A0A077YZ71_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZ71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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
1M38.8Very low70.7Confident239 Ų239120.6 Ų120.6100%1.17765%0.648SS**  0112.80-80.9168.65600106.1E3M1-E3 PolarHBondContact O-N 3.27Å; M1-E3 VanDerWaalsContact O-N 3.14Å
2E50.5Low72.5Confident199 Ų199111 Ų11193%0.9360%0.596SS**  trans-72.9101.2176.5-152.2165.3-156.100106.3A4E2-A4 PolarHBondContact O-N 3.28Å
3E53.5Low73.8Confident179 Ų179107.5 Ų107.584%0.83658%0.583SS**  trans-67.6101.8176.6-164.7169.4-155.400106.2M1 T5M1-E3 PolarHBondContact O-N 3.27Å; M1-E3 VanDerWaalsContact O-N 3.14Å; E3-T5 PolarHBondContact O-N 3.03Å
4A55.9Low74.9Confident92 Ų92102.6 Ų102.676%0.7656%0.555SS**  trans-54.5106.6175.700000107.5E2 S6E2-A4 PolarHBondContact O-N 3.28Å; A4-S6 PolarHBondContact O-N 3.03Å
5T61.1Low75.7Confident59 Ų5999.8 Ų99.836%0.36253%0.534SS..  trans-56.4105.4179.833.40000107.2E3 S22 E26E3-T5 PolarHBondContact O-N 3.03Å; T5-S22 WeakPolarHBondContact O-CB 3.2Å; T5-S22 WeakPolarHBondContact OG1-CB 3.32Å; T5-E26 WeakPolarHBondContact CB-OE1 3.47Å; T5-E26 HydrophobicContact CG2-CG 3.91Å; T5-E26 WeakPolarHBondContact CG2-OE1 3.39Å; T5-E26 PolarHBondContact OG1-OE1 3.21Å
6S72.8Confident76.6Confident97 Ų9795.7 Ų95.768%0.67852%0.523SS*.  trans-67.8142.9-171.553.60000110A4 R8A4-S6 PolarHBondContact O-N 3.03Å; S6-R8 PolarHBondContact O-N 3.48Å
7E83Confident77.4Confident115 Ų115102.4 Ų102.454%0.53754%0.539SS..  trans-53.2134.5171.9-60.9175.2119.600109.3K19 L20E7-K19 WeakPolarHBondContact OE1-CE 3.34Å; E7-K19 IonicContact OE1-NZ 2.84Å; E7-K19 PolarHBondContact OE1-NZ 3.09Å; E7-K19 WeakPolarHBondContact OE2-CE 3.49Å; E7-K19 IonicContact OE2-NZ 2.74Å; E7-K19 PolarHBondContact OE2-NZ 2.82Å; E7-L20 WeakPolarHBondContact CA-O 3.49Å
8R89.4Confident78Confident98 Ų9897.1 Ų97.137%0.3751%0.511SS..EExtended strand (participates in β ladder)trans-108.1131.3-178.8-169.9177.8-68.8170.35.9109.8S6 I10 L20 V25 D29S6-R8 PolarHBondContact O-N 3.48Å; R8-I10 HydrophobicContact CG-CG1 4.33Å; R8-L20 PolarHBondContact N-O 3.1Å; R8-L20 PolarHBondContact O-N 2.8Å; R8-V25 HydrophobicContact CB-CG1 4.4Å; R8-V25 HydrophobicContact CB-CG2 3.5Å; R8-V25 VanDerWaalsContact CB-CG2 3.5Å; R8-V25 VanDerWaalsContact CZ-CG1 3.48Å; R8-D29 IonicContact CZ-OD1 3.81Å; R8-D29 IonicContact CZ-OD2 3.34Å; R8-D29 IonicContact NH1-OD1 2.86Å; R8-D29 PolarHBondContact NH1-OD1 3.33Å; R8-D29 IonicContact NH1-OD2 3.14Å; R8-D29 PolarHBondContact NH1-OD2 3.45Å; R8-D29 VanDerWaalsContact NH1-OD2 3.14Å; R8-D29 IonicContact NH2-OD1 3.89Å; R8-D29 IonicContact NH2-OD2 2.71Å; R8-D29 PolarHBondContact NH2-OD2 2.95Å
9I91Very high78.6Confident110 Ų11097.2 Ų97.256%0.56451%0.507SS*.EExtended strand (participates in β ladder)trans-96.7121.5171.8-58.1176.5000108.2R17 V18 K19I9-R17 HydrophobicContact CG2-CB 3.85Å; I9-R17 HydrophobicContact CG2-CG 4.34Å; I9-V18 WeakPolarHBondContact CA-O 3.24Å; I9-K19 HydrophobicContact CG1-CG 4.5Å
10I90.6Very high79.1Confident33 Ų3392.6 Ų92.617%0.16948%0.483CS..EExtended strand (participates in β ladder)trans-108.1138.8175.9-60-174.3000109.3R8 R17 V18 L20 M28 I61R8-I10 HydrophobicContact CG-CG1 4.33Å; I10-R17 CarbonylContact O-C 3.53Å; I10-R17 WeakPolarHBondContact O-CA 3.46Å; I10-V18 PolarHBondContact N-O 3.09Å; I10-V18 PolarHBondContact O-N 3.33Å; I10-L20 HydrophobicContact CD1-CD1 3.42Å; I10-L20 VanDerWaalsContact CD1-CD1 3.42Å; I10-L20 HydrophobicContact CD1-CG 4.29Å; I10-L20 HydrophobicContact CG1-CD1 4.17Å; I10-M28 HydrophobicContact CD1-CE 3.97Å; I10-M28 HydrophobicContact CD1-SD 3.58Å; I10-M28 VanDerWaalsContact CD1-SD 3.58Å; I10-I61 HydrophobicContact CD1-CD1 4.5Å; I10-I61 HydrophobicContact CG2-CD1 4.02Å
11S91.5Very high79.5Confident106 Ų10690.7 Ų90.774%0.74148%0.476SS*.EExtended strand (participates in β ladder)trans-87.2115.6169-168.10000109.7
12D91.4Very high82Confident5 Ų581.5 Ų81.53%0.02744%0.436CS..EExtended strand (participates in β ladder)trans-112.1135.8174.8179.4-83.8000109.8I14 Y15 G16 V18 R113D12-I14 PolarHBondContact O-N 3.3Å; D12-I14 VanDerWaalsContact OD1-CA 3.29Å; D12-I14 WeakPolarHBondContact OD1-CA 3.36Å; D12-I14 WeakPolarHBondContact OD1-CB 3.36Å; D12-I14 PolarHBondContact OD1-N 2.95Å; D12-Y15 WeakPolarHBondContact OD1-CD2 3.49Å; D12-Y15 PolarHBondContact OD1-N 3.29Å; D12-G16 PolarHBondContact N-O 2.99Å; D12-G16 VanDerWaalsContact O-CA 3.23Å; D12-G16 WeakPolarHBondContact O-CA 3.38Å; D12-G16 PolarHBondContact O-N 3.4Å; D12-V18 HydrophobicContact CB-CG2 4.07Å; D12-R113 IonicContact OD1-NH1 3.49Å; D12-R113 IonicContact OD1-NH2 3.19Å; D12-R113 IonicContact OD2-CZ 3.75Å; D12-R113 IonicContact OD2-NH1 2.89Å; D12-R113 PolarHBondContact OD2-NH1 3.32Å; D12-R113 IonicContact OD2-NH2 3.08Å; D12-R113 PolarHBondContact OD2-NH2 2.97Å
13P90.2Very high83.9Confident65 Ų6575.9 Ų75.942%0.42241%0.414SS..THydrogen-bonded Turntrans-69-19.5-177.626.8-34.9000114.2Y116P13-Y116 HydrophobicContact CB-CE1 4.04Å; P13-Y116 HydrophobicContact CG-CE1 4.44Å
14I88.7Confident85.6Confident39 Ų3969.3 Ų69.320%0.239%0.388CS..THydrogen-bonded Turntrans-92.1-43.8-177.6-48.6-55.7000110.8D12 R112 R113 Y116D12-I14 PolarHBondContact O-N 3.3Å; D12-I14 VanDerWaalsContact OD1-CA 3.29Å; D12-I14 WeakPolarHBondContact OD1-CA 3.36Å; D12-I14 WeakPolarHBondContact OD1-CB 3.36Å; D12-I14 PolarHBondContact OD1-N 2.95Å; I14-R112 HydrophobicContact CG2-CB 3.91Å; I14-R113 HydrophobicContact CD1-CB 4.48Å; I14-R113 HydrophobicContact CD1-CG 4.47Å; I14-R113 HydrophobicContact CG1-CB 4.23Å; I14-R113 HydrophobicContact CG1-CG 4.2Å; I14-Y116 VanDerWaalsContact CD1-CB 3.42Å; I14-Y116 HydrophobicContact CD1-CD1 3.76Å; I14-Y116 HydrophobicContact CD1-CD2 4Å; I14-Y116 HydrophobicContact CD1-CG 3.44Å; I14-Y116 VanDerWaalsContact CD1-CG 3.44Å
15Y87.7Confident87.4Confident61 Ų6165.2 Ų65.224%0.23935%0.353CS..THydrogen-bonded Turntrans-109.9-1.9-174.5-54.2-84.7000114.7D12 G62 D109D12-Y15 WeakPolarHBondContact OD1-CD2 3.49Å; D12-Y15 PolarHBondContact OD1-N 3.29Å; Y15-G62 WeakPolarHBondContact CD2-O 3.28Å; Y15-G62 WeakPolarHBondContact CE2-O 3.32Å; Y15-D109 WeakPolarHBondContact CE2-OD1 3.27Å; Y15-D109 VanDerWaalsContact OH-CA 3.27Å; Y15-D109 WeakPolarHBondContact OH-CA 3.28Å; Y15-D109 WeakPolarHBondContact OH-CB 3.27Å; Y15-D109 PolarHBondContact OH-OD1 3.23Å
16G89.2Confident88.9Confident34 Ų3467.1 Ų67.135%0.35136%0.358SS..EExtended strand (participates in β ladder)trans75.4-130.8-175.500000111.7D12 V18D12-G16 PolarHBondContact N-O 2.99Å; D12-G16 VanDerWaalsContact O-CA 3.23Å; D12-G16 WeakPolarHBondContact O-CA 3.38Å; D12-G16 PolarHBondContact O-N 3.4Å; G16-V18 PolarHBondContact O-N 3.49Å
17R90.1Very high89.8Confident210 Ų21067 Ų6779%0.79235%0.349SS*.EExtended strand (participates in β ladder)trans-85.9108.6-177.9-62.5-171.1-152.1175.77110.3I9 I10I9-R17 HydrophobicContact CG2-CB 3.85Å; I9-R17 HydrophobicContact CG2-CG 4.34Å; I10-R17 CarbonylContact O-C 3.53Å; I10-R17 WeakPolarHBondContact O-CA 3.46Å
18V88.3Confident90.3Very high7 Ų761.7 Ų61.74%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-95.2124.2176.7-1780000109.5I9 I10 D12 G16 L20 V64I9-V18 WeakPolarHBondContact CA-O 3.24Å; I10-V18 PolarHBondContact N-O 3.09Å; I10-V18 PolarHBondContact O-N 3.33Å; D12-V18 HydrophobicContact CB-CG2 4.07Å; G16-V18 PolarHBondContact O-N 3.49Å; V18-L20 HydrophobicContact CG1-CD2 4.07Å; V18-V64 HydrophobicContact CG1-CB 4.29Å
19K89.3Confident90.5Very high99 Ų9960.7 Ų60.743%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-91.2118.1175.5-169.9-178.7-175.9-162.60109.7E7 I9E7-K19 WeakPolarHBondContact OE1-CE 3.34Å; E7-K19 IonicContact OE1-NZ 2.84Å; E7-K19 PolarHBondContact OE1-NZ 3.09Å; E7-K19 WeakPolarHBondContact OE2-CE 3.49Å; E7-K19 IonicContact OE2-NZ 2.74Å; E7-K19 PolarHBondContact OE2-NZ 2.82Å; I9-K19 HydrophobicContact CG1-CG 4.5Å
20L89.1Confident90.8Very high4 Ų458.1 Ų58.12%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-97.6127177.5-65.1-174.1000110.9E7 R8 I10 V18 C24 V25 M28 V64E7-L20 WeakPolarHBondContact CA-O 3.49Å; R8-L20 PolarHBondContact N-O 3.1Å; R8-L20 PolarHBondContact O-N 2.8Å; I10-L20 HydrophobicContact CD1-CD1 3.42Å; I10-L20 VanDerWaalsContact CD1-CD1 3.42Å; I10-L20 HydrophobicContact CD1-CG 4.29Å; I10-L20 HydrophobicContact CG1-CD1 4.17Å; V18-L20 HydrophobicContact CG1-CD2 4.07Å; L20-C24 HydrophobicContact CB-CB 4.35Å; L20-V25 HydrophobicContact CB-CG2 3.87Å; L20-M28 HydrophobicContact CD1-CE 4.07Å; L20-M28 HydrophobicContact CD1-SD 3.82Å; L20-V64 HydrophobicContact CD2-CB 3.76Å; L20-V64 HydrophobicContact CD2-CG1 3.9Å; L20-V64 HydrophobicContact CD2-CG2 3.58Å
21P88.4Confident91.1Very high54 Ų5463.8 Ų63.835%0.35134%0.343SS..PPolyproline II helixtrans-57.9153167.6-23.233.8000111.6V23 C24 V25P21-V23 VanDerWaalsContact C-N 3.3Å; P21-V23 HydrophobicContact CB-CG1 4.22Å; P21-V23 PolarHBondContact O-N 3.3Å; P21-C24 WeakPolarHBondContact O-CA 3.3Å; P21-C24 WeakPolarHBondContact O-CB 3.31Å; P21-C24 PolarHBondContact O-N 2.88Å; P21-V25 PolarHBondContact O-N 3.49Å; P21-V25 VanDerWaalsContact O-N 3.07Å
22S89.3Confident91.4Very high46 Ų4664.7 Ų64.732%0.32234%0.336SS..Hα-helixtrans-50.6-46.1-178.862.20000113.7T5 C24 V25 E26T5-S22 WeakPolarHBondContact O-CB 3.2Å; T5-S22 WeakPolarHBondContact OG1-CB 3.32Å; S22-C24 VanDerWaalsContact C-N 3.28Å; S22-C24 PolarHBondContact O-N 3.11Å; S22-V25 WeakPolarHBondContact O-CA 3.31Å; S22-V25 WeakPolarHBondContact O-CB 3.28Å; S22-V25 PolarHBondContact O-N 2.98Å; S22-E26 PolarHBondContact O-N 3.21Å
23V90.4Very high91.6Very high80 Ų8066.4 Ų66.449%0.48534%0.343SS..Hα-helixtrans-59-37176.363.70000112.8P21 I27P21-V23 VanDerWaalsContact C-N 3.3Å; P21-V23 HydrophobicContact CB-CG1 4.22Å; P21-V23 PolarHBondContact O-N 3.3Å; V23-I27 HydrophobicContact CG2-CD1 4.3Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.26Å; V23-I27 PolarHBondContact O-N 3.03Å; V23-I27 VanDerWaalsContact O-N 3.14Å
