; L123-A140 HydrophobicContact CD2-CB 3.93Å; L123-L147 HydrophobicContact CD1-CD1 3.53Å
124L94.6Very high91.4Very high98 Ų9876 Ų7651%0.51340%0.398SS..Hα-helixtrans-61.3-38.3179.7-68.2175.2000112R120 R121 I127 S128R120-L124 WeakPolarHBondContact O-CG 3.04Å; R120-L124 PolarHBondContact O-N 3.48Å; R120-L124 VanDerWaalsContact O-N 3.11Å; R121-L124 PolarHBondContact O-N 3.37Å; L124-I127 PolarHBondContact O-N 3.27Å; L124-S128 PolarHBondContact O-N 2.99Å; L124-S128 VanDerWaalsContact O-N 3.08Å; L124-S128 PolarHBondContact O-OG 2.96Å
125R94.5Very high91.7Very high139 Ų13974.7 Ų74.753%0.52539%0.386SS..Hα-helixtrans-62.8-50.6176.1-172.9-177.268.5178.11.8111.3R121 T122 L123 I127 S128 E129R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.35Å; R121-R125 PolarHBondContact O-N 2.73Å; T122-R125 PolarHBondContact O-N 3.35Å; L123-R125 VanDerWaalsContact C-N 3.28Å; L123-R125 PolarHBondContact O-N 3.49Å; R125-I127 PolarHBondContact O-N 3.04Å; R125-S128 WeakPolarHBondContact CA-OG 3.45Å; R125-S128 PolarHBondContact O-N 3.03Å; R125-S128 PolarHBondContact O-OG 3.03Å; R125-E129 VanDerWaalsContact CD-OE1 3.23Å; R125-E129 WeakPolarHBondContact CD-OE1 3.08Å; R125-E129 HydrophobicContact CG-CG 4.14Å; R125-E129 WeakPolarHBondContact CG-OE1 3.39Å; R125-E129 IonicContact NE-OE1 2.72Å; R125-E129 WeakPolarHBondContact O-CG 3.46Å; R125-E129 PolarHBondContact O-N 3.28Å
126T92.8Very high92Very high6 Ų670.7 Ų70.74%0.03737%0.369CS..Hα-helixtrans-59.7-34.6178.5-61.80000112.3F98 T122 L123 E132 A136 A140F98-T126 HydrophobicContact CE2-CG2 4.02Å; F98-T126 HydrophobicContact CZ-CG2 4.3Å; T122-T126 PolarHBondContact O-N 3.11Å; T122-T126 PolarHBondContact O-OG1 3.08Å; T122-T126 VanDerWaalsContact O-OG1 3.13Å; L123-T126 PolarHBondContact O-N 3.43Å; T126-E132 HydrophobicContact CG2-CB 4.38Å; T126-E132 HydrophobicContact CG2-CG 4.14Å; T126-A136 HydrophobicContact CG2-CB 4.46Å; T126-A140 HydrophobicContact CG2-CB 4.16Å
127I93.7Very high92.3Very high61 Ų6172.2 Ų72.231%0.31337%0.373SS..Hα-helixtrans-67.3-39.2174.5-65.1164.9000111.2L123 L124 R125 A140L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.43Å; L123-I127 PolarHBondContact O-N 3.06Å; L124-I127 PolarHBondContact O-N 3.27Å; R125-I127 PolarHBondContact O-N 3.04Å; I127-A140 HydrophobicContact CD1-CB 4.21Å; I127-A140 HydrophobicContact CG1-CB 3.74Å
128S94.2Very high92.5Very high82 Ų8273.3 Ų73.357%0.57338%0.376SS*.Hα-helixtrans-79.3-24.5-17767.60000115.2L124 R125 D130L124-S128 PolarHBondContact O-N 2.99Å; L124-S128 VanDerWaalsContact O-N 3.08Å; L124-S128 PolarHBondContact O-OG 2.96Å; R125-S128 WeakPolarHBondContact CA-OG 3.45Å; R125-S128 PolarHBondContact O-N 3.03Å; R125-S128 PolarHBondContact O-OG 3.03Å; S128-D130 PolarHBondContact O-N 3.18Å
129E93.4Very high92.7Very high68 Ų6866.4 Ų66.432%0.31835%0.346SS..  trans-76.6118.8-175.1-78.3169.7166.900111.3R125 G131 E132 K137R125-E129 VanDerWaalsContact CD-OE1 3.23Å; R125-E129 WeakPolarHBondContact CD-OE1 3.08Å; R125-E129 HydrophobicContact CG-CG 4.14Å; R125-E129 WeakPolarHBondContact CG-OE1 3.39Å; R125-E129 IonicContact NE-OE1 2.72Å; R125-E129 WeakPolarHBondContact O-CG 3.46Å; R125-E129 PolarHBondContact O-N 3.28Å; E129-G131 VanDerWaalsContact C-N 3.31Å; E129-G131 PolarHBondContact O-N 3.31Å; E129-E132 HydrophobicContact CB-CG 3.92Å; E129-E132 PolarHBondContact O-N 2.98Å; E129-K137 WeakPolarHBondContact O-CE 3.47Å; E129-K137 PolarHBondContact O-NZ 3.02Å
130D87.4Confident92.8Very high153 Ų15366.3 Ų66.382%0.81835%0.346SS*.THydrogen-bonded Turntrans-63.9-32.9-176.7-72.3-38000113.8S128 E132 K137S128-D130 PolarHBondContact O-N 3.18Å; D130-E132 VanDerWaalsContact C-N 3.31Å; D130-E132 PolarHBondContact O-N 3.39Å; D130-K137 PolarHBondContact O-NZ 3.47Å
131G88.9Confident92.9Very high81 Ų8164.7 Ų64.784%0.83535%0.348SS*.THydrogen-bonded Turntrans-79.6-2.9-176.800000116E129E129-G131 VanDerWaalsContact C-N 3.31Å; E129-G131 PolarHBondContact O-N 3.31Å
132E88.9Confident92.9Very high51 Ų5158.7 Ų58.724%0.23833%0.328CS..SBendtrans-78.2145178.9-79.3-68.3167.200112.5R94 T126 E129 D130 K137R94-E132 IonicContact CZ-OE2 2.89Å; R94-E132 IonicContact NH2-OE2 2.85Å; R94-E132 PolarHBondContact NH2-OE2 2.88Å; T126-E132 HydrophobicContact CG2-CB 4.38Å; T126-E132 HydrophobicContact CG2-CG 4.14Å; E129-E132 HydrophobicContact CB-CG 3.92Å; E129-E132 PolarHBondContact O-N 2.98Å; D130-E132 VanDerWaalsContact C-N 3.31Å; D130-E132 PolarHBondContact O-N 3.39Å; E132-K137 HydrophobicContact CB-CG 4.13Å; E132-K137 WeakPolarHBondContact O-CE 3.26Å
133D91.9Very high93Very high68 Ų6857.2 Ų57.236%0.36432%0.319SS..  trans-59.6138.7-179.4-69.7-63.6000111.7S91 R94 L135 A136 K137S91-D133 WeakPolarHBondContact CB-OD2 3.13Å; S91-D133 PolarHBondContact OG-OD2 2.71Å; R94-D133 IonicContact CZ-OD2 3.26Å; R94-D133 IonicContact NH2-OD2 3.62Å; R94-D133 PolarHBondContact NH2-OD2 3.43Å; D133-L135 PolarHBondContact O-N 3.44Å; D133-L135 VanDerWaalsContact O-N 3.09Å; D133-A136 HydrophobicContact CB-CB 4.29Å; D133-A136 WeakPolarHBondContact O-CB 3.24Å; D133-A136 PolarHBondContact O-N 3.32Å; D133-K137 PolarHBondContact O-N 3.19Å
134P92.8Very high93Very high107 Ų10758.4 Ų58.470%0.69533%0.327SS*.Hα-helixtrans-54.6-34179-27.334.3000113.9F138P134-F138 VanDerWaalsContact O-CB 3.26Å; P134-F138 WeakPolarHBondContact O-CB 3.34Å; P134-F138 PolarHBondContact O-N 3.23Å
135L92.8Very high92.9Very high56 Ų5656 Ų5629%0.29333%0.326SS..Hα-helixtrans-68.7-40176.9-71.4174000112.6F92 Q95 D133 F138 G139 W180F92-L135 HydrophobicContact CB-CD1 4.43Å; Q95-L135 WeakPolarHBondContact CB-O 3.46Å; Q95-L135 WeakPolarHBondContact CG-O 3.36Å; D133-L135 PolarHBondContact O-N 3.44Å; D133-L135 VanDerWaalsContact O-N 3.09Å; L135-F138 PolarHBondContact O-N 3.21Å; L135-G139 PolarHBondContact O-N 2.66Å; L135-W180 HydrophobicContact CD1-CH2 4.47Å
