A0A077Z2N6_TRITR Loading...

Small ribosomal subunit protein eS17

AlphaFold DB , UniProt , Accession A0A077Z2N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M40.4Very low77.3Confident245 Ų245143.3 Ų143.3100%1.20772%0.723SS**  0122.10-70.6172.787.800109.1Q3M1-Q3 PolarHBondContact O-N 3.49Å
2S44.5Very low78.9Confident106 Ų106131.7 Ų131.774%0.74166%0.664SS**  trans-65.6125.6-174.759.50000112.9R4S2-R4 PolarHBondContact O-N 3.08Å
3Q58Low80.1Confident193 Ų193127.1 Ų127.190%0.90264%0.637SS**G310 helixtrans-61-19.9179.6-71.5-105.96.800114.3M1 G5M1-Q3 PolarHBondContact O-N 3.49Å; Q3-G5 PolarHBondContact O-N 3.37Å
4R70Confident81.2Confident246 Ų246128.4 Ų128.493%0.92864%0.637SS**G310 helixtrans-85.10.9-169.5-80.5-175.6-179.6-179.30.9117.2S2S2-R4 PolarHBondContact O-N 3.08Å
5G82.2Confident82.1Confident67 Ų67121.9 Ų121.969%0.69161%0.611SS**G310 helixtrans-103.6-3.5-171.900000117.9Q3Q3-G5 PolarHBondContact O-N 3.37Å
6R86Confident82.8Confident193 Ų193114.3 Ų114.373%0.72857%0.573SS**  trans-105.236.3-165.6-158.5159.7177.484.4-4.9115
7V91.2Very high83.5Confident121 Ų121112.5 Ų112.573%0.73356%0.558SS**PPolyproline II helixtrans-76.1126.3172.7-175.60000109.8
8R93.3Very high84Confident61 Ų61111.2 Ų111.223%0.2355%0.553CS.*PPolyproline II helixtrans-80.2140.2176.6-68.7168.7175.678.8-14.8110.7I12 K13 G55R8-I12 HydrophobicContact CB-CB 4.46Å; R8-I12 HydrophobicContact CB-CD1 4.32Å; R8-I12 HydrophobicContact CB-CG2 4.34Å; R8-I12 HydrophobicContact CG-CG2 4.47Å; R8-K13 VanDerWaalsContact O-CE 3.26Å; R8-K13 WeakPolarHBondContact O-CE 3.48Å; R8-G55 PolarHBondContact NH2-O 3.21Å
9T95.4Very high84.6Confident76 Ų76106.2 Ų106.247%0.46653%0.528SS..PPolyproline II helixtrans-70.6162.9179.358.70000112.6T11 I12 K13T9-T11 VanDerWaalsContact C-N 3.27Å; T9-T11 PolarHBondContact O-N 2.9Å; T9-T11 PolarHBondContact OG1-OG1 3.03Å; T9-T11 VanDerWaalsContact OG1-OG1 3.11Å; T9-I12 PolarHBondContact O-N 3.45Å; T9-I12 WeakPolarHBondContact OG1-CD1 3.2Å; T9-K13 PolarHBondContact O-N 3.36Å
10K95Very high85Confident180 Ų180100.9 Ų100.978%0.78350%0.502SS*.Hα-helixtrans-58.6-34-179.563.5-176.8177.7-177.80113.7K13 K14K10-K13 PolarHBondContact O-N 3.31Å; K10-K14 VanDerWaalsContact O-CB 3.28Å; K10-K14 WeakPolarHBondContact O-CB 3.21Å; K10-K14 PolarHBondContact O-N 3.48Å
11T94.9Very high85.3Confident88 Ų8898.6 Ų98.654%0.5449%0.492SS..Hα-helixtrans-62.2-47178.752.30000111.5T9 K13 K14 A15T9-T11 VanDerWaalsContact C-N 3.27Å; T9-T11 PolarHBondContact O-N 2.9Å; T9-T11 PolarHBondContact OG1-OG1 3.03Å; T9-T11 VanDerWaalsContact OG1-OG1 3.11Å; T11-K13 PolarHBondContact O-N 2.86Å; T11-K14 PolarHBondContact O-N 3.34Å; T11-A15 VanDerWaalsContact O-CB 3.31Å; T11-A15 WeakPolarHBondContact O-CB 3.3Å; T11-A15 PolarHBondContact O-N 3.06Å
12I95.6Very high87.8Confident4 Ų494.4 Ų94.42%0.02147%0.466CS..Hα-helixtrans-62.5-46.1176.7-61.7159.2000110.2R8 T9 S16 K52 I53 F56R8-I12 HydrophobicContact CB-CB 4.46Å; R8-I12 HydrophobicContact CB-CD1 4.32Å; R8-I12 HydrophobicContact CB-CG2 4.34Å; R8-I12 HydrophobicContact CG-CG2 4.47Å; T9-I12 PolarHBondContact O-N 3.45Å; T9-I12 WeakPolarHBondContact OG1-CD1 3.2Å; I12-S16 WeakPolarHBondContact O-CB 3.1Å; I12-S16 PolarHBondContact O-N 2.66Å; I12-S16 PolarHBondContact O-OG 3Å; I12-K52 HydrophobicContact CD1-CB 3.76Å; I12-K52 HydrophobicContact CD1-CD 3.56Å; I12-K52 HydrophobicContact CD1-CG 4.26Å; I12-K52 HydrophobicContact CG1-CB 4.24Å; I12-K52 HydrophobicContact CG2-CB 4.31Å; I12-I53 HydrophobicContact CG2-CG1 4.21Å; I12-F56 HydrophobicContact CG2-CB 4.09Å
13K95Very high90.1Very high72 Ų7293.4 Ų93.431%0.31345%0.447SS..Hα-helixtrans-64.1-41.7-180-65.6-179.4177.8173.50111.9R8 T9 K10 T11 R17 F56R8-K13 VanDerWaalsContact O-CE 3.26Å; R8-K13 WeakPolarHBondContact O-CE 3.48Å; T9-K13 PolarHBondContact O-N 3.36Å; K10-K13 PolarHBondContact O-N 3.31Å; T11-K13 PolarHBondContact O-N 2.86Å; K13-R17 WeakPolarHBondContact O-CG 3.45Å; K13-R17 PolarHBondContact O-N 2.83Å; K13-R17 PolarHBondContact O-NH1 3.17Å; K13-F56 HydrophobicContact CB-CE1 3.93Å; K13-F56 HydrophobicContact CB-CZ 4.41Å; K13-F56 HydrophobicContact CD-CZ 4.47Å; K13-F56 HydrophobicContact CG-CD1 4.38Å; K13-F56 HydrophobicContact CG-CE1 3.74Å; K13-F56 HydrophobicContact CG-CZ 3.81Å
14K94.8Very high91.7Very high145 Ų14587.7 Ų87.763%0.6342%0.418SS*.Hα-helixtrans-66.4-51.9178-172176.4-179.6-179.80110.7K10 T11 S16 R17 L18K10-K14 VanDerWaalsContact O-CB 3.28Å; K10-K14 WeakPolarHBondContact O-CB 3.21Å; K10-K14 PolarHBondContact O-N 3.48Å; T11-K14 PolarHBondContact O-N 3.34Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-S16 PolarHBondContact O-N 3.36Å; K14-R17 PolarHBondContact O-N 3.28Å; K14-L18 HydrophobicContact CG-CD1 4.27Å; K14-L18 WeakPolarHBondContact O-CG 3.34Å; K14-L18 PolarHBondContact O-N 3.05Å; K14-L18 VanDerWaalsContact O-N 3.13Å
15A94.6Very high92.8Very high31 Ų3181.7 Ų81.726%0.25641%0.41SS..Hα-helixtrans-58.1-45.1179.800000112.3T11 R17 L18 I19 I53T11-A15 VanDerWaalsContact O-CB 3.31Å; T11-A15 WeakPolarHBondContact O-CB 3.3Å; T11-A15 PolarHBondContact O-N 3.06Å; A15-R17 PolarHBondContact O-N 3.09Å; A15-L18 PolarHBondContact O-N 3.41Å; A15-I19 WeakPolarHBondContact O-CG1 3.5Å; A15-I19 PolarHBondContact O-N 2.88Å; A15-I53 HydrophobicContact CB-CD1 4.38Å