24C91Very high91.9Very high41 Ų4165.5 Ų65.528%0.27733%0.333SS..Hα-helixtrans-71.3-35.4176.4-64.90000110.9L20 P21 S22 M28L20-C24 HydrophobicContact CB-CB 4.35Å; P21-C24 WeakPolarHBondContact O-CA 3.3Å; P21-C24 WeakPolarHBondContact O-CB 3.31Å; P21-C24 PolarHBondContact O-N 2.88Å; S22-C24 VanDerWaalsContact C-N 3.28Å; S22-C24 PolarHBondContact O-N 3.11Å; C24-M28 WeakPolarHBondContact O-CB 3.45Å; C24-M28 PolarHBondContact O-N 2.85Å
25V91.9Very high92.3Very high6 Ų670.4 Ų70.44%0.03635%0.349CS..Hα-helixtrans-64.5-45.3175.5179.50000110.8R8 L20 P21 S22 I27 M28 D29R8-V25 HydrophobicContact CB-CG1 4.4Å; R8-V25 HydrophobicContact CB-CG2 3.5Å; R8-V25 VanDerWaalsContact CB-CG2 3.5Å; R8-V25 VanDerWaalsContact CZ-CG1 3.48Å; L20-V25 HydrophobicContact CB-CG2 3.87Å; P21-V25 PolarHBondContact O-N 3.49Å; P21-V25 VanDerWaalsContact O-N 3.07Å; S22-V25 WeakPolarHBondContact O-CA 3.31Å; S22-V25 WeakPolarHBondContact O-CB 3.28Å; S22-V25 PolarHBondContact O-N 2.98Å; V25-I27 PolarHBondContact O-N 3.42Å; V25-M28 HydrophobicContact CG1-CE 4.41Å; V25-M28 PolarHBondContact O-N 3.25Å; V25-D29 WeakPolarHBondContact O-CB 3.49Å; V25-D29 PolarHBondContact O-N 2.87Å
26E92.8Very high92.7Very high100 Ų10069.1 Ų69.147%0.46735%0.346SS..Hα-helixtrans-59.3-46.5176.5-72.1170.4-161.300112T5 S22 D29 T30T5-E26 WeakPolarHBondContact CB-OE1 3.47Å; T5-E26 HydrophobicContact CG2-CG 3.91Å; T5-E26 WeakPolarHBondContact CG2-OE1 3.39Å; T5-E26 PolarHBondContact OG1-OE1 3.21Å; S22-E26 PolarHBondContact O-N 3.21Å; E26-D29 PolarHBondContact O-N 3.02Å; E26-T30 WeakPolarHBondContact O-CG2 3.31Å
27I93.4Very high93Very high94 Ų9473.1 Ų73.148%0.48235%0.35SS..Hα-helixtrans-62.9-44.9176.1-67.8167000110.5V23 V25 D29 T30 F33V23-I27 HydrophobicContact CG2-CD1 4.3Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.26Å; V23-I27 PolarHBondContact O-N 3.03Å; V23-I27 VanDerWaalsContact O-N 3.14Å; V25-I27 PolarHBondContact O-N 3.42Å; I27-D29 VanDerWaalsContact C-N 3.28Å; I27-D29 PolarHBondContact O-N 2.86Å; I27-T30 WeakPolarHBondContact O-CB 3.2Å; I27-T30 WeakPolarHBondContact O-CG2 2.98Å; I27-T30 PolarHBondContact O-N 3.49Å; I27-T30 PolarHBondContact O-OG1 3.05Å; I27-F33 HydrophobicContact CG2-CD2 4.14Å; I27-F33 VanDerWaalsContact O-CB 3.24Å; I27-F33 WeakPolarHBondContact O-CB 3.33Å
28M93Very high93.3Very high4 Ų471.7 Ų71.72%0.0235%0.35CS..Hα-helixtrans-61.3-37.6-178.8-179-175.561.500111.7I10 L20 C24 V25 T30 F33 Q34 F57 I61I10-M28 HydrophobicContact CD1-CE 3.97Å; I10-M28 HydrophobicContact CD1-SD 3.58Å; I10-M28 VanDerWaalsContact CD1-SD 3.58Å; L20-M28 HydrophobicContact CD1-CE 4.07Å; L20-M28 HydrophobicContact CD1-SD 3.82Å; C24-M28 WeakPolarHBondContact O-CB 3.45Å; C24-M28 PolarHBondContact O-N 2.85Å; V25-M28 HydrophobicContact CG1-CE 4.41Å; V25-M28 PolarHBondContact O-N 3.25Å; M28-T30 PolarHBondContact O-N 3.03Å; M28-F33 HydrophobicContact CB-CD1 4.07Å; M28-F33 HydrophobicContact CB-CE1 4.19Å; M28-F33 HydrophobicContact CG-CD1 3.79Å; M28-F33 HydrophobicContact CG-CE1 3.78Å; M28-Q34 WeakPolarHBondContact O-CG 3.27Å; M28-Q34 PolarHBondContact O-NE2 3.43Å; M28-F57 HydrophobicContact CG-CE2 3.78Å; M28-F57 HydrophobicContact CG-CZ 3.81Å; M28-F57 HydrophobicContact SD-CE2 4.32Å; M28-F57 HydrophobicContact SD-CZ 3.72Å; M28-I61 HydrophobicContact SD-CG2 4.2Å
29D94.2Very high93.6Very high77 Ų7774.2 Ų74.241%0.41237%0.366SS..THydrogen-bonded Turntrans-80.61.8-178.1-71.3-15.3000113.4R8 V25 E26 I27R8-D29 IonicContact CZ-OD1 3.81Å; R8-D29 IonicContact CZ-OD2 3.34Å; R8-D29 IonicContact NH1-OD1 2.86Å; R8-D29 PolarHBondContact NH1-OD1 3.33Å; R8-D29 IonicContact NH1-OD2 3.14Å; R8-D29 PolarHBondContact NH1-OD2 3.45Å; R8-D29 VanDerWaalsContact NH1-OD2 3.14Å; R8-D29 IonicContact NH2-OD1 3.89Å; R8-D29 IonicContact NH2-OD2 2.71Å; R8-D29 PolarHBondContact NH2-OD2 2.95Å; V25-D29 WeakPolarHBondContact O-CB 3.49Å; V25-D29 PolarHBondContact O-N 2.87Å; E26-D29 PolarHBondContact O-N 3.02Å; I27-D29 VanDerWaalsContact C-N 3.28Å; I27-D29 PolarHBondContact O-N 2.86Å
30T96.5Very high93.8Very high56 Ų5673.8 Ų73.834%0.34436%0.364SS..SBendtrans-73.1148.2170.8680000112.5E26 I27 M28 H32 F33 Q34E26-T30 WeakPolarHBondContact O-CG2 3.31Å; I27-T30 WeakPolarHBondContact O-CB 3.2Å; I27-T30 WeakPolarHBondContact O-CG2 2.98Å; I27-T30 PolarHBondContact O-N 3.49Å; I27-T30 PolarHBondContact O-OG1 3.05Å; M28-T30 PolarHBondContact O-N 3.03Å; T30-H32 PolarHBondContact O-N 3.17Å; T30-H32 VanDerWaalsContact O-N 3.11Å; T30-F33 PolarHBondContact O-N 2.68Å; T30-F33 VanDerWaalsContact O-N 3.14Å; T30-F33 PolarHBondContact OG1-N 3.18Å; T30-Q34 WeakPolarHBondContact O-CB 3.29Å; T30-Q34 VanDerWaalsContact O-CG 3.25Å; T30-Q34 WeakPolarHBondContact O-CG 3.48Å; T30-Q34 PolarHBondContact O-N 3.26Å
31M97.1Very high93.9Very high151 Ų15174 Ų7474%0.74437%0.366SS*.Hα-helixtrans-56-31.8174.271.3179.8-61.500113.1R35M31-R35 PolarHBondContact O-N 2.8Å
32H97.1Very high94Very high126 Ų12672.4 Ų72.458%0.58335%0.354SS*.Hα-helixtrans-67.3-42.2-178.9-63.489.9000111.6T30 R35T30-H32 PolarHBondContact O-N 3.17Å; T30-H32 VanDerWaalsContact O-N 3.11Å; H32-R35 WeakPolarHBondContact O-CB 3.29Å; H32-R35 PolarHBondContact O-NH1 3.27Å
33F95.8Very high94.1Very high40 Ų4072.2 Ų72.218%0.17536%0.359CS..Hα-helixtrans-78-40.5177.1-163-83.7000111.3I27 M28 T30 R35 L36 F57 I61I27-F33 HydrophobicContact CG2-CD2 4.14Å; I27-F33 VanDerWaalsContact O-CB 3.24Å; I27-F33 WeakPolarHBondContact O-CB 3.33Å; M28-F33 HydrophobicContact CB-CD1 4.07Å; M28-F33 HydrophobicContact CB-CE1 4.19Å; M28-F33 HydrophobicContact CG-CD1 3.79Å; M28-F33 HydrophobicContact CG-CE1 3.78Å; T30-F33 PolarHBondContact O-N 2.68Å; T30-F33 VanDerWaalsContact O-N 3.14Å; T30-F33 PolarHBondContact OG1-N 3.18Å; F33-R35 PolarHBondContact O-N 3.08Å; F33-L36 HydrophobicContact CD2-CD1 4.23Å; F33-L36 HydrophobicContact CE2-CD1 4.25Å; F33-L36 HydrophobicContact CG-CD1 4.43Å; F33-L36 HydrophobicContact CZ-CD1 4.48Å; F33-L36 VanDerWaalsContact O-CB 3.24Å; F33-L36 WeakPolarHBondContact O-CB 3.31Å; F33-L36 WeakPolarHBondContact O-CG 3.45Å; F33-L36 PolarHBondContact O-N 3.26Å; F33-F57 AromaticContact CD1-CD2 3.79Å; F33-F57 HydrophobicContact CD1-CD2 3.79Å; F33-F57 AromaticContact CD1-CE2 3.66Å; F33-F57 HydrophobicContact CD1-CE2 3.66Å; F33-F57 AromaticContact CE1-CD2 3.69Å; F33-F57 HydrophobicContact CE1-CD2 3.69Å; F33-F57 AromaticContact CE1-CE2 3.62Å; F33-F57 HydrophobicContact CE1-CE2 3.62Å; F33-F57 HydrophobicContact CE1-CZ 4.4Å; F33-I61 HydrophobicContact CE1-CG2 4.15Å; F33-I61 HydrophobicContact CZ-CG2 4.27Å
34Q97.1Very high94.2Very high46 Ų4674.7 Ų74.722%0.21537%0.368CS..Hα-helixtrans-60.3-29.2176.5-66.5-70.3-38.600112.7M28 T30 L36 R37M28-Q34 WeakPolarHBondContact O-CG 3.27Å; M28-Q34 PolarHBondContact O-NE2 3.43Å; T30-Q34 WeakPolarHBondContact O-CB 3.29Å; T30-Q34 VanDerWaalsContact O-CG 3.25Å; T30-Q34 WeakPolarHBondContact O-CG 3.48Å; T30-Q34 PolarHBondContact O-N 3.26Å; Q34-L36 PolarHBondContact O-N 2.53Å; Q34-L36 VanDerWaalsContact O-N 3.1Å; Q34-R37 WeakPolarHBondContact O-CB 3.14Å; Q34-R37 WeakPolarHBondContact O-CG 3.35Å; Q34-R37 PolarHBondContact O-N 3.42Å
35R97.4Very high94.3Very high143 Ų14374.6 Ų74.654%0.5437%0.367SS..G310 helixtrans-51.4-33.2171.8-171.4-176.875.1-114.51.5112.7M31 H32 F33 R37 F38M31-R35 PolarHBondContact O-N 2.8Å; H32-R35 WeakPolarHBondContact O-CB 3.29Å; H32-R35 PolarHBondContact O-NH1 3.27Å; F33-R35 PolarHBondContact O-N 3.08Å; R35-R37 PolarHBondContact O-N 2.99Å; R35-R37 VanDerWaalsContact O-N 3.09Å; R35-F38 PolarHBondContact O-N 3Å; R35-F38 VanDerWaalsContact O-N 3.09Å
36L96.1Very high94.3Very high34 Ų3476 Ų7618%0.17837%0.374CS..G310 helixtrans-63.4-15.7-178.2-60178.6000113.4F33 Q34 F38 V39 R56 F57F33-L36 HydrophobicContact CD2-CD1 4.23Å; F33-L36 HydrophobicContact CE2-CD1 4.25Å; F33-L36 HydrophobicContact CG-CD1 4.43Å; F33-L36 HydrophobicContact CZ-CD1 4.48Å; F33-L36 VanDerWaalsContact O-CB 3.24Å; F33-L36 WeakPolarHBondContact O-CB 3.31Å; F33-L36 WeakPolarHBondContact O-CG 3.45Å; F33-L36 PolarHBondContact O-N 3.26Å; Q34-L36 PolarHBondContact O-N 2.53Å; Q34-L36 VanDerWaalsContact O-N 3.1Å; L36-F38 PolarHBondContact O-N 3.01Å; L36-V39 PolarHBondContact O-N 3.26Å; L36-R56 HydrophobicContact CB-CB 4.19Å; L36-R56 HydrophobicContact CD2-CB 4.2Å; L36-F57 HydrophobicContact CB-CB 3.91Å; L36-F57 PolarHBondContact O-N 3.23Å
37R95.5Very high94.4Very high117 Ų11779 Ų7944%0.44239%0.386SS..G310 helixtrans-62.7-27.2174.2-68.3-175.4-175.5-77.4-0.4112.6Q34 R35 S55 F57Q34-R37 WeakPolarHBondContact O-CB 3.14Å; Q34-R37 WeakPolarHBondContact O-CG 3.35Å; Q34-R37 PolarHBondContact O-N 3.42Å; R35-R37 PolarHBondContact O-N 2.99Å; R35-R37 VanDerWaalsContact O-N 3.09Å; R37-S55 WeakPolarHBondContact O-CB 3.33Å; R37-F57 HydrophobicContact CB-CB 4.45Å; R37-F57 HydrophobicContact CG-CB 3.86Å; R37-F57 HydrophobicContact CG-CD1 4.26Å; R37-F57 HydrophobicContact CG-CD2 3.72Å; R37-F57 HydrophobicContact CG-CE2 4.36Å; R37-F57 HydrophobicContact CG-CG 3.67Å; R37-F57 VanDerWaalsContact CZ-CZ 3.44Å
38F95.1Very high94.4Very high180 Ų18079.7 Ų79.779%0.78939%0.394SS*.G310 helixtrans-100.96.2-175.7-51.9-73.2000112.9R35 L36R35-F38 PolarHBondContact O-N 3Å; R35-F38 VanDerWaalsContact O-N 3.09Å; L36-F38 PolarHBondContact O-N 3.01Å
39V94.7Very high94.4Very high61 Ų6184.4 Ų84.437%0.3741%0.413SS..SBendtrans-107.7110.5177.2-175.30000108.5L36 S55 R56L36-V39 PolarHBondContact O-N 3.26Å; V39-S55 CarbonylContact O-C 3.55Å; V39-S55 VanDerWaalsContact O-CA 3.26Å; V39-S55 WeakPolarHBondContact O-CA 3.45Å; V39-R56 HydrophobicContact CB-CB 4.25Å; V39-R56 HydrophobicContact CB-CG 4.08Å; V39-R56 HydrophobicContact CG1-CB 4.41Å; V39-R56 HydrophobicContact CG1-CG 3.71Å; V39-R56 PolarHBondContact O-N 2.89Å
40K92.8Very high94.3Very high90 Ų9085.8 Ų85.839%0.39143%0.426SS..BIsolated β-bridgetrans-64.2136.5174.8-66.5-179.4174.2178.60110.3G43 D46K40-G43 WeakPolarHBondContact CD-O 3.48Å; K40-D46 IonicContact NZ-OD1 2.85Å; K40-D46 PolarHBondContact NZ-OD1 3.03Å; K40-D46 IonicContact NZ-OD2 2.62Å; K40-D46 PolarHBondContact NZ-OD2 3.31Å
41C91.2Very high94.1Very high9 Ų986 Ų866%0.06143%0.429CS..THydrogen-bonded Turntrans-66.4-40.9175.4-80.60000112.2H54 S55 R56C41-H54 VanDerWaalsContact CB-CD2 3.4Å; C41-H54 WeakPolarHBondContact CB-CD2 3.15Å; C41-H54 WeakPolarHBondContact CB-NE2 3.4Å; C41-H54 PolarHBondContact N-O 3.33Å; C41-H54 PolarHBondContact SG-CD2 2.82Å; C41-S55 PolarHBondContact SG-O 3.33Å; C41-R56 PolarHBondContact O-NH2 3.26Å; C41-R56 VanDerWaalsContact SG-CA 3.55Å; C41-R56 PolarHBondContact SG-N 2.81Å; C41-R56 VanDerWaalsContact SG-N 3.38Å