136A92.1Very high92.9Very high0 Ų049.7 Ų49.70%030%0.302CS..Hα-helixtrans-66.9-43.3176.400000110.5F98 T126 D133 F138 G139 A140F98-A136 HydrophobicContact CE2-CB 4.41Å; T126-A136 HydrophobicContact CG2-CB 4.46Å; D133-A136 HydrophobicContact CB-CB 4.29Å; D133-A136 WeakPolarHBondContact O-CB 3.24Å; D133-A136 PolarHBondContact O-N 3.32Å; A136-F138 PolarHBondContact O-N 2.98Å; A136-G139 PolarHBondContact O-N 3.26Å; A136-A140 WeakPolarHBondContact O-CB 3.46Å; A136-A140 PolarHBondContact O-N 3.05Å
137K94.9Very high92.9Very high46 Ų4650.4 Ų50.420%0.231%0.306CS..Hα-helixtrans-58.5-45.6172.2-70-175.7177.8-178.80112.1E129 D130 E132 D133 G139 A140 T141E129-K137 WeakPolarHBondContact O-CE 3.47Å; E129-K137 PolarHBondContact O-NZ 3.02Å; D130-K137 PolarHBondContact O-NZ 3.47Å; E132-K137 HydrophobicContact CB-CG 4.13Å; E132-K137 WeakPolarHBondContact O-CE 3.26Å; D133-K137 PolarHBondContact O-N 3.19Å; K137-G139 PolarHBondContact O-N 3.4Å; K137-A140 PolarHBondContact O-N 2.88Å; K137-T141 PolarHBondContact O-N 3.22Å; K137-T141 PolarHBondContact O-OG1 3.48Å
138F93.8Very high92.8Very high72 Ų7250.9 Ų50.932%0.31631%0.309SS..Hα-helixtrans-59.7-45.7177.7177.4-103.8000111.7Q95 P134 L135 A136 A140 T141 I142 M179 Y183Q95-F138 VanDerWaalsContact NE2-CD1 3.32Å; P134-F138 VanDerWaalsContact O-CB 3.26Å; P134-F138 WeakPolarHBondContact O-CB 3.34Å; P134-F138 PolarHBondContact O-N 3.23Å; L135-F138 PolarHBondContact O-N 3.21Å; A136-F138 PolarHBondContact O-N 2.98Å; F138-A140 PolarHBondContact O-N 2.93Å; F138-T141 PolarHBondContact O-N 2.99Å; F138-I142 HydrophobicContact CD1-CD1 3.98Å; F138-I142 HydrophobicContact CD2-CD1 4.38Å; F138-I142 HydrophobicContact CE1-CD1 3.37Å; F138-I142 HydrophobicContact CE2-CD1 3.83Å; F138-I142 HydrophobicContact CE2-CG1 4.46Å; F138-I142 HydrophobicContact CG-CD1 4.46Å; F138-I142 HydrophobicContact CZ-CD1 3.3Å; F138-I142 HydrophobicContact CZ-CG1 4.36Å; F138-I142 WeakPolarHBondContact O-CG1 3.35Å; F138-I142 PolarHBondContact O-N 2.83Å; F138-M179 HydrophobicContact CE1-CE 3.91Å; F138-M179 HydrophobicContact CE1-SD 4.43Å; F138-M179 HydrophobicContact CZ-CE 4.46Å; F138-M179 HydrophobicContact CZ-SD 4.42Å; F138-Y183 AromaticContact CE1-CD1 3.83Å; F138-Y183 HydrophobicContact CE1-CD1 3.83Å; F138-Y183 AromaticContact CE1-CE1 3.92Å; F138-Y183 HydrophobicContact CE1-CE1 3.92Å; F138-Y183 AromaticContact CZ-CD1 3.7Å; F138-Y183 HydrophobicContact CZ-CD1 3.7Å; F138-Y183 HydrophobicContact CZ-CE1 4.18Å
139G94Very high92.6Very high0 Ų047.6 Ų47.60%029%0.287CS..Hα-helixtrans-62.5-40174.600000113.2L135 A136 K137 G143L135-G139 PolarHBondContact O-N 2.66Å; A136-G139 PolarHBondContact O-N 3.26Å; K137-G139 PolarHBondContact O-N 3.4Å; G139-G143 PolarHBondContact O-N 3.02Å
140A95Very high92.3Very high0 Ų047.7 Ų47.70%030%0.3CS..Hα-helixtrans-66.4-42.4177.700000112F98 L123 T126 I127 A136 K137 F138 G143 C144F98-A140 HydrophobicContact CD2-CB 4.14Å; F98-A140 HydrophobicContact CE2-CB 4.47Å; L123-A140 HydrophobicContact CD2-CB 3.93Å; T126-A140 HydrophobicContact CG2-CB 4.16Å; I127-A140 HydrophobicContact CD1-CB 4.21Å; I127-A140 HydrophobicContact CG1-CB 3.74Å; A136-A140 WeakPolarHBondContact O-CB 3.46Å; A136-A140 PolarHBondContact O-N 3.05Å; K137-A140 PolarHBondContact O-N 2.88Å; F138-A140 PolarHBondContact O-N 2.93Å; A140-G143 PolarHBondContact O-N 2.87Å; A140-C144 PolarHBondContact O-N 3.45Å; A140-C144 PolarHBondContact O-SG 3.49Å
141T94.9Very high92.3Very high78 Ų7843.7 Ų43.748%0.47929%0.294SS..Hα-helixtrans-63-46175.9-59.90000111.8K137 F138 G143 C144 G145K137-T141 PolarHBondContact O-N 3.22Å; K137-T141 PolarHBondContact O-OG1 3.48Å; F138-T141 PolarHBondContact O-N 2.99Å; T141-G143 VanDerWaalsContact C-N 3.3Å; T141-G143 PolarHBondContact O-N 3.17Å; T141-C144 PolarHBondContact O-N 3.01Å; T141-G145 PolarHBondContact O-N 3.41Å; T141-G145 VanDerWaalsContact O-N 3.11Å
142I94.2Very high92.1Very high36 Ų3642.7 Ų42.719%0.18527%0.274CS..Hα-helixtrans-61.7-42.7173.7-71179.7000110.3I99 F138 C144 G145 I146 M179I99-I142 HydrophobicContact CD1-CG2 4.3Å; I99-I142 HydrophobicContact CG1-CB 4.45Å; I99-I142 HydrophobicContact CG1-CG2 4.06Å; F138-I142 HydrophobicContact CD1-CD1 3.98Å; F138-I142 HydrophobicContact CD2-CD1 4.38Å; F138-I142 HydrophobicContact CE1-CD1 3.37Å; F138-I142 HydrophobicContact CE2-CD1 3.83Å; F138-I142 HydrophobicContact CE2-CG1 4.46Å; F138-I142 HydrophobicContact CG-CD1 4.46Å; F138-I142 HydrophobicContact CZ-CD1 3.3Å; F138-I142 HydrophobicContact CZ-CG1 4.36Å; F138-I142 WeakPolarHBondContact O-CG1 3.35Å; F138-I142 PolarHBondContact O-N 2.83Å; I142-C144 PolarHBondContact O-N 3.04Å; I142-G145 CarbonylContact O-C 3.58Å; I142-G145 WeakPolarHBondContact O-CA 3.29Å; I142-G145 PolarHBondContact O-N 3.27Å; I142-I146 HydrophobicContact CG2-CD1 3.78Å; I142-I146 HydrophobicContact CG2-CG1 4.2Å; I142-I146 WeakPolarHBondContact O-CG1 3.28Å; I142-I146 PolarHBondContact O-N 3.35Å; I142-M179 HydrophobicContact CD1-CE 3.78Å; I142-M179 HydrophobicContact CD1-SD 3.86Å
143G93.9Very high92.1Very high0 Ų042.8 Ų42.80%028%0.284CS..Hα-helixtrans-56.4-46.3177.300000112.9S102 G139 A140 T141 G145 I146 L147S102-G143 WeakPolarHBondContact CB-O 3.49Å; S102-G143 WeakPolarHBondContact OG-CA 3.03Å; S102-G143 PolarHBondContact OG-O 2.9Å; G139-G143 PolarHBondContact O-N 3.02Å; A140-G143 PolarHBondContact O-N 2.87Å; T141-G143 VanDerWaalsContact C-N 3.3Å; T141-G143 PolarHBondContact O-N 3.17Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.11Å; G143-I146 PolarHBondContact O-N 3.34Å; G143-L147 WeakPolarHBondContact O-CG 3.31Å; G143-L147 PolarHBondContact O-N 3.19Å
