G4VBX1_SCHMA Loading...

PRA1 family protein

AlphaFold DB , UniProt , Accession G4VBX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M66.5Low84.5Confident173 Ų17384.2 Ų84.285%0.85245%0.45SS*.  0137.90-76.5178.7177.400108.7L154M1-L154 HydrophobicContact CE-CD1 4.23Å; M1-L154 HydrophobicContact SD-CD1 3.99Å
2R71.2Confident85.2Confident70 Ų7077.8 Ų77.826%0.26442%0.415SS..BIsolated β-bridgetrans-83.5129.2177.1-174.8175.2179.7-172.30.7111.1E144 Q151 R152 T153R2-E144 IonicContact CZ-OE1 3.08Å; R2-E144 IonicContact CZ-OE2 3.98Å; R2-E144 IonicContact NH1-OE1 2.64Å; R2-E144 PolarHBondContact NH1-OE1 3.27Å; R2-E144 IonicContact NH1-OE2 3.94Å; R2-E144 VanDerWaalsContact NH2-CD 3.25Å; R2-E144 IonicContact NH2-OE1 2.67Å; R2-E144 PolarHBondContact NH2-OE1 2.88Å; R2-E144 IonicContact NH2-OE2 3.37Å; R2-E144 PolarHBondContact NH2-OE2 3.43Å; R2-Q151 HydrophobicContact CB-CB 4.4Å; R2-R152 PolarHBondContact N-O 3.49Å; R2-T153 HydrophobicContact CB-CG2 4.41Å
3S74.6Confident85.7Confident105 Ų10577.4 Ų77.473%0.73441%0.412SS*.PPolyproline II helixtrans-83.3130.9167.554.80000109.6
4V83.1Confident86Confident18 Ų1872.9 Ų72.911%0.10939%0.394CS..PPolyproline II helixtrans-86.5136.3173.3-179.90000107.3S40 T153V4-S40 PolarHBondContact O-OG 2.88Å; V4-T153 HydrophobicContact CG2-CG2 3.65Å
5P87.5Confident86Confident78 Ų7881.9 Ų81.951%0.50643%0.428SS..PPolyproline II helixtrans-65.5146.9177.127.3-35.2000111.1R7P5-R7 PolarHBondContact O-N 2.93Å
6L90.4Very high85.8Confident102 Ų10279.2 Ų79.253%0.53443%0.426SS..PPolyproline II helixtrans-61.6131.3173.1-16675.1000109.6N41 L44L6-N41 HydrophobicContact CD1-CB 4.41Å; L6-L44 HydrophobicContact CD1-CB 4.43Å; L6-L44 HydrophobicContact CD1-CD2 3.95Å; L6-L44 HydrophobicContact CD2-CD2 4.08Å
7R90.2Very high86Confident50 Ų5075.5 Ų75.519%0.18941%0.41CS..PPolyproline II helixtrans-84.9150.2175.8-52.4-54.5-177.7-175.1-0.4110P5 Y37 Y38 N41P5-R7 PolarHBondContact O-N 2.93Å; R7-Y37 HydrophobicContact CG-CE1 4.15Å; R7-Y37 PolarHBondContact NE-O 2.96Å; R7-Y38 HydrophobicContact CB-CD1 3.89Å; R7-Y38 HydrophobicContact CB-CE1 3.95Å; R7-Y38 HydrophobicContact CG-CD1 3.7Å; R7-Y38 HydrophobicContact CG-CE1 3.94Å; R7-N41 WeakPolarHBondContact CB-OD1 3.31Å; R7-N41 PolarHBondContact N-OD1 3.05Å; R7-N41 PolarHBondContact O-ND2 2.78Å
8S92.6Very high86.3Confident75 Ų7580.9 Ų80.952%0.52442%0.423SS..PPolyproline II helixtrans-61.2149.1-179.9650000111.4N10 D11 F12S8-N10 VanDerWaalsContact C-N 3.28Å; S8-N10 PolarHBondContact O-N 2.89Å; S8-D11 PolarHBondContact O-N 3.3Å; S8-D11 VanDerWaalsContact O-N 3.15Å; S8-D11 WeakPolarHBondContact OG-CB 3.48Å; S8-D11 PolarHBondContact OG-N 3.43Å; S8-F12 PolarHBondContact O-N 3.31Å
9F92.4Very high86.6Confident137 Ų13781.7 Ų81.760%0.60142%0.421SS*.Hα-helixtrans-57.2-42.4177.3178.1-95.4000112D11 F12 L13 G14F9-D11 VanDerWaalsContact C-N 3.29Å; F9-D11 PolarHBondContact O-N 3.47Å; F9-F12 PolarHBondContact O-N 3.28Å; F9-F12 VanDerWaalsContact O-N 3.14Å; F9-L13 HydrophobicContact CD2-CB 4.38Å; F9-L13 HydrophobicContact CE2-CB 3.88Å; F9-L13 HydrophobicContact CE2-CD1 3.94Å; F9-L13 HydrophobicContact CZ-CB 4.05Å; F9-L13 PolarHBondContact O-N 3.48Å; F9-G14 PolarHBondContact O-N 3Å
10N91.1Very high86.8Confident93 Ų9379.7 Ų79.750%0.49741%0.414SS..Hα-helixtrans-62.1-33.9178.4-78.2-30.7000113.5S8 G14 G16S8-N10 VanDerWaalsContact C-N 3.28Å; S8-N10 PolarHBondContact O-N 2.89Å; N10-G14 CarbonylContact O-C 3.43Å; N10-G16 VanDerWaalsContact O-CA 3.25Å; N10-G16 WeakPolarHBondContact O-CA 3.29Å; N10-G16 PolarHBondContact O-N 3.29Å
11D90Very high86.9Confident25 Ų2582.4 Ų82.413%0.13443%0.428CS..Hα-helixtrans-72-51.4170.8-175.345.8000109.3S8 F9 Y38 R131 N134S8-D11 PolarHBondContact O-N 3.3Å; S8-D11 VanDerWaalsContact O-N 3.15Å; S8-D11 WeakPolarHBondContact OG-CB 3.48Å; S8-D11 PolarHBondContact OG-N 3.43Å; F9-D11 VanDerWaalsContact C-N 3.29Å; F9-D11 PolarHBondContact O-N 3.47Å; D11-Y38 VanDerWaalsContact CG-OH 3.25Å; D11-Y38 PolarHBondContact OD1-OH 3.06Å; D11-Y38 WeakPolarHBondContact OD2-CE1 3.43Å; D11-Y38 PolarHBondContact OD2-OH 3.36Å; D11-R131 PolarHBondContact O-NH1 3.38Å; D11-R131 PolarHBondContact O-NH2 2.78Å; D11-R131 IonicContact OD1-NH2 3.38Å; D11-R131 PolarHBondContact OD1-NH2 3.21Å; D11-N134 PolarHBondContact OD1-ND2 3.48Å; D11-N134 VanDerWaalsContact OD1-ND2 3.14Å
12F92.7Very high87.9Confident8 Ų875.5 Ų75.54%0.03540%0.395CS..Hα-helixtrans-65.7-52.4-172.1-174.9-123.5000115.2S8 F9 Y19 Y38 N41 Y42 L45 H127 R131S8-F12 PolarHBondContact O-N 3.31Å; F9-F12 PolarHBondContact O-N 3.28Å; F9-F12 VanDerWaalsContact O-N 3.14Å; F12-Y19 PolarHBondContact O-OH 3.3Å; F12-Y38 HydrophobicContact CB-CD1 4.38Å; F12-Y38 HydrophobicContact CB-CE1 4.39Å; F12-Y38 AromaticContact CD2-CD1 3.52Å; F12-Y38 HydrophobicContact CD2-CD1 3.52Å; F12-Y38 HydrophobicContact CD2-CD2 4.5Å; F12-Y38 HydrophobicContact CD2-CE1 4.11Å; F12-Y38 AromaticContact CD2-CG 3.76Å; F12-Y38 HydrophobicContact CD2-CG 3.76Å; F12-Y38 HydrophobicContact CE2-CD1 4.28Å; F12-Y38 HydrophobicContact CE2-CG 4.1Å; F12-Y38 HydrophobicContact CG-CD1 4.38Å; F12-N41 HydrophobicContact CD1-CB 3.98Å; F12-N41 HydrophobicContact CD2-CB 3.82Å; F12-N41 HydrophobicContact CE1-CB 3.97Å; F12-N41 HydrophobicContact CE2-CB 3.76Å; F12-N41 HydrophobicContact CG-CB 3.93Å; F12-N41 HydrophobicContact CZ-CB 3.86Å; F12-Y42 AromaticContact CE2-CD1 3.97Å; F12-Y42 HydrophobicContact CE2-CD1 3.97Å; F12-Y42 AromaticContact CE2-CE1 3.57Å; F12-Y42 HydrophobicContact CE2-CE1 3.57Å; F12-Y42 AromaticContact CZ-CD1 3.81Å; F12-Y42 HydrophobicContact CZ-CD1 3.81Å; F12-Y42 AromaticContact CZ-CE1 3.72Å; F12-Y42 HydrophobicContact CZ-CE1 3.72Å; F12-L45 HydrophobicContact CE1-CD2 4.26Å; F12-L45 HydrophobicContact CZ-CD2 4.18Å; F12-H127 AromaticContact CD2-CE1 3.52Å; F12-H127 AromaticContact CE2-CE1 3.18Å; F12-H127 WeakPolarHBondContact CE2-CE1 3.36Å; F12-H127 AromaticContact CE2-ND1 3.56Å; F12-H127 AromaticContact CE2-NE2 3.9Å; F12-H127 AromaticContact CZ-CE1 3.8Å; F12-H127 AromaticContact CZ-ND1 3.99Å; F12-H127 PolarHBondContact O-NE2 2.94Å; F12-H127 VanDerWaalsContact O-NE2 3.09Å; F12-R131 PolarHBondContact O-NH1 2.61Å
13L91.8Very high88.4Confident72 Ų7283.6 Ų83.638%0.37743%0.426SS..THydrogen-bonded Turntrans-129.4-21.5-173.7-73.5168.4000114.4F9F9-L13 HydrophobicContact CD2-CB 4.38Å; F9-L13 HydrophobicContact CE2-CB 3.88Å; F9-L13 HydrophobicContact CE2-CD1 3.94Å; F9-L13 HydrophobicContact CZ-CB 4.05Å; F9-L13 PolarHBondContact O-N 3.48Å
14G90.1Very high88.6Confident15 Ų1581.4 Ų81.416%0.15542%0.42CS..SBendtrans-81.8-154.7-175.600000114F9 N10 G16 A17F9-G14 PolarHBondContact O-N 3Å; N10-G14 CarbonylContact O-C 3.43Å; G14-G16 PolarHBondContact O-N 3Å; G14-G16 VanDerWaalsContact O-N 3.07Å; G14-A17 WeakPolarHBondContact O-CB 3.32Å; G14-A17 PolarHBondContact O-N 3.43Å
15F86.3Confident88.3Confident207 Ų20786.3 Ų86.391%0.90845%0.454SS*.THydrogen-bonded Turntrans-63-19.2-171.3-57.9-74.4000115.6A17F15-A17 PolarHBondContact O-N 3.3Å
16G82.4Confident87.8Confident39 Ų3988.9 Ų88.940%0.40246%0.457SS..THydrogen-bonded Turntrans-78.2-7.3173.500000113.3N10 G14N10-G16 VanDerWaalsContact O-CA 3.25Å; N10-G16 WeakPolarHBondContact O-CA 3.29Å; N10-G16 PolarHBondContact O-N 3.29Å; G14-G16 PolarHBondContact O-N 3Å; G14-G16 VanDerWaalsContact O-N 3.07Å
17A88.7Confident87.6Confident17 Ų1790.1 Ų90.114%0.1446%0.455CS..  trans-83.7133.8179.900000112.5G14 F15 Y19G14-A17 WeakPolarHBondContact O-CB 3.32Å; G14-A17 PolarHBondContact O-N 3.43Å; F15-A17 PolarHBondContact O-N 3.3Å; A17-Y19 HydrophobicContact CB-CD2 4.4Å; A17-Y19 HydrophobicContact CB-CE2 3.47Å; A17-Y19 VanDerWaalsContact CB-CE2 3.47Å; A17-Y19 WeakPolarHBondContact CB-OH 3.33Å
18R91Very high87.4Confident173 Ų17391.1 Ų91.165%0.65346%0.463SS*.  trans-123.7133.2169.5-63.5-176.4-177.2-174-0.1109.7Q132R18-Q132 HydrophobicContact CB-CB 4.16Å; R18-Q132 HydrophobicContact CB-CG 4.27Å; R18-Q132 PolarHBondContact O-N 3.35Å
19Y92Very high86.9Confident96 Ų9690 Ų9038%0.37645%0.45SS..BIsolated β-bridgetrans-120.7139.7-178.5-58.4-81000111.2F12 A17 H127 C130 R131F12-Y19 PolarHBondContact O-OH 3.3Å; A17-Y19 HydrophobicContact CB-CD2 4.4Å; A17-Y19 HydrophobicContact CB-CE2 3.47Å; A17-Y19 VanDerWaalsContact CB-CE2 3.47Å; A17-Y19 WeakPolarHBondContact CB-OH 3.33Å; Y19-H127 AromaticContact CE1-CD2 3.68Å; Y19-H127 AromaticContact CE1-NE2 3.55Å; Y19-H127 AromaticContact CZ-NE2 3.68Å; Y19-H127 PolarHBondContact OH-NE2 3.48Å; Y19-C130 CarbonylContact C-O 3.28Å; Y19-C130 WeakPolarHBondContact CA-O 3.49Å; Y19-C130 HydrophobicContact CD1-CB 4.18Å; Y19-R131 HydrophobicContact CD1-CB 4.15Å; Y19-R131 HydrophobicContact CE1-CB 3.97Å; Y19-R131 HydrophobicContact CE1-CG 4.34Å
20S91.3Very high86.7Confident41 Ų4185.2 Ų85.229%0.28743%0.428SS..  trans-157.3147.4168.862.30000109.7R30 C130 Q132S20-R30 PolarHBondContact O-NH1 3.38Å; S20-R30 PolarHBondContact O-NH2 3.32Å; S20-R30 PolarHBondContact OG-NH1 3Å; S20-R30 PolarHBondContact OG-NH2 2.93Å; S20-C130 PolarHBondContact N-O 3.21Å; S20-C130 VanDerWaalsContact O-O 3.06Å; S20-Q132 VanDerWaalsContact CB-NE2 3.34Å; S20-Q132 WeakPolarHBondContact OG-CG 3.46Å; S20-Q132 PolarHBondContact OG-NE2 3.39Å
21I89.3Confident86.6Confident137 Ų13782.7 Ų82.770%0.70341%0.414SS*.PPolyproline II helixtrans-61.4128.8168.9-59.3170.8000107.8R23I21-R23 PolarHBondContact O-N 3.18Å
22P86.3Confident86.5Confident27 Ų2781.9 Ų81.918%0.17541%0.41CS..PPolyproline II helixtrans-61130.5175.824.9-32.1000110.1W27 L129P22-W27 HydrophobicContact CB-CB 3.79Å; P22-W27 HydrophobicContact CG-CB 3.77Å; P22-L129 HydrophobicContact CG-CD1 3.71Å; P22-L129 HydrophobicContact CG-CG 3.86Å
23R82.4Confident86.1Confident241 Ų24182 Ų8291%0.90941%0.411SS*.PPolyproline II helixtrans-100131.9172.7-60.9-178-172169.40.6108.2I21I21-R23 PolarHBondContact O-N 3.18Å
24G78.9Confident86.1Confident59 Ų5978.5 Ų78.561%0.60839%0.393SS*.SBendtrans81.9-172.2175.700000115.5K26G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 2.96Å
25C76Confident86.2Confident120 Ų12078.4 Ų78.481%0.81139%0.389SS*.THydrogen-bonded Turntrans-73.9-5.9-165.7-52.80000115.5W27 N28C25-W27 PolarHBondContact O-N 3.5Å; C25-N28 PolarHBondContact O-OD1 3.29Å
26K78.9Confident86.2Confident133 Ų13370.3 Ų70.358%0.57836%0.355SS*.THydrogen-bonded Turntrans-93.422.5-174.4-61-168.6171-159.50114.7G24 N28 R30G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 2.96Å; K26-N28 VanDerWaalsContact C-N 3.29Å; K26-N28 PolarHBondContact O-N 3.32Å; K26-R30 PolarHBondContact O-N 3.3Å
27W84.9Confident86.4Confident128 Ų12869 Ų6949%0.48534%0.338SS..Hα-helixtrans-67.2-32.4-179.269.1-94.7000112.2P22 C25 R30 M31 L129P22-W27 HydrophobicContact CB-CB 3.79Å; P22-W27 HydrophobicContact CG-CB 3.77Å; C25-W27 PolarHBondContact O-N 3.5Å; W27-R30 WeakPolarHBondContact O-CB 3.36Å; W27-R30 PolarHBondContact O-N 3.24Å; W27-M31 HydrophobicContact CZ3-CE 3.9Å; W27-M31 HydrophobicContact CZ3-SD 4.17Å; W27-M31 WeakPolarHBondContact O-CB 3.28Å; W27-M31 PolarHBondContact O-N 2.95Å; W27-L129 HydrophobicContact CB-CD1 4.02Å; W27-L129 HydrophobicContact CD2-CD1 4.44Å; W27-L129 HydrophobicContact CE3-CD1 3.75Å
28N86.5Confident86.6Confident70 Ų7068.2 Ų68.237%0.37433%0.331SS..Hα-helixtrans-64.1-49.6177.662.4-26.8000111.6C25 K26 R30 M31 V32C25-N28 PolarHBondContact O-OD1 3.29Å; K26-N28 VanDerWaalsContact C-N 3.29Å; K26-N28 PolarHBondContact O-N 3.32Å; N28-R30 PolarHBondContact O-N 2.87Å; N28-M31 PolarHBondContact O-N 3.27Å; N28-V32 WeakPolarHBondContact O-CB 3.38Å; N28-V32 WeakPolarHBondContact O-CG2 3.41Å; N28-V32 PolarHBondContact O-N 2.92Å
29E82.9Confident86.6Confident52 Ų5260.3 Ų60.324%0.24330%0.302CS..Hα-helixtrans-56-43.5176.2-65.9176.1-158.400110.5S33 L169E29-S33 WeakPolarHBondContact O-CA 3.38Å; E29-S33 WeakPolarHBondContact O-CB 3.21Å; E29-S33 PolarHBondContact O-N 3.16Å; E29-L169 HydrophobicContact CB-CD2 4.45Å; E29-L169 HydrophobicContact CG-CD2 3.81Å