42L91.9Very high93.9Very high19 Ų1978.8 Ų78.810%0.09939%0.394CS..THydrogen-bonded Turntrans-101.216.2-170.8-63.3177.7000114.1I44 T45 Y110 D114 I118L42-I44 PolarHBondContact O-N 3.12Å; L42-I44 VanDerWaalsContact O-N 3.16Å; L42-T45 HydrophobicContact CB-CG2 4.24Å; L42-T45 HydrophobicContact CD1-CG2 4.17Å; L42-T45 VanDerWaalsContact O-CB 3.23Å; L42-T45 WeakPolarHBondContact O-CB 3.31Å; L42-T45 PolarHBondContact O-N 3.31Å; L42-T45 PolarHBondContact O-OG1 3.27Å; L42-Y110 HydrophobicContact CD2-CE2 4.27Å; L42-Y110 WeakPolarHBondContact CD2-OH 3.34Å; L42-D114 VanDerWaalsContact CD2-OD2 3.3Å; L42-D114 WeakPolarHBondContact CD2-OD2 3.23Å; L42-I118 HydrophobicContact CD1-CD1 3.86Å; L42-I118 HydrophobicContact CD1-CG1 4.08Å
43G91.7Very high93.6Very high42 Ų4276.7 Ų76.743%0.43339%0.39SS..THydrogen-bonded Turntrans57.9-120.1-179.200000112.3K40 T45K40-G43 WeakPolarHBondContact CD-O 3.48Å; G43-T45 VanDerWaalsContact C-N 3.34Å
44I92.6Very high93.5Very high132 Ų13275 Ų7568%0.67738%0.383SS*.THydrogen-bonded Turntrans-92.314.1179.863.6168000113.3L42 D46 F47L42-I44 PolarHBondContact O-N 3.12Å; L42-I44 VanDerWaalsContact O-N 3.16Å; I44-D46 PolarHBondContact O-N 2.97Å; I44-D46 VanDerWaalsContact O-N 3.1Å; I44-F47 HydrophobicContact CB-CD2 3.74Å; I44-F47 HydrophobicContact CB-CE2 4.08Å; I44-F47 HydrophobicContact CG2-CD2 4.35Å; I44-F47 HydrophobicContact CG2-CE2 4.18Å; I44-F47 WeakPolarHBondContact O-CB 2.99Å; I44-F47 VanDerWaalsContact O-CD2 3.26Å; I44-F47 WeakPolarHBondContact O-CD2 2.96Å; I44-F47 PolarHBondContact O-N 3.07Å
45T91.8Very high93.3Very high40 Ų4073.7 Ų73.725%0.24538%0.379CS..G310 helixtrans-60.8-23-178.3-610000112.2L42 G43 F47 V48 Y49L42-T45 HydrophobicContact CB-CG2 4.24Å; L42-T45 HydrophobicContact CD1-CG2 4.17Å; L42-T45 VanDerWaalsContact O-CB 3.23Å; L42-T45 WeakPolarHBondContact O-CB 3.31Å; L42-T45 PolarHBondContact O-N 3.31Å; L42-T45 PolarHBondContact O-OG1 3.27Å; G43-T45 VanDerWaalsContact C-N 3.34Å; T45-F47 PolarHBondContact O-N 2.97Å; T45-F47 VanDerWaalsContact O-N 3.17Å; T45-V48 PolarHBondContact O-N 3.19Å; T45-Y49 HydrophobicContact CG2-CD2 3.64Å; T45-Y49 HydrophobicContact CG2-CE2 4.47Å; T45-Y49 HydrophobicContact CG2-CG 4.44Å; T45-Y49 PolarHBondContact O-N 3Å
46D93.3Very high93Very high36 Ų3671.5 Ų71.519%0.19337%0.37CS..G310 helixtrans-62.9-18.5175.464.4-57.5000114.3K40 I44 V48 Y49 P50 V53K40-D46 IonicContact NZ-OD1 2.85Å; K40-D46 PolarHBondContact NZ-OD1 3.03Å; K40-D46 IonicContact NZ-OD2 2.62Å; K40-D46 PolarHBondContact NZ-OD2 3.31Å; I44-D46 PolarHBondContact O-N 2.97Å; I44-D46 VanDerWaalsContact O-N 3.1Å; D46-V48 VanDerWaalsContact C-N 3.26Å; D46-V48 PolarHBondContact O-N 3.46Å; D46-Y49 VanDerWaalsContact CA-O 3.32Å; D46-Y49 WeakPolarHBondContact CA-O 3.36Å; D46-P50 WeakPolarHBondContact O-CA 3.47Å; D46-V53 HydrophobicContact CB-CG1 3.96Å
47F94.4Very high92.9Very high162 Ų16270.3 Ų70.371%0.71136%0.364SS*.G310 helixtrans-73-18.2171.9-70-96.8000113.3I44 T45I44-F47 HydrophobicContact CB-CD2 3.74Å; I44-F47 HydrophobicContact CB-CE2 4.08Å; I44-F47 HydrophobicContact CG2-CD2 4.35Å; I44-F47 HydrophobicContact CG2-CE2 4.18Å; I44-F47 WeakPolarHBondContact O-CB 2.99Å; I44-F47 VanDerWaalsContact O-CD2 3.26Å; I44-F47 WeakPolarHBondContact O-CD2 2.96Å; I44-F47 PolarHBondContact O-N 3.07Å; T45-F47 PolarHBondContact O-N 2.97Å; T45-F47 VanDerWaalsContact O-N 3.17Å
48V94Very high92.7Very high109 Ų10966.1 Ų66.166%0.66135%0.351SS*.THydrogen-bonded Turntrans-109.9-40.8177.7-178.70000111T45 D46T45-V48 PolarHBondContact O-N 3.19Å; D46-V48 VanDerWaalsContact C-N 3.26Å; D46-V48 PolarHBondContact O-N 3.46Å
49Y92.3Very high92.5Very high103 Ų10358.1 Ų58.140%0.40432%0.316SS..  trans-119.991.6177.5-61.1-83.6000108.8T45 D46 S51 G52 I118T45-Y49 HydrophobicContact CG2-CD2 3.64Å; T45-Y49 HydrophobicContact CG2-CE2 4.47Å; T45-Y49 HydrophobicContact CG2-CG 4.44Å; T45-Y49 PolarHBondContact O-N 3Å; D46-Y49 VanDerWaalsContact CA-O 3.32Å; D46-Y49 WeakPolarHBondContact CA-O 3.36Å; Y49-S51 PolarHBondContact O-N 3.05Å; Y49-G52 WeakPolarHBondContact O-CA 3.39Å; Y49-G52 PolarHBondContact O-N 3.11Å; Y49-I118 HydrophobicContact CD1-CG2 3.55Å; Y49-I118 HydrophobicContact CD2-CG2 4.31Å; Y49-I118 HydrophobicContact CE1-CG2 3.65Å; Y49-I118 HydrophobicContact CE2-CG2 4.4Å; Y49-I118 HydrophobicContact CG-CG2 3.88Å
50P92.6Very high92.3Very high106 Ų10657.8 Ų57.869%0.68832%0.317SS*.THydrogen-bonded Turntrans-55.6-20.6-174.2-28.735.9000115.2D46 V53D46-P50 WeakPolarHBondContact O-CA 3.47Å; P50-V53 VanDerWaalsContact O-CG1 3.29Å; P50-V53 WeakPolarHBondContact O-CG1 3.35Å
51S92.6Very high91.9Very high59 Ų5954 Ų5441%0.41330%0.301SS..THydrogen-bonded Turntrans-83.7-10.7175.352.80000114.1Y49 V53 Y117Y49-S51 PolarHBondContact O-N 3.05Å; S51-V53 PolarHBondContact O-N 3.1Å; S51-Y117 CarbonylContact C-O 3.51Å; S51-Y117 VanDerWaalsContact C-O 3.25Å; S51-Y117 WeakPolarHBondContact CB-O 3.1Å; S51-Y117 WeakPolarHBondContact O-CD1 3.4Å; S51-Y117 PolarHBondContact OG-O 3.16Å
52G91.5Very high90.9Very high1 Ų153.8 Ų53.81%0.0130%0.299CS..  trans-72.646.3179.500000115Y49Y49-G52 WeakPolarHBondContact O-CA 3.39Å; Y49-G52 PolarHBondContact O-N 3.11Å
53V91.4Very high89.8Confident82 Ų8254.8 Ų54.850%0.49730%0.302SS..  trans-106.712.3-165-650000115.1D46 P50 S51D46-V53 HydrophobicContact CB-CG1 3.96Å; P50-V53 VanDerWaalsContact O-CG1 3.29Å; P50-V53 WeakPolarHBondContact O-CG1 3.35Å; S51-V53 PolarHBondContact O-N 3.1Å
54H92.8Very high88.2Confident4 Ų455.7 Ų55.72%0.01930%0.299CS..  trans-76.9153-176.369.5-86.8000113.1C41 R113 D114 Y117C41-H54 VanDerWaalsContact CB-CD2 3.4Å; C41-H54 WeakPolarHBondContact CB-CD2 3.15Å; C41-H54 WeakPolarHBondContact CB-NE2 3.4Å; C41-H54 PolarHBondContact N-O 3.33Å; C41-H54 PolarHBondContact SG-CD2 2.82Å; H54-R113 VanDerWaalsContact CD2-CD 3.49Å; H54-R113 WeakPolarHBondContact CD2-CD 3.31Å; H54-D114 IonicContact CE1-OD1 3.73Å; H54-D114 PolarHBondContact CE1-OD1 2.85Å; H54-D114 IonicContact NE2-OD1 3.47Å; H54-D114 PolarHBondContact NE2-OD1 2.8Å; H54-Y117 HydrophobicContact CB-CD1 4.18Å; H54-Y117 HydrophobicContact CB-CD2 3.52Å; H54-Y117 HydrophobicContact CB-CE1 3.95Å; H54-Y117 HydrophobicContact CB-CE2 3.32Å; H54-Y117 HydrophobicContact CB-CG 3.97Å; H54-Y117 AromaticContact CG-CD2 3.5Å; H54-Y117 VanDerWaalsContact CG-CD2 3.5Å; H54-Y117 AromaticContact CG-CE2 3.76Å; H54-Y117 AromaticContact ND1-CD2 3.31Å; H54-Y117 VanDerWaalsContact ND1-CD2 3.31Å; H54-Y117 WeakPolarHBondContact ND1-CD2 2.95Å; H54-Y117 AromaticContact ND1-CG 3.5Å
55S93Very high86.4Confident19 Ų1955.3 Ų55.313%0.13330%0.299CS..BIsolated β-bridgetrans-104.9156.1-174.167.40000112.6R37 V39 C41 F57 T58 H59R37-S55 WeakPolarHBondContact O-CB 3.33Å; V39-S55 CarbonylContact O-C 3.55Å; V39-S55 VanDerWaalsContact O-CA 3.26Å; V39-S55 WeakPolarHBondContact O-CA 3.45Å; C41-S55 PolarHBondContact SG-O 3.33Å; S55-F57 PolarHBondContact O-N 2.97Å; S55-F57 VanDerWaalsContact O-N 3.09Å; S55-T58 PolarHBondContact O-N 3.33Å; S55-T58 PolarHBondContact O-OG1 3.39Å; S55-H59 PolarHBondContact O-N 3.08Å
56R92.7Very high84.4Confident96 Ų9655.1 Ų55.136%0.36230%0.301SS..Hα-helixtrans-57-24.2174.1-70.5-74.3-178.7177.8-4.4112.2L36 V39 C41 S60L36-R56 HydrophobicContact CB-CB 4.19Å; L36-R56 HydrophobicContact CD2-CB 4.2Å; V39-R56 HydrophobicContact CB-CB 4.25Å; V39-R56 HydrophobicContact CB-CG 4.08Å; V39-R56 HydrophobicContact CG1-CB 4.41Å; V39-R56 HydrophobicContact CG1-CG 3.71Å; V39-R56 PolarHBondContact O-N 2.89Å; C41-R56 PolarHBondContact O-NH2 3.26Å; C41-R56 VanDerWaalsContact SG-CA 3.55Å; C41-R56 PolarHBondContact SG-N 2.81Å; C41-R56 VanDerWaalsContact SG-N 3.38Å; R56-S60 WeakPolarHBondContact O-CB 3.19Å; R56-S60 PolarHBondContact O-N 2.94Å; R56-S60 PolarHBondContact O-OG 2.94Å
57F93.4Very high82.4Confident9 Ų958.2 Ų58.24%0.03931%0.31CS..Hα-helixtrans-61.1-52.3172.3179.8-86000111.5M28 F33 L36 R37 S55 H59 S60 I61M28-F57 HydrophobicContact CG-CE2 3.78Å; M28-F57 HydrophobicContact CG-CZ 3.81Å; M28-F57 HydrophobicContact SD-CE2 4.32Å; M28-F57 HydrophobicContact SD-CZ 3.72Å; F33-F57 AromaticContact CD1-CD2 3.79Å; F33-F57 HydrophobicContact CD1-CD2 3.79Å; F33-F57 AromaticContact CD1-CE2 3.66Å; F33-F57 HydrophobicContact CD1-CE2 3.66Å; F33-F57 AromaticContact CE1-CD2 3.69Å; F33-F57 HydrophobicContact CE1-CD2 3.69Å; F33-F57 AromaticContact CE1-CE2 3.62Å; F33-F57 HydrophobicContact CE1-CE2 3.62Å; F33-F57 HydrophobicContact CE1-CZ 4.4Å; L36-F57 HydrophobicContact CB-CB 3.91Å; L36-F57 PolarHBondContact O-N 3.23Å; R37-F57 HydrophobicContact CB-CB 4.45Å; R37-F57 HydrophobicContact CG-CB 3.86Å; R37-F57 HydrophobicContact CG-CD1 4.26Å; R37-F57 HydrophobicContact CG-CD2 3.72Å; R37-F57 HydrophobicContact CG-CE2 4.36Å; R37-F57 HydrophobicContact CG-CG 3.67Å; R37-F57 VanDerWaalsContact CZ-CZ 3.44Å; S55-F57 PolarHBondContact O-N 2.97Å; S55-F57 VanDerWaalsContact O-N 3.09Å; F57-H59 VanDerWaalsContact C-N 3.3Å; F57-H59 PolarHBondContact O-N 3.45Å; F57-S60 PolarHBondContact O-N 3.11Å; F57-I61 HydrophobicContact CE1-CD1 4.18Å; F57-I61 HydrophobicContact CE1-CG2 4.24Å; F57-I61 HydrophobicContact CZ-CG2 4.34Å; F57-I61 PolarHBondContact O-N 2.92Å
58T90.9Very high80Confident30 Ų3059.4 Ų59.418%0.18431%0.312CS..Hα-helixtrans-65-35.1-178.957.10000112.4S55 I61 G62 R113S55-T58 PolarHBondContact O-N 3.33Å; S55-T58 PolarHBondContact O-OG1 3.39Å; T58-I61 WeakPolarHBondContact O-CG1 3Å; T58-G62 PolarHBondContact O-N 2.83Å; T58-R113 PolarHBondContact O-NH1 2.87Å; T58-R113 PolarHBondContact O-NH2 2.91Å; T58-R113 VanDerWaalsContact O-NH2 3.16Å