144C93.4Very high92Very high24 Ų2439.7 Ų39.716%0.16227%0.268CS..Hα-helixtrans-57.9-44172.3-70.70000112A140 T141 I142 I146 L147 D148A140-C144 PolarHBondContact O-N 3.45Å; A140-C144 PolarHBondContact O-SG 3.49Å; T141-C144 PolarHBondContact O-N 3.01Å; I142-C144 PolarHBondContact O-N 3.04Å; C144-I146 VanDerWaalsContact C-N 3.3Å; C144-I146 PolarHBondContact O-N 3.08Å; C144-L147 PolarHBondContact O-N 3.47Å; C144-D148 PolarHBondContact O-N 2.9Å
145G93.7Very high91.9Very high48 Ų4835.6 Ų35.650%0.49524%0.241SC..Hα-helixtrans-63-34176.600000113.8T141 I142 G143 A149T141-G145 PolarHBondContact O-N 3.41Å; T141-G145 VanDerWaalsContact O-N 3.11Å; I142-G145 CarbonylContact O-C 3.58Å; I142-G145 WeakPolarHBondContact O-CA 3.29Å; I142-G145 PolarHBondContact O-N 3.27Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.11Å; G145-A149 WeakPolarHBondContact O-CA 3.46Å; G145-A149 PolarHBondContact O-N 3.49Å; G145-A149 VanDerWaalsContact O-N 3.16Å
146I93.9Very high91.8Very high6 Ų633 Ų333%0.03123%0.227CC..Hα-helixtrans-72.1-44.1175.2-66174.4000110.6I99 M103 M106 I142 G143 C144 D148 A149 I156 F176 L189I99-I146 HydrophobicContact CG2-CD1 3.96Å; M103-I146 HydrophobicContact CE-CD1 4.35Å; M103-I146 HydrophobicContact CG-CD1 4.43Å; M103-I146 HydrophobicContact CG-CG2 4.22Å; M106-I146 HydrophobicContact SD-CG2 4.16Å; I142-I146 HydrophobicContact CG2-CD1 3.78Å; I142-I146 HydrophobicContact CG2-CG1 4.2Å; I142-I146 WeakPolarHBondContact O-CG1 3.28Å; I142-I146 PolarHBondContact O-N 3.35Å; G143-I146 PolarHBondContact O-N 3.34Å; C144-I146 VanDerWaalsContact C-N 3.3Å; C144-I146 PolarHBondContact O-N 3.08Å; I146-D148 VanDerWaalsContact C-N 3.34Å; I146-D148 PolarHBondContact O-N 2.94Å; I146-A149 WeakPolarHBondContact O-CB 3.27Å; I146-A149 PolarHBondContact O-N 2.99Å; I146-I156 HydrophobicContact CG2-CD1 4.46Å; I146-F176 HydrophobicContact CD1-CZ 4.19Å; I146-L189 HydrophobicContact CD1-CD2 3.78Å; I146-L189 HydrophobicContact CG1-CD2 3.67Å
147L92.1Very high91.4Very high21 Ų2134.1 Ų34.111%0.1124%0.235CC..Hα-helixtrans-60.7-42.9179-75.4174.8000112.6F119 L123 G143 C144 A149F119-L147 HydrophobicContact CD1-CD1 4.33Å; F119-L147 HydrophobicContact CE1-CD1 4.05Å; L123-L147 HydrophobicContact CD1-CD1 3.53Å; G143-L147 WeakPolarHBondContact O-CG 3.31Å; G143-L147 PolarHBondContact O-N 3.19Å; C144-L147 PolarHBondContact O-N 3.47Å; L147-A149 VanDerWaalsContact C-N 3.3Å
148D91.7Very high90.9Very high72 Ų7231.9 Ų31.939%0.38523%0.225SC..THydrogen-bonded Turntrans-95.418-178.6-64.1-38.1000111.8R120 C144 I146 A150 G151R120-D148 IonicContact NH2-OD1 3.35Å; R120-D148 PolarHBondContact NH2-OD1 3.48Å; R120-D148 IonicContact NH2-OD2 3.02Å; R120-D148 PolarHBondContact NH2-OD2 2.99Å; C144-D148 PolarHBondContact O-N 2.9Å; I146-D148 VanDerWaalsContact C-N 3.34Å; I146-D148 PolarHBondContact O-N 2.94Å; D148-A150 PolarHBondContact O-N 2.74Å; D148-G151 PolarHBondContact O-N 3.05Å; D148-G151 VanDerWaalsContact O-N 3.11Å
149A90.1Very high90.2Very high12 Ų1231.1 Ų31.110%0.09922%0.221CC..G310 helixtrans-58.1132.1-178.400000111.7M106 G145 I146 L147 G151 S152 L193M106-A149 HydrophobicContact SD-CB 4.17Å; G145-A149 WeakPolarHBondContact O-CA 3.46Å; G145-A149 PolarHBondContact O-N 3.49Å; G145-A149 VanDerWaalsContact O-N 3.16Å; I146-A149 WeakPolarHBondContact O-CB 3.27Å; I146-A149 PolarHBondContact O-N 2.99Å; L147-A149 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.9Å; A149-G151 VanDerWaalsContact O-N 3.13Å; A149-S152 PolarHBondContact O-N 3.46Å; A149-L193 HydrophobicContact CB-CD1 4.2Å; A149-L193 HydrophobicContact CB-CD2 4.04Å
150A87.3Confident89.2Confident71 Ų7137 Ų3759%0.58725%0.248SC*.G310 helixtrans50.632.1-17600000114.3D148 S152 A153 A154D148-A150 PolarHBondContact O-N 2.74Å; A150-S152 VanDerWaalsContact C-N 3.34Å; A150-A153 WeakPolarHBondContact O-CB 3.43Å; A150-A153 PolarHBondContact O-N 2.94Å; A150-A154 HydrophobicContact CB-CB 3.57Å
151G87Confident88.1Confident68 Ų6840.2 Ų40.270%0.70128%0.281SS*.G310 helixtrans67.934.3-177.200000113D148 A149 A153D148-G151 PolarHBondContact O-N 3.05Å; D148-G151 VanDerWaalsContact O-N 3.11Å; A149-G151 PolarHBondContact O-N 2.9Å; A149-G151 VanDerWaalsContact O-N 3.13Å; G151-A153 PolarHBondContact O-N 3.31Å
152S86.1Confident86.9Confident60 Ų6042.5 Ų42.542%0.4230%0.295SS..G310 helixtrans63.811.6-173.8-47.50000114.7Q107 A149 A150Q107-S152 PolarHBondContact NE2-O 3.09Å; A149-S152 PolarHBondContact O-N 3.46Å; A150-S152 VanDerWaalsContact C-N 3.34Å
153A88.1Confident85.7Confident53 Ų5345.1 Ų45.144%0.43831%0.31SS..THydrogen-bonded Turntrans-91.2-4.6179.800000114A150 G151 P195 T196A150-A153 WeakPolarHBondContact O-CB 3.43Å; A150-A153 PolarHBondContact O-N 2.94Å; G151-A153 PolarHBondContact O-N 3.31Å; A153-P195 WeakPolarHBondContact O-CA 3.35Å; A153-T196 PolarHBondContact O-N 3.13Å; A153-T196 PolarHBondContact O-OG1 3.39Å
154A90.1Very high85Confident4 Ų453.8 Ų53.83%0.03334%0.344CS..EExtended strand (participates in β ladder)trans-116.2154177.900000112Q107 A150 L193 Q194Q107-A154 WeakPolarHBondContact CG-O 3.37Å; Q107-A154 PolarHBondContact NE2-O 3.04Å; A150-A154 HydrophobicContact CB-CB 3.57Å; A154-L193 HydrophobicContact CB-CB 4.21Å; A154-L193 HydrophobicContact CB-CD2 4.37Å; A154-Q194 CarbonylContact C-O 3.5Å; A154-Q194 VanDerWaalsContact CA-O 3.3Å; A154-Q194 WeakPolarHBondContact CA-O 3.3Å
155T90.6Very high84.4Confident20 Ų2054.9 Ų54.912%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-127.6164170.3-160.40000111.2Q194 T196T155-Q194 PolarHBondContact N-O 3.19Å; T155-Q194 PolarHBondContact O-N 3.31Å; T155-T196 HydrophobicContact CG2-CG2 3.47Å; T155-T196 VanDerWaalsContact CG2-CG2 3.47Å