16S94.4Very high93.2Very high0 Ų084.6 Ų84.60%040%0.404CS..Hα-helixtrans-64.7-40.9-178.6-52.50000112.5I12 K14 L18 I19 I20 F56I12-S16 WeakPolarHBondContact O-CB 3.1Å; I12-S16 PolarHBondContact O-N 2.66Å; I12-S16 PolarHBondContact O-OG 3Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-S16 PolarHBondContact O-N 3.36Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 2.78Å; S16-I19 PolarHBondContact O-N 3.03Å; S16-I20 WeakPolarHBondContact O-CG1 3.33Å; S16-I20 PolarHBondContact O-N 2.97Å; S16-F56 WeakPolarHBondContact OG-CD1 3.49Å
17R93.9Very high93.6Very high85 Ų8576.3 Ų76.332%0.32137%0.374SS..Hα-helixtrans-63.5-41.2176-69.7-175.8-158.9104.3-11.7111.5K13 K14 A15 I19 I20 N21 L60 I72K13-R17 WeakPolarHBondContact O-CG 3.45Å; K13-R17 PolarHBondContact O-N 2.83Å; K13-R17 PolarHBondContact O-NH1 3.17Å; K14-R17 PolarHBondContact O-N 3.28Å; A15-R17 PolarHBondContact O-N 3.09Å; R17-I19 PolarHBondContact O-N 3.46Å; R17-I20 PolarHBondContact O-N 2.63Å; R17-N21 VanDerWaalsContact O-CG 3.22Å; R17-N21 PolarHBondContact O-N 2.97Å; R17-N21 PolarHBondContact O-OD1 2.9Å; R17-L60 HydrophobicContact CG-CD1 4.31Å; R17-I72 HydrophobicContact CG-CG1 4.26Å
18L93.7Very high93.7Very high89 Ų8973.2 Ų73.247%0.46636%0.355SS..Hα-helixtrans-62.1-42.2177.1-68.1173.2000112.2K14 A15 S16 I20 N21 K22K14-L18 HydrophobicContact CG-CD1 4.27Å; K14-L18 WeakPolarHBondContact O-CG 3.34Å; K14-L18 PolarHBondContact O-N 3.05Å; K14-L18 VanDerWaalsContact O-N 3.13Å; A15-L18 PolarHBondContact O-N 3.41Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 2.78Å; L18-I20 VanDerWaalsContact C-N 3.35Å; L18-N21 PolarHBondContact O-N 3.26Å; L18-K22 PolarHBondContact O-N 2.86Å
19I94.1Very high93.8Very high16 Ų1675.7 Ų75.78%0.08237%0.368CS..Hα-helixtrans-63.2-43.5176.7-66.8165.9000110.4A15 S16 R17 K22 Y23 L27 V38 I41 I53 I57A15-I19 WeakPolarHBondContact O-CG1 3.5Å; A15-I19 PolarHBondContact O-N 2.88Å; S16-I19 PolarHBondContact O-N 3.03Å; R17-I19 PolarHBondContact O-N 3.46Å; I19-K22 PolarHBondContact O-N 3.43Å; I19-Y23 PolarHBondContact O-N 3.09Å; I19-L27 HydrophobicContact CG2-CD1 4.37Å; I19-L27 HydrophobicContact CG2-CD2 4.49Å; I19-V38 HydrophobicContact CD1-CG2 4.47Å; I19-I41 HydrophobicContact CG2-CD1 4.43Å; I19-I53 HydrophobicContact CD1-CG2 3.84Å; I19-I57 HydrophobicContact CB-CD1 4.26Å; I19-I57 HydrophobicContact CD1-CD1 4.1Å; I19-I57 HydrophobicContact CG2-CD1 3.95Å
20I93.9Very high93.8Very high0 Ų075.7 Ų75.70%037%0.365CS..Hα-helixtrans-65.3-44179.8-65.5169.2000111.6S16 R17 L18 K22 Y24 L27 I57 L60 M61 I64 I72S16-I20 WeakPolarHBondContact O-CG1 3.33Å; S16-I20 PolarHBondContact O-N 2.97Å; R17-I20 PolarHBondContact O-N 2.63Å; L18-I20 VanDerWaalsContact C-N 3.35Å; I20-K22 VanDerWaalsContact C-N 3.27Å; I20-K22 PolarHBondContact O-N 3.41Å; I20-Y24 HydrophobicContact CG2-CD2 4.24Å; I20-Y24 WeakPolarHBondContact O-CB 3.46Å; I20-Y24 PolarHBondContact O-N 2.89Å; I20-Y24 VanDerWaalsContact O-N 3.1Å; I20-L27 HydrophobicContact CB-CD1 4.32Å; I20-L27 HydrophobicContact CG1-CD1 3.72Å; I20-I57 HydrophobicContact CD1-CG1 4.48Å; I20-I57 HydrophobicContact CD1-CG2 4.35Å; I20-I57 HydrophobicContact CG1-CG1 4.47Å; I20-I57 HydrophobicContact CG1-CG2 4.23Å; I20-L60 HydrophobicContact CD1-CB 3.56Å; I20-L60 HydrophobicContact CD1-CD1 3.4Å; I20-L60 VanDerWaalsContact CD1-CD1 3.4Å; I20-L60 HydrophobicContact CD1-CG 4.1Å; I20-M61 HydrophobicContact CB-CE 4.18Å; I20-M61 HydrophobicContact CD1-CE 3.59Å; I20-M61 HydrophobicContact CG1-CE 3.58Å; I20-M61 HydrophobicContact CG2-CE 3.53Å; I20-I64 HydrophobicContact CG2-CD1 4.13Å; I20-I72 HydrophobicContact CB-CG2 4.4Å; I20-I72 HydrophobicContact CD1-CD1 4.19Å; I20-I72 HydrophobicContact CG2-CD1 4.33Å; I20-I72 HydrophobicContact CG2-CG2 3.54Å
21N91.3Very high93.9Very high53 Ų5370.1 Ų70.128%0.28334%0.341SS..Hα-helixtrans-59.8-38.8179.8-70.5-3.7000112R17 L18 I72 S73R17-N21 VanDerWaalsContact O-CG 3.22Å; R17-N21 PolarHBondContact O-N 2.97Å; R17-N21 PolarHBondContact O-OD1 2.9Å; L18-N21 PolarHBondContact O-N 3.26Å; N21-I72 WeakPolarHBondContact OD1-CA 3.49Å; N21-I72 VanDerWaalsContact OD1-CG2 3.31Å; N21-I72 WeakPolarHBondContact OD1-CG2 3.17Å; N21-S73 PolarHBondContact OD1-N 3.11Å; N21-S73 VanDerWaalsContact OD1-N 3.13Å
22K91.9Very high94Very high156 Ų15671.3 Ų71.368%0.67834%0.34SS*.Hα-helixtrans-86.4-37.9-176.5-67.9-174.7177.7-170.40113.5L18 I19 I20L18-K22 PolarHBondContact O-N 2.86Å; I19-K22 PolarHBondContact O-N 3.43Å; I20-K22 VanDerWaalsContact C-N 3.27Å; I20-K22 PolarHBondContact O-N 3.41Å
23Y93.4Very high94.1Very high85 Ų8573.7 Ų73.733%0.33336%0.355SS..Hα-helixtrans-125.331.5-166.9-57.6-77.9000113.3I19 P25 K26 L27 I41I19-Y23 PolarHBondContact O-N 3.09Å; Y23-P25 VanDerWaalsContact C-CD 3.43Å; Y23-K26 HydrophobicContact CD1-CD 4.27Å; Y23-K26 PolarHBondContact O-N 3.14Å; Y23-K26 VanDerWaalsContact O-N 3.13Å; Y23-L27 WeakPolarHBondContact O-CG 3.39Å; Y23-I41 HydrophobicContact CD1-CD1 4.29Å; Y23-I41 HydrophobicContact CD2-CD1 3.92Å; Y23-I41 HydrophobicContact CD2-CG1 4.43Å; Y23-I41 HydrophobicContact CD2-CG2 3.63Å; Y23-I41 HydrophobicContact CE2-CG2 3.41Å; Y23-I41 VanDerWaalsContact CE2-CG2 3.41Å; Y23-I41 HydrophobicContact CG-CD1 3.76Å; Y23-I41 HydrophobicContact CG-CG1 4.46Å; Y23-I41 HydrophobicContact CG-CG2 4.44Å