59H90.8Very high77.5Confident11 Ų1157.6 Ų57.65%0.05130%0.302CS..Hα-helixtrans-61.5-48.1171.2179.684.4000111.9S55 F57 I61 G62 D106 D109S55-H59 PolarHBondContact O-N 3.08Å; F57-H59 VanDerWaalsContact C-N 3.3Å; F57-H59 PolarHBondContact O-N 3.45Å; H59-I61 VanDerWaalsContact C-N 3.26Å; H59-I61 PolarHBondContact O-N 3.24Å; H59-G62 PolarHBondContact O-N 3.17Å; H59-D106 IonicContact CD2-OD1 3.53Å; H59-D106 PolarHBondContact CE1-O 3.25Å; H59-D106 IonicContact CE1-OD1 3.49Å; H59-D106 IonicContact NE2-OD1 2.79Å; H59-D106 PolarHBondContact NE2-OD1 3.47Å; H59-D109 WeakPolarHBondContact CA-OD2 3.49Å; H59-D109 IonicContact CE1-OD2 3.82Å; H59-D109 PolarHBondContact CE1-OD2 2.96Å; H59-D109 IonicContact CG-OD2 3.76Å; H59-D109 IonicContact ND1-OD2 2.86Å; H59-D109 PolarHBondContact ND1-OD2 3.49Å
60S90Very high75Confident54 Ų5456.5 Ų56.538%0.37830%0.303SS..Hα-helixtrans-67.4-21.9-174.7-570000114.2R56 F57R56-S60 WeakPolarHBondContact O-CB 3.19Å; R56-S60 PolarHBondContact O-N 2.94Å; R56-S60 PolarHBondContact O-OG 2.94Å; F57-S60 PolarHBondContact O-N 3.11Å
61I85.9Confident72.4Confident12 Ų1258 Ų586%0.06230%0.301CS..Hα-helixtrans-89.2-19.8177.261.3170.9000113.4I10 M28 F33 F57 T58 H59 Y63I10-I61 HydrophobicContact CD1-CD1 4.5Å; I10-I61 HydrophobicContact CG2-CD1 4.02Å; M28-I61 HydrophobicContact SD-CG2 4.2Å; F33-I61 HydrophobicContact CE1-CG2 4.15Å; F33-I61 HydrophobicContact CZ-CG2 4.27Å; F57-I61 HydrophobicContact CE1-CD1 4.18Å; F57-I61 HydrophobicContact CE1-CG2 4.24Å; F57-I61 HydrophobicContact CZ-CG2 4.34Å; F57-I61 PolarHBondContact O-N 2.92Å; T58-I61 WeakPolarHBondContact O-CG1 3Å; H59-I61 VanDerWaalsContact C-N 3.26Å; H59-I61 PolarHBondContact O-N 3.24Å; I61-Y63 VanDerWaalsContact C-N 3.32Å; I61-Y63 PolarHBondContact O-N 2.94Å
62G70.4Confident69.9Low3 Ų361.6 Ų61.63%0.03132%0.315CS..THydrogen-bonded Turntrans-66.3-25.3-161.700000115.8Y15 T58 H59Y15-G62 WeakPolarHBondContact CD2-O 3.28Å; Y15-G62 WeakPolarHBondContact CE2-O 3.32Å; T58-G62 PolarHBondContact O-N 2.83Å; H59-G62 PolarHBondContact O-N 3.17Å
63Y67.3Low67.8Low41 Ų4165.9 Ų65.916%0.16134%0.337CS..THydrogen-bonded Turntrans-104.46.7-167-156.1-89.5000115.6I61 D65 A66 V105I61-Y63 VanDerWaalsContact C-N 3.32Å; I61-Y63 PolarHBondContact O-N 2.94Å; Y63-D65 PolarHBondContact O-N 3.41Å; Y63-A66 HydrophobicContact CD1-CB 4.44Å; Y63-A66 HydrophobicContact CD2-CB 4.46Å; Y63-A66 HydrophobicContact CE1-CB 3.69Å; Y63-A66 HydrophobicContact CE2-CB 3.81Å; Y63-A66 WeakPolarHBondContact OH-CB 3.41Å; Y63-A66 PolarHBondContact OH-O 3.32Å; Y63-V105 HydrophobicContact CD1-CB 3.29Å; Y63-V105 HydrophobicContact CD1-CG1 3.74Å; Y63-V105 HydrophobicContact CD1-CG2 3.49Å; Y63-V105 VanDerWaalsContact CD1-CG2 3.49Å; Y63-V105 HydrophobicContact CD2-CB 3.77Å; Y63-V105 HydrophobicContact CE1-CB 3.2Å; Y63-V105 HydrophobicContact CE1-CG1 3.09Å; Y63-V105 HydrophobicContact CE1-CG2 3.82Å; Y63-V105 HydrophobicContact CE2-CB 3.59Å; Y63-V105 HydrophobicContact CE2-CG1 3.96Å; Y63-V105 HydrophobicContact CG-CB 3.63Å; Y63-V105 HydrophobicContact CG-CG1 4.47Å; Y63-V105 HydrophobicContact CG-CG2 3.94Å; Y63-V105 WeakPolarHBondContact OH-CG1 3.07Å
64V58.9Low65.4Low60 Ų6070.1 Ų70.136%0.36436%0.357SS..THydrogen-bonded Turntrans-61.4-15.3-169.3178.70000114.5V18 L20V18-V64 HydrophobicContact CG1-CB 4.29Å; L20-V64 HydrophobicContact CD2-CB 3.76Å; L20-V64 HydrophobicContact CD2-CG1 3.9Å; L20-V64 HydrophobicContact CD2-CG2 3.58Å
65D54.5Low63.4Low125 Ų12572.2 Ų72.267%0.66838%0.375SS*.THydrogen-bonded Turntrans-109.80.7-170.9-155.433.4000117.1Y63Y63-D65 PolarHBondContact O-N 3.41Å
66A50.8Low61.4Low35 Ų3576.6 Ų76.629%0.28941%0.406SS..  trans-107.834.7-169.300000115.5Y63Y63-A66 HydrophobicContact CD1-CB 4.44Å; Y63-A66 HydrophobicContact CD2-CB 4.46Å; Y63-A66 HydrophobicContact CE1-CB 3.69Å; Y63-A66 HydrophobicContact CE2-CB 3.81Å; Y63-A66 WeakPolarHBondContact OH-CB 3.41Å; Y63-A66 PolarHBondContact OH-O 3.32Å
67Y50.4Low59.2Low101 Ų10180.7 Ų80.740%0.39643%0.433SS..  trans-106104.4-174-151.6-101.6000115I95Y67-I95 HydrophobicContact CD1-CD1 4.28Å; Y67-I95 HydrophobicContact CD2-CB 4.46Å; Y67-I95 HydrophobicContact CD2-CD1 4.26Å; Y67-I95 HydrophobicContact CD2-CG1 4.39Å; Y67-I95 HydrophobicContact CD2-CG2 3.37Å; Y67-I95 HydrophobicContact CE1-CD1 3.39Å; Y67-I95 HydrophobicContact CE1-CG1 4.19Å; Y67-I95 HydrophobicContact CE2-CB 3.73Å; Y67-I95 HydrophobicContact CE2-CD1 3.43Å; Y67-I95 VanDerWaalsContact CE2-CD1 3.43Å; Y67-I95 HydrophobicContact CE2-CG1 3.34Å; Y67-I95 HydrophobicContact CE2-CG2 3.06Å; Y67-I95 HydrophobicContact CG-CG2 4.42Å; Y67-I95 WeakPolarHBondContact OH-CD1 3.4Å; Y67-I95 WeakPolarHBondContact OH-CG1 3.41Å
68Y43.8Very low57.8Low188 Ų18883 Ų8374%0.73746%0.458SS*.  trans-102.2135.4160.9-84.2-86.3000109.6L70Y68-L70 PolarHBondContact O-N 3.24Å
69P42.5Very low56.8Low70 Ų7087.3 Ų87.346%0.45549%0.49SS..  trans-72.5114.4176.727.9-30.7000110.4F91P69-F91 HydrophobicContact CB-CE2 4.31Å
70L39.2Very low56.3Low81 Ų8191.1 Ų91.142%0.42450%0.504SS..  trans-81.2115.6163.2-68.5175.4000108.5Y68 F91 F130Y68-L70 PolarHBondContact O-N 3.24Å; L70-F91 VanDerWaalsContact O-CD2 3.31Å; L70-F91 WeakPolarHBondContact O-CD2 3.36Å; L70-F130 HydrophobicContact CD1-CD1 3.81Å; L70-F130 HydrophobicContact CD1-CE1 3.91Å
71H38.2Very low55.9Low138 Ų13893.2 Ų93.264%0.63952%0.519SS*.  trans-85.6150.3171.5-71.2-92.2000110.5
72D38.9Very low55.7Low134 Ų13497.5 Ų97.572%0.71754%0.535SS*.  trans92.294.6177.4-65.2-25.3000117.4
73L47.4Very low56.1Low90 Ų90107 Ų10747%0.47158%0.576SS.*  trans-133.398.1152-140.190.5000109.7A75 E94L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 HydrophobicContact CD2-CB 4.29Å; L73-A75 PolarHBondContact O-N 3.08Å; L73-A75 VanDerWaalsContact O-N 3.11Å; L73-E94 WeakPolarHBondContact CD2-OE1 3.38Å
74N41.9Very low57Low172 Ų172107.9 Ų107.992%0.9260%0.597SS**  trans-76.586.6163.4-81.6-33.2000108.4
75A50.4Low58.3Low47 Ų47111.6 Ų111.639%0.38860%0.604SS.*  trans-91.3127.3173.300000111.4L73 K87L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 HydrophobicContact CD2-CB 4.29Å; L73-A75 PolarHBondContact O-N 3.08Å; L73-A75 VanDerWaalsContact O-N 3.11Å; A75-K87 VanDerWaalsContact O-CE 3.24Å; A75-K87 WeakPolarHBondContact O-CE 3.3Å; A75-K87 PolarHBondContact O-NZ 3.1Å
76S52.3Low59.9Low112 Ų112108.1 Ų108.178%0.78359%0.59SS**  trans-58.8174.6-175.3440000116G78S76-G78 PolarHBondContact O-N 3.48Å
77I46.2Very low61.5Low182 Ų182110.7 Ų110.793%0.93359%0.594SS**SBendtrans-61.7106.9-166.7-63.5157.4000111.9
78G62.8Low63.2Low56 Ų56113 Ų11358%0.57761%0.609SS**SBendtrans-166.4148.9170.900000108.5S76 W80S76-G78 PolarHBondContact O-N 3.48Å; G78-W80 PolarHBondContact O-N 2.92Å
79S71.2Confident65.1Low121 Ų121109 Ų10985%0.84660%0.595SS**  trans-62.9125.1178.758.40000110.2S81S79-S81 PolarHBondContact O-N 3.29Å
80W80.4Confident67.1Low92 Ų92106.4 Ų106.435%0.34858%0.58SS.*  trans-57117.2177.1-179.2-106.8000111G78 Y82 R85 K87 A90 Y93G78-W80 PolarHBondContact O-N 2.92Å; W80-Y82 AromaticContact CH2-CD2 3.81Å; W80-Y82 HydrophobicContact CH2-CD2 3.81Å; W80-Y82 HydrophobicContact CH2-CG 4.43Å; W80-Y82 HydrophobicContact CZ2-CD2 4.05Å; W80-Y82 HydrophobicContact CZ2-CG 4.27Å; W80-Y82 HydrophobicContact CZ3-CD2 4.1Å; W80-Y82 PolarHBondContact NE1-O 3.38Å; W80-R85 WeakPolarHBondContact CZ2-O 3.42Å; W80-R85 PolarHBondContact NE1-O 3.17Å; W80-K87 HydrophobicContact CD2-CB 4.02Å; W80-K87 HydrophobicContact CD2-CG 4.44Å; W80-K87 HydrophobicContact CE3-CB 3.88Å; W80-K87 HydrophobicContact CE3-CD 4.48Å; W80-K87 HydrophobicContact CE3-CG 3.81Å; W80-K87 HydrophobicContact CG-CB 4.5Å; W80-K87 HydrophobicContact CZ3-CB 4.3Å; W80-K87 HydrophobicContact CZ3-CG 4.1Å; W80-A90 HydrophobicContact CH2-CB 3.52Å; W80-A90 HydrophobicContact CZ3-CB 3.61Å; W80-Y93 HydrophobicContact CH2-CD2 4.21Å; W80-Y93 HydrophobicContact CH2-CE2 4.14Å; W80-Y93 HydrophobicContact CZ2-CD2 4.4Å; W80-Y93 AromaticContact CZ2-CE2 3.86Å; W80-Y93 HydrophobicContact CZ2-CE2 3.86Å
81S80.9Confident69.1Low98 Ų98104.4 Ų104.469%0.68557%0.568SS**  trans-96.6-18.1-172.258.90000114.2S79S79-S81 PolarHBondContact O-N 3.29Å
82Y81.6Confident71.3Confident101 Ų101100.7 Ų100.740%0.39655%0.552SS.*  trans-79.5136.8-175.2-68.3-84.2000112.4W80 Y93W80-Y82 AromaticContact CH2-CD2 3.81Å; W80-Y82 HydrophobicContact CH2-CD2 3.81Å; W80-Y82 HydrophobicContact CH2-CG 4.43Å; W80-Y82 HydrophobicContact CZ2-CD2 4.05Å; W80-Y82 HydrophobicContact CZ2-CG 4.27Å; W80-Y82 HydrophobicContact CZ3-CD2 4.1Å; W80-Y82 PolarHBondContact NE1-O 3.38Å; Y82-Y93 AromaticContact CD1-CD1 3.71Å; Y82-Y93 HydrophobicContact CD1-CD1 3.71Å; Y82-Y93 HydrophobicContact CD1-CD2 4.48Å; Y82-Y93 AromaticContact CD1-CE1 3.63Å; Y82-Y93 HydrophobicContact CD1-CE1 3.63Å; Y82-Y93 HydrophobicContact CD1-CE2 4.4Å; Y82-Y93 HydrophobicContact CD1-CG 4.14Å; Y82-Y93 AromaticContact CD1-CZ 4Å; Y82-Y93 AromaticContact CE1-CD1 3.89Å; Y82-Y93 HydrophobicContact CE1-CD1 3.89Å; Y82-Y93 HydrophobicContact CE1-CE1 4.27Å; Y82-Y93 HydrophobicContact CE1-CG 4.19Å; Y82-Y93 HydrophobicContact CG-CD1 4.33Å; Y82-Y93 HydrophobicContact CG-CD2 4.32Å; Y82-Y93 HydrophobicContact CG-CE1 4.12Å; Y82-Y93 HydrophobicContact CG-CE2 4.1Å; Y82-Y93 HydrophobicContact CG-CG 4.42Å
83K79.6Confident73.5Confident204 Ų20497.3 Ų97.389%0.88753%0.53SS*.SBendtrans-97.6138.9165.7-61.3-177.3-178.7-179.90108.7Y93K83-Y93 PolarHBondContact O-OH 2.82Å; K83-Y93 VanDerWaalsContact O-OH 3.11Å
84G85.9Confident75.3Confident59 Ų5995.2 Ų95.261%0.60852%0.518SS*.SBendtrans117.9-28.3174.100000115.7
85R85.9Confident77.3Confident138 Ų13888.2 Ų88.252%0.52148%0.48SS..SBendtrans-143.5154.9172.7-61.8-67.2-178.6-96.22.2110.5W80 K89 Y93W80-R85 WeakPolarHBondContact CZ2-O 3.42Å; W80-R85 PolarHBondContact NE1-O 3.17Å; R85-K89 HydrophobicContact CB-CB 4.12Å; R85-Y93 HydrophobicContact CB-CE2 3.83Å; R85-Y93 HydrophobicContact CG-CE2 4.3Å; R85-Y93 PolarHBondContact N-OH 3.33Å; R85-Y93 VanDerWaalsContact N-OH 3.1Å
86S88.1Confident79Confident52 Ų5291.8 Ų91.836%0.36449%0.492SS..  trans-76.5165.9173.759.40000111.8E88 K89S86-E88 WeakPolarHBondContact CB-OE2 3.34Å; S86-E88 PolarHBondContact O-N 2.74Å; S86-E88 PolarHBondContact OG-OE2 3.22Å; S86-K89 PolarHBondContact O-N 3.26Å