30R87Confident86.7Confident36 Ų3657.1 Ų57.114%0.13629%0.293CS..Hα-helixtrans-62.7-51.3178-176.7179.3-174.3170.5-0.8111.5S20 K26 W27 N28 S33 N34 L129 C130 R131 Q132S20-R30 PolarHBondContact O-NH1 3.38Å; S20-R30 PolarHBondContact O-NH2 3.32Å; S20-R30 PolarHBondContact OG-NH1 3Å; S20-R30 PolarHBondContact OG-NH2 2.93Å; K26-R30 PolarHBondContact O-N 3.3Å; W27-R30 WeakPolarHBondContact O-CB 3.36Å; W27-R30 PolarHBondContact O-N 3.24Å; N28-R30 PolarHBondContact O-N 2.87Å; R30-S33 PolarHBondContact O-N 3.38Å; R30-N34 WeakPolarHBondContact O-CB 3.4Å; R30-N34 VanDerWaalsContact O-CG 3.32Å; R30-N34 PolarHBondContact O-N 3.06Å; R30-N34 PolarHBondContact O-ND2 3.48Å; R30-L129 VanDerWaalsContact CD-O 3.27Å; R30-L129 WeakPolarHBondContact CD-O 3.31Å; R30-L129 PolarHBondContact NE-O 2.96Å; R30-L129 VanDerWaalsContact NE-O 3.09Å; R30-C130 VanDerWaalsContact NH2-C 3.33Å; R30-C130 PolarHBondContact NH2-O 3.38Å; R30-R131 PolarHBondContact NE-O 3.07Å; R30-R131 PolarHBondContact NH2-O 3.19Å; R30-Q132 VanDerWaalsContact NH2-N 3.16Å
31M89.7Confident86.9Confident41 Ų4155.8 Ų55.820%0.20228%0.283CS..Hα-helixtrans-61.6-54.9-178.8-173.9179.774.900111.2W27 N28 S33 N34 L35 A128 L129W27-M31 HydrophobicContact CZ3-CE 3.9Å; W27-M31 HydrophobicContact CZ3-SD 4.17Å; W27-M31 WeakPolarHBondContact O-CB 3.28Å; W27-M31 PolarHBondContact O-N 2.95Å; N28-M31 PolarHBondContact O-N 3.27Å; M31-S33 VanDerWaalsContact C-N 3.27Å; M31-S33 PolarHBondContact O-N 3.22Å; M31-N34 PolarHBondContact O-N 2.98Å; M31-N34 VanDerWaalsContact O-N 3.13Å; M31-L35 HydrophobicContact CG-CD1 4.05Å; M31-L35 HydrophobicContact CG-CG 4.4Å; M31-L35 WeakPolarHBondContact O-CG 3.49Å; M31-L35 PolarHBondContact O-N 3.44Å; M31-A128 HydrophobicContact CG-CB 3.98Å; M31-L129 HydrophobicContact CB-CD1 4.4Å
32V87.4Confident87.3Confident7 Ų749.3 Ų49.34%0.04225%0.25CC..Hα-helixtrans-59.3-41.7179.5173.80000110.7N28 N34 L35 I36 L159 V164 L169N28-V32 WeakPolarHBondContact O-CB 3.38Å; N28-V32 WeakPolarHBondContact O-CG2 3.41Å; N28-V32 PolarHBondContact O-N 2.92Å; V32-N34 VanDerWaalsContact C-N 3.29Å; V32-N34 PolarHBondContact O-N 2.93Å; V32-L35 PolarHBondContact O-N 3.29Å; V32-I36 HydrophobicContact CG1-CD1 3.78Å; V32-I36 WeakPolarHBondContact O-CG1 3.16Å; V32-I36 PolarHBondContact O-N 3.46Å; V32-I36 VanDerWaalsContact O-N 3.13Å; V32-L159 HydrophobicContact CG1-CD1 3.85Å; V32-V164 HydrophobicContact CG1-CG1 4.33Å; V32-V164 HydrophobicContact CG2-CG1 3.87Å; V32-L169 HydrophobicContact CB-CD1 3.78Å; V32-L169 HydrophobicContact CG1-CD1 3.36Å; V32-L169 HydrophobicContact CG2-CD1 4.24Å
33S85Confident87.7Confident10 Ų1051.7 Ų51.77%0.0726%0.257CS..Hα-helixtrans-59.6-43.1178.7169.40000112.2E29 R30 M31 Y37 K141E29-S33 WeakPolarHBondContact O-CA 3.38Å; E29-S33 WeakPolarHBondContact O-CB 3.21Å; E29-S33 PolarHBondContact O-N 3.16Å; R30-S33 PolarHBondContact O-N 3.38Å; M31-S33 VanDerWaalsContact C-N 3.27Å; M31-S33 PolarHBondContact O-N 3.22Å; S33-Y37 WeakPolarHBondContact O-CB 3.29Å; S33-Y37 PolarHBondContact O-N 2.89Å; S33-K141 VanDerWaalsContact O-CE 3.31Å; S33-K141 WeakPolarHBondContact O-CE 3.26Å; S33-K141 PolarHBondContact O-NZ 2.9Å; S33-K141 WeakPolarHBondContact OG-CE 3.45Å; S33-K141 PolarHBondContact OG-NZ 3.32Å
34N91.5Very high88.4Confident0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-73.1-40.6179.4-73.1-30000112R30 M31 V32 I36 Y37 Y38 Y42 A128 R131R30-N34 WeakPolarHBondContact O-CB 3.4Å; R30-N34 VanDerWaalsContact O-CG 3.32Å; R30-N34 PolarHBondContact O-N 3.06Å; R30-N34 PolarHBondContact O-ND2 3.48Å; M31-N34 PolarHBondContact O-N 2.98Å; M31-N34 VanDerWaalsContact O-N 3.13Å; V32-N34 VanDerWaalsContact C-N 3.29Å; V32-N34 PolarHBondContact O-N 2.93Å; N34-I36 VanDerWaalsContact C-N 3.3Å; N34-I36 PolarHBondContact O-N 2.9Å; N34-Y37 PolarHBondContact O-N 2.88Å; N34-Y38 PolarHBondContact O-N 3.06Å; N34-Y42 WeakPolarHBondContact O-CE2 3.42Å; N34-A128 HydrophobicContact CB-CB 4.14Å; N34-A128 PolarHBondContact ND2-O 3.02Å; N34-R131 PolarHBondContact ND2-O 3.14Å
35L91.6Very high89.3Confident12 Ų1242.6 Ų42.66%0.06321%0.212CC..Hα-helixtrans-54.1-45.2176-75.4173.9000112.1M31 V32 Q39 Y42 V124 A128 M155 L159M31-L35 HydrophobicContact CG-CD1 4.05Å; M31-L35 HydrophobicContact CG-CG 4.4Å; M31-L35 WeakPolarHBondContact O-CG 3.49Å; M31-L35 PolarHBondContact O-N 3.44Å; V32-L35 PolarHBondContact O-N 3.29Å; L35-Q39 VanDerWaalsContact O-CA 3.31Å; L35-Q39 WeakPolarHBondContact O-CA 3.4Å; L35-Q39 WeakPolarHBondContact O-CB 3.47Å; L35-Q39 PolarHBondContact O-N 3.13Å; L35-Y42 HydrophobicContact CD2-CD2 4.15Å; L35-Y42 HydrophobicContact CD2-CE2 4.09Å; L35-V124 HydrophobicContact CD2-CG1 3.61Å; L35-A128 HydrophobicContact CD2-CB 3.89Å; L35-A128 HydrophobicContact CG-CB 3.92Å; L35-M155 HydrophobicContact CB-CE 4.41Å; L35-M155 HydrophobicContact CB-CG 4.08Å; L35-M155 HydrophobicContact CB-SD 4.26Å; L35-M155 HydrophobicContact CD2-CE 4.03Å; L35-M155 HydrophobicContact CD2-SD 4.42Å; L35-L159 HydrophobicContact CD1-CD2 4.13Å
36I87.4Confident90.4Very high37 Ų3738 Ų3819%0.1918%0.182CC..Hα-helixtrans-71.2-42.6178.7-63.7164.1000111.1V32 N34 L159 V166V32-I36 HydrophobicContact CG1-CD1 3.78Å; V32-I36 WeakPolarHBondContact O-CG1 3.16Å; V32-I36 PolarHBondContact O-N 3.46Å; V32-I36 VanDerWaalsContact O-N 3.13Å; N34-I36 VanDerWaalsContact C-N 3.3Å; N34-I36 PolarHBondContact O-N 2.9Å; I36-L159 HydrophobicContact CD1-CD1 4.26Å; I36-L159 HydrophobicContact CG1-CD1 4.07Å; I36-V166 HydrophobicContact CD1-CB 4.38Å; I36-V166 HydrophobicContact CD1-CG1 3.36Å; I36-V166 HydrophobicContact CD1-CG2 4.08Å
37Y86.6Confident91.3Very high13 Ų1336.3 Ų36.35%0.05118%0.178CC..Hα-helixtrans-70.3-39.7-174-173-91.8000113.6R7 S33 N34 N137 C140R7-Y37 HydrophobicContact CG-CE1 4.15Å; R7-Y37 PolarHBondContact NE-O 2.96Å; S33-Y37 WeakPolarHBondContact O-CB 3.29Å; S33-Y37 PolarHBondContact O-N 2.89Å; N34-Y37 PolarHBondContact O-N 2.88Å; Y37-N137 HydrophobicContact CD2-CB 4.09Å; Y37-N137 VanDerWaalsContact CE1-OD1 3.25Å; Y37-N137 WeakPolarHBondContact CE1-OD1 3.47Å; Y37-N137 HydrophobicContact CE2-CB 4.09Å; Y37-N137 HydrophobicContact CG-CB 4.37Å; Y37-N137 PolarHBondContact OH-OD1 3.47Å; Y37-C140 HydrophobicContact CE2-CB 3.99Å
38Y91.7Very high91.9Very high0 Ų034.6 Ų34.60%018%0.178CC..THydrogen-bonded Turntrans-104.419.9-178.2-65.6-71000113.1R7 D11 F12 N34 S40 N41 Y42 R131 N137R7-Y38 HydrophobicContact CB-CD1 3.89Å; R7-Y38 HydrophobicContact CB-CE1 3.95Å; R7-Y38 HydrophobicContact CG-CD1 3.7Å; R7-Y38 HydrophobicContact CG-CE1 3.94Å; D11-Y38 VanDerWaalsContact CG-OH 3.25Å; D11-Y38 PolarHBondContact OD1-OH 3.06Å; D11-Y38 WeakPolarHBondContact OD2-CE1 3.43Å; D11-Y38 PolarHBondContact OD2-OH 3.36Å; F12-Y38 HydrophobicContact CB-CD1 4.38Å; F12-Y38 HydrophobicContact CB-CE1 4.39Å; F12-Y38 AromaticContact CD2-CD1 3.52Å; F12-Y38 HydrophobicContact CD2-CD1 3.52Å; F12-Y38 HydrophobicContact CD2-CD2 4.5Å; F12-Y38 HydrophobicContact CD2-CE1 4.11Å; F12-Y38 AromaticContact CD2-CG 3.76Å; F12-Y38 HydrophobicContact CD2-CG 3.76Å; F12-Y38 HydrophobicContact CE2-CD1 4.28Å; F12-Y38 HydrophobicContact CE2-CG 4.1Å; F12-Y38 HydrophobicContact CG-CD1 4.38Å; N34-Y38 PolarHBondContact O-N 3.06Å; Y38-S40 VanDerWaalsContact C-N 3.33Å; Y38-S40 PolarHBondContact O-N 3.33Å; Y38-N41 WeakPolarHBondContact O-CA 3.36Å; Y38-N41 WeakPolarHBondContact O-CB 3.03Å; Y38-N41 PolarHBondContact O-N 3.2Å; Y38-Y42 VanDerWaalsContact O-CD2 3.31Å; Y38-Y42 WeakPolarHBondContact O-CD2 3.36Å; Y38-Y42 PolarHBondContact O-N 3.3Å; Y38-R131 PolarHBondContact OH-NE 3.01Å; Y38-R131 VanDerWaalsContact OH-NE 3.12Å; Y38-R131 PolarHBondContact OH-NH2 2.81Å; Y38-N137 PolarHBondContact OH-ND2 3.31Å
39Q91.9Very high92.4Very high7 Ų732.5 Ų32.53%0.03317%0.166CC..Hα-helixtrans-45-52.5-174.8174.1179.3-3600113.5L35 N41 Y42 F43 T153 M155L35-Q39 VanDerWaalsContact O-CA 3.31Å; L35-Q39 WeakPolarHBondContact O-CA 3.4Å; L35-Q39 WeakPolarHBondContact O-CB 3.47Å; L35-Q39 PolarHBondContact O-N 3.13Å; Q39-N41 VanDerWaalsContact C-N 3.33Å; Q39-N41 PolarHBondContact O-N 2.91Å; Q39-Y42 PolarHBondContact O-N 3.16Å; Q39-F43 HydrophobicContact CG-CD2 3.73Å; Q39-F43 HydrophobicContact CG-CE2 3.37Å; Q39-F43 HydrophobicContact CG-CZ 4.48Å; Q39-F43 WeakPolarHBondContact O-CD2 3.49Å; Q39-F43 PolarHBondContact O-N 3.32Å; Q39-T153 PolarHBondContact OE1-OG1 3.43Å; Q39-M155 HydrophobicContact CB-CB 4.26Å; Q39-M155 VanDerWaalsContact CD-CB 3.47Å; Q39-M155 HydrophobicContact CG-CB 3.72Å
40S93.7Very high93.1Very high29 Ų2932.8 Ų32.820%0.20317%0.169CC..Hα-helixtrans-68-33-177.2-57.90000112.7V4 Y38 L44V4-S40 PolarHBondContact O-OG 2.88Å; Y38-S40 VanDerWaalsContact C-N 3.33Å; Y38-S40 PolarHBondContact O-N 3.33Å; S40-L44 WeakPolarHBondContact O-CB 3.27Å; S40-L44 PolarHBondContact O-N 2.86Å
41N95.6Very high93.6Very high12 Ų1235.9 Ų35.96%0.06419%0.187CC..Hα-helixtrans-67.5-37.7173.8-65.162.5000111.2L6 R7 F12 Y38 Q39 L44 L45L6-N41 HydrophobicContact CD1-CB 4.41Å; R7-N41 WeakPolarHBondContact CB-OD1 3.31Å; R7-N41 PolarHBondContact N-OD1 3.05Å; R7-N41 PolarHBondContact O-ND2 2.78Å; F12-N41 HydrophobicContact CD1-CB 3.98Å; F12-N41 HydrophobicContact CD2-CB 3.82Å; F12-N41 HydrophobicContact CE1-CB 3.97Å; F12-N41 HydrophobicContact CE2-CB 3.76Å; F12-N41 HydrophobicContact CG-CB 3.93Å; F12-N41 HydrophobicContact CZ-CB 3.86Å; Y38-N41 WeakPolarHBondContact O-CA 3.36Å; Y38-N41 WeakPolarHBondContact O-CB 3.03Å; Y38-N41 PolarHBondContact O-N 3.2Å; Q39-N41 VanDerWaalsContact C-N 3.33Å; Q39-N41 PolarHBondContact O-N 2.91Å; N41-L44 PolarHBondContact O-N 2.91Å; N41-L45 WeakPolarHBondContact O-CB 3.29Å; N41-L45 PolarHBondContact O-N 3.34Å
42Y96.5Very high94Very high2 Ų238.8 Ų38.81%0.00820%0.203CC..Hα-helixtrans-67.4-43.4176-67.8-47.7000112.5F12 N34 L35 Y38 Q39 L44 L45 S46 V124 H127 A128F12-Y42 AromaticContact CE2-CD1 3.97Å; F12-Y42 HydrophobicContact CE2-CD1 3.97Å; F12-Y42 AromaticContact CE2-CE1 3.57Å; F12-Y42 HydrophobicContact CE2-CE1 3.57Å; F12-Y42 AromaticContact CZ-CD1 3.81Å; F12-Y42 HydrophobicContact CZ-CD1 3.81Å; F12-Y42 AromaticContact CZ-CE1 3.72Å; F12-Y42 HydrophobicContact CZ-CE1 3.72Å; N34-Y42 WeakPolarHBondContact O-CE2 3.42Å; L35-Y42 HydrophobicContact CD2-CD2 4.15Å; L35-Y42 HydrophobicContact CD2-CE2 4.09Å; Y38-Y42 VanDerWaalsContact O-CD2 3.31Å; Y38-Y42 WeakPolarHBondContact O-CD2 3.36Å; Y38-Y42 PolarHBondContact O-N 3.3Å; Q39-Y42 PolarHBondContact O-N 3.16Å; Y42-L44 VanDerWaalsContact C-N 3.34Å; Y42-L44 PolarHBondContact O-N 2.83Å; Y42-L45 PolarHBondContact O-N 3.35Å; Y42-S46 WeakPolarHBondContact O-CB 3.32Å; Y42-S46 PolarHBondContact O-N 3.49Å; Y42-S46 PolarHBondContact O-OG 2.95Å; Y42-S46 VanDerWaalsContact O-OG 3.08Å; Y42-V124 HydrophobicContact CD1-CB 4.09Å; Y42-V124 HydrophobicContact CD1-CG1 3.7Å; Y42-V124 HydrophobicContact CD1-CG2 3.79Å; Y42-V124 HydrophobicContact CD2-CG1 4.15Å; Y42-V124 HydrophobicContact CE1-CG1 4.18Å; Y42-V124 HydrophobicContact CG-CB 4.45Å; Y42-V124 HydrophobicContact CG-CG1 3.68Å; Y42-V124 HydrophobicContact CG-CG2 4.13Å; Y42-H127 HydrophobicContact CE1-CB 4.09Å; Y42-H127 AromaticContact CE1-CG 3.95Å; Y42-H127 AromaticContact CE1-ND1 3.32Å; Y42-H127 VanDerWaalsContact CE1-ND1 3.32Å; Y42-H127 WeakPolarHBondContact CE1-ND1 3.46Å; Y42-H127 AromaticContact CZ-ND1 3.56Å; Y42-H127 PolarHBondContact OH-ND1 3.33Å; Y42-A128 HydrophobicContact CE2-CB 4.4Å; Y42-A128 VanDerWaalsContact OH-CA 3.3Å; Y42-A128 WeakPolarHBondContact OH-CA 3.46Å; Y42-A128 WeakPolarHBondContact OH-CB 3.42Å; Y42-A128 PolarHBondContact OH-N 3.42Å
43F96.2Very high94.5Very high76 Ų7641 Ų4133%0.33321%0.214SC..Hα-helixtrans-61.7-43.5174.7-73.4-58.6000112Q39 S46 L47 L154 M158Q39-F43 HydrophobicContact CG-CD2 3.73Å; Q39-F43 HydrophobicContact CG-CE2 3.37Å; Q39-F43 HydrophobicContact CG-CZ 4.48Å; Q39-F43 WeakPolarHBondContact O-CD2 3.49Å; Q39-F43 PolarHBondContact O-N 3.32Å; F43-S46 PolarHBondContact O-N 3.29Å; F43-L47 WeakPolarHBondContact O-CB 3.36Å; F43-L47 PolarHBondContact O-N 3.27Å; F43-L154 HydrophobicContact CE1-CD2 4.27Å; F43-L154 HydrophobicContact CE2-CD2 3.89Å; F43-L154 HydrophobicContact CE2-CG 4.41Å; F43-L154 HydrophobicContact CZ-CD2 3.59Å; F43-L154 HydrophobicContact CZ-CG 4.06Å; F43-M158 HydrophobicContact CE1-SD 4.38Å; F43-M158 HydrophobicContact CZ-SD 4.09Å