24Y91.7Very high94.1Very high74 Ų7470.2 Ų70.229%0.2934%0.34SS..G310 helixtrans-44.8-50.6175.6-175.2-106.6000114.8I20 K26 L27 M61 I64 I74 L76I20-Y24 HydrophobicContact CG2-CD2 4.24Å; I20-Y24 WeakPolarHBondContact O-CB 3.46Å; I20-Y24 PolarHBondContact O-N 2.89Å; I20-Y24 VanDerWaalsContact O-N 3.1Å; Y24-K26 PolarHBondContact O-N 3.11Å; Y24-K26 VanDerWaalsContact O-N 3.11Å; Y24-L27 PolarHBondContact O-N 3.35Å; Y24-L27 VanDerWaalsContact O-N 3.12Å; Y24-M61 HydrophobicContact CD2-CE 4.21Å; Y24-M61 HydrophobicContact CD2-SD 4.39Å; Y24-M61 HydrophobicContact CE2-CE 4.25Å; Y24-M61 HydrophobicContact CE2-SD 4.05Å; Y24-I64 HydrophobicContact CE2-CD1 4.29Å; Y24-I64 HydrophobicContact CE2-CG2 4.24Å; Y24-I74 HydrophobicContact CD1-CG2 3.77Å; Y24-I74 HydrophobicContact CD2-CD1 3.75Å; Y24-I74 HydrophobicContact CD2-CG1 4.08Å; Y24-I74 HydrophobicContact CD2-CG2 4.47Å; Y24-I74 HydrophobicContact CE1-CD1 4.48Å; Y24-I74 HydrophobicContact CE1-CG2 4.14Å; Y24-I74 HydrophobicContact CE2-CD1 3.54Å; Y24-I74 HydrophobicContact CE2-CG1 4.37Å; Y24-I74 HydrophobicContact CG-CD1 4.31Å; Y24-I74 HydrophobicContact CG-CG1 4.32Å; Y24-I74 HydrophobicContact CG-CG2 3.95Å; Y24-L76 HydrophobicContact CD1-CD1 4.27Å; Y24-L76 HydrophobicContact CE1-CD1 4.08Å
25P91.8Very high94.2Very high119 Ų11966.1 Ų66.177%0.77332%0.322SS*.G310 helixtrans-67.8-16.6-174.327.2-36.4000114Y23Y23-P25 VanDerWaalsContact C-CD 3.43Å
26K92Very high94.3Very high129 Ų12973 Ų7356%0.56134%0.342SS*.G310 helixtrans-87.3-17.5178.7-62.1-170.6176.5-170.90112.7Y23 Y24 I37Y23-K26 HydrophobicContact CD1-CD 4.27Å; Y23-K26 PolarHBondContact O-N 3.14Å; Y23-K26 VanDerWaalsContact O-N 3.13Å; Y24-K26 PolarHBondContact O-N 3.11Å; Y24-K26 VanDerWaalsContact O-N 3.11Å; K26-I37 WeakPolarHBondContact O-CD1 3.49Å
27L93.4Very high94.3Very high18 Ų1874.2 Ų74.29%0.09435%0.348CS..  trans-87.7147.6-171.7-65.1172.4000111.7I19 I20 Y23 Y24 I37 I57 M61I19-L27 HydrophobicContact CG2-CD1 4.37Å; I19-L27 HydrophobicContact CG2-CD2 4.49Å; I20-L27 HydrophobicContact CB-CD1 4.32Å; I20-L27 HydrophobicContact CG1-CD1 3.72Å; Y23-L27 WeakPolarHBondContact O-CG 3.39Å; Y24-L27 PolarHBondContact O-N 3.35Å; Y24-L27 VanDerWaalsContact O-N 3.12Å; L27-I37 HydrophobicContact CD2-CG2 4.04Å; L27-I57 HydrophobicContact CD1-CG2 3.86Å; L27-I57 HydrophobicContact CD2-CG2 3.99Å; L27-I57 HydrophobicContact CG-CG2 4.39Å; L27-M61 HydrophobicContact CB-SD 4.23Å; L27-M61 HydrophobicContact CD1-CE 4.13Å
28T94.5Very high94.4Very high56 Ų5670.1 Ų70.134%0.34433%0.332SS..  trans-124.5179.3-179.463.20000111.2T33 N34T28-T33 PolarHBondContact OG1-OG1 2.76Å; T28-N34 PolarHBondContact N-OD1 2.99Å; T28-N34 PolarHBondContact O-ND2 3.04Å; T28-N34 PolarHBondContact O-OD1 3.4Å; T28-N34 PolarHBondContact OG1-OD1 3.35Å
29F94.7Very high94.5Very high113 Ų11368.7 Ų68.750%0.49633%0.325SS..SBendtrans-83.4-17.4176.1-56.4-72.9000113.7M61 Q65F29-M61 HydrophobicContact CD1-CB 3.84Å; F29-M61 HydrophobicContact CE1-CB 4.1Å; F29-Q65 HydrophobicContact CE1-CB 4.4Å
30D96Very high94.5Very high76 Ų7675.5 Ų75.541%0.40636%0.357SS..  trans-79.2150.2-178.3178.950.7000112.4H32 T33 N34 T58D30-H32 WeakPolarHBondContact OD2-CA 3.36Å; D30-H32 WeakPolarHBondContact OD2-CB 3.39Å; D30-H32 PolarHBondContact OD2-N 2.93Å; D30-T33 HydrophobicContact CB-CG2 4.38Å; D30-T33 WeakPolarHBondContact CB-OG1 3.48Å; D30-T33 PolarHBondContact O-OG1 3.44Å; D30-T33 PolarHBondContact OD2-N 3.1Å; D30-T33 VanDerWaalsContact OD2-N 3.12Å; D30-T33 PolarHBondContact OD2-OG1 3.46Å; D30-N34 WeakPolarHBondContact O-CB 3.34Å; D30-N34 PolarHBondContact O-ND2 3.32Å; D30-T58 VanDerWaalsContact O-CG2 3.29Å; D30-T58 WeakPolarHBondContact O-CG2 3.49Å
31F97.1Very high94.5Very high64 Ų6477.7 Ų77.728%0.28137%0.368SS..Hα-helixtrans-81-39.5-179.8173-103.5000112.7K35 N51 A54 T58F31-K35 HydrophobicContact CE1-CD 4.29Å; F31-K35 HydrophobicContact CZ-CD 4.33Å; F31-K35 VanDerWaalsContact O-CB 3.27Å; F31-K35 WeakPolarHBondContact O-CB 3.26Å; F31-K35 PolarHBondContact O-N 3.2Å; F31-N51 WeakPolarHBondContact CE2-O 3.33Å; F31-N51 HydrophobicContact CZ-CB 4.23Å; F31-A54 HydrophobicContact CD2-CB 4.22Å; F31-A54 HydrophobicContact CE2-CB 3.88Å; F31-T58 HydrophobicContact CB-CG2 4.29Å
32H96.8Very high94.6Very high112 Ų11276.7 Ų76.752%0.51937%0.367SS..Hα-helixtrans-72.5-39.9-172.6-70.9-97.6000111.5D30 R36D30-H32 WeakPolarHBondContact OD2-CA 3.36Å; D30-H32 WeakPolarHBondContact OD2-CB 3.39Å; D30-H32 PolarHBondContact OD2-N 2.93Å; H32-R36 PolarHBondContact O-N 3Å
33T96.4Very high94.8Very high54 Ų5476.5 Ų76.533%0.33138%0.379SS..Hα-helixtrans-61.3-53.9172.452.70000111.5T28 D30 K35 R36 I37T28-T33 PolarHBondContact OG1-OG1 2.76Å; D30-T33 HydrophobicContact CB-CG2 4.38Å; D30-T33 WeakPolarHBondContact CB-OG1 3.48Å; D30-T33 PolarHBondContact O-OG1 3.44Å; D30-T33 PolarHBondContact OD2-N 3.1Å; D30-T33 VanDerWaalsContact OD2-N 3.12Å; D30-T33 PolarHBondContact OD2-OG1 3.46Å; T33-K35 PolarHBondContact O-N 3.15Å; T33-R36 WeakPolarHBondContact O-CB 3.33Å; T33-R36 PolarHBondContact O-N 3.33Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.39Å
34N96.2Very high94.8Very high0 Ų073.5 Ų73.50%037%0.369CS..Hα-helixtrans-62.2-31.2-178.9-75-19.6000112.7T28 D30 I37 V38 T58T28-N34 PolarHBondContact N-OD1 2.99Å; T28-N34 PolarHBondContact O-ND2 3.04Å; T28-N34 PolarHBondContact O-OD1 3.4Å; T28-N34 PolarHBondContact OG1-OD1 3.35Å; D30-N34 WeakPolarHBondContact O-CB 3.34Å; D30-N34 PolarHBondContact O-ND2 3.32Å; N34-I37 PolarHBondContact O-N 3.36Å; N34-V38 WeakPolarHBondContact O-CB 3.29Å; N34-V38 WeakPolarHBondContact O-CG2 3.44Å; N34-V38 PolarHBondContact O-N 3.31Å; N34-T58 HydrophobicContact CB-CG2 4.48Å; N34-T58 VanDerWaalsContact ND2-CG2 3.33Å; N34-T58 WeakPolarHBondContact ND2-CG2 3.41Å