156I89.8Confident84Confident2 Ų253 Ų531%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-96.6112.6176.7-77.4160.5000103.6A71 M103 M106 I146 L173 L189 A192 L193A71-I156 HydrophobicContact CB-CB 4.03Å; A71-I156 HydrophobicContact CB-CG2 3.67Å; M103-I156 HydrophobicContact CB-CD1 4.35Å; M103-I156 HydrophobicContact CE-CD1 4.47Å; M103-I156 HydrophobicContact CG-CD1 3.86Å; M103-I156 HydrophobicContact SD-CD1 4.48Å; M106-I156 HydrophobicContact CE-CB 3.58Å; M106-I156 HydrophobicContact CE-CD1 3.67Å; M106-I156 HydrophobicContact CE-CG1 3.36Å; I146-I156 HydrophobicContact CG2-CD1 4.46Å; I156-L173 HydrophobicContact CG2-CD1 3.67Å; I156-L173 HydrophobicContact CG2-CD2 4.06Å; I156-L173 HydrophobicContact CG2-CG 4.3Å; I156-L189 HydrophobicContact CD1-CD1 3.88Å; I156-L189 HydrophobicContact CG1-CD1 4.39Å; I156-A192 WeakPolarHBondContact CA-O 3.28Å; I156-A192 HydrophobicContact CG2-CB 4.44Å; I156-L193 HydrophobicContact CG1-CD2 4.04Å
157S85.6Confident83.6Confident23 Ų2357 Ų5716%0.16135%0.354CS..  trans-136.4128.1176.8162.60000108.6Y37 Y159 A169 Q194Y37-S157 WeakPolarHBondContact OH-CA 3.33Å; S157-Y159 PolarHBondContact OG-N 3.35Å; S157-Y159 PolarHBondContact OG-O 3.47Å; S157-A169 WeakPolarHBondContact O-CB 3.45Å; S157-Q194 PolarHBondContact O-OE1 2.91Å; S157-Q194 PolarHBondContact OG-OE1 3.16Å; S157-Q194 VanDerWaalsContact OG-OE1 3.07Å
158L82.9Confident83.6Confident0 Ų059.1 Ų59.10%037%0.369CS..SBendtrans-81-6.3168.5-62.1179.9000111.9F34 Y37 V165 S166 A169 A170 L173F34-L158 HydrophobicContact CD1-CD1 4.23Å; F34-L158 HydrophobicContact CE1-CD1 4.39Å; Y37-L158 HydrophobicContact CD1-CB 3.69Å; Y37-L158 HydrophobicContact CD1-CD1 3.69Å; Y37-L158 HydrophobicContact CD1-CG 3.99Å; Y37-L158 HydrophobicContact CD2-CD1 3.5Å; Y37-L158 VanDerWaalsContact CD2-CD1 3.5Å; Y37-L158 HydrophobicContact CD2-CG 4.12Å; Y37-L158 HydrophobicContact CE1-CB 3.37Å; Y37-L158 HydrophobicContact CE1-CD1 3.96Å; Y37-L158 HydrophobicContact CE1-CG 3.74Å; Y37-L158 HydrophobicContact CE2-CB 4.4Å; Y37-L158 HydrophobicContact CE2-CD1 3.75Å; Y37-L158 HydrophobicContact CE2-CG 3.84Å; Y37-L158 HydrophobicContact CG-CB 4.39Å; Y37-L158 HydrophobicContact CG-CD1 3.49Å; Y37-L158 VanDerWaalsContact CG-CD1 3.49Å; Y37-L158 HydrophobicContact CG-CG 4.22Å; Y37-L158 PolarHBondContact OH-N 3.03Å; Y37-L158 VanDerWaalsContact OH-N 3.11Å; L158-V165 HydrophobicContact CB-CG1 4.44Å; L158-V165 CarbonylContact O-C 3.56Å; L158-V165 VanDerWaalsContact O-CA 3.27Å; L158-V165 WeakPolarHBondContact O-CA 3.37Å; L158-S166 PolarHBondContact O-N 3.15Å; L158-A169 VanDerWaalsContact CD2-C 3.44Å; L158-A169 HydrophobicContact CD2-CB 3.88Å; L158-A170 HydrophobicContact CD2-CB 3.92Å; L158-A170 VanDerWaalsContact CD2-N 3.35Å; L158-L173 HydrophobicContact CD1-CD1 4.27Å; L158-L173 HydrophobicContact CD2-CD1 3.42Å; L158-L173 VanDerWaalsContact CD2-CD1 3.42Å; L158-L173 HydrophobicContact CD2-CG 4.38Å; L158-L173 HydrophobicContact CG-CD1 3.83Å
159Y78.9Confident83.5Confident55 Ų5555.7 Ų55.722%0.21635%0.35CS..EExtended strand (participates in β ladder)trans-98.6137-178.9-61.5-65.1000111.5Y37 R38 S157 Y164 V165 Q194Y37-Y159 VanDerWaalsContact C-OH 3.25Å; Y37-Y159 HydrophobicContact CD1-CD2 4.21Å; Y37-Y159 HydrophobicContact CD1-CE1 4.45Å; Y37-Y159 AromaticContact CD1-CE2 3.39Å; Y37-Y159 HydrophobicContact CD1-CE2 3.39Å; Y37-Y159 AromaticContact CD1-CZ 3.51Å; Y37-Y159 WeakPolarHBondContact CD1-OH 3.45Å; Y37-Y159 AromaticContact CE1-CD2 3.65Å; Y37-Y159 HydrophobicContact CE1-CD2 3.65Å; Y37-Y159 AromaticContact CE1-CE2 3.23Å; Y37-Y159 HydrophobicContact CE1-CE2 3.23Å; Y37-Y159 AromaticContact CE1-CZ 3.85Å; Y37-Y159 PolarHBondContact O-OH 3.03Å; R38-Y159 WeakPolarHBondContact CA-OH 3.47Å; R38-Y159 VanDerWaalsContact CB-OH 3.26Å; R38-Y159 WeakPolarHBondContact CB-OH 3.27Å; R38-Y159 PolarHBondContact N-OH 2.72Å; R38-Y159 VanDerWaalsContact N-OH 3.08Å; S157-Y159 PolarHBondContact OG-N 3.35Å; S157-Y159 PolarHBondContact OG-O 3.47Å; Y159-Y164 WeakPolarHBondContact CA-O 3.49Å; Y159-V165 HydrophobicContact CE1-CG2 4.32Å; Y159-Q194 PolarHBondContact O-NE2 2.92Å; Y159-Q194 PolarHBondContact O-OE1 3.48Å
160E73.5Confident83.4Confident125 Ų12555.2 Ų55.258%0.58435%0.346SS*.EExtended strand (participates in β ladder)trans-114101.4163.4-167.7167-17300107Y164E160-Y164 PolarHBondContact N-O 3.18Å
161G72.9Confident83.5Confident67 Ų6755.4 Ų55.469%0.69134%0.337SS*.THydrogen-bonded Turntrans76-149-172.100000113.6
162T68.9Low83.7Confident126 Ų12652.2 Ų52.277%0.77330%0.303SS*.THydrogen-bonded Turntrans-82.5-31.1-169.452.60000114.7
163D70Confident83.9Confident91 Ų9149.3 Ų49.349%0.48728%0.283SS..THydrogen-bonded Turntrans-138.1-10.6-167.5-76.6-57.7000115.7R38R38-D163 IonicContact CZ-OD1 3.66Å; R38-D163 IonicContact NH1-OD1 3.84Å; R38-D163 IonicContact NH2-OD1 2.73Å; R38-D163 PolarHBondContact NH2-OD1 3.2Å
164Y79Confident84Confident181 Ų18149.3 Ų49.371%0.7128%0.276SS*.EExtended strand (participates in β ladder)trans-93.1126-177.8-64.9-77000111.2Y159 E160 S166Y159-Y164 WeakPolarHBondContact CA-O 3.49Å; E160-Y164 PolarHBondContact N-O 3.18Å; Y164-S166 PolarHBondContact O-N 2.92Å
165V81Confident84Confident48 Ų4850.8 Ų50.829%0.29128%0.284SS..EExtended strand (participates in β ladder)trans-77.2118.7167.1178.70000107.8L158 Y159 T167 A170L158-V165 HydrophobicContact CB-CG1 4.44Å; L158-V165 CarbonylContact O-C 3.56Å; L158-V165 VanDerWaalsContact O-CA 3.27Å; L158-V165 WeakPolarHBondContact O-CA 3.37Å; Y159-V165 HydrophobicContact CE1-CG2 4.32Å; V165-T167 PolarHBondContact O-N 3.26Å; V165-A170 HydrophobicContact CG1-CB 4.11Å
166S84.9Confident84.1Confident8 Ų850.1 Ų50.16%0.05628%0.279CS..  trans-65.2104.3173.1-171.40000108.8L158 Y164 P168 A169 A170L158-S166 PolarHBondContact O-N 3.15Å; Y164-S166 PolarHBondContact O-N 2.92Å; S166-P168 VanDerWaalsContact C-CD 3.46Å; S166-P168 VanDerWaalsContact C-N 3.35Å; S166-P168 WeakPolarHBondContact OG-CD 3.4Å; S166-P168 WeakPolarHBondContact OG-CG 3.24Å; S166-A169 PolarHBondContact O-N 2.95Å; S166-A169 VanDerWaalsContact O-N 3.16Å; S166-A170 PolarHBondContact O-N 3.17Å