44L97.1Very high95Very high76 Ų7641.7 Ų41.740%0.39822%0.219SC..Hα-helixtrans-63.6-45.3176.2-179.260.9000111.9L6 S40 N41 Y42 S46 L47 I48L6-L44 HydrophobicContact CD1-CB 4.43Å; L6-L44 HydrophobicContact CD1-CD2 3.95Å; L6-L44 HydrophobicContact CD2-CD2 4.08Å; S40-L44 WeakPolarHBondContact O-CB 3.27Å; S40-L44 PolarHBondContact O-N 2.86Å; N41-L44 PolarHBondContact O-N 2.91Å; Y42-L44 VanDerWaalsContact C-N 3.34Å; Y42-L44 PolarHBondContact O-N 2.83Å; L44-S46 PolarHBondContact O-N 3.44Å; L44-L47 PolarHBondContact O-N 3.3Å; L44-I48 HydrophobicContact CD1-CD1 4.15Å; L44-I48 HydrophobicContact CD1-CG1 4.37Å; L44-I48 HydrophobicContact CG-CD1 3.94Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.26Å; L44-I48 PolarHBondContact O-N 3.47Å
45L97.3Very high95.2Very high34 Ų3445.3 Ų45.318%0.17825%0.249CC..Hα-helixtrans-59.8-46.5177.217963.9000111.1F12 N41 Y42 L47 I48 I49 T123F12-L45 HydrophobicContact CE1-CD2 4.26Å; F12-L45 HydrophobicContact CZ-CD2 4.18Å; N41-L45 WeakPolarHBondContact O-CB 3.29Å; N41-L45 PolarHBondContact O-N 3.34Å; Y42-L45 PolarHBondContact O-N 3.35Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.93Å; L45-I48 PolarHBondContact O-N 2.93Å; L45-I49 HydrophobicContact CD1-CD1 4.04Å; L45-I49 HydrophobicContact CD1-CG1 4.37Å; L45-I49 HydrophobicContact CG-CD1 3.91Å; L45-I49 VanDerWaalsContact O-CG1 3.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.85Å; L45-T123 HydrophobicContact CD2-CG2 3.99Å
46S98Very high95.5Very high24 Ų2450.9 Ų50.917%0.16828%0.278CS..Hα-helixtrans-61-43.1177.2-670000112Y42 F43 L44 I49 I50Y42-S46 WeakPolarHBondContact O-CB 3.32Å; Y42-S46 PolarHBondContact O-N 3.49Å; Y42-S46 PolarHBondContact O-OG 2.95Å; Y42-S46 VanDerWaalsContact O-OG 3.08Å; F43-S46 PolarHBondContact O-N 3.29Å; L44-S46 PolarHBondContact O-N 3.44Å; S46-I49 PolarHBondContact O-N 3.49Å; S46-I50 WeakPolarHBondContact O-CB 3.44Å; S46-I50 VanDerWaalsContact O-CG1 3.27Å; S46-I50 WeakPolarHBondContact O-CG1 3.31Å; S46-I50 PolarHBondContact O-N 3.34Å
47L97.8Very high95.8Very high96 Ų9652.5 Ų52.550%0.50329%0.287SS..Hα-helixtrans-61.2-45.7176.4-179.263.3000111.6F43 L44 L45 I49 I50 I51F43-L47 WeakPolarHBondContact O-CB 3.36Å; F43-L47 PolarHBondContact O-N 3.27Å; L44-L47 PolarHBondContact O-N 3.3Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.93Å; L47-I49 PolarHBondContact O-N 3.25Å; L47-I50 PolarHBondContact O-N 2.87Å; L47-I51 HydrophobicContact CD1-CD1 3.89Å; L47-I51 HydrophobicContact CD1-CG1 4.24Å; L47-I51 HydrophobicContact CG-CD1 3.84Å; L47-I51 WeakPolarHBondContact O-CB 3.35Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.42Å; L47-I51 PolarHBondContact O-N 3.01Å
48I98Very high96.3Very high93 Ų9354.9 Ų54.948%0.47730%0.304SS..Hα-helixtrans-59.6-47177.4-70.2166.1000110.7L44 L45 I51 L52L44-I48 HydrophobicContact CD1-CD1 4.15Å; L44-I48 HydrophobicContact CD1-CG1 4.37Å; L44-I48 HydrophobicContact CG-CD1 3.94Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.26Å; L44-I48 PolarHBondContact O-N 3.47Å; L45-I48 PolarHBondContact O-N 2.93Å; I48-I51 PolarHBondContact O-N 3.02Å; I48-L52 VanDerWaalsContact O-CB 3.26Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 PolarHBondContact O-N 3.35Å
49I97.9Very high96.5Very high25 Ų2558.8 Ų58.813%0.12832%0.324CS..Hα-helixtrans-63-45.4179.5-66.9167.7000110.8L45 S46 L47 L52 L53 V119 P120 T123L45-I49 HydrophobicContact CD1-CD1 4.04Å; L45-I49 HydrophobicContact CD1-CG1 4.37Å; L45-I49 HydrophobicContact CG-CD1 3.91Å; L45-I49 VanDerWaalsContact O-CG1 3.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 2.85Å; S46-I49 PolarHBondContact O-N 3.49Å; L47-I49 PolarHBondContact O-N 3.25Å; I49-L52 PolarHBondContact O-N 2.98Å; I49-L53 HydrophobicContact CG2-CD1 3.71Å; I49-L53 HydrophobicContact CG2-CG 4.17Å; I49-L53 WeakPolarHBondContact O-CB 3.22Å; I49-L53 VanDerWaalsContact O-CG 3.3Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.39Å; I49-V119 HydrophobicContact CG2-CG1 3.98Å; I49-P120 HydrophobicContact CB-CG 4.12Å; I49-P120 HydrophobicContact CG2-CG 3.72Å; I49-T123 HydrophobicContact CD1-CG2 4.07Å
50I97.6Very high96.6Very high58 Ų5858.6 Ų58.630%0.29732%0.324SS..Hα-helixtrans-61.2-47.6178.5-70.2167.7000110.4S46 L47 L52 S54 V116 P120S46-I50 WeakPolarHBondContact O-CB 3.44Å; S46-I50 VanDerWaalsContact O-CG1 3.27Å; S46-I50 WeakPolarHBondContact O-CG1 3.31Å; S46-I50 PolarHBondContact O-N 3.34Å; L47-I50 PolarHBondContact O-N 2.87Å; I50-L52 PolarHBondContact O-N 3.4Å; I50-S54 WeakPolarHBondContact O-CB 3.27Å; I50-S54 PolarHBondContact O-N 3.07Å; I50-S54 PolarHBondContact O-OG 2.86Å; I50-V116 HydrophobicContact CG2-CG1 4.49Å; I50-P120 HydrophobicContact CD1-CG 4.24Å; I50-P120 HydrophobicContact CG1-CG 3.68Å
51I97.8Very high96.8Very high102 Ų10258.2 Ų58.252%0.52332%0.32SS..Hα-helixtrans-60.3-47.4178.4-70.5170.2000110.3L47 I48 S54 A55L47-I51 HydrophobicContact CD1-CD1 3.89Å; L47-I51 HydrophobicContact CD1-CG1 4.24Å; L47-I51 HydrophobicContact CG-CD1 3.84Å; L47-I51 WeakPolarHBondContact O-CB 3.35Å; L47-I51 VanDerWaalsContact O-CG1 3.28Å; L47-I51 WeakPolarHBondContact O-CG1 3.42Å; L47-I51 PolarHBondContact O-N 3.01Å; I48-I51 PolarHBondContact O-N 3.02Å; I51-S54 PolarHBondContact O-N 2.98Å; I51-A55 VanDerWaalsContact O-CB 3.24Å; I51-A55 WeakPolarHBondContact O-CB 3.38Å; I51-A55 PolarHBondContact O-N 3.28Å
52L97.7Very high96.8Very high101 Ų10162.8 Ų62.853%0.52934%0.344SS..Hα-helixtrans-61.4-52.8-179.1179.163.8000111.5I48 I49 I50 S54 A55 L56I48-L52 VanDerWaalsContact O-CB 3.26Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 PolarHBondContact O-N 3.35Å; I49-L52 PolarHBondContact O-N 2.98Å; I50-L52 PolarHBondContact O-N 3.4Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.94Å; L52-A55 PolarHBondContact O-N 2.92Å; L52-L56 HydrophobicContact CD1-CD1 4.5Å; L52-L56 HydrophobicContact CG-CD1 4.35Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.1Å; L52-L56 PolarHBondContact O-N 3.06Å
53L96.8Very high96.8Very high53 Ų5364 Ų6428%0.27735%0.351SS..Hα-helixtrans-64.6-36.5-179.3-65.2177.9000111.9I49 L56 N57 V116 V119I49-L53 HydrophobicContact CG2-CD1 3.71Å; I49-L53 HydrophobicContact CG2-CG 4.17Å; I49-L53 WeakPolarHBondContact O-CB 3.22Å; I49-L53 VanDerWaalsContact O-CG 3.3Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.39Å; L53-L56 PolarHBondContact O-N 3.03Å; L53-N57 PolarHBondContact O-N 3.3Å; L53-V116 HydrophobicContact CB-CG1 4.23Å; L53-V116 HydrophobicContact CB-CG2 3.98Å; L53-V116 HydrophobicContact CD1-CG2 4.49Å; L53-V119 HydrophobicContact CD1-CB 4.19Å; L53-V119 HydrophobicContact CD1-CG1 4.28Å
54S96.4Very high96.7Very high26 Ų2660.4 Ų60.418%0.18234%0.336CS..Hα-helixtrans-68.7-37.4176-560000112.2I50 I51 L52 N57 P58I50-S54 WeakPolarHBondContact O-CB 3.27Å; I50-S54 PolarHBondContact O-N 3.07Å; I50-S54 PolarHBondContact O-OG 2.86Å; I51-S54 PolarHBondContact O-N 2.98Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.94Å; S54-N57 CarbonylContact O-C 3.51Å; S54-N57 VanDerWaalsContact O-C 3.28Å; S54-P58 WeakPolarHBondContact O-CA 3.35Å; S54-P58 WeakPolarHBondContact O-CB 3.5Å
55A96.2Very high96.6Very high76 Ų7660.8 Ų60.863%0.62834%0.338SS*.Hα-helixtrans-68.7-35.4176.700000112.1I51 L52I51-A55 VanDerWaalsContact O-CB 3.24Å; I51-A55 WeakPolarHBondContact O-CB 3.38Å; I51-A55 PolarHBondContact O-N 3.28Å; L52-A55 PolarHBondContact O-N 2.92Å
56L96.2Very high96.5Very high129 Ų12964.1 Ų64.168%0.67536%0.356SS*.Hα-helixtrans-67-37.1177.1-72173.1000112.7L52 L53L52-L56 HydrophobicContact CD1-CD1 4.5Å; L52-L56 HydrophobicContact CG-CD1 4.35Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.1Å; L52-L56 PolarHBondContact O-N 3.06Å; L53-L56 PolarHBondContact O-N 3.03Å
57N94.8Very high96.2Very high71 Ų7165 Ų6538%0.3836%0.36SS..  trans-150.190.4176.1-158.4-16.8000110.7L53 S54 I59 P60L53-N57 PolarHBondContact O-N 3.3Å; S54-N57 CarbonylContact O-C 3.51Å; S54-N57 VanDerWaalsContact O-C 3.28Å; N57-I59 VanDerWaalsContact C-N 3.33Å; N57-I59 PolarHBondContact O-N 2.87Å; N57-P60 HydrophobicContact CB-CG 4.3Å; N57-P60 VanDerWaalsContact CG-CD 3.48Å; N57-P60 WeakPolarHBondContact O-CD 3.18Å; N57-P60 WeakPolarHBondContact OD1-CD 3.32Å
58P96.2Very high95.8Very high63 Ų6364.5 Ų64.541%0.40936%0.357SS..Hα-helixtrans-74.8-23.8-174.927.4-34.7000112.8S54 V61 L62S54-P58 WeakPolarHBondContact O-CA 3.35Å; S54-P58 WeakPolarHBondContact O-CB 3.5Å; P58-V61 PolarHBondContact O-N 3.41Å; P58-V61 VanDerWaalsContact O-N 3.16Å; P58-L62 WeakPolarHBondContact O-CG 3.48Å; P58-L62 PolarHBondContact O-N 3.49Å
59I96.2Very high95.6Very high82 Ų8263.1 Ų63.142%0.42136%0.355SS..Hα-helixtrans-60.6-50.6-174.9-53.4-60.5000111.9N57 V61 L62 T63N57-I59 VanDerWaalsContact C-N 3.33Å; N57-I59 PolarHBondContact O-N 2.87Å; I59-V61 VanDerWaalsContact C-N 3.28Å; I59-V61 PolarHBondContact O-N 3.23Å; I59-L62 PolarHBondContact O-N 3.43Å; I59-T63 HydrophobicContact CG2-CG2 4.18Å; I59-T63 WeakPolarHBondContact O-CB 3.4Å; I59-T63 VanDerWaalsContact O-CG2 3.31Å; I59-T63 WeakPolarHBondContact O-CG2 3.4Å; I59-T63 PolarHBondContact O-N 3.2Å; I59-T63 PolarHBondContact O-OG1 3.07Å; I59-T63 VanDerWaalsContact O-OG1 3.05Å
60P95.7Very high95.3Very high2 Ų266.3 Ų66.31%0.01337%0.371CS..Hα-helixtrans-50.3-44.8171.9-26.931000114N57 T63 G64 L112N57-P60 HydrophobicContact CB-CG 4.3Å; N57-P60 VanDerWaalsContact CG-CD 3.48Å; N57-P60 WeakPolarHBondContact O-CD 3.18Å; N57-P60 WeakPolarHBondContact OD1-CD 3.32Å; P60-T63 VanDerWaalsContact CA-OG1 3.27Å; P60-T63 WeakPolarHBondContact CA-OG1 2.99Å; P60-T63 PolarHBondContact O-N 3.15Å; P60-T63 PolarHBondContact O-OG1 3.42Å; P60-G64 PolarHBondContact O-N 3.03Å; P60-L112 HydrophobicContact CB-CB 3.99Å; P60-L112 HydrophobicContact CB-CD2 3.9Å; P60-L112 HydrophobicContact CB-CG 3.81Å; P60-L112 HydrophobicContact CG-CB 4.31Å; P60-L112 HydrophobicContact CG-CD2 3.35Å; P60-L112 HydrophobicContact CG-CG 3.87Å
61V96.4Very high94.9Very high22 Ų2267 Ų6713%0.13338%0.38CS..Hα-helixtrans-66.2-47.9-178-178.60000111P58 I59 T63 G64 L65 F113 V116P58-V61 PolarHBondContact O-N 3.41Å; P58-V61 VanDerWaalsContact O-N 3.16Å; I59-V61 VanDerWaalsContact C-N 3.28Å; I59-V61 PolarHBondContact O-N 3.23Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 PolarHBondContact O-N 3.28Å; V61-G64 PolarHBondContact O-N 3.4Å; V61-L65 HydrophobicContact CG1-CD1 4.19Å; V61-L65 WeakPolarHBondContact O-CB 3.24Å; V61-L65 WeakPolarHBondContact O-CG 3.48Å; V61-L65 PolarHBondContact O-N 3.43Å; V61-F113 HydrophobicContact CG1-CD2 4.47Å; V61-V116 HydrophobicContact CG2-CG1 4.35Å; V61-V116 HydrophobicContact CG2-CG2 4.16Å
62L96.4Very high94.6Very high108 Ų10866.6 Ų66.657%0.56538%0.378SS*.Hα-helixtrans-60.7-42.2175.1-67.7171.9000111.7P58 I59 L65 L66P58-L62 WeakPolarHBondContact O-CG 3.48Å; P58-L62 PolarHBondContact O-N 3.49Å; I59-L62 PolarHBondContact O-N 3.43Å; L62-L65 PolarHBondContact O-N 3.32Å; L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 2.93Å
63T95.5Very high94.4Very high26 Ų2666.4 Ų66.416%0.1638%0.376CS..Hα-helixtrans-65.9-40.9177.254.80000112.3I59 P60 V61 L66 V67 R109I59-T63 HydrophobicContact CG2-CG2 4.18Å; I59-T63 WeakPolarHBondContact O-CB 3.4Å; I59-T63 VanDerWaalsContact O-CG2 3.31Å; I59-T63 WeakPolarHBondContact O-CG2 3.4Å; I59-T63 PolarHBondContact O-N 3.2Å; I59-T63 PolarHBondContact O-OG1 3.07Å; I59-T63 VanDerWaalsContact O-OG1 3.05Å; P60-T63 VanDerWaalsContact CA-OG1 3.27Å; P60-T63 WeakPolarHBondContact CA-OG1 2.99Å; P60-T63 PolarHBondContact O-N 3.15Å; P60-T63 PolarHBondContact O-OG1 3.42Å; V61-T63 VanDerWaalsContact C-N 3.33Å; V61-T63 PolarHBondContact O-N 3.28Å; T63-L66 PolarHBondContact O-N 3.35Å; T63-V67 WeakPolarHBondContact O-CB 3.39Å; T63-V67 WeakPolarHBondContact O-CG2 3.21Å; T63-V67 PolarHBondContact O-N 3.2Å; T63-R109 WeakPolarHBondContact OG1-CB 3.26Å