35K96.5Very high95Very high58 Ų5875.8 Ų75.825%0.25239%0.393SS..Hα-helixtrans-62.7-41.5174.2-177-174.769.1-175.80111.9F31 T33 D39 R50 N51 A54F31-K35 HydrophobicContact CE1-CD 4.29Å; F31-K35 HydrophobicContact CZ-CD 4.33Å; F31-K35 VanDerWaalsContact O-CB 3.27Å; F31-K35 WeakPolarHBondContact O-CB 3.26Å; F31-K35 PolarHBondContact O-N 3.2Å; T33-K35 PolarHBondContact O-N 3.15Å; K35-D39 PolarHBondContact O-N 3.27Å; K35-R50 HydrophobicContact CG-CG 4.33Å; K35-N51 WeakPolarHBondContact CD-OD1 3.47Å; K35-A54 HydrophobicContact CB-CB 4.06Å
36R96.1Very high95.1Very high176 Ų17672.1 Ų72.166%0.66437%0.37SS*.Hα-helixtrans-67.9-44.4175.7-65.3177.3179.7173.30.1110.9H32 T33 V38 D39 E40H32-R36 PolarHBondContact O-N 3Å; T33-R36 WeakPolarHBondContact O-CB 3.33Å; T33-R36 PolarHBondContact O-N 3.33Å; R36-V38 VanDerWaalsContact C-N 3.3Å; R36-V38 PolarHBondContact O-N 3.49Å; R36-D39 WeakPolarHBondContact O-CB 3.3Å; R36-D39 PolarHBondContact O-N 3.43Å; R36-E40 PolarHBondContact O-N 3.45Å; R36-E40 VanDerWaalsContact O-N 3.15Å
37I95.9Very high95.3Very high25 Ų2573.5 Ų73.513%0.12838%0.376CS..Hα-helixtrans-59.8-40177.3-65.3158.7000111.7K26 L27 T33 N34 D39 E40 I41K26-I37 WeakPolarHBondContact O-CD1 3.49Å; L27-I37 HydrophobicContact CD2-CG2 4.04Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.39Å; N34-I37 PolarHBondContact O-N 3.36Å; I37-D39 VanDerWaalsContact C-N 3.27Å; I37-D39 PolarHBondContact O-N 2.87Å; I37-E40 PolarHBondContact O-N 3.45Å; I37-I41 HydrophobicContact CG2-CD1 3.36Å; I37-I41 HydrophobicContact CG2-CG1 4.18Å; I37-I41 WeakPolarHBondContact O-CB 3.34Å; I37-I41 VanDerWaalsContact O-CG1 3.23Å; I37-I41 WeakPolarHBondContact O-CG1 3.24Å; I37-I41 PolarHBondContact O-N 3.23Å
38V96.4Very high95.4Very high0 Ų080.8 Ų80.80%041%0.407CS..Hα-helixtrans-64.4-33.2176.5169.90000111.9I19 N34 R36 A42 V44 R50 I53 A54 I57I19-V38 HydrophobicContact CD1-CG2 4.47Å; N34-V38 WeakPolarHBondContact O-CB 3.29Å; N34-V38 WeakPolarHBondContact O-CG2 3.44Å; N34-V38 PolarHBondContact O-N 3.31Å; R36-V38 VanDerWaalsContact C-N 3.3Å; R36-V38 PolarHBondContact O-N 3.49Å; V38-A42 PolarHBondContact O-N 2.96Å; V38-V44 HydrophobicContact CG1-CG2 4.19Å; V38-R50 HydrophobicContact CG1-CG 4.36Å; V38-I53 HydrophobicContact CG1-CG2 4.19Å; V38-I53 HydrophobicContact CG2-CG2 4.29Å; V38-A54 HydrophobicContact CG2-CB 4.41Å; V38-I57 HydrophobicContact CG2-CD1 3.62Å
39D95Very high95.5Very high58 Ų5881.2 Ų81.231%0.3141%0.407SS..Hα-helixtrans-69.7-35.1176.7-72.9-24.9000112.6K35 R36 I37 R50K35-D39 PolarHBondContact O-N 3.27Å; R36-D39 WeakPolarHBondContact O-CB 3.3Å; R36-D39 PolarHBondContact O-N 3.43Å; I37-D39 VanDerWaalsContact C-N 3.27Å; I37-D39 PolarHBondContact O-N 2.87Å; D39-R50 VanDerWaalsContact CG-CD 3.48Å; D39-R50 VanDerWaalsContact CG-NH1 3.27Å; D39-R50 WeakPolarHBondContact OD1-CD 3.31Å; D39-R50 WeakPolarHBondContact OD1-CG 3.36Å; D39-R50 IonicContact OD1-CZ 3.46Å; D39-R50 IonicContact OD1-NE 2.64Å; D39-R50 PolarHBondContact OD1-NE 2.84Å; D39-R50 IonicContact OD1-NH1 3.25Å; D39-R50 PolarHBondContact OD1-NH1 2.97Å; D39-R50 IonicContact OD1-NH2 3.23Å; D39-R50 PolarHBondContact OD1-NH2 3.17Å; D39-R50 WeakPolarHBondContact OD2-CD 3.3Å; D39-R50 IonicContact OD2-CZ 2.86Å; D39-R50 VanDerWaalsContact OD2-CZ 3.23Å; D39-R50 IonicContact OD2-NE 3.49Å; D39-R50 PolarHBondContact OD2-NE 2.91Å; D39-R50 IonicContact OD2-NH1 2.68Å; D39-R50 PolarHBondContact OD2-NH1 2.84Å
40E94.8Very high95.5Very high160 Ų16079.2 Ų79.275%0.74840%0.396SS*.Hα-helixtrans-73.8-37.6176.3-66.9167.7-162.400111.9R36 I37R36-E40 PolarHBondContact O-N 3.45Å; R36-E40 VanDerWaalsContact O-N 3.15Å; I37-E40 PolarHBondContact O-N 3.45Å
41I93.9Very high95.5Very high46 Ų4678.1 Ų78.124%0.23639%0.39CS..Hα-helixtrans-82.8-35.4-175-66.6171.7000112.4I19 Y23 I37I19-I41 HydrophobicContact CG2-CD1 4.43Å; Y23-I41 HydrophobicContact CD1-CD1 4.29Å; Y23-I41 HydrophobicContact CD2-CD1 3.92Å; Y23-I41 HydrophobicContact CD2-CG1 4.43Å; Y23-I41 HydrophobicContact CD2-CG2 3.63Å; Y23-I41 HydrophobicContact CE2-CG2 3.41Å; Y23-I41 VanDerWaalsContact CE2-CG2 3.41Å; Y23-I41 HydrophobicContact CG-CD1 3.76Å; Y23-I41 HydrophobicContact CG-CG1 4.46Å; Y23-I41 HydrophobicContact CG-CG2 4.44Å; I37-I41 HydrophobicContact CG2-CD1 3.36Å; I37-I41 HydrophobicContact CG2-CG1 4.18Å; I37-I41 WeakPolarHBondContact O-CB 3.34Å; I37-I41 VanDerWaalsContact O-CG1 3.23Å; I37-I41 WeakPolarHBondContact O-CG1 3.24Å; I37-I41 PolarHBondContact O-N 3.23Å
42A92.9Very high95.5Very high31 Ų3179.6 Ų79.626%0.25640%0.396SS..  trans-136.1134.6-16800000112.8V38 V44V38-A42 PolarHBondContact O-N 2.96Å; A42-V44 HydrophobicContact CB-CG2 4.11Å; A42-V44 PolarHBondContact O-N 3.5Å
43V94.9Very high95.5Very high153 Ų15374.9 Ų74.993%0.92738%0.375SS*.  trans-74.694.2170.2-175.70000108.9
44V94.4Very high95.5Very high22 Ų2272.3 Ų72.313%0.13336%0.359CS..  trans-102.9117.9177.1-175.70000109.8V38 A42 S46 L49 R50 I53V38-V44 HydrophobicContact CG1-CG2 4.19Å; A42-V44 HydrophobicContact CB-CG2 4.11Å; A42-V44 PolarHBondContact O-N 3.5Å; V44-S46 VanDerWaalsContact C-N 3.35Å; V44-S46 PolarHBondContact O-N 3.09Å; V44-L49 HydrophobicContact CG1-CB 3.76Å; V44-R50 HydrophobicContact CB-CB 4.32Å; V44-R50 HydrophobicContact CG1-CB 3.98Å; V44-I53 HydrophobicContact CG1-CD1 4.43Å; V44-I53 HydrophobicContact CG2-CD1 4.22Å