87K84Confident80.6Confident89 Ų8989.1 Ų89.139%0.38748%0.476SS..G310 helixtrans-60.5-32.8-176.8-174.6176.1179.6178.70112.4A75 W80 K89 A90A75-K87 VanDerWaalsContact O-CE 3.24Å; A75-K87 WeakPolarHBondContact O-CE 3.3Å; A75-K87 PolarHBondContact O-NZ 3.1Å; W80-K87 HydrophobicContact CD2-CB 4.02Å; W80-K87 HydrophobicContact CD2-CG 4.44Å; W80-K87 HydrophobicContact CE3-CB 3.88Å; W80-K87 HydrophobicContact CE3-CD 4.48Å; W80-K87 HydrophobicContact CE3-CG 3.81Å; W80-K87 HydrophobicContact CG-CB 4.5Å; W80-K87 HydrophobicContact CZ3-CB 4.3Å; W80-K87 HydrophobicContact CZ3-CG 4.1Å; K87-K89 PolarHBondContact O-N 3.37Å; K87-K89 VanDerWaalsContact O-N 3.08Å; K87-A90 WeakPolarHBondContact O-CB 3.43Å; K87-A90 PolarHBondContact O-N 3.21Å
88E85.8Confident82.5Confident149 Ų14981 Ų8170%0.69644%0.435SS*.G310 helixtrans-62.1-18177.3-45.276.6-122.100112.7S86S86-E88 WeakPolarHBondContact CB-OE2 3.34Å; S86-E88 PolarHBondContact O-N 2.74Å; S86-E88 PolarHBondContact OG-OE2 3.22Å
89K84.8Confident83.5Confident103 Ų10387.4 Ų87.445%0.44845%0.446SS..G310 helixtrans-107.921.7176.4-67-174.9177.9-1800112.9R85 S86 K87 F91 L92R85-K89 HydrophobicContact CB-CB 4.12Å; S86-K89 PolarHBondContact O-N 3.26Å; K87-K89 PolarHBondContact O-N 3.37Å; K87-K89 VanDerWaalsContact O-N 3.08Å; K89-F91 PolarHBondContact O-N 2.97Å; K89-L92 HydrophobicContact CB-CD1 4.01Å; K89-L92 HydrophobicContact CB-CG 4.39Å; K89-L92 HydrophobicContact CD-CD1 4.24Å; K89-L92 HydrophobicContact CG-CD1 4.44Å; K89-L92 WeakPolarHBondContact O-CB 3.32Å; K89-L92 PolarHBondContact O-N 2.98Å; K89-L92 VanDerWaalsContact O-N 3.08Å
90A83.8Confident83.8Confident17 Ų1787.3 Ų87.314%0.1444%0.436CS..G310 helixtrans-57.2-36.9-17800000113.7W80 K87 L92 Y93W80-A90 HydrophobicContact CH2-CB 3.52Å; W80-A90 HydrophobicContact CZ3-CB 3.61Å; K87-A90 WeakPolarHBondContact O-CB 3.43Å; K87-A90 PolarHBondContact O-N 3.21Å; A90-L92 PolarHBondContact O-N 3.1Å; A90-Y93 PolarHBondContact O-N 3.38Å
91F82.2Confident84Confident38 Ų3887 Ų8717%0.16745%0.445CS..G310 helixtrans-55.4-25.4177.369.1-87.7000113.4P69 L70 K89 Y93 E94P69-F91 HydrophobicContact CB-CE2 4.31Å; L70-F91 VanDerWaalsContact O-CD2 3.31Å; L70-F91 WeakPolarHBondContact O-CD2 3.36Å; K89-F91 PolarHBondContact O-N 2.97Å; F91-Y93 VanDerWaalsContact C-N 3.25Å; F91-Y93 PolarHBondContact O-N 3.49Å; F91-E94 PolarHBondContact O-N 3.06Å
92L84.3Confident84Confident60 Ų6083.4 Ų83.431%0.31442%0.423SS..G310 helixtrans-66.4-26177.6-63.6-178.4000113.3K89 A90 E94 I95K89-L92 HydrophobicContact CB-CD1 4.01Å; K89-L92 HydrophobicContact CB-CG 4.39Å; K89-L92 HydrophobicContact CD-CD1 4.24Å; K89-L92 HydrophobicContact CG-CD1 4.44Å; K89-L92 WeakPolarHBondContact O-CB 3.32Å; K89-L92 PolarHBondContact O-N 2.98Å; K89-L92 VanDerWaalsContact O-N 3.08Å; A90-L92 PolarHBondContact O-N 3.1Å; L92-E94 VanDerWaalsContact C-N 3.25Å; L92-E94 PolarHBondContact O-N 3.4Å; L92-I95 HydrophobicContact CB-CD1 4.17Å; L92-I95 HydrophobicContact CD2-CD1 3.72Å; L92-I95 VanDerWaalsContact O-CD1 3.31Å; L92-I95 WeakPolarHBondContact O-CD1 3.21Å; L92-I95 WeakPolarHBondContact O-CG1 3.23Å
93Y84.1Confident84.1Confident64 Ų6482.7 Ų82.725%0.25143%0.426SS..G310 helixtrans-77.4-13.1177.9-68.8-82.1000112.9W80 Y82 K83 R85 A90 F91W80-Y93 HydrophobicContact CH2-CD2 4.21Å; W80-Y93 HydrophobicContact CH2-CE2 4.14Å; W80-Y93 HydrophobicContact CZ2-CD2 4.4Å; W80-Y93 AromaticContact CZ2-CE2 3.86Å; W80-Y93 HydrophobicContact CZ2-CE2 3.86Å; Y82-Y93 AromaticContact CD1-CD1 3.71Å; Y82-Y93 HydrophobicContact CD1-CD1 3.71Å; Y82-Y93 HydrophobicContact CD1-CD2 4.48Å; Y82-Y93 AromaticContact CD1-CE1 3.63Å; Y82-Y93 HydrophobicContact CD1-CE1 3.63Å; Y82-Y93 HydrophobicContact CD1-CE2 4.4Å; Y82-Y93 HydrophobicContact CD1-CG 4.14Å; Y82-Y93 AromaticContact CD1-CZ 4Å; Y82-Y93 AromaticContact CE1-CD1 3.89Å; Y82-Y93 HydrophobicContact CE1-CD1 3.89Å; Y82-Y93 HydrophobicContact CE1-CE1 4.27Å; Y82-Y93 HydrophobicContact CE1-CG 4.19Å; Y82-Y93 HydrophobicContact CG-CD1 4.33Å; Y82-Y93 HydrophobicContact CG-CD2 4.32Å; Y82-Y93 HydrophobicContact CG-CE1 4.12Å; Y82-Y93 HydrophobicContact CG-CE2 4.1Å; Y82-Y93 HydrophobicContact CG-CG 4.42Å; K83-Y93 PolarHBondContact O-OH 2.82Å; K83-Y93 VanDerWaalsContact O-OH 3.11Å; R85-Y93 HydrophobicContact CB-CE2 3.83Å; R85-Y93 HydrophobicContact CG-CE2 4.3Å; R85-Y93 PolarHBondContact N-OH 3.33Å; R85-Y93 VanDerWaalsContact N-OH 3.1Å; A90-Y93 PolarHBondContact O-N 3.38Å; F91-Y93 VanDerWaalsContact C-N 3.25Å; F91-Y93 PolarHBondContact O-N 3.49Å
94E85.3Confident84.5Confident45 Ų4574 Ų7421%0.2139%0.389CS..G310 helixtrans-93.33.4-179.1-62.4-171.3158.800113.1L73 F91 L92 N98 N100L73-E94 WeakPolarHBondContact CD2-OE1 3.38Å; F91-E94 PolarHBondContact O-N 3.06Å; L92-E94 VanDerWaalsContact C-N 3.25Å; L92-E94 PolarHBondContact O-N 3.4Å; E94-N98 HydrophobicContact CB-CB 4.39Å; E94-N98 WeakPolarHBondContact O-CB 3.01Å; E94-N100 PolarHBondContact OE1-ND2 2.67Å
95I84.2Confident84.5Confident25 Ų2572 Ų7213%0.12836%0.364CS..THydrogen-bonded Turntrans-80.1-63.7-175.2-58.8170.1000111.7Y67 L92 D104 V105Y67-I95 HydrophobicContact CD1-CD1 4.28Å; Y67-I95 HydrophobicContact CD2-CB 4.46Å; Y67-I95 HydrophobicContact CD2-CD1 4.26Å; Y67-I95 HydrophobicContact CD2-CG1 4.39Å; Y67-I95 HydrophobicContact CD2-CG2 3.37Å; Y67-I95 HydrophobicContact CE1-CD1 3.39Å; Y67-I95 HydrophobicContact CE1-CG1 4.19Å; Y67-I95 HydrophobicContact CE2-CB 3.73Å; Y67-I95 HydrophobicContact CE2-CD1 3.43Å; Y67-I95 VanDerWaalsContact CE2-CD1 3.43Å; Y67-I95 HydrophobicContact CE2-CG1 3.34Å; Y67-I95 HydrophobicContact CE2-CG2 3.06Å; Y67-I95 HydrophobicContact CG-CG2 4.42Å; Y67-I95 WeakPolarHBondContact OH-CD1 3.4Å; Y67-I95 WeakPolarHBondContact OH-CG1 3.41Å; L92-I95 HydrophobicContact CB-CD1 4.17Å; L92-I95 HydrophobicContact CD2-CD1 3.72Å; L92-I95 VanDerWaalsContact O-CD1 3.31Å; L92-I95 WeakPolarHBondContact O-CD1 3.21Å; L92-I95 WeakPolarHBondContact O-CG1 3.23Å; I95-D104 VanDerWaalsContact O-CB 3.3Å; I95-D104 WeakPolarHBondContact O-CB 3.48Å; I95-V105 HydrophobicContact CG2-CG1 4.12Å; I95-V105 HydrophobicContact CG2-CG2 4.4Å; I95-V105 WeakPolarHBondContact O-CG1 2.98Å; I95-V105 WeakPolarHBondContact O-CG2 3.11Å; I95-V105 PolarHBondContact O-N 2.95Å; I95-V105 VanDerWaalsContact O-N 3.08Å
96I85.8Confident84.6Confident123 Ų12369.1 Ų69.163%0.63136%0.36SS*.THydrogen-bonded Turntrans-81-41.1-167.5-61.3178000109.6D106I96-D106 WeakPolarHBondContact O-CB 3.48Å
97A85.6Confident84.6Confident55 Ų5572.7 Ų72.746%0.45537%0.365SS..  trans-146.793.1-177.800000109.9K99 D104A97-K99 PolarHBondContact O-N 2.88Å; A97-D104 WeakPolarHBondContact CA-OD2 3.01Å
98N87.4Confident84.9Confident13 Ų1369.2 Ų69.27%0.0735%0.35CS..  trans-86.395.7-178-169.7-25.1000110E94 N100 T101 G102 I103 D104E94-N98 HydrophobicContact CB-CB 4.39Å; E94-N98 WeakPolarHBondContact O-CB 3.01Å; N98-N100 PolarHBondContact O-N 2.82Å; N98-N100 WeakPolarHBondContact OD1-CB 3.19Å; N98-N100 PolarHBondContact OD1-N 3.21Å; N98-T101 VanDerWaalsContact CG-OG1 3.25Å; N98-T101 PolarHBondContact ND2-OG1 3.08Å; N98-T101 PolarHBondContact OD1-N 3.43Å; N98-T101 VanDerWaalsContact OD1-N 3.12Å; N98-G102 WeakPolarHBondContact O-CA 3.43Å; N98-G102 PolarHBondContact O-N 3.19Å; N98-I103 WeakPolarHBondContact CB-O 3.27Å; N98-I103 PolarHBondContact ND2-O 2.93Å; N98-D104 HydrophobicContact CB-CB 3.94Å; N98-D104 PolarHBondContact N-OD2 3.37Å
99K81.9Confident85.1Confident189 Ų18962.2 Ų62.282%0.82232%0.317SS*.THydrogen-bonded Turntrans-70.5-17.8178.4-62.4-177-179.2-178.90113.8A97A97-K99 PolarHBondContact O-N 2.88Å
100N79.5Confident85.3Confident119 Ų11961.2 Ų61.264%0.63631%0.311SS*.THydrogen-bonded Turntrans-78.5-43.4-176.8-62.1-29.5000111.4E94 N98E94-N100 PolarHBondContact OE1-ND2 2.67Å; N98-N100 PolarHBondContact O-N 2.82Å; N98-N100 WeakPolarHBondContact OD1-CB 3.19Å; N98-N100 PolarHBondContact OD1-N 3.21Å
101T82.7Confident85.6Confident85 Ų8563.1 Ų63.152%0.52132%0.318SS..THydrogen-bonded Turntrans-117.1-18.4-17667.80000113.8N98 I103N98-T101 VanDerWaalsContact CG-OG1 3.25Å; N98-T101 PolarHBondContact ND2-OG1 3.08Å; N98-T101 PolarHBondContact OD1-N 3.43Å; N98-T101 VanDerWaalsContact OD1-N 3.12Å; T101-I103 PolarHBondContact O-N 2.71Å; T101-I103 WeakPolarHBondContact OG1-CB 3.47Å; T101-I103 PolarHBondContact OG1-N 2.97Å; T101-I103 VanDerWaalsContact OG1-N 3.07Å
102G82.4Confident86Confident23 Ų2363.6 Ų63.624%0.23732%0.319CS..SBendtrans66.813.2-168.200000113.7N98 R107N98-G102 WeakPolarHBondContact O-CA 3.43Å; N98-G102 PolarHBondContact O-N 3.19Å; G102-R107 WeakPolarHBondContact O-CD 3.11Å; G102-R107 PolarHBondContact O-NH1 3.22Å
103I83.9Confident86.4Confident87 Ų8760.8 Ų60.845%0.44630%0.304SS..  trans-99.5103.6173.2-56.9177.5000107.5N98 T101 F108N98-I103 WeakPolarHBondContact CB-O 3.27Å; N98-I103 PolarHBondContact ND2-O 2.93Å; T101-I103 PolarHBondContact O-N 2.71Å; T101-I103 WeakPolarHBondContact OG1-CB 3.47Å; T101-I103 PolarHBondContact OG1-N 2.97Å; T101-I103 VanDerWaalsContact OG1-N 3.07Å; I103-F108 HydrophobicContact CG2-CE1 4.11Å; I103-F108 HydrophobicContact CG2-CE2 4.4Å; I103-F108 HydrophobicContact CG2-CZ 3.54Å
104D86.6Confident86.8Confident21 Ų2158.5 Ų58.511%0.11230%0.296CS..SBendtrans-148.3173.3-18049.647.9000110.1I95 A97 N98 D106 R107 F108I95-D104 VanDerWaalsContact O-CB 3.3Å; I95-D104 WeakPolarHBondContact O-CB 3.48Å; A97-D104 WeakPolarHBondContact CA-OD2 3.01Å; N98-D104 HydrophobicContact CB-CB 3.94Å; N98-D104 PolarHBondContact N-OD2 3.37Å; D104-D106 VanDerWaalsContact C-N 3.33Å; D104-R107 PolarHBondContact O-N 2.8Å; D104-R107 VanDerWaalsContact OD1-CB 3.28Å; D104-R107 WeakPolarHBondContact OD1-CB 3.3Å; D104-R107 PolarHBondContact OD1-N 3.45Å; D104-F108 WeakPolarHBondContact O-CD2 3.49Å; D104-F108 WeakPolarHBondContact O-CG 3.36Å; D104-F108 PolarHBondContact O-N 2.87Å
105V85.5Confident87.1Confident16 Ų1656.9 Ų56.910%0.09729%0.291CS..Hα-helixtrans-73.8-27.6-174.2-54.80000113.2Y63 I95 R107 F108 D109Y63-V105 HydrophobicContact CD1-CB 3.29Å; Y63-V105 HydrophobicContact CD1-CG1 3.74Å; Y63-V105 HydrophobicContact CD1-CG2 3.49Å; Y63-V105 VanDerWaalsContact CD1-CG2 3.49Å; Y63-V105 HydrophobicContact CD2-CB 3.77Å; Y63-V105 HydrophobicContact CE1-CB 3.2Å; Y63-V105 HydrophobicContact CE1-CG1 3.09Å; Y63-V105 HydrophobicContact CE1-CG2 3.82Å; Y63-V105 HydrophobicContact CE2-CB 3.59Å; Y63-V105 HydrophobicContact CE2-CG1 3.96Å; Y63-V105 HydrophobicContact CG-CB 3.63Å; Y63-V105 HydrophobicContact CG-CG1 4.47Å; Y63-V105 HydrophobicContact CG-CG2 3.94Å; Y63-V105 WeakPolarHBondContact OH-CG1 3.07Å; I95-V105 HydrophobicContact CG2-CG1 4.12Å; I95-V105 HydrophobicContact CG2-CG2 4.4Å; I95-V105 WeakPolarHBondContact O-CG1 2.98Å; I95-V105 WeakPolarHBondContact O-CG2 3.11Å; I95-V105 PolarHBondContact O-N 2.95Å; I95-V105 VanDerWaalsContact O-N 3.08Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-F108 PolarHBondContact O-N 2.94Å; V105-D109 PolarHBondContact O-N 2.89Å