64G94.6Very high94.1Very high2 Ų268.1 Ų68.12%0.02138%0.384CS..Hα-helixtrans-65-43.5177.100000112.1P60 V61 L66 V67 I68P60-G64 PolarHBondContact O-N 3.03Å; V61-G64 PolarHBondContact O-N 3.4Å; G64-L66 PolarHBondContact O-N 3.28Å; G64-V67 PolarHBondContact O-N 3.1Å; G64-I68 WeakPolarHBondContact O-CG1 3.44Å; G64-I68 PolarHBondContact O-N 2.54Å; G64-I68 VanDerWaalsContact O-N 3.07Å
65L95.1Very high93.8Very high84 Ų8471.9 Ų71.944%0.4440%0.402SS..Hα-helixtrans-60.4-44173.3-72.7172.5000111.7V61 L62 I68 C69 F113V61-L65 HydrophobicContact CG1-CD1 4.19Å; V61-L65 WeakPolarHBondContact O-CB 3.24Å; V61-L65 WeakPolarHBondContact O-CG 3.48Å; V61-L65 PolarHBondContact O-N 3.43Å; L62-L65 PolarHBondContact O-N 3.32Å; L65-I68 PolarHBondContact O-N 2.93Å; L65-C69 WeakPolarHBondContact O-CB 3.09Å; L65-C69 PolarHBondContact O-N 3.18Å; L65-C69 PolarHBondContact O-SG 2.96Å; L65-C69 VanDerWaalsContact O-SG 3.33Å; L65-F113 HydrophobicContact CD2-CE2 4.48Å; L65-F113 HydrophobicContact CG-CE2 4.37Å
66L94.6Very high93.6Very high104 Ų10474.1 Ų74.155%0.54540%0.403SS..Hα-helixtrans-62-45.6176.7-170.6158.9000111.1L62 T63 G64 I68 L70L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 2.93Å; T63-L66 PolarHBondContact O-N 3.35Å; G64-L66 PolarHBondContact O-N 3.28Å; L66-I68 PolarHBondContact O-N 3.23Å; L66-L70 HydrophobicContact CD2-CB 4.24Å; L66-L70 HydrophobicContact CD2-CD2 3.87Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 PolarHBondContact O-N 3.33Å
67V91.4Very high93.4Very high43 Ų4375.7 Ų75.726%0.26140%0.404SS..Hα-helixtrans-61.6-30.5179.5168.70000112.4T63 G64 P71 L103 I110T63-V67 WeakPolarHBondContact O-CB 3.39Å; T63-V67 WeakPolarHBondContact O-CG2 3.21Å; T63-V67 PolarHBondContact O-N 3.2Å; G64-V67 PolarHBondContact O-N 3.1Å; V67-P71 WeakPolarHBondContact O-CD 3.45Å; V67-P71 WeakPolarHBondContact O-CG 3.49Å; V67-L103 HydrophobicContact CG1-CD2 3.81Å; V67-I110 HydrophobicContact CG1-CD1 4.27Å; V67-I110 HydrophobicContact CG2-CD1 4.3Å; V67-I110 HydrophobicContact CG2-CG1 4.41Å
68I90.4Very high93.2Very high85 Ų8574.8 Ų74.844%0.43640%0.399SS..Hα-helixtrans-88.8-49.9178.3-65.5171.3000111.6G64 L65 L66 L72 F113G64-I68 WeakPolarHBondContact O-CG1 3.44Å; G64-I68 PolarHBondContact O-N 2.54Å; G64-I68 VanDerWaalsContact O-N 3.07Å; L65-I68 PolarHBondContact O-N 2.93Å; L66-I68 PolarHBondContact O-N 3.23Å; I68-L72 WeakPolarHBondContact O-CB 3.43Å; I68-L72 PolarHBondContact O-N 3.35Å; I68-F113 HydrophobicContact CD1-CD1 4.49Å; I68-F113 HydrophobicContact CD1-CE1 3.47Å; I68-F113 VanDerWaalsContact CD1-CE1 3.47Å; I68-F113 HydrophobicContact CD1-CZ 3.9Å
69C93.8Very high92.9Very high63 Ų6375.7 Ų75.743%0.42640%0.401SS..Hα-helixtrans-73.4-38.1-172.7-65.30000112.3L65 L72 M73L65-C69 WeakPolarHBondContact O-CB 3.09Å; L65-C69 PolarHBondContact O-N 3.18Å; L65-C69 PolarHBondContact O-SG 2.96Å; L65-C69 VanDerWaalsContact O-SG 3.33Å; C69-L72 PolarHBondContact O-N 3.33Å; C69-M73 WeakPolarHBondContact O-CB 3.19Å; C69-M73 WeakPolarHBondContact O-CG 3.21Å; C69-M73 PolarHBondContact O-N 2.93Å
70L92.1Very high92.5Very high92 Ų9276.9 Ų76.948%0.48241%0.412SS..Hα-helixtrans-64.6-49.7-176.1179.769.1000112.3L66 L72 M73 I74L66-L70 HydrophobicContact CD2-CB 4.24Å; L66-L70 HydrophobicContact CD2-CD2 3.87Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 PolarHBondContact O-N 3.33Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 2.8Å; L70-M73 PolarHBondContact O-N 3.29Å; L70-I74 HydrophobicContact CD1-CD1 4.17Å; L70-I74 HydrophobicContact CD1-CG1 4.43Å; L70-I74 HydrophobicContact CG-CD1 3.96Å; L70-I74 VanDerWaalsContact O-CG1 3.3Å; L70-I74 WeakPolarHBondContact O-CG1 3.37Å; L70-I74 PolarHBondContact O-N 3.08Å
71P89.5Confident92.2Very high73 Ų7380.7 Ų80.747%0.47444%0.435SS..Hα-helixtrans-63.2-37.7176.4-2335.8000112.8V67 I74 L75V67-P71 WeakPolarHBondContact O-CD 3.45Å; V67-P71 WeakPolarHBondContact O-CG 3.49Å; P71-I74 PolarHBondContact O-N 3.23Å; P71-L75 WeakPolarHBondContact O-CB 3.21Å; P71-L75 PolarHBondContact O-N 2.93Å
72L91.7Very high91.8Very high93 Ų9382.3 Ų82.349%0.48745%0.445SS..Hα-helixtrans-62.4-46175.7179.461.9000111.2I68 C69 L70 L75 L76I68-L72 WeakPolarHBondContact O-CB 3.43Å; I68-L72 PolarHBondContact O-N 3.35Å; C69-L72 PolarHBondContact O-N 3.33Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 2.8Å; L72-L75 PolarHBondContact O-N 2.91Å; L72-L76 HydrophobicContact CD1-CD1 4.26Å; L72-L76 HydrophobicContact CD1-CG 4.33Å; L72-L76 HydrophobicContact CG-CD1 4.07Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 3.41Å
73M93.5Very high91.3Very high98 Ų9879.7 Ų79.748%0.48343%0.432SS..Hα-helixtrans-61.7-47.4176.8-72.3-68.7-81.300110.9C69 L70 L75 L76 F77C69-M73 WeakPolarHBondContact O-CB 3.19Å; C69-M73 WeakPolarHBondContact O-CG 3.21Å; C69-M73 PolarHBondContact O-N 2.93Å; L70-M73 PolarHBondContact O-N 3.29Å; M73-L75 VanDerWaalsContact C-N 3.31Å; M73-L75 PolarHBondContact O-N 3.42Å; M73-L76 PolarHBondContact O-N 3.49Å; M73-L76 VanDerWaalsContact O-N 3.13Å; M73-F77 HydrophobicContact CE-CD2 4.44Å; M73-F77 HydrophobicContact CE-CE2 3.54Å; M73-F77 HydrophobicContact CE-CZ 4.35Å; M73-F77 WeakPolarHBondContact O-CD2 3.45Å; M73-F77 PolarHBondContact O-N 2.84Å; M73-F77 VanDerWaalsContact O-N 3.08Å; M73-F77 HydrophobicContact SD-CE2 4.14Å
74I90.6Very high90.9Very high88 Ų8883.7 Ų83.745%0.45145%0.452SS..Hα-helixtrans-54.5-49175.3-68.4165.6000110.2L70 P71 L76 F77 L78L70-I74 HydrophobicContact CD1-CD1 4.17Å; L70-I74 HydrophobicContact CD1-CG1 4.43Å; L70-I74 HydrophobicContact CG-CD1 3.96Å; L70-I74 VanDerWaalsContact O-CG1 3.3Å; L70-I74 WeakPolarHBondContact O-CG1 3.37Å; L70-I74 PolarHBondContact O-N 3.08Å; P71-I74 PolarHBondContact O-N 3.23Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 2.89Å; I74-F77 PolarHBondContact O-N 3.36Å; I74-L78 HydrophobicContact CG2-CD1 3.62Å; I74-L78 HydrophobicContact CG2-CG 4.11Å; I74-L78 WeakPolarHBondContact O-CG 3.44Å; I74-L78 PolarHBondContact O-N 2.65Å; I74-L78 VanDerWaalsContact O-N 3.1Å
75L88.2Confident90.6Very high105 Ų10586.8 Ų86.855%0.5547%0.47SS..Hα-helixtrans-60.6-37.5179.2-177.762.6000113.1P71 L72 M73 F77 L83P71-L75 WeakPolarHBondContact O-CB 3.21Å; P71-L75 PolarHBondContact O-N 2.93Å; L72-L75 PolarHBondContact O-N 2.91Å; M73-L75 VanDerWaalsContact C-N 3.31Å; M73-L75 PolarHBondContact O-N 3.42Å; L75-F77 VanDerWaalsContact C-N 3.35Å; L75-L83 HydrophobicContact CD1-CD2 4.19Å
76L91.9Very high90.1Very high123 Ų12385.1 Ų85.164%0.64446%0.462SS*.Hα-helixtrans-72.7-25179.6-69.4172.3000113.5L72 M73 I74L72-L76 HydrophobicContact CD1-CD1 4.26Å; L72-L76 HydrophobicContact CD1-CG 4.33Å; L72-L76 HydrophobicContact CG-CD1 4.07Å; L72-L76 VanDerWaalsContact O-CG 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 3.41Å; M73-L76 PolarHBondContact O-N 3.49Å; M73-L76 VanDerWaalsContact O-N 3.13Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 2.89Å
77F92.5Very high89.7Confident163 Ų16385.2 Ų85.272%0.71546%0.462SS*.Hα-helixtrans-98.6-10.1-179.3-77-71.9000114.4M73 I74 L75M73-F77 HydrophobicContact CE-CD2 4.44Å; M73-F77 HydrophobicContact CE-CE2 3.54Å; M73-F77 HydrophobicContact CE-CZ 4.35Å; M73-F77 WeakPolarHBondContact O-CD2 3.45Å; M73-F77 PolarHBondContact O-N 2.84Å; M73-F77 VanDerWaalsContact O-N 3.08Å; M73-F77 HydrophobicContact SD-CE2 4.14Å; I74-F77 PolarHBondContact O-N 3.36Å; L75-F77 VanDerWaalsContact C-N 3.35Å
78L90.5Very high89.6Confident51 Ų5188 Ų8827%0.26747%0.472SS..  trans-78.1133.6177.1-74.1171.1000111.1I74 T82 L83 I86I74-L78 HydrophobicContact CG2-CD1 3.62Å; I74-L78 HydrophobicContact CG2-CG 4.11Å; I74-L78 WeakPolarHBondContact O-CG 3.44Å; I74-L78 PolarHBondContact O-N 2.65Å; I74-L78 VanDerWaalsContact O-N 3.1Å; L78-T82 HydrophobicContact CD2-CG2 3.51Å; L78-L83 HydrophobicContact CB-CD2 3.97Å; L78-L83 HydrophobicContact CB-CG 4.07Å; L78-L83 HydrophobicContact CD1-CD2 3.86Å; L78-I86 HydrophobicContact CD1-CD1 3.83Å; L78-I86 HydrophobicContact CD2-CD1 4.27Å
79D90.1Very high89.6Confident83 Ų8388.4 Ų88.444%0.44448%0.481SS..  trans-80.7165.1170.565.80.6000111.6T81 T82 L83D79-T81 VanDerWaalsContact C-N 3.25Å; D79-T81 PolarHBondContact O-N 2.89Å; D79-T81 PolarHBondContact OD1-OG1 3.22Å; D79-T81 VanDerWaalsContact OD1-OG1 3.06Å; D79-T81 PolarHBondContact OD2-OG1 3.3Å; D79-T82 PolarHBondContact O-N 2.84Å; D79-T82 WeakPolarHBondContact OD1-CA 3.19Å; D79-T82 WeakPolarHBondContact OD1-CB 3.15Å; D79-T82 PolarHBondContact OD1-N 3.25Å; D79-T82 PolarHBondContact OD1-OG1 3.48Å; D79-L83 WeakPolarHBondContact O-CG 3.16Å; D79-L83 PolarHBondContact O-N 3.13Å
80T88.3Confident89.4Confident107 Ų10794 Ų9466%0.65650%0.498SS*.Hα-helixtrans-64-30.6-176.454.70000112.8N84T80-N84 WeakPolarHBondContact O-CB 3.3Å; T80-N84 PolarHBondContact O-N 2.73Å; T80-N84 PolarHBondContact O-ND2 2.89Å
81T89.8Confident89.3Confident82 Ų8292.9 Ų92.950%0.50349%0.492SS..Hα-helixtrans-70.8-41.7177.252.90000111.5D79 N84 T85D79-T81 VanDerWaalsContact C-N 3.25Å; D79-T81 PolarHBondContact O-N 2.89Å; D79-T81 PolarHBondContact OD1-OG1 3.22Å; D79-T81 VanDerWaalsContact OD1-OG1 3.06Å; D79-T81 PolarHBondContact OD2-OG1 3.3Å; T81-N84 PolarHBondContact O-N 3.43Å; T81-T85 PolarHBondContact O-N 2.93Å; T81-T85 PolarHBondContact O-OG1 3.37Å
82T87.9Confident89.4Confident55 Ų5592.5 Ų92.534%0.33749%0.485SS..Hα-helixtrans-68.6-39.5174.6-54.40000110.9L78 D79 N84 T85 I86L78-T82 HydrophobicContact CD2-CG2 3.51Å; D79-T82 PolarHBondContact O-N 2.84Å; D79-T82 WeakPolarHBondContact OD1-CA 3.19Å; D79-T82 WeakPolarHBondContact OD1-CB 3.15Å; D79-T82 PolarHBondContact OD1-N 3.25Å; D79-T82 PolarHBondContact OD1-OG1 3.48Å; T82-N84 VanDerWaalsContact C-N 3.31Å; T82-N84 PolarHBondContact O-N 3.46Å; T82-T85 WeakPolarHBondContact O-CB 3.34Å; T82-T85 PolarHBondContact O-N 3.13Å; T82-T85 VanDerWaalsContact O-N 3.07Å; T82-I86 HydrophobicContact CG2-CD1 4.02Å; T82-I86 HydrophobicContact CG2-CG1 4.4Å; T82-I86 WeakPolarHBondContact O-CG1 3.42Å; T82-I86 PolarHBondContact O-N 2.97Å
83L85Confident89.4Confident54 Ų5491.9 Ų91.928%0.28349%0.485SS..Hα-helixtrans-58.5-42.9173.1-70.5174.1000111.8L75 L78 D79 T85 I86 N87L75-L83 HydrophobicContact CD1-CD2 4.19Å; L78-L83 HydrophobicContact CB-CD2 3.97Å; L78-L83 HydrophobicContact CB-CG 4.07Å; L78-L83 HydrophobicContact CD1-CD2 3.86Å; D79-L83 WeakPolarHBondContact O-CG 3.16Å; D79-L83 PolarHBondContact O-N 3.13Å; L83-T85 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 2.98Å; L83-I86 PolarHBondContact O-N 3.48Å; L83-N87 WeakPolarHBondContact O-CB 3.16Å; L83-N87 VanDerWaalsContact O-CG 3.28Å; L83-N87 PolarHBondContact O-N 3.29Å
84N86.7Confident89.4Confident110 Ų11090.5 Ų90.559%0.58848%0.483SS*.Hα-helixtrans-64.2-33.3175.1-72.5-22.8000112.8T80 T81 T82T80-N84 WeakPolarHBondContact O-CB 3.3Å; T80-N84 PolarHBondContact O-N 2.73Å; T80-N84 PolarHBondContact O-ND2 2.89Å; T81-N84 PolarHBondContact O-N 3.43Å; T82-N84 VanDerWaalsContact C-N 3.31Å; T82-N84 PolarHBondContact O-N 3.46Å
85T88.5Confident89.5Confident66 Ų6689.4 Ų89.441%0.40548%0.481SS..Hα-helixtrans-70-45.1175.7-55.70000111.2T81 T82 L83 N87 Q88 I91T81-T85 PolarHBondContact O-N 2.93Å; T81-T85 PolarHBondContact O-OG1 3.37Å; T82-T85 WeakPolarHBondContact O-CB 3.34Å; T82-T85 PolarHBondContact O-N 3.13Å; T82-T85 VanDerWaalsContact O-N 3.07Å; L83-T85 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 2.98Å; T85-N87 PolarHBondContact O-N 2.93Å; T85-Q88 VanDerWaalsContact O-CB 3.27Å; T85-Q88 WeakPolarHBondContact O-CB 3.26Å; T85-Q88 VanDerWaalsContact O-CG 3.29Å; T85-Q88 WeakPolarHBondContact O-CG 3.46Å; T85-Q88 PolarHBondContact O-N 3.36Å; T85-I91 HydrophobicContact CG2-CD1 3.99Å
86I86.3Confident89.6Confident50 Ų5087.5 Ų87.526%0.25648%0.475SS..Hα-helixtrans-63.1-33.3176.8-68167.6000111L78 T82 L83 Q88 L92L78-I86 HydrophobicContact CD1-CD1 3.83Å; L78-I86 HydrophobicContact CD2-CD1 4.27Å; T82-I86 HydrophobicContact CG2-CD1 4.02Å; T82-I86 HydrophobicContact CG2-CG1 4.4Å; T82-I86 WeakPolarHBondContact O-CG1 3.42Å; T82-I86 PolarHBondContact O-N 2.97Å; L83-I86 PolarHBondContact O-N 3.48Å; I86-Q88 PolarHBondContact O-N 3.42Å; I86-L92 HydrophobicContact CG2-CD1 4.32Å; I86-L92 WeakPolarHBondContact O-CB 3.18Å