45P95Very high95.5Very high121 Ų12172.9 Ų72.979%0.78637%0.365SS*.SBendtrans-70.7-27.7-168.426.5-35.8000113.8L49P45-L49 HydrophobicContact CG-CD1 4.48Å
46S95.5Very high95.4Very high43 Ų4370.9 Ų70.930%0.30136%0.356SS..  trans-124.1139.1-177.670.90000113.3V44 K48 L49 R50V44-S46 VanDerWaalsContact C-N 3.35Å; V44-S46 PolarHBondContact O-N 3.09Å; S46-K48 PolarHBondContact O-N 2.97Å; S46-L49 PolarHBondContact O-N 3.35Å; S46-L49 VanDerWaalsContact O-N 3.08Å; S46-L49 WeakPolarHBondContact OG-CB 3.4Å; S46-L49 VanDerWaalsContact OG-CD1 3.31Å; S46-L49 WeakPolarHBondContact OG-CD1 3.41Å; S46-L49 WeakPolarHBondContact OG-CG 3.48Å; S46-L49 PolarHBondContact OG-N 3.39Å; S46-R50 PolarHBondContact O-N 3.2Å; S46-R50 VanDerWaalsContact O-N 3.13Å
47K95.5Very high95.4Very high157 Ų15762.5 Ų62.568%0.68332%0.324SS*.Hα-helixtrans-52.5-39.6173.5-176179.4-178177.60112.2N51K47-N51 WeakPolarHBondContact O-CB 3.38Å; K47-N51 PolarHBondContact O-N 3.41Å; K47-N51 VanDerWaalsContact O-N 3.12Å; K47-N51 PolarHBondContact O-ND2 3.05Å; K47-N51 PolarHBondContact O-OD1 3.24Å
48K95.3Very high95.4Very high171 Ų17162.1 Ų62.174%0.74332%0.324SS*.Hα-helixtrans-65.1-40.3179.1-71.6-176.5178.91740112S46 K52S46-K48 PolarHBondContact O-N 2.97Å; K48-K52 WeakPolarHBondContact O-CG 3.41Å; K48-K52 PolarHBondContact O-N 3.34Å
49L95.6Very high95.3Very high65 Ų6566.3 Ų66.334%0.3434%0.343SS..Hα-helixtrans-69.9-45.5179-71.9175.1000111.6V44 P45 S46 N51 K52 I53V44-L49 HydrophobicContact CG1-CB 3.76Å; P45-L49 HydrophobicContact CG-CD1 4.48Å; S46-L49 PolarHBondContact O-N 3.35Å; S46-L49 VanDerWaalsContact O-N 3.08Å; S46-L49 WeakPolarHBondContact OG-CB 3.4Å; S46-L49 VanDerWaalsContact OG-CD1 3.31Å; S46-L49 WeakPolarHBondContact OG-CD1 3.41Å; S46-L49 WeakPolarHBondContact OG-CG 3.48Å; S46-L49 PolarHBondContact OG-N 3.39Å; L49-N51 VanDerWaalsContact C-N 3.33Å; L49-N51 PolarHBondContact O-N 3.36Å; L49-K52 PolarHBondContact O-N 3.11Å; L49-K52 VanDerWaalsContact O-N 3.08Å; L49-I53 WeakPolarHBondContact O-CG1 3.49Å; L49-I53 PolarHBondContact O-N 2.86Å
50R96.2Very high95.3Very high71 Ų7163.5 Ų63.527%0.26833%0.328SS..Hα-helixtrans-53.1-49.7175.6177.6-161.4-54.9-162.5-4112K35 V38 D39 V44 S46 K52 I53 A54K35-R50 HydrophobicContact CG-CG 4.33Å; V38-R50 HydrophobicContact CG1-CG 4.36Å; D39-R50 VanDerWaalsContact CG-CD 3.48Å; D39-R50 VanDerWaalsContact CG-NH1 3.27Å; D39-R50 WeakPolarHBondContact OD1-CD 3.31Å; D39-R50 WeakPolarHBondContact OD1-CG 3.36Å; D39-R50 IonicContact OD1-CZ 3.46Å; D39-R50 IonicContact OD1-NE 2.64Å; D39-R50 PolarHBondContact OD1-NE 2.84Å; D39-R50 IonicContact OD1-NH1 3.25Å; D39-R50 PolarHBondContact OD1-NH1 2.97Å; D39-R50 IonicContact OD1-NH2 3.23Å; D39-R50 PolarHBondContact OD1-NH2 3.17Å; D39-R50 WeakPolarHBondContact OD2-CD 3.3Å; D39-R50 IonicContact OD2-CZ 2.86Å; D39-R50 VanDerWaalsContact OD2-CZ 3.23Å; D39-R50 IonicContact OD2-NE 3.49Å; D39-R50 PolarHBondContact OD2-NE 2.91Å; D39-R50 IonicContact OD2-NH1 2.68Å; D39-R50 PolarHBondContact OD2-NH1 2.84Å; V44-R50 HydrophobicContact CB-CB 4.32Å; V44-R50 HydrophobicContact CG1-CB 3.98Å; S46-R50 PolarHBondContact O-N 3.2Å; S46-R50 VanDerWaalsContact O-N 3.13Å; R50-K52 VanDerWaalsContact C-N 3.31Å; R50-K52 PolarHBondContact O-N 3.25Å; R50-I53 PolarHBondContact O-N 3.48Å; R50-A54 WeakPolarHBondContact O-CB 3.47Å; R50-A54 PolarHBondContact O-N 3.38Å
51N96.2Very high95.3Very high53 Ų5356.3 Ų56.328%0.28329%0.294SS..Hα-helixtrans-62.8-37178.7-69.3-6.8000112.3F31 K35 K47 L49 G55F31-N51 WeakPolarHBondContact CE2-O 3.33Å; F31-N51 HydrophobicContact CZ-CB 4.23Å; K35-N51 WeakPolarHBondContact CD-OD1 3.47Å; K47-N51 WeakPolarHBondContact O-CB 3.38Å; K47-N51 PolarHBondContact O-N 3.41Å; K47-N51 VanDerWaalsContact O-N 3.12Å; K47-N51 PolarHBondContact O-ND2 3.05Å; K47-N51 PolarHBondContact O-OD1 3.24Å; L49-N51 VanDerWaalsContact C-N 3.33Å; L49-N51 PolarHBondContact O-N 3.36Å; N51-G55 PolarHBondContact O-N 3.13Å
52K95.9Very high95.2Very high95 Ų9559.9 Ų59.941%0.41331%0.308SS..Hα-helixtrans-69.5-36.9176.7-72.9179.7-175.4-177.90112.3I12 K48 L49 R50 F56I12-K52 HydrophobicContact CD1-CB 3.76Å; I12-K52 HydrophobicContact CD1-CD 3.56Å; I12-K52 HydrophobicContact CD1-CG 4.26Å; I12-K52 HydrophobicContact CG1-CB 4.24Å; I12-K52 HydrophobicContact CG2-CB 4.31Å; K48-K52 WeakPolarHBondContact O-CG 3.41Å; K48-K52 PolarHBondContact O-N 3.34Å; L49-K52 PolarHBondContact O-N 3.11Å; L49-K52 VanDerWaalsContact O-N 3.08Å; R50-K52 VanDerWaalsContact C-N 3.31Å; R50-K52 PolarHBondContact O-N 3.25Å; K52-F56 WeakPolarHBondContact O-CB 3.44Å; K52-F56 PolarHBondContact O-N 2.94Å
53I96.4Very high95.3Very high14 Ų1463.6 Ų63.67%0.07232%0.315CS..Hα-helixtrans-67.3-56.2176.5-67.3165.6000109.7I12 A15 I19 V38 V44 L49 R50 G55 F56 I57I12-I53 HydrophobicContact CG2-CG1 4.21Å; A15-I53 HydrophobicContact CB-CD1 4.38Å; I19-I53 HydrophobicContact CD1-CG2 3.84Å; V38-I53 HydrophobicContact CG1-CG2 4.19Å; V38-I53 HydrophobicContact CG2-CG2 4.29Å; V44-I53 HydrophobicContact CG1-CD1 4.43Å; V44-I53 HydrophobicContact CG2-CD1 4.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.49Å; L49-I53 PolarHBondContact O-N 2.86Å; R50-I53 PolarHBondContact O-N 3.48Å; I53-G55 VanDerWaalsContact C-N 3.26Å; I53-G55 PolarHBondContact O-N 3.41Å; I53-F56 WeakPolarHBondContact O-CA 3.46Å; I53-F56 PolarHBondContact O-N 3.33Å; I53-I57 HydrophobicContact CG2-CD1 3.8Å; I53-I57 HydrophobicContact CG2-CG1 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.24Å; I53-I57 PolarHBondContact O-N 3.3Å