167T86Confident84.1Confident90 Ų9050.2 Ų50.255%0.55228%0.28SS*.Hα-helixtrans-51-46.6176-59.30000112.6V165 A169 A170 I171V165-T167 PolarHBondContact O-N 3.26Å; T167-A169 PolarHBondContact O-N 3Å; T167-A170 PolarHBondContact O-N 3.32Å; T167-I171 HydrophobicContact CG2-CD1 3.69Å; T167-I171 HydrophobicContact CG2-CG1 4.35Å; T167-I171 VanDerWaalsContact O-CG1 3.29Å; T167-I171 WeakPolarHBondContact O-CG1 3.45Å; T167-I171 PolarHBondContact O-N 3.32Å
168P90.6Very high84.2Confident66 Ų6652.2 Ų52.243%0.42929%0.287SS..Hα-helixtrans-64.6-38.4178.724.9-34000112.5S166 I171 G172S166-P168 VanDerWaalsContact C-CD 3.46Å; S166-P168 VanDerWaalsContact C-N 3.35Å; S166-P168 WeakPolarHBondContact OG-CD 3.4Å; S166-P168 WeakPolarHBondContact OG-CG 3.24Å; P168-I171 PolarHBondContact O-N 3.48Å; P168-G172 PolarHBondContact O-N 3.07Å
169A89.9Confident84.5Confident0 Ų052.5 Ų52.50%029%0.288CS..Hα-helixtrans-65.1-41.8176.400000111.8S157 L158 S166 T167 G172 L173 L191 A192S157-A169 WeakPolarHBondContact O-CB 3.45Å; L158-A169 VanDerWaalsContact CD2-C 3.44Å; L158-A169 HydrophobicContact CD2-CB 3.88Å; S166-A169 PolarHBondContact O-N 2.95Å; S166-A169 VanDerWaalsContact O-N 3.16Å; T167-A169 PolarHBondContact O-N 3Å; A169-G172 PolarHBondContact O-N 3.5Å; A169-L173 PolarHBondContact O-N 3Å; A169-L191 WeakPolarHBondContact CA-O 3.47Å; A169-A192 HydrophobicContact CB-CB 4.2Å
170A87.8Confident84.8Confident1 Ų154 Ų541%0.00829%0.293CS..Hα-helixtrans-66.3-4217900000112.1M1 L158 V165 S166 T167 L174M1-A170 HydrophobicContact CE-CB 3.57Å; L158-A170 HydrophobicContact CD2-CB 3.92Å; L158-A170 VanDerWaalsContact CD2-N 3.35Å; V165-A170 HydrophobicContact CG1-CB 4.11Å; S166-A170 PolarHBondContact O-N 3.17Å; T167-A170 PolarHBondContact O-N 3.32Å; A170-L174 VanDerWaalsContact O-CB 3.28Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 PolarHBondContact O-N 2.76Å
171I90Very high85.5Confident76 Ų7654.1 Ų54.139%0.3929%0.292SS..Hα-helixtrans-65.7-43.9173.3-66.4170.1000110.3M1 T167 P168 L173 L174 V175M1-I171 HydrophobicContact CE-CG1 4.27Å; T167-I171 HydrophobicContact CG2-CD1 3.69Å; T167-I171 HydrophobicContact CG2-CG1 4.35Å; T167-I171 VanDerWaalsContact O-CG1 3.29Å; T167-I171 WeakPolarHBondContact O-CG1 3.45Å; T167-I171 PolarHBondContact O-N 3.32Å; P168-I171 PolarHBondContact O-N 3.48Å; I171-L173 PolarHBondContact O-N 3.43Å; I171-L174 PolarHBondContact O-N 3.07Å; I171-V175 HydrophobicContact CG2-CG2 4.22Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.37Å; I171-V175 PolarHBondContact O-N 3.32Å
172G91.5Very high86.4Confident0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-57.2-49.4179.200000112.5P168 A169 V175 F176 F188P168-G172 PolarHBondContact O-N 3.07Å; A169-G172 PolarHBondContact O-N 3.5Å; G172-V175 PolarHBondContact O-N 2.93Å; G172-F176 VanDerWaalsContact O-CB 3.28Å; G172-F176 WeakPolarHBondContact O-CB 3.45Å; G172-F176 PolarHBondContact O-N 3.23Å; G172-F188 WeakPolarHBondContact CA-O 3.47Å
173L90.3Very high87.4Confident0 Ų058.4 Ų58.40%028%0.275CS..Hα-helixtrans-65.5-39.7175.1-80172.5000112.4F34 V68 M103 I156 L158 A169 I171 V175 F176 V177 L189 A192F34-L173 HydrophobicContact CE1-CB 4.02Å; F34-L173 HydrophobicContact CZ-CB 3.98Å; V68-L173 HydrophobicContact CG1-CD1 4.27Å; M103-L173 HydrophobicContact CE-CD2 4.33Å; I156-L173 HydrophobicContact CG2-CD1 3.67Å; I156-L173 HydrophobicContact CG2-CD2 4.06Å; I156-L173 HydrophobicContact CG2-CG 4.3Å; L158-L173 HydrophobicContact CD1-CD1 4.27Å; L158-L173 HydrophobicContact CD2-CD1 3.42Å; L158-L173 VanDerWaalsContact CD2-CD1 3.42Å; L158-L173 HydrophobicContact CD2-CG 4.38Å; L158-L173 HydrophobicContact CG-CD1 3.83Å; A169-L173 PolarHBondContact O-N 3Å; I171-L173 PolarHBondContact O-N 3.43Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.16Å; L173-F176 PolarHBondContact O-N 3.41Å; L173-V177 VanDerWaalsContact O-CG2 3.26Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 2.87Å; L173-L189 HydrophobicContact CD2-CD1 3.77Å; L173-A192 HydrophobicContact CD1-CB 4.22Å; L173-A192 HydrophobicContact CD2-CB 4.24Å; L173-A192 HydrophobicContact CG-CB 3.69Å
174L89.4Confident88.5Confident53 Ų5357.4 Ų57.428%0.27727%0.273SS..Hα-helixtrans-62.1-45.2178.8179.367.4000111M1 F34 A170 I171 V177 H178M1-L174 HydrophobicContact CG-CD2 3.94Å; M1-L174 HydrophobicContact SD-CD2 3.96Å; F34-L174 HydrophobicContact CD2-CD1 4.32Å; F34-L174 HydrophobicContact CE1-CB 4.41Å; F34-L174 HydrophobicContact CE2-CB 4.24Å; F34-L174 HydrophobicContact CE2-CD1 3.75Å; F34-L174 HydrophobicContact CZ-CB 3.82Å; F34-L174 HydrophobicContact CZ-CD1 4.22Å; A170-L174 VanDerWaalsContact O-CB 3.28Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 PolarHBondContact O-N 2.76Å; I171-L174 PolarHBondContact O-N 3.07Å; L174-V177 PolarHBondContact O-N 3.42Å; L174-H178 PolarHBondContact O-ND1 3.35Å
175V91.5Very high89.1Confident34 Ų3451.1 Ų51.121%0.20625%0.251CS..Hα-helixtrans-68.2-40.7178.61750000110.8I171 G172 L173 V177 H178 L185 F188I171-V175 HydrophobicContact CG2-CG2 4.22Å; I171-V175 VanDerWaalsContact O-CG2 3.31Å; I171-V175 WeakPolarHBondContact O-CG2 3.37Å; I171-V175 PolarHBondContact O-N 3.32Å; G172-V175 PolarHBondContact O-N 2.93Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 3.16Å; V175-V177 VanDerWaalsContact C-N 3.31Å; V175-V177 PolarHBondContact O-N 3.05Å; V175-H178 PolarHBondContact O-N 3.42Å; V175-L185 HydrophobicContact CG1-CB 3.77Å; V175-L185 HydrophobicContact CG1-CD1 4.33Å; V175-L185 HydrophobicContact CG1-CD2 3.74Å; V175-L185 HydrophobicContact CG1-CG 4.13Å; V175-F188 HydrophobicContact CB-CB 3.9Å; V175-F188 HydrophobicContact CB-CD1 4.41Å; V175-F188 HydrophobicContact CB-CD2 4.48Å; V175-F188 HydrophobicContact CB-CG 4.03Å; V175-F188 HydrophobicContact CG1-CB 3.75Å; V175-F188 HydrophobicContact CG1-CD1 4.14Å; V175-F188 HydrophobicContact CG1-CD2 3.5Å; V175-F188 VanDerWaalsContact CG1-CD2 3.5Å; V175-F188 HydrophobicContact CG1-CE2 4.09Å; V175-F188 HydrophobicContact CG1-CG 3.52Å