106D89.2Confident87.6Confident78 Ų7862.1 Ų62.142%0.41731%0.31SS..Hα-helixtrans-59.8-47.6171.9-179.172.5000110.2H59 I96 D104 F108 D109 Y110H59-D106 IonicContact CD2-OD1 3.53Å; H59-D106 PolarHBondContact CE1-O 3.25Å; H59-D106 IonicContact CE1-OD1 3.49Å; H59-D106 IonicContact NE2-OD1 2.79Å; H59-D106 PolarHBondContact NE2-OD1 3.47Å; I96-D106 WeakPolarHBondContact O-CB 3.48Å; D104-D106 VanDerWaalsContact C-N 3.33Å; D106-F108 VanDerWaalsContact C-N 3.33Å; D106-F108 PolarHBondContact O-N 3.41Å; D106-D109 PolarHBondContact O-N 3.34Å; D106-Y110 WeakPolarHBondContact O-CB 3.44Å; D106-Y110 PolarHBondContact O-N 3.21Å
107R88.7Confident87.9Confident127 Ų12758.6 Ų58.648%0.47929%0.289SS..Hα-helixtrans-65.3-35.4177.7-168.4171.8-173.4173.22.6113G102 D104 V105 Y110 I111G102-R107 WeakPolarHBondContact O-CD 3.11Å; G102-R107 PolarHBondContact O-NH1 3.22Å; D104-R107 PolarHBondContact O-N 2.8Å; D104-R107 VanDerWaalsContact OD1-CB 3.28Å; D104-R107 WeakPolarHBondContact OD1-CB 3.3Å; D104-R107 PolarHBondContact OD1-N 3.45Å; V105-R107 VanDerWaalsContact C-N 3.34Å; R107-Y110 PolarHBondContact O-N 2.86Å; R107-I111 HydrophobicContact CG-CD1 3.86Å; R107-I111 HydrophobicContact CG-CG1 4.35Å; R107-I111 WeakPolarHBondContact O-CB 3.32Å; R107-I111 VanDerWaalsContact O-CG1 3.23Å; R107-I111 WeakPolarHBondContact O-CG1 3.36Å; R107-I111 PolarHBondContact O-N 3.2Å
108F88.8Confident88.3Confident17 Ų1757.6 Ų57.68%0.07528%0.276CS..Hα-helixtrans-65.7-42.4176.1-66.3-31.8000112.9I103 D104 V105 D106 R112 L124 V126 F130I103-F108 HydrophobicContact CG2-CE1 4.11Å; I103-F108 HydrophobicContact CG2-CE2 4.4Å; I103-F108 HydrophobicContact CG2-CZ 3.54Å; D104-F108 WeakPolarHBondContact O-CD2 3.49Å; D104-F108 WeakPolarHBondContact O-CG 3.36Å; D104-F108 PolarHBondContact O-N 2.87Å; V105-F108 PolarHBondContact O-N 2.94Å; D106-F108 VanDerWaalsContact C-N 3.33Å; D106-F108 PolarHBondContact O-N 3.41Å; F108-R112 WeakPolarHBondContact O-CG 3.19Å; F108-R112 PolarHBondContact O-N 3.45Å; F108-L124 HydrophobicContact CD1-CD2 3.99Å; F108-L124 HydrophobicContact CE1-CD2 4.4Å; F108-V126 HydrophobicContact CB-CG2 3.93Å; F108-V126 HydrophobicContact CD1-CG2 3.76Å; F108-V126 HydrophobicContact CD2-CB 4.46Å; F108-V126 HydrophobicContact CD2-CG1 3.47Å; F108-V126 VanDerWaalsContact CD2-CG1 3.47Å; F108-V126 HydrophobicContact CD2-CG2 4.09Å; F108-V126 HydrophobicContact CE1-CG2 4.29Å; F108-V126 HydrophobicContact CE2-CG1 3.71Å; F108-V126 HydrophobicContact CG-CB 4.48Å; F108-V126 HydrophobicContact CG-CG1 3.94Å; F108-V126 HydrophobicContact CG-CG2 3.65Å; F108-V126 HydrophobicContact CZ-CG1 4.34Å; F108-F130 AromaticContact CE2-CE2 3.57Å; F108-F130 HydrophobicContact CE2-CE2 3.57Å; F108-F130 HydrophobicContact CE2-CZ 4.21Å; F108-F130 AromaticContact CZ-CE2 3.63Å; F108-F130 HydrophobicContact CZ-CE2 3.63Å; F108-F130 HydrophobicContact CZ-CZ 4.07Å
109D90.5Very high88.5Confident1 Ų159.9 Ų59.91%0.00530%0.302CS..Hα-helixtrans-60.8-50.8173.5-17085.1000110.8Y15 H59 V105 D106 I111 R112 R113Y15-D109 WeakPolarHBondContact CE2-OD1 3.27Å; Y15-D109 VanDerWaalsContact OH-CA 3.27Å; Y15-D109 WeakPolarHBondContact OH-CA 3.28Å; Y15-D109 WeakPolarHBondContact OH-CB 3.27Å; Y15-D109 PolarHBondContact OH-OD1 3.23Å; H59-D109 WeakPolarHBondContact CA-OD2 3.49Å; H59-D109 IonicContact CE1-OD2 3.82Å; H59-D109 PolarHBondContact CE1-OD2 2.96Å; H59-D109 IonicContact CG-OD2 3.76Å; H59-D109 IonicContact ND1-OD2 2.86Å; H59-D109 PolarHBondContact ND1-OD2 3.49Å; V105-D109 PolarHBondContact O-N 2.89Å; D106-D109 PolarHBondContact O-N 3.34Å; D109-I111 PolarHBondContact O-N 3.16Å; D109-R112 PolarHBondContact O-N 3.5Å; D109-R113 WeakPolarHBondContact O-CB 3.46Å; D109-R113 PolarHBondContact O-N 2.79Å; D109-R113 IonicContact OD1-CZ 3.64Å; D109-R113 IonicContact OD1-NE 3.34Å; D109-R113 IonicContact OD1-NH2 2.67Å; D109-R113 PolarHBondContact OD1-NH2 3.3Å; D109-R113 IonicContact OD2-CZ 3.2Å; D109-R113 IonicContact OD2-NE 2.8Å; D109-R113 PolarHBondContact OD2-NE 3.17Å; D109-R113 IonicContact OD2-NH2 3.82Å; D109-R113 PolarHBondContact OD2-NH2 3.19Å
110Y89.2Confident88.8Confident83 Ų8355.3 Ų55.333%0.32529%0.286SS..Hα-helixtrans-55-52.6-178.3-175.8-107000111.5L42 D106 R107 R112 R113 D114L42-Y110 HydrophobicContact CD2-CE2 4.27Å; L42-Y110 WeakPolarHBondContact CD2-OH 3.34Å; D106-Y110 WeakPolarHBondContact O-CB 3.44Å; D106-Y110 PolarHBondContact O-N 3.21Å; R107-Y110 PolarHBondContact O-N 2.86Å; Y110-R112 PolarHBondContact O-N 3.26Å; Y110-R113 PolarHBondContact O-N 3.14Å; Y110-D114 WeakPolarHBondContact CE1-OD2 3.34Å; Y110-D114 WeakPolarHBondContact CE2-OD2 3.44Å; Y110-D114 WeakPolarHBondContact O-CB 3.29Å; Y110-D114 VanDerWaalsContact O-CG 3.24Å; Y110-D114 PolarHBondContact O-N 3.07Å; Y110-D114 PolarHBondContact OH-OD2 2.82Å
111I90.1Very high89.3Confident56 Ų5655.3 Ų55.329%0.28729%0.293SS..Hα-helixtrans-58.6-46.5-179.2-72.1169000111.3R107 D109 A115 V122 L124R107-I111 HydrophobicContact CG-CD1 3.86Å; R107-I111 HydrophobicContact CG-CG1 4.35Å; R107-I111 WeakPolarHBondContact O-CB 3.32Å; R107-I111 VanDerWaalsContact O-CG1 3.23Å; R107-I111 WeakPolarHBondContact O-CG1 3.36Å; R107-I111 PolarHBondContact O-N 3.2Å; D109-I111 PolarHBondContact O-N 3.16Å; I111-A115 WeakPolarHBondContact O-CB 3.41Å; I111-A115 PolarHBondContact O-N 2.8Å; I111-A115 VanDerWaalsContact O-N 3.1Å; I111-V122 HydrophobicContact CG2-CB 4.47Å; I111-V122 HydrophobicContact CG2-CG1 3.8Å; I111-V122 HydrophobicContact CG2-CG2 4.09Å; I111-L124 HydrophobicContact CG2-CD2 4.42Å
112R89.9Confident89.4Confident49 Ų4954.3 Ų54.319%0.18529%0.286CS..Hα-helixtrans-71.1-42.1-177-75.7175.5166.3174.3-12.5112.2I14 F108 D109 Y110 Y116 L124 V126I14-R112 HydrophobicContact CG2-CB 3.91Å; F108-R112 WeakPolarHBondContact O-CG 3.19Å; F108-R112 PolarHBondContact O-N 3.45Å; D109-R112 PolarHBondContact O-N 3.5Å; Y110-R112 PolarHBondContact O-N 3.26Å; R112-Y116 WeakPolarHBondContact O-CB 3.47Å; R112-Y116 PolarHBondContact O-N 2.84Å; R112-L124 PolarHBondContact NE-O 2.77Å; R112-L124 PolarHBondContact NH2-O 3.28Å; R112-V126 VanDerWaalsContact CZ-CG2 3.49Å
113R92.1Very high89.4Confident0 Ų063.6 Ų63.60%032%0.32CS..Hα-helixtrans-69.2-47-178.4-167.8175.1-58-81-4.9110.9D12 I14 H54 T58 D109 Y110 A115 Y116 Y117D12-R113 IonicContact OD1-NH1 3.49Å; D12-R113 IonicContact OD1-NH2 3.19Å; D12-R113 IonicContact OD2-CZ 3.75Å; D12-R113 IonicContact OD2-NH1 2.89Å; D12-R113 PolarHBondContact OD2-NH1 3.32Å; D12-R113 IonicContact OD2-NH2 3.08Å; D12-R113 PolarHBondContact OD2-NH2 2.97Å; I14-R113 HydrophobicContact CD1-CB 4.48Å; I14-R113 HydrophobicContact CD1-CG 4.47Å; I14-R113 HydrophobicContact CG1-CB 4.23Å; I14-R113 HydrophobicContact CG1-CG 4.2Å; H54-R113 VanDerWaalsContact CD2-CD 3.49Å; H54-R113 WeakPolarHBondContact CD2-CD 3.31Å; T58-R113 PolarHBondContact O-NH1 2.87Å; T58-R113 PolarHBondContact O-NH2 2.91Å; T58-R113 VanDerWaalsContact O-NH2 3.16Å; D109-R113 WeakPolarHBondContact O-CB 3.46Å; D109-R113 PolarHBondContact O-N 2.79Å; D109-R113 IonicContact OD1-CZ 3.64Å; D109-R113 IonicContact OD1-NE 3.34Å; D109-R113 IonicContact OD1-NH2 2.67Å; D109-R113 PolarHBondContact OD1-NH2 3.3Å; D109-R113 IonicContact OD2-CZ 3.2Å; D109-R113 IonicContact OD2-NE 2.8Å; D109-R113 PolarHBondContact OD2-NE 3.17Å; D109-R113 IonicContact OD2-NH2 3.82Å; D109-R113 PolarHBondContact OD2-NH2 3.19Å; Y110-R113 PolarHBondContact O-N 3.14Å; R113-A115 PolarHBondContact O-N 3.19Å; R113-Y116 WeakPolarHBondContact O-CB 3.21Å; R113-Y116 PolarHBondContact O-N 2.64Å; R113-Y117 HydrophobicContact CG-CD2 3.82Å; R113-Y117 HydrophobicContact CG-CE2 3.82Å; R113-Y117 VanDerWaalsContact O-CD2 3.27Å; R113-Y117 WeakPolarHBondContact O-CD2 3.46Å; R113-Y117 PolarHBondContact O-N 2.74Å
114D93.3Very high89.2Confident16 Ų1662 Ų629%0.08631%0.312CS..Hα-helixtrans-58.6-48.8174.9-77.55.9000111.6L42 H54 Y110 Y116 Y117 I118L42-D114 VanDerWaalsContact CD2-OD2 3.3Å; L42-D114 WeakPolarHBondContact CD2-OD2 3.23Å; H54-D114 IonicContact CE1-OD1 3.73Å; H54-D114 PolarHBondContact CE1-OD1 2.85Å; H54-D114 IonicContact NE2-OD1 3.47Å; H54-D114 PolarHBondContact NE2-OD1 2.8Å; Y110-D114 WeakPolarHBondContact CE1-OD2 3.34Å; Y110-D114 WeakPolarHBondContact CE2-OD2 3.44Å; Y110-D114 WeakPolarHBondContact O-CB 3.29Å; Y110-D114 VanDerWaalsContact O-CG 3.24Å; Y110-D114 PolarHBondContact O-N 3.07Å; Y110-D114 PolarHBondContact OH-OD2 2.82Å; D114-Y116 VanDerWaalsContact C-N 3.3Å; D114-Y116 PolarHBondContact O-N 3.02Å; D114-Y117 PolarHBondContact O-N 3.24Å; D114-I118 HydrophobicContact CB-CD1 4.39Å; D114-I118 VanDerWaalsContact O-CB 3.28Å; D114-I118 WeakPolarHBondContact O-CB 2.91Å; D114-I118 VanDerWaalsContact O-CG1 3.26Å; D114-I118 WeakPolarHBondContact O-CG1 3.23Å; D114-I118 PolarHBondContact O-N 3.4Å
115A92.8Very high88.9Confident11 Ų1165 Ų659%0.09133%0.328CS..Hα-helixtrans-54.7-46.7176.400000112.3I111 R113 G119 I120 V122I111-A115 WeakPolarHBondContact O-CB 3.41Å; I111-A115 PolarHBondContact O-N 2.8Å; I111-A115 VanDerWaalsContact O-N 3.1Å; R113-A115 PolarHBondContact O-N 3.19Å; A115-G119 WeakPolarHBondContact O-CA 3.26Å; A115-G119 PolarHBondContact O-N 3.45Å; A115-I120 CarbonylContact C-O 3.56Å; A115-I120 WeakPolarHBondContact CA-O 3.1Å; A115-I120 WeakPolarHBondContact CB-O 3.4Å; A115-I120 PolarHBondContact O-N 3.38Å; A115-V122 HydrophobicContact CB-CB 3.92Å; A115-V122 HydrophobicContact CB-CG2 3.33Å