54A96.6Very high95.1Very high0 Ų057.2 Ų57.20%028%0.276CS..Hα-helixtrans-55.2-43.2177.600000111.7F31 K35 V38 R50 F56 I57 T58F31-A54 HydrophobicContact CD2-CB 4.22Å; F31-A54 HydrophobicContact CE2-CB 3.88Å; K35-A54 HydrophobicContact CB-CB 4.06Å; V38-A54 HydrophobicContact CG2-CB 4.41Å; R50-A54 WeakPolarHBondContact O-CB 3.47Å; R50-A54 PolarHBondContact O-N 3.38Å; A54-F56 VanDerWaalsContact C-N 3.28Å; A54-F56 PolarHBondContact O-N 3.33Å; A54-I57 PolarHBondContact O-N 3.28Å; A54-T58 PolarHBondContact O-N 3.48Å; A54-T58 PolarHBondContact O-OG1 2.91Å
55G96.5Very high94.8Very high11 Ų1163 Ų6311%0.11330%0.302CS..Hα-helixtrans-72.7-13.617700000114.9R8 N51 I53 T58R8-G55 PolarHBondContact NH2-O 3.21Å; N51-G55 PolarHBondContact O-N 3.13Å; I53-G55 VanDerWaalsContact C-N 3.26Å; I53-G55 PolarHBondContact O-N 3.41Å; G55-T58 PolarHBondContact O-OG1 3.34Å
56F95.6Very high94.6Very high16 Ų1666.3 Ų66.37%0.0730%0.304CS..Hα-helixtrans-90-34.9169.3-166.2-122.3000111.1I12 K13 S16 K52 I53 A54 H59 L60I12-F56 HydrophobicContact CG2-CB 4.09Å; K13-F56 HydrophobicContact CB-CE1 3.93Å; K13-F56 HydrophobicContact CB-CZ 4.41Å; K13-F56 HydrophobicContact CD-CZ 4.47Å; K13-F56 HydrophobicContact CG-CD1 4.38Å; K13-F56 HydrophobicContact CG-CE1 3.74Å; K13-F56 HydrophobicContact CG-CZ 3.81Å; S16-F56 WeakPolarHBondContact OG-CD1 3.49Å; K52-F56 WeakPolarHBondContact O-CB 3.44Å; K52-F56 PolarHBondContact O-N 2.94Å; I53-F56 WeakPolarHBondContact O-CA 3.46Å; I53-F56 PolarHBondContact O-N 3.33Å; A54-F56 VanDerWaalsContact C-N 3.28Å; A54-F56 PolarHBondContact O-N 3.33Å; F56-H59 WeakPolarHBondContact O-CB 3.31Å; F56-H59 PolarHBondContact O-N 2.9Å; F56-L60 HydrophobicContact CD1-CD1 3.87Å; F56-L60 HydrophobicContact CD1-CG 4.26Å; F56-L60 HydrophobicContact CE1-CD1 3.63Å; F56-L60 HydrophobicContact CE1-CD2 4.19Å; F56-L60 HydrophobicContact CE1-CG 4Å; F56-L60 HydrophobicContact CZ-CD1 4.28Å; F56-L60 HydrophobicContact CZ-CD2 4.01Å; F56-L60 HydrophobicContact CZ-CG 4.21Å; F56-L60 WeakPolarHBondContact O-CG 3.37Å; F56-L60 PolarHBondContact O-N 3.21Å
57I95.6Very high94.2Very high0 Ų066.1 Ų66.10%031%0.308CS..Hα-helixtrans-58-48.9173-67.7168.8000110.4I19 I20 L27 V38 I53 A54 H59 L60 M61I19-I57 HydrophobicContact CB-CD1 4.26Å; I19-I57 HydrophobicContact CD1-CD1 4.1Å; I19-I57 HydrophobicContact CG2-CD1 3.95Å; I20-I57 HydrophobicContact CD1-CG1 4.48Å; I20-I57 HydrophobicContact CD1-CG2 4.35Å; I20-I57 HydrophobicContact CG1-CG1 4.47Å; I20-I57 HydrophobicContact CG1-CG2 4.23Å; L27-I57 HydrophobicContact CD1-CG2 3.86Å; L27-I57 HydrophobicContact CD2-CG2 3.99Å; L27-I57 HydrophobicContact CG-CG2 4.39Å; V38-I57 HydrophobicContact CG2-CD1 3.62Å; I53-I57 HydrophobicContact CG2-CD1 3.8Å; I53-I57 HydrophobicContact CG2-CG1 4.41Å; I53-I57 WeakPolarHBondContact O-CG1 3.24Å; I53-I57 PolarHBondContact O-N 3.3Å; A54-I57 PolarHBondContact O-N 3.28Å; I57-H59 VanDerWaalsContact C-N 3.27Å; I57-H59 PolarHBondContact O-N 3.07Å; I57-L60 CarbonylContact O-C 3.58Å; I57-L60 WeakPolarHBondContact O-CA 3.33Å; I57-L60 WeakPolarHBondContact O-CB 3.49Å; I57-L60 PolarHBondContact O-N 3.04Å; I57-M61 HydrophobicContact CG2-CG 4.32Å; I57-M61 WeakPolarHBondContact O-CG 3.49Å; I57-M61 PolarHBondContact O-N 3.06Å
58T96.1Very high93.8Very high18 Ų1863.6 Ų63.611%0.1131%0.311CS..Hα-helixtrans-58.7-39.6176.254.60000112.6D30 F31 N34 A54 G55 L60 M61 K62D30-T58 VanDerWaalsContact O-CG2 3.29Å; D30-T58 WeakPolarHBondContact O-CG2 3.49Å; F31-T58 HydrophobicContact CB-CG2 4.29Å; N34-T58 HydrophobicContact CB-CG2 4.48Å; N34-T58 VanDerWaalsContact ND2-CG2 3.33Å; N34-T58 WeakPolarHBondContact ND2-CG2 3.41Å; A54-T58 PolarHBondContact O-N 3.48Å; A54-T58 PolarHBondContact O-OG1 2.91Å; G55-T58 PolarHBondContact O-OG1 3.34Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-L60 PolarHBondContact O-N 3.05Å; T58-M61 PolarHBondContact O-N 3.28Å; T58-K62 WeakPolarHBondContact O-CG 3.33Å; T58-K62 PolarHBondContact O-N 2.88Å; T58-K62 VanDerWaalsContact O-N 3.09Å
59H94Very high93.5Very high87 Ų8756.1 Ų56.140%0.40328%0.279SS..Hα-helixtrans-64.3-39.4175.8-179.869.1000111.7F56 I57 R63F56-H59 WeakPolarHBondContact O-CB 3.31Å; F56-H59 PolarHBondContact O-N 2.9Å; I57-H59 VanDerWaalsContact C-N 3.27Å; I57-H59 PolarHBondContact O-N 3.07Å; H59-R63 WeakPolarHBondContact O-CG 3.45Å; H59-R63 PolarHBondContact O-N 2.72Å