176F91.9Very high89.5Confident6 Ų649.6 Ų49.63%0.02625%0.245CC..Hα-helixtrans-57.7-42.7176175.2-94.9000112.5M64 I99 M103 I146 G172 L173 H178 M179 L189M64-F176 HydrophobicContact SD-CE1 4.29Å; I99-F176 HydrophobicContact CG2-CE1 3.74Å; I99-F176 HydrophobicContact CG2-CZ 3.69Å; M103-F176 HydrophobicContact CE-CD1 3.54Å; M103-F176 HydrophobicContact CE-CE1 3.08Å; M103-F176 HydrophobicContact CE-CZ 3.8Å; I146-F176 HydrophobicContact CD1-CZ 4.19Å; G172-F176 VanDerWaalsContact O-CB 3.28Å; G172-F176 WeakPolarHBondContact O-CB 3.45Å; G172-F176 PolarHBondContact O-N 3.23Å; L173-F176 PolarHBondContact O-N 3.41Å; F176-H178 PolarHBondContact O-N 3.38Å; F176-M179 HydrophobicContact CE2-SD 4.31Å; F176-M179 WeakPolarHBondContact O-CB 3.16Å; F176-M179 PolarHBondContact O-N 3.18Å; F176-L189 HydrophobicContact CB-CB 4.48Å; F176-L189 HydrophobicContact CB-CD1 4.48Å; F176-L189 HydrophobicContact CD1-CD1 4.33Å; F176-L189 HydrophobicContact CD2-CB 3.66Å; F176-L189 HydrophobicContact CD2-CD1 4.19Å; F176-L189 HydrophobicContact CD2-CD2 4.16Å; F176-L189 HydrophobicContact CD2-CG 4.22Å; F176-L189 HydrophobicContact CE2-CB 4.19Å; F176-L189 HydrophobicContact CE2-CD2 3.88Å; F176-L189 HydrophobicContact CE2-CG 4.45Å; F176-L189 HydrophobicContact CG-CB 4.2Å; F176-L189 HydrophobicContact CG-CD1 4.05Å; F176-L189 HydrophobicContact CZ-CD2 4.29Å
177V88.8Confident89.9Confident4 Ų456.2 Ų56.22%0.02428%0.275CS..Hα-helixtrans-61.1-27.3177.51650000112.5H30 M64 V68 L173 L174 V175 M179H30-V177 HydrophobicContact CB-CG1 3.85Å; H30-V177 WeakPolarHBondContact CD2-CG1 3.45Å; H30-V177 VanDerWaalsContact CE1-CG1 3.5Å; H30-V177 WeakPolarHBondContact CE1-CG1 3.35Å; H30-V177 WeakPolarHBondContact ND1-CG1 3.36Å; H30-V177 VanDerWaalsContact NE2-CG1 3.31Å; H30-V177 WeakPolarHBondContact NE2-CG1 3.41Å; M64-V177 HydrophobicContact CG-CG1 4.35Å; M64-V177 HydrophobicContact CG-CG2 3.92Å; M64-V177 HydrophobicContact SD-CG2 4.42Å; V68-V177 HydrophobicContact CG2-CG2 3.88Å; L173-V177 VanDerWaalsContact O-CG2 3.26Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 2.87Å; L174-V177 PolarHBondContact O-N 3.42Å; V175-V177 VanDerWaalsContact C-N 3.31Å; V175-V177 PolarHBondContact O-N 3.05Å; V177-M179 VanDerWaalsContact C-N 3.29Å; V177-M179 PolarHBondContact O-N 3.11Å
178H88.3Confident90.2Very high65 Ų6556.1 Ų56.130%0.30127%0.267SS..G310 helixtrans-87.78.8176.1-66.881.7000113.5L174 V175 F176 W180 F181 L185L174-H178 PolarHBondContact O-ND1 3.35Å; V175-H178 PolarHBondContact O-N 3.42Å; F176-H178 PolarHBondContact O-N 3.38Å; H178-W180 PolarHBondContact O-N 2.81Å; H178-F181 HydrophobicContact CB-CD2 4.34Å; H178-F181 PolarHBondContact O-N 3.02Å; H178-L185 HydrophobicContact CB-CD1 4.43Å
179M89.5Confident90.2Very high6 Ų653.8 Ų53.83%0.0325%0.251CS..G310 helixtrans-53.6-26.4175.8-178.7-175.869.500112.9I99 F138 I142 F176 V177 F181 W182 Y183I99-M179 HydrophobicContact CD1-CE 4.04Å; F138-M179 HydrophobicContact CE1-CE 3.91Å; F138-M179 HydrophobicContact CE1-SD 4.43Å; F138-M179 HydrophobicContact CZ-CE 4.46Å; F138-M179 HydrophobicContact CZ-SD 4.42Å; I142-M179 HydrophobicContact CD1-CE 3.78Å; I142-M179 HydrophobicContact CD1-SD 3.86Å; F176-M179 HydrophobicContact CE2-SD 4.31Å; F176-M179 WeakPolarHBondContact O-CB 3.16Å; F176-M179 PolarHBondContact O-N 3.18Å; V177-M179 VanDerWaalsContact C-N 3.29Å; V177-M179 PolarHBondContact O-N 3.11Å; M179-F181 VanDerWaalsContact C-N 3.25Å; M179-F181 PolarHBondContact O-N 3.12Å; M179-W182 CarbonylContact O-C 3.07Å; M179-W182 PolarHBondContact O-N 3.46Å; M179-W182 VanDerWaalsContact O-N 3.15Å; M179-Y183 HydrophobicContact CG-CD1 4.4Å; M179-Y183 WeakPolarHBondContact CG-O 3.44Å; M179-Y183 PolarHBondContact O-N 3.32Å
180W85.9Confident90.3Very high86 Ų8657.5 Ų57.533%0.32628%0.277SS..G310 helixtrans-55.3-37.4175.3-175-91000113.6F92 L135 H178F92-W180 HydrophobicContact CB-CH2 3.35Å; F92-W180 HydrophobicContact CB-CZ3 3.45Å; F92-W180 VanDerWaalsContact CB-CZ3 3.45Å; F92-W180 HydrophobicContact CD1-CH2 4.22Å; F92-W180 HydrophobicContact CD2-CH2 4.49Å; F92-W180 AromaticContact CG-CH2 3.83Å; F92-W180 HydrophobicContact CG-CH2 3.83Å; F92-W180 HydrophobicContact CG-CZ3 4.25Å; L135-W180 HydrophobicContact CD1-CH2 4.47Å; H178-W180 PolarHBondContact O-N 2.81Å
181F87.5Confident90.5Very high129 Ų12961.3 Ų61.357%0.56630%0.297SS*.THydrogen-bonded Turntrans-80.3-29.9178.7-63-73.5000112.7W26 H178 M179W26-F181 AromaticContact CH2-CE2 3.41Å; W26-F181 HydrophobicContact CH2-CE2 3.41Å; W26-F181 VanDerWaalsContact CH2-CE2 3.41Å; W26-F181 AromaticContact CH2-CZ 3.34Å; W26-F181 HydrophobicContact CH2-CZ 3.34Å; W26-F181 HydrophobicContact CZ2-CE2 4.16Å; W26-F181 AromaticContact CZ2-CZ 3.6Å; W26-F181 HydrophobicContact CZ2-CZ 3.6Å; W26-F181 HydrophobicContact CZ3-CE2 4.1Å; W26-F181 HydrophobicContact CZ3-CZ 4.32Å; H178-F181 HydrophobicContact CB-CD2 4.34Å; H178-F181 PolarHBondContact O-N 3.02Å; M179-F181 VanDerWaalsContact C-N 3.25Å; M179-F181 PolarHBondContact O-N 3.12Å
182W91.1Very high90.6Very high164 Ų16457.7 Ų57.762%0.62128%0.278SS*.  trans-153.2100.2-174.8-166.7-80.3000110M179 P184 L185M179-W182 CarbonylContact O-C 3.07Å; M179-W182 PolarHBondContact O-N 3.46Å; M179-W182 VanDerWaalsContact O-N 3.15Å; W182-P184 VanDerWaalsContact C-N 3.33Å; W182-L185 HydrophobicContact CB-CD1 3.82Å; W182-L185 HydrophobicContact CB-CG 3.89Å; W182-L185 HydrophobicContact CG-CG 4.25Å; W182-L185 VanDerWaalsContact O-CB 3.24Å; W182-L185 WeakPolarHBondContact O-CB 3.42Å; W182-L185 WeakPolarHBondContact O-CG 3.45Å; W182-L185 PolarHBondContact O-N 3.2Å