116Y92.8Very high88.6Confident135 Ų13564.5 Ų64.553%0.52933%0.325SS..Hα-helixtrans-60.1-49.6176.4177.7-91.6000111.9P13 I14 R112 R113 D114 G119P13-Y116 HydrophobicContact CB-CE1 4.04Å; P13-Y116 HydrophobicContact CG-CE1 4.44Å; I14-Y116 VanDerWaalsContact CD1-CB 3.42Å; I14-Y116 HydrophobicContact CD1-CD1 3.76Å; I14-Y116 HydrophobicContact CD1-CD2 4Å; I14-Y116 HydrophobicContact CD1-CG 3.44Å; I14-Y116 VanDerWaalsContact CD1-CG 3.44Å; R112-Y116 WeakPolarHBondContact O-CB 3.47Å; R112-Y116 PolarHBondContact O-N 2.84Å; R113-Y116 WeakPolarHBondContact O-CB 3.21Å; R113-Y116 PolarHBondContact O-N 2.64Å; D114-Y116 VanDerWaalsContact C-N 3.3Å; D114-Y116 PolarHBondContact O-N 3.02Å; Y116-G119 PolarHBondContact O-N 3.39Å
117Y93.5Very high88Confident50 Ų5067.5 Ų67.520%0.19634%0.336CS..Hα-helixtrans-75.6-25.6-177-81-77.6000113.7S51 H54 R113 D114S51-Y117 CarbonylContact C-O 3.51Å; S51-Y117 VanDerWaalsContact C-O 3.25Å; S51-Y117 WeakPolarHBondContact CB-O 3.1Å; S51-Y117 WeakPolarHBondContact O-CD1 3.4Å; S51-Y117 PolarHBondContact OG-O 3.16Å; H54-Y117 HydrophobicContact CB-CD1 4.18Å; H54-Y117 HydrophobicContact CB-CD2 3.52Å; H54-Y117 HydrophobicContact CB-CE1 3.95Å; H54-Y117 HydrophobicContact CB-CE2 3.32Å; H54-Y117 HydrophobicContact CB-CG 3.97Å; H54-Y117 AromaticContact CG-CD2 3.5Å; H54-Y117 VanDerWaalsContact CG-CD2 3.5Å; H54-Y117 AromaticContact CG-CE2 3.76Å; H54-Y117 AromaticContact ND1-CD2 3.31Å; H54-Y117 VanDerWaalsContact ND1-CD2 3.31Å; H54-Y117 WeakPolarHBondContact ND1-CD2 2.95Å; H54-Y117 AromaticContact ND1-CG 3.5Å; R113-Y117 HydrophobicContact CG-CD2 3.82Å; R113-Y117 HydrophobicContact CG-CE2 3.82Å; R113-Y117 VanDerWaalsContact O-CD2 3.27Å; R113-Y117 WeakPolarHBondContact O-CD2 3.46Å; R113-Y117 PolarHBondContact O-N 2.74Å; D114-Y117 PolarHBondContact O-N 3.24Å
118I92.8Very high87.5Confident34 Ų3462.1 Ų62.117%0.17432%0.32CS..Hα-helixtrans-88.9-14.9176.9-62.8171.9000111L42 Y49 D114 I120L42-I118 HydrophobicContact CD1-CD1 3.86Å; L42-I118 HydrophobicContact CD1-CG1 4.08Å; Y49-I118 HydrophobicContact CD1-CG2 3.55Å; Y49-I118 HydrophobicContact CD2-CG2 4.31Å; Y49-I118 HydrophobicContact CE1-CG2 3.65Å; Y49-I118 HydrophobicContact CE2-CG2 4.4Å; Y49-I118 HydrophobicContact CG-CG2 3.88Å; D114-I118 HydrophobicContact CB-CD1 4.39Å; D114-I118 VanDerWaalsContact O-CB 3.28Å; D114-I118 WeakPolarHBondContact O-CB 2.91Å; D114-I118 VanDerWaalsContact O-CG1 3.26Å; D114-I118 WeakPolarHBondContact O-CG1 3.23Å; D114-I118 PolarHBondContact O-N 3.4Å; I118-I120 HydrophobicContact CG2-CD1 3.63Å; I118-I120 HydrophobicContact CG2-CG1 3.9Å
119G91.5Very high86.9Confident61 Ų6162.7 Ų62.763%0.62932%0.323SS*.THydrogen-bonded Turntrans78.622.3-178.300000113.6A115 Y116A115-G119 WeakPolarHBondContact O-CA 3.26Å; A115-G119 PolarHBondContact O-N 3.45Å; Y116-G119 PolarHBondContact O-N 3.39Å
120I89.9Confident86.4Confident92 Ų9265.5 Ų65.547%0.47234%0.335SS..PPolyproline II helixtrans-96.8118.6176.2-66171.4000108.1A115 I118 V122A115-I120 CarbonylContact C-O 3.56Å; A115-I120 WeakPolarHBondContact CA-O 3.1Å; A115-I120 WeakPolarHBondContact CB-O 3.4Å; A115-I120 PolarHBondContact O-N 3.38Å; I118-I120 HydrophobicContact CG2-CD1 3.63Å; I118-I120 HydrophobicContact CG2-CG1 3.9Å; I120-V122 PolarHBondContact O-N 2.97Å
121P88.3Confident85.9Confident120 Ų12069.8 Ų69.878%0.77935%0.352SS*.PPolyproline II helixtrans-68.9123179.227.4-33.3000110.7
122V85.8Confident85.5Confident64 Ų6469.8 Ų69.839%0.38836%0.355SS..PPolyproline II helixtrans-102.9119171.1168.40000110I111 A115 I120 L124I111-V122 HydrophobicContact CG2-CB 4.47Å; I111-V122 HydrophobicContact CG2-CG1 3.8Å; I111-V122 HydrophobicContact CG2-CG2 4.09Å; A115-V122 HydrophobicContact CB-CB 3.92Å; A115-V122 HydrophobicContact CB-CG2 3.33Å; I120-V122 PolarHBondContact O-N 2.97Å; V122-L124 HydrophobicContact CG1-CB 3.45Å; V122-L124 VanDerWaalsContact CG1-CB 3.45Å; V122-L124 PolarHBondContact O-N 2.57Å; V122-L124 VanDerWaalsContact O-N 3.1Å
123K83Confident85Confident217 Ų21777.2 Ų77.294%0.94338%0.383SS*.  trans-84.957.6172.3-64.9-176.7178.8179.90110.9
124L77.9Confident84.6Confident54 Ų5485.7 Ų85.728%0.28342%0.42SS..  trans-117103.2175.8-175.565.9000110.4F108 I111 R112 V122 V126F108-L124 HydrophobicContact CD1-CD2 3.99Å; F108-L124 HydrophobicContact CE1-CD2 4.4Å; I111-L124 HydrophobicContact CG2-CD2 4.42Å; R112-L124 PolarHBondContact NE-O 2.77Å; R112-L124 PolarHBondContact NH2-O 3.28Å; V122-L124 HydrophobicContact CG1-CB 3.45Å; V122-L124 VanDerWaalsContact CG1-CB 3.45Å; V122-L124 PolarHBondContact O-N 2.57Å; V122-L124 VanDerWaalsContact O-N 3.1Å; L124-V126 HydrophobicContact CD2-CG2 3.82Å; L124-V126 HydrophobicContact CG-CG2 3.82Å; L124-V126 PolarHBondContact O-N 3.41Å
125D81Confident84.1Confident85 Ų8587.3 Ų87.346%0.45543%0.427SS..  trans-95.687.3169.5-169.7-11.6000110Q127 A128 L129D125-Q127 VanDerWaalsContact C-N 3.26Å; D125-Q127 PolarHBondContact O-N 3Å; D125-Q127 PolarHBondContact OD1-N 3.17Å; D125-Q127 VanDerWaalsContact OD1-N 3.11Å; D125-A128 HydrophobicContact CB-CB 3.98Å; D125-A128 PolarHBondContact O-N 3.09Å; D125-A128 PolarHBondContact OD1-N 2.68Å; D125-A128 WeakPolarHBondContact OD2-CB 3.04Å; D125-L129 WeakPolarHBondContact O-CB 3.31Å; D125-L129 PolarHBondContact O-N 2.87Å
126V79.3Confident83.6Confident5 Ų587.7 Ų87.73%0.0343%0.427CS..Hα-helixtrans-59.8-36.9175.6-179.80000111.2F108 R112 L124 L129 F130F108-V126 HydrophobicContact CB-CG2 3.93Å; F108-V126 HydrophobicContact CD1-CG2 3.76Å; F108-V126 HydrophobicContact CD2-CB 4.46Å; F108-V126 HydrophobicContact CD2-CG1 3.47Å; F108-V126 VanDerWaalsContact CD2-CG1 3.47Å; F108-V126 HydrophobicContact CD2-CG2 4.09Å; F108-V126 HydrophobicContact CE1-CG2 4.29Å; F108-V126 HydrophobicContact CE2-CG1 3.71Å; F108-V126 HydrophobicContact CG-CB 4.48Å; F108-V126 HydrophobicContact CG-CG1 3.94Å; F108-V126 HydrophobicContact CG-CG2 3.65Å; F108-V126 HydrophobicContact CZ-CG1 4.34Å; R112-V126 VanDerWaalsContact CZ-CG2 3.49Å; L124-V126 HydrophobicContact CD2-CG2 3.82Å; L124-V126 HydrophobicContact CG-CG2 3.82Å; L124-V126 PolarHBondContact O-N 3.41Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 PolarHBondContact O-N 3.22Å; V126-F130 HydrophobicContact CG1-CD2 3.95Å; V126-F130 HydrophobicContact CG1-CE2 4.12Å; V126-F130 WeakPolarHBondContact O-CD2 3.34Å; V126-F130 PolarHBondContact O-N 3.37Å
127Q76Confident83.1Confident140 Ų14085.5 Ų85.565%0.65442%0.422SS*.Hα-helixtrans-65.3-49.2179.3-73.5-177.9-16.100109.5D125 L129 F130 Y131D125-Q127 VanDerWaalsContact C-N 3.26Å; D125-Q127 PolarHBondContact O-N 3Å; D125-Q127 PolarHBondContact OD1-N 3.17Å; D125-Q127 VanDerWaalsContact OD1-N 3.11Å; Q127-L129 PolarHBondContact O-N 3.2Å; Q127-F130 CarbonylContact O-C 3.25Å; Q127-F130 PolarHBondContact O-N 3.47Å; Q127-Y131 WeakPolarHBondContact O-CA 3.24Å; Q127-Y131 VanDerWaalsContact O-CB 3.31Å; Q127-Y131 WeakPolarHBondContact O-CB 3.11Å; Q127-Y131 PolarHBondContact O-N 3.4Å
128A78Confident82.7Confident15 Ų1587.1 Ų87.112%0.12444%0.44CS..Hα-helixtrans-68.8-18.5176.800000113.9D125D125-A128 HydrophobicContact CB-CB 3.98Å; D125-A128 PolarHBondContact O-N 3.09Å; D125-A128 PolarHBondContact OD1-N 2.68Å; D125-A128 WeakPolarHBondContact OD2-CB 3.04Å
129L78.1Confident82.2Confident28 Ų2891.6 Ų91.615%0.14746%0.455CS..Hα-helixtrans-68.9-38.1172.9-165.963.3000111.5D125 V126 Q127 L136 R139 V140D125-L129 WeakPolarHBondContact O-CB 3.31Å; D125-L129 PolarHBondContact O-N 2.87Å; V126-L129 WeakPolarHBondContact O-CB 3.22Å; V126-L129 PolarHBondContact O-N 3.22Å; Q127-L129 PolarHBondContact O-N 3.2Å; L129-L136 HydrophobicContact CD1-CD1 4.28Å; L129-L136 HydrophobicContact CG-CD1 3.94Å; L129-L136 VanDerWaalsContact O-CA 3.29Å; L129-L136 WeakPolarHBondContact O-CA 3.2Å; L129-L136 WeakPolarHBondContact O-CB 3.42Å; L129-L136 WeakPolarHBondContact O-CD1 3.5Å; L129-L136 PolarHBondContact O-N 3.46Å; L129-R139 HydrophobicContact CD1-CB 4.29Å; L129-V140 HydrophobicContact CD1-CG2 3.35Å; L129-V140 HydrophobicContact CD2-CG2 4.48Å; L129-V140 HydrophobicContact CG-CG2 4.18Å
130F79.4Confident81.8Confident60 Ų6090.7 Ų90.726%0.26344%0.437SS..Hα-helixtrans-113.34.1-173.6-63.9-72.1000114.4L70 F108 V126 Q127 T132 L136L70-F130 HydrophobicContact CD1-CD1 3.81Å; L70-F130 HydrophobicContact CD1-CE1 3.91Å; F108-F130 AromaticContact CE2-CE2 3.57Å; F108-F130 HydrophobicContact CE2-CE2 3.57Å; F108-F130 HydrophobicContact CE2-CZ 4.21Å; F108-F130 AromaticContact CZ-CE2 3.63Å; F108-F130 HydrophobicContact CZ-CE2 3.63Å; F108-F130 HydrophobicContact CZ-CZ 4.07Å; V126-F130 HydrophobicContact CG1-CD2 3.95Å; V126-F130 HydrophobicContact CG1-CE2 4.12Å; V126-F130 WeakPolarHBondContact O-CD2 3.34Å; V126-F130 PolarHBondContact O-N 3.37Å; Q127-F130 CarbonylContact O-C 3.25Å; Q127-F130 PolarHBondContact O-N 3.47Å; F130-T132 VanDerWaalsContact C-N 3.31Å; F130-T132 PolarHBondContact O-N 2.77Å; F130-L136 HydrophobicContact CD1-CD1 3.94Å; F130-L136 HydrophobicContact CD1-CD2 4.15Å; F130-L136 HydrophobicContact CE1-CD1 3.66Å; F130-L136 HydrophobicContact CE1-CD2 4.08Å; F130-L136 HydrophobicContact CZ-CD1 4.34Å
131Y78Confident81.5Confident173 Ų17391.7 Ų91.768%0.67844%0.436SS*.SBendtrans-58.5-42.7-176.9-175.5-103.8000111.9Q127 E135Q127-Y131 WeakPolarHBondContact O-CA 3.24Å; Q127-Y131 VanDerWaalsContact O-CB 3.31Å; Q127-Y131 WeakPolarHBondContact O-CB 3.11Å; Q127-Y131 PolarHBondContact O-N 3.4Å; Y131-E135 VanDerWaalsContact CB-OE2 3.27Å; Y131-E135 WeakPolarHBondContact CB-OE2 3.41Å; Y131-E135 VanDerWaalsContact CD1-OE2 3.29Å; Y131-E135 WeakPolarHBondContact CD1-OE2 3.26Å
132T81.1Confident81.3Confident56 Ų5690 Ų9034%0.34442%0.417SS..  trans-135.3152.1167.864.60000111.8F130 K134 E135 L136F130-T132 VanDerWaalsContact C-N 3.31Å; F130-T132 PolarHBondContact O-N 2.77Å; T132-K134 PolarHBondContact O-N 2.64Å; T132-E135 WeakPolarHBondContact CB-OE2 3.15Å; T132-E135 PolarHBondContact N-OE2 3Å; T132-E135 PolarHBondContact O-N 3.36Å; T132-E135 WeakPolarHBondContact OG1-CB 3.34Å; T132-E135 VanDerWaalsContact OG1-CG 3.28Å; T132-E135 WeakPolarHBondContact OG1-CG 3.46Å; T132-E135 PolarHBondContact OG1-N 2.88Å; T132-E135 PolarHBondContact OG1-OE2 3.02Å; T132-L136 PolarHBondContact O-N 2.95Å
133R81.2Confident81.3Confident206 Ų20691.3 Ų91.378%0.77742%0.419SS*.Hα-helixtrans-53.7-35.3169-175178.3-176-113.73.3111.8H137R133-H137 VanDerWaalsContact O-CB 3.31Å; R133-H137 WeakPolarHBondContact O-CB 3.26Å; R133-H137 PolarHBondContact O-N 3.1Å