87N85.2Confident89.8Confident105 Ų10586 Ų8656%0.56147%0.467SS*.THydrogen-bonded Turntrans-64.4-6.3174.9-76.9-15.2000114.1L83 T85L83-N87 WeakPolarHBondContact O-CB 3.16Å; L83-N87 VanDerWaalsContact O-CG 3.28Å; L83-N87 PolarHBondContact O-N 3.29Å; T85-N87 PolarHBondContact O-N 2.93Å
88Q89.9Confident89.8Confident101 Ų10182 Ų8247%0.47246%0.456SS..SBendtrans-68.9128.8170.7-65.4-174.3-300110.5T85 I86 K90 I91 L92T85-Q88 VanDerWaalsContact O-CB 3.27Å; T85-Q88 WeakPolarHBondContact O-CB 3.26Å; T85-Q88 VanDerWaalsContact O-CG 3.29Å; T85-Q88 WeakPolarHBondContact O-CG 3.46Å; T85-Q88 PolarHBondContact O-N 3.36Å; I86-Q88 PolarHBondContact O-N 3.42Å; Q88-K90 PolarHBondContact O-N 3.32Å; Q88-I91 PolarHBondContact O-N 2.93Å; Q88-L92 PolarHBondContact O-N 2.93Å
89P88.8Confident89.9Confident94 Ų9483.8 Ų83.861%0.6147%0.465SS*.Hα-helixtrans-59.8-29.5-17422.3-33.6000113.4I91 V93P89-I91 PolarHBondContact O-N 3.49Å; P89-V93 WeakPolarHBondContact O-CB 3.5Å; P89-V93 WeakPolarHBondContact O-CG2 3.03Å; P89-V93 PolarHBondContact O-N 2.91Å; P89-V93 VanDerWaalsContact O-N 3.16Å
90K91.2Very high90.1Very high182 Ų18282 Ų8279%0.79146%0.462SS*.Hα-helixtrans-64.3-25.7177.1-63.8179.9-178.31780113.3Q88 P94Q88-K90 PolarHBondContact O-N 3.32Å; K90-P94 WeakPolarHBondContact O-CD 3.36Å; K90-P94 WeakPolarHBondContact O-CG 3.48Å
91I90.3Very high90.4Very high67 Ų6782.9 Ų82.934%0.34446%0.46SS..Hα-helixtrans-101.2-46.1178.3-62.3173.8000109.7T85 Q88 P89 V93 P94 V95T85-I91 HydrophobicContact CG2-CD1 3.99Å; Q88-I91 PolarHBondContact O-N 2.93Å; P89-I91 PolarHBondContact O-N 3.49Å; I91-V93 PolarHBondContact O-N 2.91Å; I91-P94 WeakPolarHBondContact O-CD 3.26Å; I91-V95 HydrophobicContact CG2-CG2 4.21Å; I91-V95 VanDerWaalsContact O-CG2 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.35Å; I91-V95 PolarHBondContact O-N 2.81Å
92L90.1Very high90.5Very high65 Ų6583.3 Ų83.334%0.3446%0.459SS..Hα-helixtrans-56.6-48.3-176.7-172.158.9000112.4I86 Q88 V95 C96I86-L92 HydrophobicContact CG2-CD1 4.32Å; I86-L92 WeakPolarHBondContact O-CB 3.18Å; Q88-L92 PolarHBondContact O-N 2.93Å; L92-V95 PolarHBondContact O-N 3.35Å; L92-C96 WeakPolarHBondContact O-CB 3.27Å; L92-C96 PolarHBondContact O-N 3.08Å; L92-C96 PolarHBondContact O-SG 3.48Å
93V92.9Very high90.7Very high80 Ų8084.2 Ų84.249%0.48546%0.461SS..Hα-helixtrans-63.8-51.8-174.1172.90000111.9P89 I91 V95 C96 I97P89-V93 WeakPolarHBondContact O-CB 3.5Å; P89-V93 WeakPolarHBondContact O-CG2 3.03Å; P89-V93 PolarHBondContact O-N 2.91Å; P89-V93 VanDerWaalsContact O-N 3.16Å; I91-V93 PolarHBondContact O-N 2.91Å; V93-V95 VanDerWaalsContact C-N 3.33Å; V93-V95 PolarHBondContact O-N 3.45Å; V93-C96 PolarHBondContact O-N 3.3Å; V93-I97 HydrophobicContact CG1-CD1 3.9Å; V93-I97 WeakPolarHBondContact O-CG1 3.49Å; V93-I97 PolarHBondContact O-N 3.44Å
94P93.6Very high91.2Very high69 Ų6987.5 Ų87.545%0.44848%0.477SS..Hα-helixtrans-57.1-41.9174.1-2734.5000113.8K90 I91 I97 V98K90-P94 WeakPolarHBondContact O-CD 3.36Å; K90-P94 WeakPolarHBondContact O-CG 3.48Å; I91-P94 WeakPolarHBondContact O-CD 3.26Å; P94-I97 PolarHBondContact O-N 3.48Å; P94-V98 WeakPolarHBondContact O-CG2 3.33Å; P94-V98 PolarHBondContact O-N 3.28Å
95V91.3Very high91.6Very high65 Ų6591.6 Ų91.639%0.39449%0.485SS..Hα-helixtrans-62.1-46.3178.4170.80000110.8I91 L92 V93 I97 V98 I99I91-V95 HydrophobicContact CG2-CG2 4.21Å; I91-V95 VanDerWaalsContact O-CG2 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.35Å; I91-V95 PolarHBondContact O-N 2.81Å; L92-V95 PolarHBondContact O-N 3.35Å; V93-V95 VanDerWaalsContact C-N 3.33Å; V93-V95 PolarHBondContact O-N 3.45Å; V95-I97 VanDerWaalsContact C-N 3.34Å; V95-I97 PolarHBondContact O-N 3.36Å; V95-V98 PolarHBondContact O-N 2.96Å; V95-I99 HydrophobicContact CG1-CD1 3.78Å; V95-I99 HydrophobicContact CG1-CG1 4.48Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.3Å; V95-I99 PolarHBondContact O-N 2.9Å
96C91.9Very high91.9Very high65 Ų6592.2 Ų92.244%0.43948%0.482SS..Hα-helixtrans-60.9-40.4176.1-71.70000112.4L92 V93 I99 A100L92-C96 WeakPolarHBondContact O-CB 3.27Å; L92-C96 PolarHBondContact O-N 3.08Å; L92-C96 PolarHBondContact O-SG 3.48Å; V93-C96 PolarHBondContact O-N 3.3Å; C96-I99 PolarHBondContact O-N 2.88Å; C96-A100 WeakPolarHBondContact O-CB 3.29Å; C96-A100 PolarHBondContact O-N 2.97Å
97I95.1Very high92.3Very high92 Ų9293.8 Ų93.847%0.47249%0.49SS..Hα-helixtrans-62.5-47176.7-68.3166.7000110.6V93 P94 V95 I99 A100 M101V93-I97 HydrophobicContact CG1-CD1 3.9Å; V93-I97 WeakPolarHBondContact O-CG1 3.49Å; V93-I97 PolarHBondContact O-N 3.44Å; P94-I97 PolarHBondContact O-N 3.48Å; V95-I97 VanDerWaalsContact C-N 3.34Å; V95-I97 PolarHBondContact O-N 3.36Å; I97-I99 PolarHBondContact O-N 3.46Å; I97-A100 PolarHBondContact O-N 2.84Å; I97-M101 HydrophobicContact CG2-CG 4.4Å; I97-M101 HydrophobicContact CG2-SD 3.97Å; I97-M101 WeakPolarHBondContact O-CB 3.28Å; I97-M101 VanDerWaalsContact O-CG 3.29Å; I97-M101 WeakPolarHBondContact O-CG 3.22Å; I97-M101 PolarHBondContact O-N 2.68Å
98V93.1Very high92.7Very high80 Ų8093.1 Ų93.149%0.48549%0.493SS..Hα-helixtrans-61.5-45.3178.4173.10000110.9P94 V95 A100 M101 L102P94-V98 WeakPolarHBondContact O-CG2 3.33Å; P94-V98 PolarHBondContact O-N 3.28Å; V95-V98 PolarHBondContact O-N 2.96Å; V98-A100 PolarHBondContact O-N 2.84Å; V98-M101 PolarHBondContact O-N 2.96Å; V98-L102 HydrophobicContact CG1-CD1 4.13Å; V98-L102 HydrophobicContact CG1-CG 4.46Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.26Å; V98-L102 PolarHBondContact O-N 2.9Å
99I92.2Very high93Very high88 Ų8893.3 Ų93.345%0.45149%0.49SS..Hα-helixtrans-60.2-46.7176.2-67.6168.4000110.6V95 C96 I97 M101 L102 L103V95-I99 HydrophobicContact CG1-CD1 3.78Å; V95-I99 HydrophobicContact CG1-CG1 4.48Å; V95-I99 VanDerWaalsContact O-CG1 3.31Å; V95-I99 WeakPolarHBondContact O-CG1 3.3Å; V95-I99 PolarHBondContact O-N 2.9Å; C96-I99 PolarHBondContact O-N 2.88Å; I97-I99 PolarHBondContact O-N 3.46Å; I99-M101 VanDerWaalsContact C-N 3.34Å; I99-M101 PolarHBondContact O-N 3.42Å; I99-L102 PolarHBondContact O-N 3.4Å; I99-L103 HydrophobicContact CG2-CD1 4.06Å; I99-L103 HydrophobicContact CG2-CG 4.32Å; I99-L103 WeakPolarHBondContact O-CG 3.23Å; I99-L103 PolarHBondContact O-N 2.84Å
100A93.9Very high93.3Very high45 Ų4589.8 Ų89.837%0.37247%0.466SS..Hα-helixtrans-60.6-43178.300000111.9C96 I97 V98 L102 L103 I104C96-A100 WeakPolarHBondContact O-CB 3.29Å; C96-A100 PolarHBondContact O-N 2.97Å; I97-A100 PolarHBondContact O-N 2.84Å; V98-A100 PolarHBondContact O-N 2.84Å; A100-L102 VanDerWaalsContact C-N 3.35Å; A100-L102 PolarHBondContact O-N 3.23Å; A100-L103 PolarHBondContact O-N 3.32Å; A100-I104 VanDerWaalsContact O-CG1 3.28Å; A100-I104 WeakPolarHBondContact O-CG1 3.46Å; A100-I104 PolarHBondContact O-N 2.84Å
101M94.4Very high93.5Very high125 Ų12585.7 Ų85.762%0.61645%0.451SS*.Hα-helixtrans-62.5-40.1175.3-71.8177.369.200112.3I97 V98 I99 R105I97-M101 HydrophobicContact CG2-CG 4.4Å; I97-M101 HydrophobicContact CG2-SD 3.97Å; I97-M101 WeakPolarHBondContact O-CB 3.28Å; I97-M101 VanDerWaalsContact O-CG 3.29Å; I97-M101 WeakPolarHBondContact O-CG 3.22Å; I97-M101 PolarHBondContact O-N 2.68Å; V98-M101 PolarHBondContact O-N 2.96Å; I99-M101 VanDerWaalsContact C-N 3.34Å; I99-M101 PolarHBondContact O-N 3.42Å; M101-R105 VanDerWaalsContact O-CB 3.32Å; M101-R105 WeakPolarHBondContact O-CB 3.27Å; M101-R105 PolarHBondContact O-N 3.47Å
102L92.1Very high93.7Very high92 Ų9285.7 Ų85.748%0.48245%0.452SS..Hα-helixtrans-65.4-43.4175-69.7173.8000111.5V98 I99 A100 R105 F106V98-L102 HydrophobicContact CG1-CD1 4.13Å; V98-L102 HydrophobicContact CG1-CG 4.46Å; V98-L102 VanDerWaalsContact O-CG 3.29Å; V98-L102 WeakPolarHBondContact O-CG 3.26Å; V98-L102 PolarHBondContact O-N 2.9Å; I99-L102 PolarHBondContact O-N 3.4Å; A100-L102 VanDerWaalsContact C-N 3.35Å; A100-L102 PolarHBondContact O-N 3.23Å; L102-R105 WeakPolarHBondContact O-CB 3.4Å; L102-R105 PolarHBondContact O-N 3.5Å; L102-F106 HydrophobicContact CD2-CE2 4.33Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.43Å
103L93.4Very high94.1Very high74 Ų7483.2 Ų83.239%0.38744%0.438SS..Hα-helixtrans-62-44.1176.6-70175.9000111.7V67 I99 A100 R105 F106 I107 I110V67-L103 HydrophobicContact CG1-CD2 3.81Å; I99-L103 HydrophobicContact CG2-CD1 4.06Å; I99-L103 HydrophobicContact CG2-CG 4.32Å; I99-L103 WeakPolarHBondContact O-CG 3.23Å; I99-L103 PolarHBondContact O-N 2.84Å; A100-L103 PolarHBondContact O-N 3.32Å; L103-R105 VanDerWaalsContact C-N 3.34Å; L103-R105 PolarHBondContact O-N 3.44Å; L103-F106 CarbonylContact O-C 3.51Å; L103-F106 PolarHBondContact O-N 3.35Å; L103-I107 WeakPolarHBondContact O-CA 3.41Å; L103-I107 PolarHBondContact O-N 2.79Å; L103-I110 HydrophobicContact CD2-CD1 3.77Å
104I95Very high94.2Very high122 Ų12285 Ų8563%0.62644%0.44SS*.Hα-helixtrans-61.9-43.9175-68164.8000110.3A100 F106 I107A100-I104 VanDerWaalsContact O-CG1 3.28Å; A100-I104 WeakPolarHBondContact O-CG1 3.46Å; A100-I104 PolarHBondContact O-N 2.84Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 2.84Å; I104-I107 WeakPolarHBondContact O-CB 3.18Å; I104-I107 WeakPolarHBondContact O-CG2 3.43Å; I104-I107 PolarHBondContact O-N 2.92Å
105R94.1Very high94.3Very high197 Ų19784.3 Ų84.374%0.74344%0.436SS*.Hα-helixtrans-60.2-36.4178.5178.36369.881.91.9112.5M101 L102 L103M101-R105 VanDerWaalsContact O-CB 3.32Å; M101-R105 WeakPolarHBondContact O-CB 3.27Å; M101-R105 PolarHBondContact O-N 3.47Å; L102-R105 WeakPolarHBondContact O-CB 3.4Å; L102-R105 PolarHBondContact O-N 3.5Å; L103-R105 VanDerWaalsContact C-N 3.34Å; L103-R105 PolarHBondContact O-N 3.44Å
106F94.6Very high94.5Very high78 Ų7881.5 Ų81.534%0.34242%0.419SS..THydrogen-bonded Turntrans-100.810.6-178.1-65.1-63000114L102 L103 I104 S108 R109 I110L102-F106 HydrophobicContact CD2-CE2 4.33Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 PolarHBondContact O-N 3.43Å; L103-F106 CarbonylContact O-C 3.51Å; L103-F106 PolarHBondContact O-N 3.35Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 2.84Å; F106-S108 PolarHBondContact O-N 3.09Å; F106-R109 WeakPolarHBondContact O-CA 3.2Å; F106-R109 WeakPolarHBondContact O-CB 3.16Å; F106-R109 PolarHBondContact O-N 2.96Å; F106-I110 HydrophobicContact CB-CD1 4.29Å; F106-I110 HydrophobicContact CB-CG1 4.47Å; F106-I110 WeakPolarHBondContact O-CG1 3.39Å; F106-I110 PolarHBondContact O-N 2.83Å
107I94.8Very high94.7Very high83 Ų8382.1 Ų82.143%0.42642%0.418SS..Hα-helixtrans-56-45.2-169.7-168.658.5000113.1L103 I104 R109 I110 I111L103-I107 WeakPolarHBondContact O-CA 3.41Å; L103-I107 PolarHBondContact O-N 2.79Å; I104-I107 WeakPolarHBondContact O-CB 3.18Å; I104-I107 WeakPolarHBondContact O-CG2 3.43Å; I104-I107 PolarHBondContact O-N 2.92Å; I107-R109 PolarHBondContact O-N 2.97Å; I107-I110 PolarHBondContact O-N 2.89Å; I107-I111 HydrophobicContact CG1-CD1 4.04Å; I107-I111 HydrophobicContact CG1-CG1 4.49Å; I107-I111 WeakPolarHBondContact O-CG1 3.47Å; I107-I111 PolarHBondContact O-N 2.94Å
108S95.1Very high94.8Very high91 Ų9182.2 Ų82.264%0.63642%0.418SS*.Hα-helixtrans-61.9-34.5179.4-50.50000112.2F106 L112F106-S108 PolarHBondContact O-N 3.09Å; S108-L112 WeakPolarHBondContact O-CB 3.21Å; S108-L112 PolarHBondContact O-N 2.83Å; S108-L112 VanDerWaalsContact O-N 3.13Å
109R95.7Very high95Very high105 Ų10581.2 Ų81.240%0.39641%0.413SS..Hα-helixtrans-75.1-38.7178.4-58-174.1-170.3-88.90.9111.3T63 F106 I107 L112 F113T63-R109 WeakPolarHBondContact OG1-CB 3.26Å; F106-R109 WeakPolarHBondContact O-CA 3.2Å; F106-R109 WeakPolarHBondContact O-CB 3.16Å; F106-R109 PolarHBondContact O-N 2.96Å; I107-R109 PolarHBondContact O-N 2.97Å; R109-L112 PolarHBondContact O-N 3.14Å; R109-F113 PolarHBondContact O-N 3.47Å