183Y90.5Very high90.6Very high119 Ų11960.2 Ų60.247%0.46729%0.291SS..G310 helixtrans-52.5-38.8-173.5-63-70.9000115.1F138 M179 L185 G186F138-Y183 AromaticContact CE1-CD1 3.83Å; F138-Y183 HydrophobicContact CE1-CD1 3.83Å; F138-Y183 AromaticContact CE1-CE1 3.92Å; F138-Y183 HydrophobicContact CE1-CE1 3.92Å; F138-Y183 AromaticContact CZ-CD1 3.7Å; F138-Y183 HydrophobicContact CZ-CD1 3.7Å; F138-Y183 HydrophobicContact CZ-CE1 4.18Å; M179-Y183 HydrophobicContact CG-CD1 4.4Å; M179-Y183 WeakPolarHBondContact CG-O 3.44Å; M179-Y183 PolarHBondContact O-N 3.32Å; Y183-L185 PolarHBondContact O-N 3.07Å; Y183-G186 PolarHBondContact O-N 3.36Å
184P93Very high90.5Very high70 Ų7062.2 Ų62.246%0.45530%0.301SS..G310 helixtrans-58.1-19174.6-28.833.9000115.7W182 G186 H187W182-P184 VanDerWaalsContact C-N 3.33Å; P184-G186 PolarHBondContact O-N 3.44Å; P184-H187 PolarHBondContact O-CD2 3.18Å; P184-H187 PolarHBondContact O-N 3.42Å
185L91.2Very high90.5Very high48 Ų4864.3 Ų64.325%0.25132%0.317SS..G310 helixtrans-64.7-16.1174.2-62.9-179.5000112.5V175 H178 W182 Y183 H187 F188V175-L185 HydrophobicContact CG1-CB 3.77Å; V175-L185 HydrophobicContact CG1-CD1 4.33Å; V175-L185 HydrophobicContact CG1-CD2 3.74Å; V175-L185 HydrophobicContact CG1-CG 4.13Å; H178-L185 HydrophobicContact CB-CD1 4.43Å; W182-L185 HydrophobicContact CB-CD1 3.82Å; W182-L185 HydrophobicContact CB-CG 3.89Å; W182-L185 HydrophobicContact CG-CG 4.25Å; W182-L185 VanDerWaalsContact O-CB 3.24Å; W182-L185 WeakPolarHBondContact O-CB 3.42Å; W182-L185 WeakPolarHBondContact O-CG 3.45Å; W182-L185 PolarHBondContact O-N 3.2Å; Y183-L185 PolarHBondContact O-N 3.07Å; L185-H187 PolarHBondContact O-N 3.43Å; L185-F188 HydrophobicContact CD2-CD2 4.35Å; L185-F188 HydrophobicContact CD2-CE2 4.05Å; L185-F188 WeakPolarHBondContact O-CB 3.29Å; L185-F188 WeakPolarHBondContact O-CD2 3.39Å; L185-F188 PolarHBondContact O-N 2.84Å
186G89.8Confident90.3Very high16 Ų1666.2 Ų66.217%0.16533%0.329CS..G310 helixtrans-57.2-27.4172.500000113.8Y183 P184 F188 L189Y183-G186 PolarHBondContact O-N 3.36Å; P184-G186 PolarHBondContact O-N 3.44Å; G186-F188 PolarHBondContact O-N 3.19Å; G186-L189 WeakPolarHBondContact O-CB 3.22Å; G186-L189 PolarHBondContact O-N 3.21Å
187H92.5Very high90.2Very high148 Ų14869.9 Ų69.969%0.68536%0.355SS*.G310 helixtrans-65.2-21.9179.8-66.3-55.1000113.9P184 L185 L189 S190P184-H187 PolarHBondContact O-CD2 3.18Å; P184-H187 PolarHBondContact O-N 3.42Å; L185-H187 PolarHBondContact O-N 3.43Å; H187-L189 PolarHBondContact O-N 2.76Å; H187-S190 WeakPolarHBondContact O-CB 3.44Å; H187-S190 PolarHBondContact O-N 3.22Å; H187-S190 PolarHBondContact O-OG 2.97Å
188F92.6Very high90.1Very high87 Ų8778 Ų7838%0.38240%0.396SS..G310 helixtrans-69.5-10.5178.5-74.3-96.5000113.2G172 V175 L185 G186 S190 L191G172-F188 WeakPolarHBondContact CA-O 3.47Å; V175-F188 HydrophobicContact CB-CB 3.9Å; V175-F188 HydrophobicContact CB-CD1 4.41Å; V175-F188 HydrophobicContact CB-CD2 4.48Å; V175-F188 HydrophobicContact CB-CG 4.03Å; V175-F188 HydrophobicContact CG1-CB 3.75Å; V175-F188 HydrophobicContact CG1-CD1 4.14Å; V175-F188 HydrophobicContact CG1-CD2 3.5Å; V175-F188 VanDerWaalsContact CG1-CD2 3.5Å; V175-F188 HydrophobicContact CG1-CE2 4.09Å; V175-F188 HydrophobicContact CG1-CG 3.52Å; L185-F188 HydrophobicContact CD2-CD2 4.35Å; L185-F188 HydrophobicContact CD2-CE2 4.05Å; L185-F188 WeakPolarHBondContact O-CB 3.29Å; L185-F188 WeakPolarHBondContact O-CD2 3.39Å; L185-F188 PolarHBondContact O-N 2.84Å; G186-F188 PolarHBondContact O-N 3.19Å; F188-S190 PolarHBondContact O-N 3.19Å; F188-L191 HydrophobicContact CD1-CD1 3.84Å; F188-L191 WeakPolarHBondContact O-CB 3.46Å; F188-L191 PolarHBondContact O-N 3.21Å; F188-L191 VanDerWaalsContact O-N 3.12Å
189L91.3Very high90.1Very high18 Ų1880.5 Ų80.59%0.09441%0.411CS..G310 helixtrans-57.4-29.6169.9-170.762.3000112.1M103 I146 I156 L173 F176 G186 H187 L191 A192 L193M103-L189 HydrophobicContact CE-CD1 4.12Å; I146-L189 HydrophobicContact CD1-CD2 3.78Å; I146-L189 HydrophobicContact CG1-CD2 3.67Å; I156-L189 HydrophobicContact CD1-CD1 3.88Å; I156-L189 HydrophobicContact CG1-CD1 4.39Å; L173-L189 HydrophobicContact CD2-CD1 3.77Å; F176-L189 HydrophobicContact CB-CB 4.48Å; F176-L189 HydrophobicContact CB-CD1 4.48Å; F176-L189 HydrophobicContact CD1-CD1 4.33Å; F176-L189 HydrophobicContact CD2-CB 3.66Å; F176-L189 HydrophobicContact CD2-CD1 4.19Å; F176-L189 HydrophobicContact CD2-CD2 4.16Å; F176-L189 HydrophobicContact CD2-CG 4.22Å; F176-L189 HydrophobicContact CE2-CB 4.19Å; F176-L189 HydrophobicContact CE2-CD2 3.88Å; F176-L189 HydrophobicContact CE2-CG 4.45Å; F176-L189 HydrophobicContact CG-CB 4.2Å; F176-L189 HydrophobicContact CG-CD1 4.05Å; F176-L189 HydrophobicContact CZ-CD2 4.29Å; G186-L189 WeakPolarHBondContact O-CB 3.22Å; G186-L189 PolarHBondContact O-N 3.21Å; H187-L189 PolarHBondContact O-N 2.76Å; L189-L191 PolarHBondContact O-N 3.18Å; L189-A192 PolarHBondContact O-N 3.49Å; L189-L193 PolarHBondContact O-N 3.4Å
190S92.4Very high90.1Very high77 Ų7782.2 Ų82.254%0.53843%0.43SS..G310 helixtrans-57.7-28.9177.159.20000113.7H187 F188 A192 L193H187-S190 WeakPolarHBondContact O-CB 3.44Å; H187-S190 PolarHBondContact O-N 3.22Å; H187-S190 PolarHBondContact O-OG 2.97Å; F188-S190 PolarHBondContact O-N 3.19Å; S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 2.9Å; S190-L193 PolarHBondContact O-N 2.87Å
191L91.6Very high90.4Very high82 Ų8282 Ų8243%0.42944%0.437SS..G310 helixtrans-72.3-20.2176.9-62.2176.5000113.2A169 F188 L189A169-L191 WeakPolarHBondContact CA-O 3.47Å; F188-L191 HydrophobicContact CD1-CD1 3.84Å; F188-L191 WeakPolarHBondContact O-CB 3.46Å; F188-L191 PolarHBondContact O-N 3.21Å; F188-L191 VanDerWaalsContact O-N 3.12Å; L189-L191 PolarHBondContact O-N 3.18Å