134K83.6Confident81.6Confident177 Ų17788.3 Ų88.377%0.7741%0.406SS*.Hα-helixtrans-63.6-43.1177.1-177.8-179.7176.4-177.90111.6T132 H137 S138T132-K134 PolarHBondContact O-N 2.64Å; K134-H137 PolarHBondContact O-N 2.94Å; K134-S138 VanDerWaalsContact O-CB 3.26Å; K134-S138 WeakPolarHBondContact O-CB 3.29Å; K134-S138 PolarHBondContact O-N 2.91Å
135E82.8Confident82.1Confident51 Ų5189 Ų8924%0.23841%0.413CS..Hα-helixtrans-69-44.1177.3-75.6160.313400112.1Y131 T132 H137 S138 R139Y131-E135 VanDerWaalsContact CB-OE2 3.27Å; Y131-E135 WeakPolarHBondContact CB-OE2 3.41Å; Y131-E135 VanDerWaalsContact CD1-OE2 3.29Å; Y131-E135 WeakPolarHBondContact CD1-OE2 3.26Å; T132-E135 WeakPolarHBondContact CB-OE2 3.15Å; T132-E135 PolarHBondContact N-OE2 3Å; T132-E135 PolarHBondContact O-N 3.36Å; T132-E135 WeakPolarHBondContact OG1-CB 3.34Å; T132-E135 VanDerWaalsContact OG1-CG 3.28Å; T132-E135 WeakPolarHBondContact OG1-CG 3.46Å; T132-E135 PolarHBondContact OG1-N 2.88Å; T132-E135 PolarHBondContact OG1-OE2 3.02Å; E135-H137 PolarHBondContact O-N 2.85Å; E135-S138 PolarHBondContact O-N 2.81Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.36Å; E135-R139 VanDerWaalsContact O-CG 3.3Å; E135-R139 WeakPolarHBondContact O-CG 3.45Å; E135-R139 PolarHBondContact O-N 2.85Å
136L82.5Confident82.3Confident18 Ų1886.5 Ų86.59%0.09440%0.4CS..Hα-helixtrans-55.1-46.6173.8-176.465.9000110.3L129 F130 T132 R139 V140 Y141L129-L136 HydrophobicContact CD1-CD1 4.28Å; L129-L136 HydrophobicContact CG-CD1 3.94Å; L129-L136 VanDerWaalsContact O-CA 3.29Å; L129-L136 WeakPolarHBondContact O-CA 3.2Å; L129-L136 WeakPolarHBondContact O-CB 3.42Å; L129-L136 WeakPolarHBondContact O-CD1 3.5Å; L129-L136 PolarHBondContact O-N 3.46Å; F130-L136 HydrophobicContact CD1-CD1 3.94Å; F130-L136 HydrophobicContact CD1-CD2 4.15Å; F130-L136 HydrophobicContact CE1-CD1 3.66Å; F130-L136 HydrophobicContact CE1-CD2 4.08Å; F130-L136 HydrophobicContact CZ-CD1 4.34Å; T132-L136 PolarHBondContact O-N 2.95Å; L136-R139 PolarHBondContact O-N 3.05Å; L136-V140 HydrophobicContact CD1-CB 4.27Å; L136-V140 HydrophobicContact CD1-CG2 3.75Å; L136-V140 VanDerWaalsContact O-CB 3.32Å; L136-V140 WeakPolarHBondContact O-CB 3.32Å; L136-V140 PolarHBondContact O-N 3.17Å; L136-Y141 HydrophobicContact CD2-CE2 3.98Å; L136-Y141 HydrophobicContact CG-CD2 4.41Å; L136-Y141 HydrophobicContact CG-CE2 4.05Å
137H81.7Confident82.7Confident90 Ų9090.4 Ų90.442%0.41742%0.417SS..Iπ-helixtrans-63.5-48.1178.1-166.681.7000113.2R133 K134 E135 R139 Y141 Q142R133-H137 VanDerWaalsContact O-CB 3.31Å; R133-H137 WeakPolarHBondContact O-CB 3.26Å; R133-H137 PolarHBondContact O-N 3.1Å; K134-H137 PolarHBondContact O-N 2.94Å; E135-H137 PolarHBondContact O-N 2.85Å; H137-R139 VanDerWaalsContact C-N 3.34Å; H137-R139 PolarHBondContact O-N 2.78Å; H137-Y141 HydrophobicContact CB-CD2 4.28Å; H137-Y141 WeakPolarHBondContact ND1-CB 3.45Å; H137-Y141 AromaticContact ND1-CD2 3.79Å; H137-Y141 AromaticContact ND1-CG 3.93Å; H137-Y141 PolarHBondContact O-N 2.83Å; H137-Q142 PolarHBondContact NE2-NE2 3.09Å; H137-Q142 WeakPolarHBondContact O-CG 3.33Å; H137-Q142 PolarHBondContact O-N 3.32Å
138S84.9Confident83.2Confident83 Ų8388.7 Ų88.758%0.5841%0.412SS*.Iπ-helixtrans-62.9-37.1179.1-174.30000113.1K134 E135K134-S138 VanDerWaalsContact O-CB 3.26Å; K134-S138 WeakPolarHBondContact O-CB 3.29Å; K134-S138 PolarHBondContact O-N 2.91Å; E135-S138 PolarHBondContact O-N 2.81Å
139R82.3Confident83.4Confident128 Ų12893 Ų9348%0.48343%0.432SS..Iπ-helixtrans-91.3-37.2-174-64179.8-174.2-156.26.9113.8L129 E135 L136 H137L129-R139 HydrophobicContact CD1-CB 4.29Å; E135-R139 VanDerWaalsContact O-CB 3.31Å; E135-R139 WeakPolarHBondContact O-CB 3.36Å; E135-R139 VanDerWaalsContact O-CG 3.3Å; E135-R139 WeakPolarHBondContact O-CG 3.45Å; E135-R139 PolarHBondContact O-N 2.85Å; L136-R139 PolarHBondContact O-N 3.05Å; H137-R139 VanDerWaalsContact C-N 3.34Å; H137-R139 PolarHBondContact O-N 2.78Å
140V83.7Confident83.4Confident43 Ų4398.1 Ų98.126%0.26145%0.454SS..Iπ-helixtrans-104.1-61.4-174.9-176.30000110.9L129 L136 Q142 H143 V146L129-V140 HydrophobicContact CD1-CG2 3.35Å; L129-V140 HydrophobicContact CD2-CG2 4.48Å; L129-V140 HydrophobicContact CG-CG2 4.18Å; L136-V140 HydrophobicContact CD1-CB 4.27Å; L136-V140 HydrophobicContact CD1-CG2 3.75Å; L136-V140 VanDerWaalsContact O-CB 3.32Å; L136-V140 WeakPolarHBondContact O-CB 3.32Å; L136-V140 PolarHBondContact O-N 3.17Å; V140-Q142 PolarHBondContact O-N 3.09Å; V140-H143 WeakPolarHBondContact O-CB 3.36Å; V140-H143 PolarHBondContact O-N 3.45Å; V140-V146 HydrophobicContact CG1-CG2 4.45Å; V140-V146 WeakPolarHBondContact O-CG2 3.25Å
141Y82.6Confident83.7Confident113 Ų113102.3 Ų102.344%0.44348%0.475SS..Iπ-helixtrans-67.8-23.1-171.2-68.7-63000113.2L136 H137 V146L136-Y141 HydrophobicContact CD2-CE2 3.98Å; L136-Y141 HydrophobicContact CG-CD2 4.41Å; L136-Y141 HydrophobicContact CG-CE2 4.05Å; H137-Y141 HydrophobicContact CB-CD2 4.28Å; H137-Y141 WeakPolarHBondContact ND1-CB 3.45Å; H137-Y141 AromaticContact ND1-CD2 3.79Å; H137-Y141 AromaticContact ND1-CG 3.93Å; H137-Y141 PolarHBondContact O-N 2.83Å; Y141-V146 HydrophobicContact CD1-CG1 4.15Å
142Q84.1Confident83.6Confident84 Ų84104.4 Ų104.439%0.39349%0.493SS..THydrogen-bonded Turntrans-84.1-6.6173.8-65.7-62.6-38.900114.1H137 V140 K144 K147H137-Q142 PolarHBondContact NE2-NE2 3.09Å; H137-Q142 WeakPolarHBondContact O-CG 3.33Å; H137-Q142 PolarHBondContact O-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.09Å; Q142-K144 PolarHBondContact O-N 3.05Å; Q142-K147 WeakPolarHBondContact O-CE 3.44Å
143H86.3Confident83.7Confident91 Ų91106.8 Ų106.842%0.42150%0.501SS..SBendtrans-65.6135.2-179.5-171.8-92.9000110.9V140 T145 V146 K147V140-H143 WeakPolarHBondContact O-CB 3.36Å; V140-H143 PolarHBondContact O-N 3.45Å; H143-T145 PolarHBondContact CE1-OG1 3.28Å; H143-T145 VanDerWaalsContact CE1-OG1 3.26Å; H143-T145 PolarHBondContact ND1-N 3.02Å; H143-T145 PolarHBondContact ND1-OG1 2.91Å; H143-T145 PolarHBondContact O-N 3.21Å; H143-T145 VanDerWaalsContact O-N 3.1Å; H143-V146 HydrophobicContact CB-CG2 4.2Å; H143-V146 WeakPolarHBondContact O-CA 3.36Å; H143-V146 WeakPolarHBondContact O-CB 3.24Å; H143-V146 PolarHBondContact O-N 2.83Å; H143-K147 PolarHBondContact O-N 3.3Å
144K89.6Confident83.8Confident154 Ų154101.6 Ų101.667%0.6749%0.486SS*.Hα-helixtrans-48.5-43.5-175.962.1-177-179.8178.50113.6Q142 V146 K147 L148Q142-K144 PolarHBondContact O-N 3.05Å; K144-V146 PolarHBondContact O-N 3.1Å; K144-K147 PolarHBondContact O-N 2.99Å; K144-L148 WeakPolarHBondContact O-CG 3.41Å; K144-L148 PolarHBondContact O-N 2.73Å
145T88.1Confident83.9Confident69 Ų6997.4 Ų97.442%0.42347%0.471SS..Hα-helixtrans-66.7-37.7179.6-49.80000112H143 L148 I149H143-T145 PolarHBondContact CE1-OG1 3.28Å; H143-T145 VanDerWaalsContact CE1-OG1 3.26Å; H143-T145 PolarHBondContact ND1-N 3.02Å; H143-T145 PolarHBondContact ND1-OG1 2.91Å; H143-T145 PolarHBondContact O-N 3.21Å; H143-T145 VanDerWaalsContact O-N 3.1Å; T145-L148 PolarHBondContact O-N 2.76Å; T145-I149 HydrophobicContact CG2-CD1 4.2Å; T145-I149 WeakPolarHBondContact O-CD1 3.47Å; T145-I149 VanDerWaalsContact O-CG1 3.27Å; T145-I149 WeakPolarHBondContact O-CG1 3.43Å; T145-I149 PolarHBondContact O-N 3.34Å; T145-I149 VanDerWaalsContact O-N 3.09Å
146V85.1Confident83.9Confident33 Ų33100.1 Ų100.120%0.248%0.484CS..Hα-helixtrans-70.2-39.5179178.30000110.3V140 Y141 H143 K144 I149 H150V140-V146 HydrophobicContact CG1-CG2 4.45Å; V140-V146 WeakPolarHBondContact O-CG2 3.25Å; Y141-V146 HydrophobicContact CD1-CG1 4.15Å; H143-V146 HydrophobicContact CB-CG2 4.2Å; H143-V146 WeakPolarHBondContact O-CA 3.36Å; H143-V146 WeakPolarHBondContact O-CB 3.24Å; H143-V146 PolarHBondContact O-N 2.83Å; K144-V146 PolarHBondContact O-N 3.1Å; V146-I149 PolarHBondContact O-N 2.91Å; V146-H150 PolarHBondContact O-N 2.71Å; V146-H150 VanDerWaalsContact O-N 3.09Å; V146-H150 PolarHBondContact O-ND1 3.14Å
147K86.9Confident84Confident87 Ų87105.3 Ų105.338%0.37851%0.509SS..Hα-helixtrans-61.5-47.3173.4-67.4-172.1179.2-1770112Q142 H143 K144 I149 H150 E151Q142-K147 WeakPolarHBondContact O-CE 3.44Å; H143-K147 PolarHBondContact O-N 3.3Å; K144-K147 PolarHBondContact O-N 2.99Å; K147-I149 VanDerWaalsContact C-N 3.27Å; K147-I149 PolarHBondContact O-N 3.11Å; K147-H150 PolarHBondContact O-N 3.14Å; K147-E151 WeakPolarHBondContact O-CG 3.5Å; K147-E151 PolarHBondContact O-N 2.86Å
148L87.5Confident84.2Confident103 Ų103106.3 Ų106.354%0.53952%0.515SS..Hα-helixtrans-56.8-40.6176-72.9170.2000112K144 T145 E151 M152K144-L148 WeakPolarHBondContact O-CG 3.41Å; K144-L148 PolarHBondContact O-N 2.73Å; T145-L148 PolarHBondContact O-N 2.76Å; L148-E151 PolarHBondContact O-N 3.14Å; L148-M152 WeakPolarHBondContact O-CG 3.46Å; L148-M152 PolarHBondContact O-N 2.62Å
149I82.7Confident84.1Confident106 Ų106107.9 Ų107.954%0.54451%0.51SS..Hα-helixtrans-67-34.8176.9-67.8163.6000112T145 V146 K147 E151T145-I149 HydrophobicContact CG2-CD1 4.2Å; T145-I149 WeakPolarHBondContact O-CD1 3.47Å; T145-I149 VanDerWaalsContact O-CG1 3.27Å; T145-I149 WeakPolarHBondContact O-CG1 3.43Å; T145-I149 PolarHBondContact O-N 3.34Å; T145-I149 VanDerWaalsContact O-N 3.09Å; V146-I149 PolarHBondContact O-N 2.91Å; K147-I149 VanDerWaalsContact C-N 3.27Å; K147-I149 PolarHBondContact O-N 3.11Å; I149-E151 VanDerWaalsContact C-N 3.29Å
150H77.9Confident84.3Confident135 Ų135106.4 Ų106.463%0.62551%0.512SS*.Hα-helixtrans-75.3-19.4176.6-76.975000113.1V146 K147V146-H150 PolarHBondContact O-N 2.71Å; V146-H150 VanDerWaalsContact O-N 3.09Å; V146-H150 PolarHBondContact O-ND1 3.14Å; K147-H150 PolarHBondContact O-N 3.14Å
151E84.3Confident84.3Confident149 Ų149111.7 Ų111.770%0.69653%0.533SS*.Hα-helixtrans-88.9-13.5177.7-71.1168.7-173.100113.1K147 L148 I149K147-E151 WeakPolarHBondContact O-CG 3.5Å; K147-E151 PolarHBondContact O-N 2.86Å; L148-E151 PolarHBondContact O-N 3.14Å; I149-E151 VanDerWaalsContact C-N 3.29Å
152M76.4Confident84.5Confident216 Ų216111.5 Ų111.5100%1.06454%0.541SS*.  trans-82.70174.4-71.6174.669.700112L148L148-M152 WeakPolarHBondContact O-CG 3.46Å; L148-M152 PolarHBondContact O-N 2.62Å

Retrieved 152 of 152 residues in 41.4 ms (Link to these results)

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