110I94.6Very high95.3Very high21 Ų2177.2 Ų77.211%0.10839%0.392CS..Hα-helixtrans-62.9-45.3174.6-65.7168.7000110.3V67 L103 F106 I107 L112 F113 F114V67-I110 HydrophobicContact CG1-CD1 4.27Å; V67-I110 HydrophobicContact CG2-CD1 4.3Å; V67-I110 HydrophobicContact CG2-CG1 4.41Å; L103-I110 HydrophobicContact CD2-CD1 3.77Å; F106-I110 HydrophobicContact CB-CD1 4.29Å; F106-I110 HydrophobicContact CB-CG1 4.47Å; F106-I110 WeakPolarHBondContact O-CG1 3.39Å; F106-I110 PolarHBondContact O-N 2.83Å; I107-I110 PolarHBondContact O-N 2.89Å; I110-L112 VanDerWaalsContact C-N 3.33Å; I110-L112 PolarHBondContact O-N 2.94Å; I110-F113 WeakPolarHBondContact O-CB 3.21Å; I110-F113 PolarHBondContact O-N 3.07Å; I110-F114 HydrophobicContact CG2-CD2 3.81Å; I110-F114 HydrophobicContact CG2-CE2 3.54Å; I110-F114 WeakPolarHBondContact O-CD2 3.3Å; I110-F114 PolarHBondContact O-N 3.49Å
111I95.3Very high95.4Very high95 Ų9578.9 Ų78.949%0.48740%0.398SS..Hα-helixtrans-57.3-48.4175-68.8166.1000110.2I107 F113 F114 C115I107-I111 HydrophobicContact CG1-CD1 4.04Å; I107-I111 HydrophobicContact CG1-CG1 4.49Å; I107-I111 WeakPolarHBondContact O-CG1 3.47Å; I107-I111 PolarHBondContact O-N 2.94Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 2.94Å; I111-F114 PolarHBondContact O-N 3.03Å; I111-F114 VanDerWaalsContact O-N 3.15Å; I111-C115 PolarHBondContact O-N 3.44Å; I111-C115 PolarHBondContact O-SG 3.25Å
112L95.6Very high95.6Very high68 Ų6877.1 Ų77.136%0.35639%0.39SS..Hα-helixtrans-64.2-36.7180-177.952.5000112.3P60 S108 R109 I110 C115 V116P60-L112 HydrophobicContact CB-CB 3.99Å; P60-L112 HydrophobicContact CB-CD2 3.9Å; P60-L112 HydrophobicContact CB-CG 3.81Å; P60-L112 HydrophobicContact CG-CB 4.31Å; P60-L112 HydrophobicContact CG-CD2 3.35Å; P60-L112 HydrophobicContact CG-CG 3.87Å; S108-L112 WeakPolarHBondContact O-CB 3.21Å; S108-L112 PolarHBondContact O-N 2.83Å; S108-L112 VanDerWaalsContact O-N 3.13Å; R109-L112 PolarHBondContact O-N 3.14Å; I110-L112 VanDerWaalsContact C-N 3.33Å; I110-L112 PolarHBondContact O-N 2.94Å; L112-C115 HydrophobicContact CD1-CB 4.34Å; L112-C115 WeakPolarHBondContact O-CB 3.49Å; L112-C115 PolarHBondContact O-N 2.98Å; L112-V116 WeakPolarHBondContact O-CG2 3.31Å; L112-V116 PolarHBondContact O-N 3.09Å
113F96.5Very high95.8Very high13 Ų1375 Ų756%0.05738%0.381CS..Hα-helixtrans-58.9-46.6171.1169.4-105.1000112.1V61 L65 I68 R109 I110 I111 C115 V116 L117V61-F113 HydrophobicContact CG1-CD2 4.47Å; L65-F113 HydrophobicContact CD2-CE2 4.48Å; L65-F113 HydrophobicContact CG-CE2 4.37Å; I68-F113 HydrophobicContact CD1-CD1 4.49Å; I68-F113 HydrophobicContact CD1-CE1 3.47Å; I68-F113 VanDerWaalsContact CD1-CE1 3.47Å; I68-F113 HydrophobicContact CD1-CZ 3.9Å; R109-F113 PolarHBondContact O-N 3.47Å; I110-F113 WeakPolarHBondContact O-CB 3.21Å; I110-F113 PolarHBondContact O-N 3.07Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 2.94Å; F113-C115 VanDerWaalsContact C-N 3.31Å; F113-C115 PolarHBondContact O-N 3.35Å; F113-V116 WeakPolarHBondContact O-CB 3.32Å; F113-V116 PolarHBondContact O-N 2.94Å; F113-L117 HydrophobicContact CD1-CD1 4.44Å; F113-L117 HydrophobicContact CE1-CD1 3.72Å; F113-L117 HydrophobicContact CE2-CD1 4.23Å; F113-L117 HydrophobicContact CE2-CG 4.47Å; F113-L117 HydrophobicContact CZ-CD1 3.63Å; F113-L117 HydrophobicContact CZ-CG 4.34Å; F113-L117 PolarHBondContact O-N 2.89Å
114F95.5Very high96Very high116 Ų11672.1 Ų72.151%0.50937%0.367SS..Hα-helixtrans-64-35.6174.6-75.8-67000112.3I110 I111 V116 L117 L118I110-F114 HydrophobicContact CG2-CD2 3.81Å; I110-F114 HydrophobicContact CG2-CE2 3.54Å; I110-F114 WeakPolarHBondContact O-CD2 3.3Å; I110-F114 PolarHBondContact O-N 3.49Å; I111-F114 PolarHBondContact O-N 3.03Å; I111-F114 VanDerWaalsContact O-N 3.15Å; F114-V116 VanDerWaalsContact C-N 3.35Å; F114-V116 PolarHBondContact O-N 3.04Å; F114-L117 PolarHBondContact O-N 3.2Å; F114-L118 WeakPolarHBondContact O-CB 3.04Å; F114-L118 PolarHBondContact O-N 2.97Å
115C95.7Very high96Very high55 Ų5568.7 Ų68.737%0.37235%0.353SS..Hα-helixtrans-60.4-42.3172.3-670000112I111 L112 F113 L117 L118 V119I111-C115 PolarHBondContact O-N 3.44Å; I111-C115 PolarHBondContact O-SG 3.25Å; L112-C115 HydrophobicContact CD1-CB 4.34Å; L112-C115 WeakPolarHBondContact O-CB 3.49Å; L112-C115 PolarHBondContact O-N 2.98Å; F113-C115 VanDerWaalsContact C-N 3.31Å; F113-C115 PolarHBondContact O-N 3.35Å; C115-L117 VanDerWaalsContact C-N 3.27Å; C115-L117 PolarHBondContact O-N 3.34Å; C115-L118 PolarHBondContact O-N 3.15Å; C115-V119 WeakPolarHBondContact O-CB 3.18Å; C115-V119 WeakPolarHBondContact O-CG2 3.4Å; C115-V119 PolarHBondContact O-N 3.36Å
116V96.6Very high96.1Very high7 Ų764.5 Ų64.54%0.04235%0.345CS..Hα-helixtrans-59.2-38.7176.6173.30000111.6I50 L53 V61 L112 F113 F114 P120I50-V116 HydrophobicContact CG2-CG1 4.49Å; L53-V116 HydrophobicContact CB-CG1 4.23Å; L53-V116 HydrophobicContact CB-CG2 3.98Å; L53-V116 HydrophobicContact CD1-CG2 4.49Å; V61-V116 HydrophobicContact CG2-CG1 4.35Å; V61-V116 HydrophobicContact CG2-CG2 4.16Å; L112-V116 WeakPolarHBondContact O-CG2 3.31Å; L112-V116 PolarHBondContact O-N 3.09Å; F113-V116 WeakPolarHBondContact O-CB 3.32Å; F113-V116 PolarHBondContact O-N 2.94Å; F114-V116 VanDerWaalsContact C-N 3.35Å; F114-V116 PolarHBondContact O-N 3.04Å; V116-P120 WeakPolarHBondContact O-CD 3.27Å; V116-P120 WeakPolarHBondContact O-CG 3.5Å
117L95.8Very high96.2Very high78 Ų7861.6 Ų61.641%0.40833%0.332SS..Hα-helixtrans-76.6-36.2176.7-62.8-179.7000112.8F113 F114 C115 P120F113-L117 HydrophobicContact CD1-CD1 4.44Å; F113-L117 HydrophobicContact CE1-CD1 3.72Å; F113-L117 HydrophobicContact CE2-CD1 4.23Å; F113-L117 HydrophobicContact CE2-CG 4.47Å; F113-L117 HydrophobicContact CZ-CD1 3.63Å; F113-L117 HydrophobicContact CZ-CG 4.34Å; F113-L117 PolarHBondContact O-N 2.89Å; F114-L117 PolarHBondContact O-N 3.2Å; C115-L117 VanDerWaalsContact C-N 3.27Å; C115-L117 PolarHBondContact O-N 3.34Å; L117-P120 WeakPolarHBondContact O-CD 3.47Å
118L97Very high96.1Very high93 Ų9357.6 Ų57.649%0.48731%0.312SS..Hα-helixtrans-80.7-36.8-172.7-173.663.8000113.3F114 C115 V121 L122F114-L118 WeakPolarHBondContact O-CB 3.04Å; F114-L118 PolarHBondContact O-N 2.97Å; C115-L118 PolarHBondContact O-N 3.15Å; L118-V121 PolarHBondContact O-N 3.22Å; L118-V121 VanDerWaalsContact O-N 3.13Å; L118-L122 HydrophobicContact CD1-CD1 4.49Å; L118-L122 HydrophobicContact CD1-CG 4.21Å; L118-L122 HydrophobicContact CD2-CD1 4.17Å; L118-L122 HydrophobicContact CG-CD1 3.84Å; L118-L122 HydrophobicContact CG-CG 4.03Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.41Å
119V97.6Very high96Very high60 Ų6055.5 Ų55.536%0.36429%0.293SS..Hα-helixtrans-56.9-46-179.4169.80000112.7I49 L53 C115 V121 L122 T123I49-V119 HydrophobicContact CG2-CG1 3.98Å; L53-V119 HydrophobicContact CD1-CB 4.19Å; L53-V119 HydrophobicContact CD1-CG1 4.28Å; C115-V119 WeakPolarHBondContact O-CB 3.18Å; C115-V119 WeakPolarHBondContact O-CG2 3.4Å; C115-V119 PolarHBondContact O-N 3.36Å; V119-V121 PolarHBondContact O-N 3.17Å; V119-L122 PolarHBondContact O-N 3.31Å; V119-T123 WeakPolarHBondContact O-CB 3.25Å; V119-T123 PolarHBondContact O-N 3.12Å; V119-T123 PolarHBondContact O-OG1 2.81Å
120P97.8Very high95.9Very high3 Ų352.1 Ų52.12%0.01929%0.285CS..Hα-helixtrans-54.5-47.8171.6-26.632.4000113.5I49 I50 V116 L117 T123 V124I49-P120 HydrophobicContact CB-CG 4.12Å; I49-P120 HydrophobicContact CG2-CG 3.72Å; I50-P120 HydrophobicContact CD1-CG 4.24Å; I50-P120 HydrophobicContact CG1-CG 3.68Å; V116-P120 WeakPolarHBondContact O-CD 3.27Å; V116-P120 WeakPolarHBondContact O-CG 3.5Å; L117-P120 WeakPolarHBondContact O-CD 3.47Å; P120-T123 PolarHBondContact O-N 2.84Å; P120-V124 WeakPolarHBondContact O-CB 3.49Å; P120-V124 VanDerWaalsContact O-CG2 3.27Å; P120-V124 WeakPolarHBondContact O-CG2 3.18Å; P120-V124 PolarHBondContact O-N 2.75Å
121V96.7Very high95.7Very high80 Ų8051.1 Ų51.149%0.48528%0.28SS..Hα-helixtrans-61.6-48.8-178.8177.80000110.2L118 V119 T123 V124 C125L118-V121 PolarHBondContact O-N 3.22Å; L118-V121 VanDerWaalsContact O-N 3.13Å; V119-V121 PolarHBondContact O-N 3.17Å; V121-T123 VanDerWaalsContact C-N 3.35Å; V121-T123 PolarHBondContact O-N 3.02Å; V121-V124 PolarHBondContact O-N 2.78Å; V121-C125 WeakPolarHBondContact O-CB 3.49Å; V121-C125 PolarHBondContact O-N 3.29Å; V121-C125 PolarHBondContact O-SG 2.87Å
122L97.5Very high95.3Very high89 Ų8949.7 Ų49.747%0.46627%0.271SS..Hα-helixtrans-62.3-42.3177.9-67.9177000111.9L118 V119 V124 C125 L126L118-L122 HydrophobicContact CD1-CD1 4.49Å; L118-L122 HydrophobicContact CD1-CG 4.21Å; L118-L122 HydrophobicContact CD2-CD1 4.17Å; L118-L122 HydrophobicContact CG-CD1 3.84Å; L118-L122 HydrophobicContact CG-CG 4.03Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.41Å; V119-L122 PolarHBondContact O-N 3.31Å; L122-V124 PolarHBondContact O-N 3.2Å; L122-C125 PolarHBondContact O-N 3.45Å; L122-L126 VanDerWaalsContact O-CB 3.26Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 2.97Å
123T97.7Very high94.4Very high48 Ų4850.1 Ų50.129%0.29427%0.268SS..Hα-helixtrans-62.3-44.4178.3-56.30000111.1L45 I49 V119 P120 V121 H127L45-T123 HydrophobicContact CD2-CG2 3.99Å; I49-T123 HydrophobicContact CD1-CG2 4.07Å; V119-T123 WeakPolarHBondContact O-CB 3.25Å; V119-T123 PolarHBondContact O-N 3.12Å; V119-T123 PolarHBondContact O-OG1 2.81Å; P120-T123 PolarHBondContact O-N 2.84Å; V121-T123 VanDerWaalsContact C-N 3.35Å; V121-T123 PolarHBondContact O-N 3.02Å; T123-H127 VanDerWaalsContact O-CB 3.23Å; T123-H127 WeakPolarHBondContact O-CB 3Å; T123-H127 PolarHBondContact O-N 3.34Å
124V97.5Very high93.1Very high13 Ų1350.9 Ų50.98%0.07927%0.273CS..Hα-helixtrans-62.3-48.2176168.10000110.9L35 Y42 P120 V121 L122 H127 A128L35-V124 HydrophobicContact CD2-CG1 3.61Å; Y42-V124 HydrophobicContact CD1-CB 4.09Å; Y42-V124 HydrophobicContact CD1-CG1 3.7Å; Y42-V124 HydrophobicContact CD1-CG2 3.79Å; Y42-V124 HydrophobicContact CD2-CG1 4.15Å; Y42-V124 HydrophobicContact CE1-CG1 4.18Å; Y42-V124 HydrophobicContact CG-CB 4.45Å; Y42-V124 HydrophobicContact CG-CG1 3.68Å; Y42-V124 HydrophobicContact CG-CG2 4.13Å; P120-V124 WeakPolarHBondContact O-CB 3.49Å; P120-V124 VanDerWaalsContact O-CG2 3.27Å; P120-V124 WeakPolarHBondContact O-CG2 3.18Å; P120-V124 PolarHBondContact O-N 2.75Å; V121-V124 PolarHBondContact O-N 2.78Å; L122-V124 PolarHBondContact O-N 3.2Å; V124-H127 PolarHBondContact O-N 3.34Å; V124-A128 WeakPolarHBondContact O-CB 3.41Å; V124-A128 PolarHBondContact O-N 3.46Å
125C95Very high91.5Very high50 Ų5051.9 Ų51.934%0.33828%0.283SS..Hα-helixtrans-61.4-47.7178.5-730000111.7V121 L122 H127 A128 L129V121-C125 WeakPolarHBondContact O-CB 3.49Å; V121-C125 PolarHBondContact O-N 3.29Å; V121-C125 PolarHBondContact O-SG 2.87Å; L122-C125 PolarHBondContact O-N 3.45Å; C125-H127 PolarHBondContact O-N 3.13Å; C125-A128 PolarHBondContact O-N 3.29Å; C125-L129 WeakPolarHBondContact O-CB 3.49Å; C125-L129 PolarHBondContact O-N 3.3Å
126L95.6Very high89.9Confident108 Ų10856.4 Ų56.457%0.56530%0.296SS*.Hα-helixtrans-61.6-45.8178.5-75172.4000111.4L122 L129 C130L122-L126 VanDerWaalsContact O-CB 3.26Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 2.97Å; L126-L129 PolarHBondContact O-N 3.26Å; L126-C130 VanDerWaalsContact O-CB 3.26Å; L126-C130 WeakPolarHBondContact O-CB 3.12Å; L126-C130 PolarHBondContact O-N 3.22Å; L126-C130 PolarHBondContact O-SG 2.82Å
127H96.1Very high88.2Confident17 Ų1756 Ų568%0.07929%0.294CS..Hα-helixtrans-62.8-47.5176.6-177-84.2000111.5F12 Y19 Y42 T123 V124 C125 L129 C130 R131F12-H127 AromaticContact CD2-CE1 3.52Å; F12-H127 AromaticContact CE2-CE1 3.18Å; F12-H127 WeakPolarHBondContact CE2-CE1 3.36Å; F12-H127 AromaticContact CE2-ND1 3.56Å; F12-H127 AromaticContact CE2-NE2 3.9Å; F12-H127 AromaticContact CZ-CE1 3.8Å; F12-H127 AromaticContact CZ-ND1 3.99Å; F12-H127 PolarHBondContact O-NE2 2.94Å; F12-H127 VanDerWaalsContact O-NE2 3.09Å; Y19-H127 AromaticContact CE1-CD2 3.68Å; Y19-H127 AromaticContact CE1-NE2 3.55Å; Y19-H127 AromaticContact CZ-NE2 3.68Å; Y19-H127 PolarHBondContact OH-NE2 3.48Å; Y42-H127 HydrophobicContact CE1-CB 4.09Å; Y42-H127 AromaticContact CE1-CG 3.95Å; Y42-H127 AromaticContact CE1-ND1 3.32Å; Y42-H127 VanDerWaalsContact CE1-ND1 3.32Å; Y42-H127 WeakPolarHBondContact CE1-ND1 3.46Å; Y42-H127 AromaticContact CZ-ND1 3.56Å; Y42-H127 PolarHBondContact OH-ND1 3.33Å; T123-H127 VanDerWaalsContact O-CB 3.23Å; T123-H127 WeakPolarHBondContact O-CB 3Å; T123-H127 PolarHBondContact O-N 3.34Å; V124-H127 PolarHBondContact O-N 3.34Å; C125-H127 PolarHBondContact O-N 3.13Å; H127-L129 VanDerWaalsContact C-N 3.31Å; H127-L129 PolarHBondContact O-N 3.12Å; H127-C130 PolarHBondContact O-N 3.38Å; H127-R131 VanDerWaalsContact CE1-CD 3.49Å; H127-R131 WeakPolarHBondContact CE1-CD 3.33Å; H127-R131 WeakPolarHBondContact O-CB 3.41Å; H127-R131 PolarHBondContact O-N 3.42Å