60L94.9Very high93Very high0 Ų064.4 Ų64.40%031%0.306CS..Hα-helixtrans-68.5-42.7175.2-67.8179000111.9R17 I20 F56 I57 T58 K62 R63 I64 V69 I72R17-L60 HydrophobicContact CG-CD1 4.31Å; I20-L60 HydrophobicContact CD1-CB 3.56Å; I20-L60 HydrophobicContact CD1-CD1 3.4Å; I20-L60 VanDerWaalsContact CD1-CD1 3.4Å; I20-L60 HydrophobicContact CD1-CG 4.1Å; F56-L60 HydrophobicContact CD1-CD1 3.87Å; F56-L60 HydrophobicContact CD1-CG 4.26Å; F56-L60 HydrophobicContact CE1-CD1 3.63Å; F56-L60 HydrophobicContact CE1-CD2 4.19Å; F56-L60 HydrophobicContact CE1-CG 4Å; F56-L60 HydrophobicContact CZ-CD1 4.28Å; F56-L60 HydrophobicContact CZ-CD2 4.01Å; F56-L60 HydrophobicContact CZ-CG 4.21Å; F56-L60 WeakPolarHBondContact O-CG 3.37Å; F56-L60 PolarHBondContact O-N 3.21Å; I57-L60 CarbonylContact O-C 3.58Å; I57-L60 WeakPolarHBondContact O-CA 3.33Å; I57-L60 WeakPolarHBondContact O-CB 3.49Å; I57-L60 PolarHBondContact O-N 3.04Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-L60 PolarHBondContact O-N 3.05Å; L60-K62 VanDerWaalsContact C-N 3.32Å; L60-K62 PolarHBondContact O-N 2.91Å; L60-R63 WeakPolarHBondContact O-CA 3.29Å; L60-R63 WeakPolarHBondContact O-CB 3.39Å; L60-R63 PolarHBondContact O-N 3.27Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 3.13Å; L60-V69 HydrophobicContact CD2-CG1 4.2Å; L60-I72 HydrophobicContact CB-CD1 4.33Å; L60-I72 HydrophobicContact CD1-CD1 4.1Å; L60-I72 HydrophobicContact CD2-CD1 4.37Å
61M93.9Very high92.4Very high8 Ų864 Ų644%0.03932%0.323CS..Hα-helixtrans-56.6-45.2176-70.4-59.4113.500111.9I20 Y24 L27 F29 I57 T58 R63 I64 Q65I20-M61 HydrophobicContact CB-CE 4.18Å; I20-M61 HydrophobicContact CD1-CE 3.59Å; I20-M61 HydrophobicContact CG1-CE 3.58Å; I20-M61 HydrophobicContact CG2-CE 3.53Å; Y24-M61 HydrophobicContact CD2-CE 4.21Å; Y24-M61 HydrophobicContact CD2-SD 4.39Å; Y24-M61 HydrophobicContact CE2-CE 4.25Å; Y24-M61 HydrophobicContact CE2-SD 4.05Å; L27-M61 HydrophobicContact CB-SD 4.23Å; L27-M61 HydrophobicContact CD1-CE 4.13Å; F29-M61 HydrophobicContact CD1-CB 3.84Å; F29-M61 HydrophobicContact CE1-CB 4.1Å; I57-M61 HydrophobicContact CG2-CG 4.32Å; I57-M61 WeakPolarHBondContact O-CG 3.49Å; I57-M61 PolarHBondContact O-N 3.06Å; T58-M61 PolarHBondContact O-N 3.28Å; M61-R63 PolarHBondContact O-N 3.46Å; M61-I64 HydrophobicContact CE-CD1 3.46Å; M61-I64 VanDerWaalsContact CE-CD1 3.46Å; M61-I64 PolarHBondContact O-N 2.99Å; M61-I64 HydrophobicContact SD-CD1 4.27Å; M61-Q65 PolarHBondContact O-N 3.12Å; M61-Q65 VanDerWaalsContact O-N 3.15Å
62K93.1Very high91.8Very high121 Ų12162 Ų6253%0.52631%0.313SS..Hα-helixtrans-63.4-24.6175.5-70.1-178.9-179.8-170.20113.7T58 L60T58-K62 WeakPolarHBondContact O-CG 3.33Å; T58-K62 PolarHBondContact O-N 2.88Å; T58-K62 VanDerWaalsContact O-N 3.09Å; L60-K62 VanDerWaalsContact C-N 3.32Å; L60-K62 PolarHBondContact O-N 2.91Å
63R93.8Very high91.1Very high109 Ų10961 Ų6141%0.41132%0.318SS..Hα-helixtrans-82.6-38.5174.1-68.5-162.8-55.9171.84.9112H59 L60 M61 Q65 K66 G67 V69H59-R63 WeakPolarHBondContact O-CG 3.45Å; H59-R63 PolarHBondContact O-N 2.72Å; L60-R63 WeakPolarHBondContact O-CA 3.29Å; L60-R63 WeakPolarHBondContact O-CB 3.39Å; L60-R63 PolarHBondContact O-N 3.27Å; M61-R63 PolarHBondContact O-N 3.46Å; R63-Q65 PolarHBondContact O-N 3.12Å; R63-K66 PolarHBondContact O-N 2.91Å; R63-G67 PolarHBondContact O-N 3.27Å; R63-V69 HydrophobicContact CB-CG2 3.58Å
64I91.3Very high90.4Very high20 Ų2060.9 Ų60.910%0.10332%0.317CS..Hα-helixtrans-58.6-38.8176.8-66.8165000110.5I20 Y24 L60 M61 K66 G67 V69 I72 I74I20-I64 HydrophobicContact CG2-CD1 4.13Å; Y24-I64 HydrophobicContact CE2-CD1 4.29Å; Y24-I64 HydrophobicContact CE2-CG2 4.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 3.13Å; M61-I64 HydrophobicContact CE-CD1 3.46Å; M61-I64 VanDerWaalsContact CE-CD1 3.46Å; M61-I64 PolarHBondContact O-N 2.99Å; M61-I64 HydrophobicContact SD-CD1 4.27Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 3.45Å; I64-G67 CarbonylContact C-O 3.59Å; I64-G67 VanDerWaalsContact CA-O 3.31Å; I64-G67 WeakPolarHBondContact CA-O 3.42Å; I64-G67 PolarHBondContact O-N 2.95Å; I64-V69 HydrophobicContact CG1-CB 4.37Å; I64-V69 HydrophobicContact CG1-CG2 3.78Å; I64-I72 HydrophobicContact CD1-CD1 4.08Å; I64-I74 HydrophobicContact CD1-CD1 4.18Å; I64-I74 HydrophobicContact CG2-CD1 3.89Å
65Q88.1Confident89.3Confident144 Ų14469.5 Ų69.567%0.67336%0.355SS*.THydrogen-bonded Turntrans-60.4-33.7174.5-170.8-177.518.600113.3F29 M61 R63F29-Q65 HydrophobicContact CE1-CB 4.4Å; M61-Q65 PolarHBondContact O-N 3.12Å; M61-Q65 VanDerWaalsContact O-N 3.15Å; R63-Q65 PolarHBondContact O-N 3.12Å
66K90.1Very high88.3Confident190 Ų19074.1 Ų74.183%0.82638%0.376SS*.THydrogen-bonded Turntrans-86.1-21.6-178.9-65.5-175178.3-167.60113.1R63 I64R63-K66 PolarHBondContact O-N 2.91Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 3.45Å
67G87.3Confident87.3Confident38 Ų3876 Ų7639%0.39239%0.385SS..SBendtrans166.6175.8-177.300000112.7R63 I64R63-G67 PolarHBondContact O-N 3.27Å; I64-G67 CarbonylContact C-O 3.59Å; I64-G67 VanDerWaalsContact CA-O 3.31Å; I64-G67 WeakPolarHBondContact CA-O 3.42Å; I64-G67 PolarHBondContact O-N 2.95Å
68S88.3Confident86.5Confident105 Ų10580.5 Ų80.573%0.73441%0.406SS*.  trans-66.4136.8179.362.20000111.5
69V87.4Confident85.6Confident14 Ų1484 Ų849%0.08542%0.421CS..  trans-105.1127.1-179.81780000109.4L60 R63 I64 G71 I72L60-V69 HydrophobicContact CD2-CG1 4.2Å; R63-V69 HydrophobicContact CB-CG2 3.58Å; I64-V69 HydrophobicContact CG1-CB 4.37Å; I64-V69 HydrophobicContact CG1-CG2 3.78Å; V69-G71 PolarHBondContact O-N 2.69Å; V69-I72 HydrophobicContact CB-CD1 3.94Å; V69-I72 HydrophobicContact CB-CG1 4.4Å; V69-I72 HydrophobicContact CG1-CD1 3.76Å; V69-I72 HydrophobicContact CG1-CG1 4.19Å; V69-I72 PolarHBondContact O-N 3.12Å
70R86.4Confident84.9Confident239 Ų23985.6 Ų85.690%0.90243%0.429SS*.THydrogen-bonded Turntrans-55.2129.2177.9-61.7-175.5-176.4-176.80.5112
71G82.3Confident84.2Confident61 Ų6192.1 Ų92.163%0.62945%0.453SS*.THydrogen-bonded Turntrans79.218.7174.500000115.1V69V69-G71 PolarHBondContact O-N 2.69Å