192A91.4Very high90.6Very high0 Ų078.6 Ų78.60%043%0.425CS..G310 helixtrans-93.7-8.4177.700000113.1I156 A169 L173 L189 S190 Q194I156-A192 WeakPolarHBondContact CA-O 3.28Å; I156-A192 HydrophobicContact CG2-CB 4.44Å; A169-A192 HydrophobicContact CB-CB 4.2Å; L173-A192 HydrophobicContact CD1-CB 4.22Å; L173-A192 HydrophobicContact CD2-CB 4.24Å; L173-A192 HydrophobicContact CG-CB 3.69Å; L189-A192 PolarHBondContact O-N 3.49Å; S190-A192 VanDerWaalsContact C-N 3.26Å; S190-A192 PolarHBondContact O-N 2.9Å; A192-Q194 PolarHBondContact O-N 3.27Å
193L91.5Very high90.7Very high52 Ų5276.9 Ų76.927%0.27244%0.436SS..EExtended strand (participates in β ladder)trans-78.7116.1176.3-66.2177.4000109.8M106 A149 A154 I156 L189 S190M106-L193 HydrophobicContact CE-CD2 4.39Å; M106-L193 HydrophobicContact SD-CD2 4.33Å; A149-L193 HydrophobicContact CB-CD1 4.2Å; A149-L193 HydrophobicContact CB-CD2 4.04Å; A154-L193 HydrophobicContact CB-CB 4.21Å; A154-L193 HydrophobicContact CB-CD2 4.37Å; I156-L193 HydrophobicContact CG1-CD2 4.04Å; L189-L193 PolarHBondContact O-N 3.4Å; S190-L193 PolarHBondContact O-N 2.87Å
194Q89.3Confident90.6Very high43 Ų4378.5 Ų78.520%0.20145%0.447CS..EExtended strand (participates in β ladder)trans-111.2127.7173.7-67.6-176.8-30.700109.4A154 T155 S157 Y159 A192 T196A154-Q194 CarbonylContact C-O 3.5Å; A154-Q194 VanDerWaalsContact CA-O 3.3Å; A154-Q194 WeakPolarHBondContact CA-O 3.3Å; T155-Q194 PolarHBondContact N-O 3.19Å; T155-Q194 PolarHBondContact O-N 3.31Å; S157-Q194 PolarHBondContact O-OE1 2.91Å; S157-Q194 PolarHBondContact OG-OE1 3.16Å; S157-Q194 VanDerWaalsContact OG-OE1 3.07Å; Y159-Q194 PolarHBondContact O-NE2 2.92Å; Y159-Q194 PolarHBondContact O-OE1 3.48Å; A192-Q194 PolarHBondContact O-N 3.27Å; Q194-T196 PolarHBondContact O-N 3.11Å
195P89.8Confident90.4Very high96 Ų9682.3 Ų82.362%0.62346%0.463SS*.EExtended strand (participates in β ladder)trans-67.5133.6176.528.6-33.6000110.3A153 C197A153-P195 WeakPolarHBondContact O-CA 3.35Å; P195-C197 PolarHBondContact O-N 2.98Å
196T87.5Confident90.1Very high74 Ų7486.9 Ų86.945%0.45448%0.481SS..  trans-97.179.1174.460.50000109.1Q107 A153 T155 Q194Q107-T196 PolarHBondContact NE2-OG1 3.35Å; A153-T196 PolarHBondContact O-N 3.13Å; A153-T196 PolarHBondContact O-OG1 3.39Å; T155-T196 HydrophobicContact CG2-CG2 3.47Å; T155-T196 VanDerWaalsContact CG2-CG2 3.47Å; Q194-T196 PolarHBondContact O-N 3.11Å
197C87.9Confident89.7Confident83 Ų8391.5 Ų91.556%0.56151%0.505SS*.  trans-136.2152175.763.20000111.1P195P195-C197 PolarHBondContact O-N 2.98Å
198I87.5Confident88.3Confident176 Ų17691.2 Ų91.290%0.90353%0.529SS*.  trans-95.8115.6171.4-60.1174.2000106.5
199I88.4Confident88.1Confident117 Ų11791.5 Ų91.560%0.654%0.536SS*.  trans-99.4106.4178.8-55.3173.9000108.2V201I199-V201 HydrophobicContact CG2-CG2 3.92Å
200G90.2Very high87.9Confident42 Ų4295.3 Ų95.343%0.43356%0.559SS.*  trans-79.5120173.600000110.9A208G200-A208 PolarHBondContact O-N 3.23Å
201V91.9Very high87.6Confident80 Ų8096.3 Ų96.349%0.48556%0.561SS.*BIsolated β-bridgetrans-121.5128.3180-175.70000109.1I199 L205I199-V201 HydrophobicContact CG2-CG2 3.92Å; V201-L205 VanDerWaalsContact CG1-CA 3.48Å; V201-L205 HydrophobicContact CG1-CB 4.37Å; V201-L205 HydrophobicContact CG1-CD2 3.9Å
202N91.8Very high87.4Confident58 Ų5897.2 Ų97.231%0.3157%0.568SS.*  trans-77.9169.417676.110.7000111.5H204 L205 K206N202-H204 PolarHBondContact O-N 2.96Å; N202-H204 VanDerWaalsContact OD1-C 3.3Å; N202-H204 WeakPolarHBondContact OD1-CA 3.42Å; N202-H204 WeakPolarHBondContact OD1-CB 3.33Å; N202-H204 PolarHBondContact OD1-N 3.03Å; N202-L205 PolarHBondContact O-N 2.92Å; N202-L205 PolarHBondContact OD1-N 3.37Å; N202-K206 PolarHBondContact N-O 2.95Å; N202-K206 PolarHBondContact OD1-N 3.47Å; N202-K206 PolarHBondContact OD1-O 3.14Å
203P92Very high87.2Confident129 Ų129103.3 Ų103.384%0.83860%0.604SS**THydrogen-bonded Turntrans-58.7-15178.6-26.636000115.2
204H90.2Very high86.9Confident153 Ų153106.7 Ų106.771%0.70863%0.626SS**THydrogen-bonded Turntrans-96.114.6175.8-57.8-59.2000113.3N202 K206N202-H204 PolarHBondContact O-N 2.96Å; N202-H204 VanDerWaalsContact OD1-C 3.3Å; N202-H204 WeakPolarHBondContact OD1-CA 3.42Å; N202-H204 WeakPolarHBondContact OD1-CB 3.33Å; N202-H204 PolarHBondContact OD1-N 3.03Å; H204-K206 HydrophobicContact CB-CG 4.48Å; H204-K206 PolarHBondContact O-N 3.32Å; H204-K206 VanDerWaalsContact O-N 3.14Å
205L87Confident86.7Confident150 Ų150111.2 Ų111.279%0.78566%0.656SS**SBendtrans57.322.7-177-59.6174.4000114.3V201 N202V201-L205 VanDerWaalsContact CG1-CA 3.48Å; V201-L205 HydrophobicContact CG1-CB 4.37Å; V201-L205 HydrophobicContact CG1-CD2 3.9Å; N202-L205 PolarHBondContact O-N 2.92Å; N202-L205 PolarHBondContact OD1-N 3.37Å
206K84.8Confident86.5Confident144 Ų144112.4 Ų112.463%0.62666%0.659SS**  trans-90136.8170.9-58.8-177.1177.1-179.40109.1N202 H204 A208N202-K206 PolarHBondContact N-O 2.95Å; N202-K206 PolarHBondContact OD1-N 3.47Å; N202-K206 PolarHBondContact OD1-O 3.14Å; H204-K206 HydrophobicContact CB-CG 4.48Å; H204-K206 PolarHBondContact O-N 3.32Å; H204-K206 VanDerWaalsContact O-N 3.14Å; K206-A208 PolarHBondContact O-N 2.89Å
207V82.8Confident86.4Confident112 Ų112115.6 Ų115.668%0.67968%0.676SS**BIsolated β-bridgetrans-65.9129.2170.5-172.10000107.4
208A62.2Low86.2Confident143 Ų143118.5 Ų118.5100%1.18269%0.686SS**  trans-67.30176.300000111.8G200 K206G200-A208 PolarHBondContact O-N 3.23Å; K206-A208 PolarHBondContact O-N 2.89Å

Retrieved 208 of 208 residues in 165.1 ms (Link to these results)

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