128A94Very high86.7Confident0 Ų058.2 Ų58.20%030%0.297CS..Hα-helixtrans-63-36.617900000112.6M31 N34 L35 Y42 V124 C125M31-A128 HydrophobicContact CG-CB 3.98Å; N34-A128 HydrophobicContact CB-CB 4.14Å; N34-A128 PolarHBondContact ND2-O 3.02Å; L35-A128 HydrophobicContact CD2-CB 3.89Å; L35-A128 HydrophobicContact CG-CB 3.92Å; Y42-A128 HydrophobicContact CE2-CB 4.4Å; Y42-A128 VanDerWaalsContact OH-CA 3.3Å; Y42-A128 WeakPolarHBondContact OH-CA 3.46Å; Y42-A128 WeakPolarHBondContact OH-CB 3.42Å; Y42-A128 PolarHBondContact OH-N 3.42Å; V124-A128 WeakPolarHBondContact O-CB 3.41Å; V124-A128 PolarHBondContact O-N 3.46Å; C125-A128 PolarHBondContact O-N 3.29Å
129L93.2Very high85.1Confident46 Ų4658.2 Ų58.224%0.24130%0.301CS..Hα-helixtrans-72-45.7177.8-17368.6000111.9P22 W27 R30 M31 C125 L126 H127P22-L129 HydrophobicContact CG-CD1 3.71Å; P22-L129 HydrophobicContact CG-CG 3.86Å; W27-L129 HydrophobicContact CB-CD1 4.02Å; W27-L129 HydrophobicContact CD2-CD1 4.44Å; W27-L129 HydrophobicContact CE3-CD1 3.75Å; R30-L129 VanDerWaalsContact CD-O 3.27Å; R30-L129 WeakPolarHBondContact CD-O 3.31Å; R30-L129 PolarHBondContact NE-O 2.96Å; R30-L129 VanDerWaalsContact NE-O 3.09Å; M31-L129 HydrophobicContact CB-CD1 4.4Å; C125-L129 WeakPolarHBondContact O-CB 3.49Å; C125-L129 PolarHBondContact O-N 3.3Å; L126-L129 PolarHBondContact O-N 3.26Å; H127-L129 VanDerWaalsContact C-N 3.31Å; H127-L129 PolarHBondContact O-N 3.12Å
130C92.6Very high83.4Confident34 Ų3457.1 Ų57.123%0.2330%0.295CS..Hα-helixtrans-80.9-19.8-174.2-64.40000113.1Y19 S20 R30 L126 H127Y19-C130 CarbonylContact C-O 3.28Å; Y19-C130 WeakPolarHBondContact CA-O 3.49Å; Y19-C130 HydrophobicContact CD1-CB 4.18Å; S20-C130 PolarHBondContact N-O 3.21Å; S20-C130 VanDerWaalsContact O-O 3.06Å; R30-C130 VanDerWaalsContact NH2-C 3.33Å; R30-C130 PolarHBondContact NH2-O 3.38Å; L126-C130 VanDerWaalsContact O-CB 3.26Å; L126-C130 WeakPolarHBondContact O-CB 3.12Å; L126-C130 PolarHBondContact O-N 3.22Å; L126-C130 PolarHBondContact O-SG 2.82Å; H127-C130 PolarHBondContact O-N 3.38Å
131R91.1Very high81.8Confident0 Ų059.6 Ų59.60%031%0.305CS..BIsolated β-bridgetrans-76.7127.8-176.7-177.3163.7178.687.715.8112.9D11 F12 Y19 R30 N34 Y38 H127 N134D11-R131 PolarHBondContact O-NH1 3.38Å; D11-R131 PolarHBondContact O-NH2 2.78Å; D11-R131 IonicContact OD1-NH2 3.38Å; D11-R131 PolarHBondContact OD1-NH2 3.21Å; F12-R131 PolarHBondContact O-NH1 2.61Å; Y19-R131 HydrophobicContact CD1-CB 4.15Å; Y19-R131 HydrophobicContact CE1-CB 3.97Å; Y19-R131 HydrophobicContact CE1-CG 4.34Å; R30-R131 PolarHBondContact NE-O 3.07Å; R30-R131 PolarHBondContact NH2-O 3.19Å; N34-R131 PolarHBondContact ND2-O 3.14Å; Y38-R131 PolarHBondContact OH-NE 3.01Å; Y38-R131 VanDerWaalsContact OH-NE 3.12Å; Y38-R131 PolarHBondContact OH-NH2 2.81Å; H127-R131 VanDerWaalsContact CE1-CD 3.49Å; H127-R131 WeakPolarHBondContact CE1-CD 3.33Å; H127-R131 WeakPolarHBondContact O-CB 3.41Å; H127-R131 PolarHBondContact O-N 3.42Å; R131-N134 PolarHBondContact NH2-ND2 3.25Å
132Q87.3Confident80.4Confident66 Ų6660.8 Ų60.831%0.30831%0.308SS..  trans-70.5150.4179.1-68.6-177.2-900111.5R18 S20 R30 N134R18-Q132 HydrophobicContact CB-CB 4.16Å; R18-Q132 HydrophobicContact CB-CG 4.27Å; R18-Q132 PolarHBondContact O-N 3.35Å; S20-Q132 VanDerWaalsContact CB-NE2 3.34Å; S20-Q132 WeakPolarHBondContact OG-CG 3.46Å; S20-Q132 PolarHBondContact OG-NE2 3.39Å; R30-Q132 VanDerWaalsContact NH2-N 3.16Å; Q132-N134 PolarHBondContact O-N 2.57Å; Q132-N134 PolarHBondContact O-OD1 3.17Å
133R76.3Confident78.7Confident76 Ų7659.5 Ų59.529%0.28730%0.304SS..  trans-74.4110.1176.3-175.2173.2179.6-160.5-10.5109.1R138R133-R138 HydrophobicContact CG-CG 4.05Å; R133-R138 VanDerWaalsContact NE-CG 3.34Å
134N67.7Low77.1Confident30 Ų3060.1 Ų60.116%0.1630%0.304CS..  trans-69.7142.8173.9-59.1-2.5000109.5D11 R131 Q132 K136 N137 R138D11-N134 PolarHBondContact OD1-ND2 3.48Å; D11-N134 VanDerWaalsContact OD1-ND2 3.14Å; R131-N134 PolarHBondContact NH2-ND2 3.25Å; Q132-N134 PolarHBondContact O-N 2.57Å; Q132-N134 PolarHBondContact O-OD1 3.17Å; N134-K136 PolarHBondContact O-N 3.43Å; N134-N137 HydrophobicContact CB-CB 4.42Å; N134-N137 WeakPolarHBondContact O-CA 3.48Å; N134-N137 VanDerWaalsContact O-CB 3.29Å; N134-N137 WeakPolarHBondContact O-CB 3.36Å; N134-N137 PolarHBondContact O-N 3.43Å; N134-R138 PolarHBondContact O-N 3.19Å
135L63.3Low75.4Confident136 Ų13662 Ų6271%0.71232%0.318SS*.Hα-helixtrans-55.6-39.1175.2-74.9169.8000111.6N137 R138 V139L135-N137 PolarHBondContact O-N 2.89Å; L135-R138 WeakPolarHBondContact O-CA 3.42Å; L135-R138 VanDerWaalsContact O-CB 3.29Å; L135-R138 WeakPolarHBondContact O-CB 3.47Å; L135-R138 PolarHBondContact O-N 2.89Å; L135-V139 PolarHBondContact O-N 3.41Å
136K61.5Low73.7Confident150 Ų15065.1 Ų65.165%0.65234%0.335SS*.Hα-helixtrans-55.5-36.2172-170.9176.9-178.6179.70112.8N134 R138 V139 C140N134-K136 PolarHBondContact O-N 3.43Å; K136-R138 VanDerWaalsContact C-N 3.32Å; K136-V139 PolarHBondContact O-N 3.13Å; K136-C140 WeakPolarHBondContact O-CB 3.45Å; K136-C140 PolarHBondContact O-N 3.11Å
137N61.7Low71.8Confident0 Ų069.2 Ų69.20%034%0.343CS..Hα-helixtrans-70.5-32.5177.2-59.47.6000110.5Y37 Y38 N134 L135 K141Y37-N137 HydrophobicContact CD2-CB 4.09Å; Y37-N137 VanDerWaalsContact CE1-OD1 3.25Å; Y37-N137 WeakPolarHBondContact CE1-OD1 3.47Å; Y37-N137 HydrophobicContact CE2-CB 4.09Å; Y37-N137 HydrophobicContact CG-CB 4.37Å; Y37-N137 PolarHBondContact OH-OD1 3.47Å; Y38-N137 PolarHBondContact OH-ND2 3.31Å; N134-N137 HydrophobicContact CB-CB 4.42Å; N134-N137 WeakPolarHBondContact O-CA 3.48Å; N134-N137 VanDerWaalsContact O-CB 3.29Å; N134-N137 WeakPolarHBondContact O-CB 3.36Å; N134-N137 PolarHBondContact O-N 3.43Å; L135-N137 PolarHBondContact O-N 2.89Å; N137-K141 WeakPolarHBondContact O-CB 3.42Å; N137-K141 VanDerWaalsContact O-CD 3.29Å; N137-K141 WeakPolarHBondContact O-CD 2.9Å; N137-K141 WeakPolarHBondContact O-CG 3.01Å; N137-K141 PolarHBondContact O-N 3.35Å
138R64.4Low69.5Low123 Ų12371.3 Ų71.346%0.46435%0.354SS..Hα-helixtrans-65.4-51173.4-47.7-153.8171.8179.5-4.4111.2R133 N134 L135 K136 K141 L142R133-R138 HydrophobicContact CG-CG 4.05Å; R133-R138 VanDerWaalsContact NE-CG 3.34Å; N134-R138 PolarHBondContact O-N 3.19Å; L135-R138 WeakPolarHBondContact O-CA 3.42Å; L135-R138 VanDerWaalsContact O-CB 3.29Å; L135-R138 WeakPolarHBondContact O-CB 3.47Å; L135-R138 PolarHBondContact O-N 2.89Å; K136-R138 VanDerWaalsContact C-N 3.32Å; R138-K141 WeakPolarHBondContact O-CB 3.42Å; R138-K141 PolarHBondContact O-N 3.18Å; R138-L142 WeakPolarHBondContact O-CB 3.29Å; R138-L142 PolarHBondContact O-N 2.9Å
139V62Low67.6Low94 Ų9474.8 Ų74.857%0.5739%0.39SS*.Hα-helixtrans-63.8-47.4-178.3177.40000110.6L135 K136 K141 L142 V143L135-V139 PolarHBondContact O-N 3.41Å; K136-V139 PolarHBondContact O-N 3.13Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 3.35Å; V139-L142 PolarHBondContact O-N 3.13Å; V139-V143 HydrophobicContact CG1-CG2 4.29Å; V139-V143 WeakPolarHBondContact O-CB 3.31Å; V139-V143 VanDerWaalsContact O-CG2 3.26Å; V139-V143 WeakPolarHBondContact O-CG2 3.41Å; V139-V143 PolarHBondContact O-N 3.29Å
140C63.2Low65.8Low36 Ų3681 Ų8124%0.24342%0.418CS..Hα-helixtrans-59.8-40.9176.5-171.80000111.4Y37 K136 E144Y37-C140 HydrophobicContact CE2-CB 3.99Å; K136-C140 WeakPolarHBondContact O-CB 3.45Å; K136-C140 PolarHBondContact O-N 3.11Å; C140-E144 WeakPolarHBondContact O-CB 3.25Å; C140-E144 PolarHBondContact O-N 3.04Å
141K62.9Low64.2Low55 Ų5585.6 Ų85.624%0.23944%0.436CS..Hα-helixtrans-64.9-42.8176.5-81.2169.2172.1-1110112.9S33 N137 R138 V139 E144 S145S33-K141 VanDerWaalsContact O-CE 3.31Å; S33-K141 WeakPolarHBondContact O-CE 3.26Å; S33-K141 PolarHBondContact O-NZ 2.9Å; S33-K141 WeakPolarHBondContact OG-CE 3.45Å; S33-K141 PolarHBondContact OG-NZ 3.32Å; N137-K141 WeakPolarHBondContact O-CB 3.42Å; N137-K141 VanDerWaalsContact O-CD 3.29Å; N137-K141 WeakPolarHBondContact O-CD 2.9Å; N137-K141 WeakPolarHBondContact O-CG 3.01Å; N137-K141 PolarHBondContact O-N 3.35Å; R138-K141 WeakPolarHBondContact O-CB 3.42Å; R138-K141 PolarHBondContact O-N 3.18Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 3.35Å; K141-E144 PolarHBondContact O-N 2.84Å; K141-S145 WeakPolarHBondContact O-CB 3.46Å; K141-S145 PolarHBondContact O-N 3.43Å; K141-S145 PolarHBondContact O-OG 3.22Å
142L66.9Low63.1Low105 Ų10590.5 Ų90.555%0.5545%0.454SS..Hα-helixtrans-65.8-44.4177.8-170.8153000110.7R138 V139 E144 S145 V146R138-L142 WeakPolarHBondContact O-CB 3.29Å; R138-L142 PolarHBondContact O-N 2.9Å; V139-L142 PolarHBondContact O-N 3.13Å; L142-E144 VanDerWaalsContact C-N 3.28Å; L142-E144 PolarHBondContact O-N 3.04Å; L142-S145 WeakPolarHBondContact CA-OG 3.29Å; L142-S145 PolarHBondContact O-N 3.06Å; L142-S145 PolarHBondContact O-OG 3.25Å; L142-V146 HydrophobicContact CD2-CG2 4.02Å; L142-V146 VanDerWaalsContact O-CB 3.3Å; L142-V146 WeakPolarHBondContact O-CB 3.46Å; L142-V146 WeakPolarHBondContact O-CG2 3.44Å; L142-V146 PolarHBondContact O-N 3.05Å
143V63.6Low62.9Low62 Ų6288.3 Ų88.338%0.37645%0.445SS..Hα-helixtrans-61.5-39.5174172.70000110.9V139 R147V139-V143 HydrophobicContact CG1-CG2 4.29Å; V139-V143 WeakPolarHBondContact O-CB 3.31Å; V139-V143 VanDerWaalsContact O-CG2 3.26Å; V139-V143 WeakPolarHBondContact O-CG2 3.41Å; V139-V143 PolarHBondContact O-N 3.29Å; V143-R147 HydrophobicContact CG1-CG 4.47Å; V143-R147 WeakPolarHBondContact O-CB 3.29Å; V143-R147 VanDerWaalsContact O-CG 3.26Å; V143-R147 WeakPolarHBondContact O-CG 3.5Å; V143-R147 PolarHBondContact O-N 3.23Å
144E62.7Low63.3Low61 Ų6187.9 Ų87.929%0.28545%0.448SS..Hα-helixtrans-69.8-41.6178-15373.2-104.500112.6R2 C140 K141 L142 R147 I148R2-E144 IonicContact CZ-OE1 3.08Å; R2-E144 IonicContact CZ-OE2 3.98Å; R2-E144 IonicContact NH1-OE1 2.64Å; R2-E144 PolarHBondContact NH1-OE1 3.27Å; R2-E144 IonicContact NH1-OE2 3.94Å; R2-E144 VanDerWaalsContact NH2-CD 3.25Å; R2-E144 IonicContact NH2-OE1 2.67Å; R2-E144 PolarHBondContact NH2-OE1 2.88Å; R2-E144 IonicContact NH2-OE2 3.37Å; R2-E144 PolarHBondContact NH2-OE2 3.43Å; C140-E144 WeakPolarHBondContact O-CB 3.25Å; C140-E144 PolarHBondContact O-N 3.04Å; K141-E144 PolarHBondContact O-N 2.84Å; L142-E144 VanDerWaalsContact C-N 3.28Å; L142-E144 PolarHBondContact O-N 3.04Å; E144-R147 PolarHBondContact O-N 3.27Å; E144-I148 PolarHBondContact O-N 3.23Å
145S62.6Low64.2Low53 Ų5387.3 Ų87.337%0.37145%0.445SS..Hα-helixtrans-69.8-36.7178.364.70000111.9K141 L142K141-S145 WeakPolarHBondContact O-CB 3.46Å; K141-S145 PolarHBondContact O-N 3.43Å; K141-S145 PolarHBondContact O-OG 3.22Å; L142-S145 WeakPolarHBondContact CA-OG 3.29Å; L142-S145 PolarHBondContact O-N 3.06Å; L142-S145 PolarHBondContact O-OG 3.25Å
146V58.9Low65.3Low116 Ų11681.3 Ų81.370%0.70342%0.416SS*.Hα-helixtrans-69.9-37.1173.1171.90000111.2L142L142-V146 HydrophobicContact CD2-CG2 4.02Å; L142-V146 VanDerWaalsContact O-CB 3.3Å; L142-V146 WeakPolarHBondContact O-CB 3.46Å; L142-V146 WeakPolarHBondContact O-CG2 3.44Å; L142-V146 PolarHBondContact O-N 3.05Å
147R56.3Low66.5Low193 Ų19380.1 Ų80.173%0.72841%0.408SS*.Hα-helixtrans-76.3-35.1-178-82.5-177.4171.7-171.7-3.4113.8V143 E144V143-R147 HydrophobicContact CG1-CG 4.47Å; V143-R147 WeakPolarHBondContact O-CB 3.29Å; V143-R147 VanDerWaalsContact O-CG 3.26Å; V143-R147 WeakPolarHBondContact O-CG 3.5Å; V143-R147 PolarHBondContact O-N 3.23Å; E144-R147 PolarHBondContact O-N 3.27Å
148I46.7Very low67.7Low61 Ų6183.9 Ų83.931%0.31343%0.427SS..  trans-141.794-161.6-65.1164.4000111E144 E150 Q151E144-I148 PolarHBondContact O-N 3.23Å; I148-E150 VanDerWaalsContact C-N 3.33Å; I148-E150 PolarHBondContact O-N 3.33Å; I148-Q151 HydrophobicContact CG2-CB 3.84Å; I148-Q151 HydrophobicContact CG2-CG 4.19Å
149G54.8Low68.8Low73 Ų7378.6 Ų78.675%0.75341%0.408SS*.SBendtrans-77.1-4.1176.200000115.9
150E55Low70Confident177 Ų17777.9 Ų77.983%0.82740%0.398SS*.SBendtrans-134.3-20.2-164-148.9174.8176.500117I148 R152I148-E150 VanDerWaalsContact C-N 3.33Å; I148-E150 PolarHBondContact O-N 3.33Å; E150-R152 PolarHBondContact O-N 3.31Å
151Q58.2Low71.2Confident130 Ų13081 Ų8161%0.60742%0.416SS*.  trans-95.1109-174.1-63-165.1-10.700113.6R2 I148R2-Q151 HydrophobicContact CB-CB 4.4Å; I148-Q151 HydrophobicContact CG2-CB 3.84Å; I148-Q151 HydrophobicContact CG2-CG 4.19Å
152R69.2Low72.3Confident103 Ų10386 Ų8639%0.38944%0.438SS..  trans-75.9138.2174.8-64.2-176.3172.9172.4-7.4112.1R2 E150 E160R2-R152 PolarHBondContact N-O 3.49Å; E150-R152 PolarHBondContact O-N 3.31Å; R152-E160 VanDerWaalsContact CZ-CD 3.49Å; R152-E160 IonicContact CZ-OE1 3.12Å; R152-E160 IonicContact CZ-OE2 3.07Å; R152-E160 IonicContact NE-OE2 3.64Å; R152-E160 IonicContact NH1-OE1 2.72Å; R152-E160 PolarHBondContact NH1-OE1 3.37Å; R152-E160 IonicContact NH1-OE2 2.62Å; R152-E160 PolarHBondContact NH1-OE2 2.64Å; R152-E160 IonicContact NH2-OE1 2.91Å; R152-E160 PolarHBondContact NH2-OE1 2.67Å; R152-E160 IonicContact NH2-OE2 3.61Å
153T82.8Confident73.2Confident20 Ų2084.2 Ų84.212%0.12345%0.445CS..BIsolated β-bridgetrans-86160.6168.871.10000110.3R2 V4 Q39 M155 G156 Y157R2-T153 HydrophobicContact CB-CG2 4.41Å; V4-T153 HydrophobicContact CG2-CG2 3.65Å; Q39-T153 PolarHBondContact OE1-OG1 3.43Å; T153-M155 VanDerWaalsContact C-N 3.34Å; T153-M155 PolarHBondContact O-N 2.84Å; T153-G156 WeakPolarHBondContact O-CA 3.22Å; T153-G156 PolarHBondContact O-N 2.62Å; T153-G156 PolarHBondContact OG1-N 2.9Å; T153-Y157 PolarHBondContact O-N 3.24Å
154L85.6Confident74.1Confident67 Ų6783.5 Ų83.535%0.35144%0.441SS..Hα-helixtrans-55.6-44.9177.5-179.365.7000112.7M1 F43 G156 Y157 M158M1-L154 HydrophobicContact CE-CD1 4.23Å; M1-L154 HydrophobicContact SD-CD1 3.99Å; F43-L154 HydrophobicContact CE1-CD2 4.27Å; F43-L154 HydrophobicContact CE2-CD2 3.89Å; F43-L154 HydrophobicContact CE2-CG 4.41Å; F43-L154 HydrophobicContact CZ-CD2 3.59Å; F43-L154 HydrophobicContact CZ-CG 4.06Å; L154-G156 VanDerWaalsContact C-N 3.29Å; L154-G156 PolarHBondContact O-N 3.34Å; L154-Y157 PolarHBondContact O-N 2.94Å; L154-M158 WeakPolarHBondContact O-CG 3.2Å; L154-M158 PolarHBondContact O-N 3.04Å
155M86.6Confident74.7Confident19 Ų1984.1 Ų84.19%0.09445%0.446CS..Hα-helixtrans-63.8-36.7175.9-175.167.477.800111.7L35 Q39 T153 Y157 M158 L159L35-M155 HydrophobicContact CB-CE 4.41Å; L35-M155 HydrophobicContact CB-CG 4.08Å; L35-M155 HydrophobicContact CB-SD 4.26Å; L35-M155 HydrophobicContact CD2-CE 4.03Å; L35-M155 HydrophobicContact CD2-SD 4.42Å; Q39-M155 HydrophobicContact CB-CB 4.26Å; Q39-M155 VanDerWaalsContact CD-CB 3.47Å; Q39-M155 HydrophobicContact CG-CB 3.72Å; T153-M155 VanDerWaalsContact C-N 3.34Å; T153-M155 PolarHBondContact O-N 2.84Å; M155-Y157 VanDerWaalsContact C-N 3.32Å; M155-Y157 PolarHBondContact O-N 2.91Å; M155-M158 PolarHBondContact O-N 2.72Å; M155-L159 HydrophobicContact CG-CD1 4.17Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CB 3.11Å; M155-L159 WeakPolarHBondContact O-CG 3.21Å; M155-L159 PolarHBondContact O-N 3.26Å
156G85Confident75Confident10 Ų1083.3 Ų83.310%0.10344%0.439CS..Hα-helixtrans-60.3-41.9175.100000112.3T153 L154 L159 E160T153-G156 WeakPolarHBondContact O-CA 3.22Å; T153-G156 PolarHBondContact O-N 2.62Å; T153-G156 PolarHBondContact OG1-N 2.9Å; L154-G156 VanDerWaalsContact C-N 3.29Å; L154-G156 PolarHBondContact O-N 3.34Å; G156-L159 PolarHBondContact O-N 2.87Å; G156-E160 PolarHBondContact O-N 3.36Å; G156-E160 VanDerWaalsContact O-N 3.13Å
157Y86.5Confident75.4Confident125 Ų12584.1 Ų84.149%0.4943%0.429SS..Hα-helixtrans-65-44.1174.2-179.4-98.6000112.2T153 L154 M155 L159 E160 V161T153-Y157 PolarHBondContact O-N 3.24Å; L154-Y157 PolarHBondContact O-N 2.94Å; M155-Y157 VanDerWaalsContact C-N 3.32Å; M155-Y157 PolarHBondContact O-N 2.91Å; Y157-L159 VanDerWaalsContact C-N 3.33Å; Y157-L159 PolarHBondContact O-N 3.48Å; Y157-E160 PolarHBondContact O-N 2.87Å; Y157-V161 HydrophobicContact CD1-CG2 4.4Å; Y157-V161 HydrophobicContact CE1-CG2 3.99Å; Y157-V161 WeakPolarHBondContact O-CG2 3.43Å; Y157-V161 PolarHBondContact O-N 3.29Å; Y157-V161 VanDerWaalsContact O-N 3.11Å
158M87.5Confident75.5Confident78 Ų7879.6 Ų79.638%0.38442%0.419SS..Hα-helixtrans-59.1-45.2176.7-66.7179.378.400111.4F43 L154 M155 E160 V161 F162F43-M158 HydrophobicContact CE1-SD 4.38Å; F43-M158 HydrophobicContact CZ-SD 4.09Å; L154-M158 WeakPolarHBondContact O-CG 3.2Å; L154-M158 PolarHBondContact O-N 3.04Å; M155-M158 PolarHBondContact O-N 2.72Å; M158-E160 VanDerWaalsContact C-N 3.34Å; M158-E160 PolarHBondContact O-N 3.48Å; M158-V161 PolarHBondContact O-N 3.05Å; M158-F162 WeakPolarHBondContact O-CD2 3.44Å; M158-F162 PolarHBondContact O-N 3.3Å; M158-F162 VanDerWaalsContact O-N 3.17Å
159L87.4Confident76.2Confident13 Ų1378.8 Ų78.87%0.06842%0.415CS..Hα-helixtrans-62.6-38.6179-75.2174.1000112.9V32 L35 I36 M155 G156 Y157 F162 G163 V164 V166V32-L159 HydrophobicContact CG1-CD1 3.85Å; L35-L159 HydrophobicContact CD1-CD2 4.13Å; I36-L159 HydrophobicContact CD1-CD1 4.26Å; I36-L159 HydrophobicContact CG1-CD1 4.07Å; M155-L159 HydrophobicContact CG-CD1 4.17Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CB 3.11Å; M155-L159 WeakPolarHBondContact O-CG 3.21Å; M155-L159 PolarHBondContact O-N 3.26Å; G156-L159 PolarHBondContact O-N 2.87Å; Y157-L159 VanDerWaalsContact C-N 3.33Å; Y157-L159 PolarHBondContact O-N 3.48Å; L159-F162 CarbonylContact O-C 3.41Å; L159-F162 WeakPolarHBondContact O-CA 3.38Å; L159-F162 WeakPolarHBondContact O-CB 3.26Å; L159-F162 PolarHBondContact O-N 3.13Å; L159-F162 VanDerWaalsContact O-N 3.12Å; L159-G163 PolarHBondContact O-N 3.37Å; L159-V164 HydrophobicContact CB-CB 4.16Å; L159-V164 WeakPolarHBondContact O-CB 3.2Å; L159-V164 PolarHBondContact O-N 3.19Å; L159-V166 HydrophobicContact CB-CG2 4.14Å; L159-V166 HydrophobicContact CD1-CG2 4.09Å
160E87.6Confident76.2Confident78 Ų7879 Ų7936%0.36440%0.401SS..Hα-helixtrans-65.8-39.5176.3-177.7177.3-162.100112.3R152 G156 Y157 M158 F162 G163R152-E160 VanDerWaalsContact CZ-CD 3.49Å; R152-E160 IonicContact CZ-OE1 3.12Å; R152-E160 IonicContact CZ-OE2 3.07Å; R152-E160 IonicContact NE-OE2 3.64Å; R152-E160 IonicContact NH1-OE1 2.72Å; R152-E160 PolarHBondContact NH1-OE1 3.37Å; R152-E160 IonicContact NH1-OE2 2.62Å; R152-E160 PolarHBondContact NH1-OE2 2.64Å; R152-E160 IonicContact NH2-OE1 2.91Å; R152-E160 PolarHBondContact NH2-OE1 2.67Å; R152-E160 IonicContact NH2-OE2 3.61Å; G156-E160 PolarHBondContact O-N 3.36Å; G156-E160 VanDerWaalsContact O-N 3.13Å; Y157-E160 PolarHBondContact O-N 2.87Å; M158-E160 VanDerWaalsContact C-N 3.34Å; M158-E160 PolarHBondContact O-N 3.48Å; E160-F162 PolarHBondContact O-N 3.25Å; E160-G163 WeakPolarHBondContact O-CA 3.3Å; E160-G163 PolarHBondContact O-N 2.66Å
161V88.4Confident75.9Confident101 Ų10176.4 Ų76.461%0.61239%0.392SS*.Hα-helixtrans-60.5-32.5171.8173.10000111.2Y157 M158 G163Y157-V161 HydrophobicContact CD1-CG2 4.4Å; Y157-V161 HydrophobicContact CE1-CG2 3.99Å; Y157-V161 WeakPolarHBondContact O-CG2 3.43Å; Y157-V161 PolarHBondContact O-N 3.29Å; Y157-V161 VanDerWaalsContact O-N 3.11Å; M158-V161 PolarHBondContact O-N 3.05Å; V161-G163 PolarHBondContact O-N 3.01Å
162F86.7Confident75.3Confident161 Ų16176.3 Ų76.371%0.70640%0.396SS*.THydrogen-bonded Turntrans-81.47172.5-68.7-64.3000114.2M158 L159 E160M158-F162 WeakPolarHBondContact O-CD2 3.44Å; M158-F162 PolarHBondContact O-N 3.3Å; M158-F162 VanDerWaalsContact O-N 3.17Å; L159-F162 CarbonylContact O-C 3.41Å; L159-F162 WeakPolarHBondContact O-CA 3.38Å; L159-F162 WeakPolarHBondContact O-CB 3.26Å; L159-F162 PolarHBondContact O-N 3.13Å; L159-F162 VanDerWaalsContact O-N 3.12Å; E160-F162 PolarHBondContact O-N 3.25Å
163G85.2Confident74Confident68 Ų6877.3 Ų77.370%0.70141%0.409SS*.THydrogen-bonded Turntrans79.314.717800000114.9L159 E160 V161L159-G163 PolarHBondContact O-N 3.37Å; E160-G163 WeakPolarHBondContact O-CA 3.3Å; E160-G163 PolarHBondContact O-N 2.66Å; V161-G163 PolarHBondContact O-N 3.01Å
164V82.3Confident73.6Confident46 Ų4680.2 Ų80.228%0.27942%0.423SS..  trans-94.5107.4175.7179.10000109.4V32 L159 V166V32-V164 HydrophobicContact CG1-CG1 4.33Å; V32-V164 HydrophobicContact CG2-CG1 3.87Å; L159-V164 HydrophobicContact CB-CB 4.16Å; L159-V164 WeakPolarHBondContact O-CB 3.2Å; L159-V164 PolarHBondContact O-N 3.19Å; V164-V166 PolarHBondContact O-N 3.01Å
165D75.5Confident73Confident75 Ų7580.8 Ų80.840%0.40143%0.427SS..  trans-77.1105.3172-165.9-13.6000110.6R167 L168D165-R167 PolarHBondContact O-N 3.25Å; D165-R167 VanDerWaalsContact OD1-CB 3.26Å; D165-R167 WeakPolarHBondContact OD1-CB 3.26Å; D165-R167 WeakPolarHBondContact OD1-CG 3.47Å; D165-R167 PolarHBondContact OD1-N 3.29Å; D165-L168 HydrophobicContact CB-CD1 4.01Å; D165-L168 HydrophobicContact CB-CG 4.05Å
166V69.8Low72.2Confident36 Ų3684.3 Ų84.322%0.21845%0.445CS..THydrogen-bonded Turntrans-65.7-24.7177.7-179.80000111.9I36 L159 V164 L169I36-V166 HydrophobicContact CD1-CB 4.38Å; I36-V166 HydrophobicContact CD1-CG1 3.36Å; I36-V166 HydrophobicContact CD1-CG2 4.08Å; L159-V166 HydrophobicContact CB-CG2 4.14Å; L159-V166 HydrophobicContact CD1-CG2 4.09Å; V164-V166 PolarHBondContact O-N 3.01Å; V166-L169 PolarHBondContact O-N 3.38Å
167R65.9Low71.5Confident133 Ų13388.6 Ų88.650%0.50247%0.466SS..THydrogen-bonded Turntrans-70.9-39.7-178.5-57.4-178.3-170.5-134.44.6111.6D165 L169 T170 I171D165-R167 PolarHBondContact O-N 3.25Å; D165-R167 VanDerWaalsContact OD1-CB 3.26Å; D165-R167 WeakPolarHBondContact OD1-CB 3.26Å; D165-R167 WeakPolarHBondContact OD1-CG 3.47Å; D165-R167 PolarHBondContact OD1-N 3.29Å; R167-L169 PolarHBondContact O-N 3.46Å; R167-T170 PolarHBondContact O-N 2.85Å; R167-T170 PolarHBondContact O-OG1 3.4Å; R167-I171 WeakPolarHBondContact O-CG1 3.17Å; R167-I171 PolarHBondContact O-N 3.01Å
168L59.9Low70.5Confident98 Ų9886.4 Ų86.451%0.51346%0.464SS..Hα-helixtrans-60.2-37.9177.7-64.1179.1000111.5D165 T170 I171 D172D165-L168 HydrophobicContact CB-CD1 4.01Å; D165-L168 HydrophobicContact CB-CG 4.05Å; L168-T170 PolarHBondContact O-N 2.78Å; L168-I171 PolarHBondContact O-N 2.9Å; L168-I171 VanDerWaalsContact O-N 3.13Å; L168-D172 PolarHBondContact O-N 3.37Å
169L60.7Low69.4Low44 Ų4486.9 Ų86.923%0.2347%0.469CS..Hα-helixtrans-67.2-21.1176.4-67.3172.7000114.3E29 V32 V166 R167E29-L169 HydrophobicContact CB-CD2 4.45Å; E29-L169 HydrophobicContact CG-CD2 3.81Å; V32-L169 HydrophobicContact CB-CD1 3.78Å; V32-L169 HydrophobicContact CG1-CD1 3.36Å; V32-L169 HydrophobicContact CG2-CD1 4.24Å; V166-L169 PolarHBondContact O-N 3.38Å; R167-L169 PolarHBondContact O-N 3.46Å
170T53.5Low68.1Low76 Ų7692.2 Ų92.247%0.46650%0.498SS..Hα-helixtrans-85.9-15.5174.755.90000113.7R167 L168R167-T170 PolarHBondContact O-N 2.85Å; R167-T170 PolarHBondContact O-OG1 3.4Å; L168-T170 PolarHBondContact O-N 2.78Å
171I49.4Very low66.6Low123 Ų12393.3 Ų93.363%0.63151%0.508SS*.Hα-helixtrans-91.8-35-179-60.9171.8000111R167 L168 N173R167-I171 WeakPolarHBondContact O-CG1 3.17Å; R167-I171 PolarHBondContact O-N 3.01Å; L168-I171 PolarHBondContact O-N 2.9Å; L168-I171 VanDerWaalsContact O-N 3.13Å; I171-N173 VanDerWaalsContact C-N 3.31Å; I171-N173 PolarHBondContact O-N 2.95Å
172D46Very low64.8Low128 Ų12892.7 Ų92.768%0.68450%0.5SS*.  trans-83.711.7-173.8-66.3-18.4000115.4L168L168-D172 PolarHBondContact O-N 3.37Å
173N42.4Very low62.8Low124 Ų12486.5 Ų86.566%0.66348%0.481SS*.  trans-139.40-179.4-81.6-76.3000113I171I171-N173 VanDerWaalsContact C-N 3.31Å; I171-N173 PolarHBondContact O-N 2.95Å

Retrieved 173 of 173 residues in 58.3 ms (Link to these results)

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