72I85.1Confident83.3Confident12 Ų1296.7 Ų96.76%0.06248%0.475CS..  trans-117.4122.7167.1-56-178.3000106.2R17 I20 N21 L60 I64 V69 I74R17-I72 HydrophobicContact CG-CG1 4.26Å; I20-I72 HydrophobicContact CB-CG2 4.4Å; I20-I72 HydrophobicContact CD1-CD1 4.19Å; I20-I72 HydrophobicContact CG2-CD1 4.33Å; I20-I72 HydrophobicContact CG2-CG2 3.54Å; N21-I72 WeakPolarHBondContact OD1-CA 3.49Å; N21-I72 VanDerWaalsContact OD1-CG2 3.31Å; N21-I72 WeakPolarHBondContact OD1-CG2 3.17Å; L60-I72 HydrophobicContact CB-CD1 4.33Å; L60-I72 HydrophobicContact CD1-CD1 4.1Å; L60-I72 HydrophobicContact CD2-CD1 4.37Å; I64-I72 HydrophobicContact CD1-CD1 4.08Å; V69-I72 HydrophobicContact CB-CD1 3.94Å; V69-I72 HydrophobicContact CB-CG1 4.4Å; V69-I72 HydrophobicContact CG1-CD1 3.76Å; V69-I72 HydrophobicContact CG1-CG1 4.19Å; V69-I72 PolarHBondContact O-N 3.12Å; I72-I74 HydrophobicContact CG2-CD1 4.43Å; I72-I74 HydrophobicContact CG2-CG1 3.94Å
73S80.2Confident82.8Confident75 Ų7598.8 Ų98.852%0.52448%0.479SS..  trans-108.3101.2174.647.70000107.8N21N21-S73 PolarHBondContact OD1-N 3.11Å; N21-S73 VanDerWaalsContact OD1-N 3.13Å
74I81.4Confident82.2Confident11 Ų11101.9 Ų101.96%0.05649%0.491CS..  trans-90.9130.3170.6-55.8166.3000105.9Y24 I64 I72 L76 Q77Y24-I74 HydrophobicContact CD1-CG2 3.77Å; Y24-I74 HydrophobicContact CD2-CD1 3.75Å; Y24-I74 HydrophobicContact CD2-CG1 4.08Å; Y24-I74 HydrophobicContact CD2-CG2 4.47Å; Y24-I74 HydrophobicContact CE1-CD1 4.48Å; Y24-I74 HydrophobicContact CE1-CG2 4.14Å; Y24-I74 HydrophobicContact CE2-CD1 3.54Å; Y24-I74 HydrophobicContact CE2-CG1 4.37Å; Y24-I74 HydrophobicContact CG-CD1 4.31Å; Y24-I74 HydrophobicContact CG-CG1 4.32Å; Y24-I74 HydrophobicContact CG-CG2 3.95Å; I64-I74 HydrophobicContact CD1-CD1 4.18Å; I64-I74 HydrophobicContact CG2-CD1 3.89Å; I72-I74 HydrophobicContact CG2-CD1 4.43Å; I72-I74 HydrophobicContact CG2-CG1 3.94Å; I74-L76 HydrophobicContact CG2-CB 3.94Å; I74-L76 HydrophobicContact CG2-CD1 4.18Å; I74-L76 HydrophobicContact CG2-CG 4.32Å; I74-L76 PolarHBondContact O-N 3.29Å; I74-L76 VanDerWaalsContact O-N 3.12Å; I74-Q77 HydrophobicContact CB-CG 4.16Å; I74-Q77 WeakPolarHBondContact O-CB 3.26Å; I74-Q77 PolarHBondContact O-N 3.5Å
75K73.8Confident81.8Confident181 Ų181106.5 Ų106.579%0.78752%0.516SS*.Hα-helixtrans-51.2-39178.6-66.1-174.6175.1-1720112.6Q77 E78 E79K75-Q77 PolarHBondContact O-N 3Å; K75-E78 WeakPolarHBondContact O-CB 3.5Å; K75-E78 PolarHBondContact O-N 3.48Å; K75-E79 PolarHBondContact O-N 3.25Å
76L75.3Confident81.7Confident108 Ų108105.5 Ų105.557%0.56552%0.515SS*.Hα-helixtrans-58.3-32.5176.1-66.5162.2000113.6Y24 I74 E80Y24-L76 HydrophobicContact CD1-CD1 4.27Å; Y24-L76 HydrophobicContact CE1-CD1 4.08Å; I74-L76 HydrophobicContact CG2-CB 3.94Å; I74-L76 HydrophobicContact CG2-CD1 4.18Å; I74-L76 HydrophobicContact CG2-CG 4.32Å; I74-L76 PolarHBondContact O-N 3.29Å; I74-L76 VanDerWaalsContact O-N 3.12Å; L76-E80 PolarHBondContact O-N 3.21Å
77Q75.7Confident81.5Confident54 Ų54104 Ų10425%0.25251%0.509SS..Hα-helixtrans-73.9-29.6177.6-71.5177.3-1700112.3I74 K75 R81I74-Q77 HydrophobicContact CB-CG 4.16Å; I74-Q77 WeakPolarHBondContact O-CB 3.26Å; I74-Q77 PolarHBondContact O-N 3.5Å; K75-Q77 PolarHBondContact O-N 3Å; Q77-R81 VanDerWaalsContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.35Å; Q77-R81 PolarHBondContact O-N 2.7Å
78E77.5Confident81.4Confident95 Ų95107.8 Ų107.844%0.44452%0.524SS..Hα-helixtrans-70.9-43.9-178.4-155.563.1-151.500110.3K75 E80 R81 E82K75-E78 WeakPolarHBondContact O-CB 3.5Å; K75-E78 PolarHBondContact O-N 3.48Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 2.99Å; E78-R81 WeakPolarHBondContact O-CA 3.35Å; E78-R81 WeakPolarHBondContact O-CB 3.36Å; E78-R81 PolarHBondContact O-N 3.36Å; E78-E82 WeakPolarHBondContact O-CG 3.46Å; E78-E82 PolarHBondContact O-N 3.24Å
79E77.8Confident81.4Confident92 Ų92106 Ų10643%0.4351%0.51SS..Hα-helixtrans-61.2-39.2175.9-64.8176-16200112.4K75 R81 R83K75-E79 PolarHBondContact O-N 3.25Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R83 WeakPolarHBondContact O-CG 3.49Å; E79-R83 PolarHBondContact O-N 2.89Å; E79-R83 VanDerWaalsContact O-N 3.13Å; E79-R83 PolarHBondContact O-NH1 3.2Å; E79-R83 IonicContact OE2-NH2 3.95Å
80E78.4Confident81.3Confident120 Ų120115 Ų11556%0.56155%0.552SS**Hα-helixtrans-75.8-21.5177.5-159.9170.3-15800112.6L76 E78 R84L76-E80 PolarHBondContact O-N 3.21Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 PolarHBondContact O-N 2.99Å; E80-R84 PolarHBondContact O-NE 3.37Å
81R81Confident81.2Confident137 Ų137108.5 Ų108.552%0.51754%0.538SS..Hα-helixtrans-75.4-47170.8-168.3-175.2-161.3125.14.9110.6Q77 E78 E79 R83 R84 D85Q77-R81 VanDerWaalsContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.35Å; Q77-R81 PolarHBondContact O-N 2.7Å; E78-R81 WeakPolarHBondContact O-CA 3.35Å; E78-R81 WeakPolarHBondContact O-CB 3.36Å; E78-R81 PolarHBondContact O-N 3.36Å; E79-R81 VanDerWaalsContact C-N 3.3Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.08Å; R81-R84 PolarHBondContact O-N 2.94Å; R81-D85 PolarHBondContact O-N 3.5Å
82E76Confident81.3Confident105 Ų105109 Ų10949%0.49153%0.532SS..Hα-helixtrans-58.2-42.1177.2-73.4175.5-176.700111.6E78 R84 D85 N86E78-E82 WeakPolarHBondContact O-CG 3.46Å; E78-E82 PolarHBondContact O-N 3.24Å; E82-R84 VanDerWaalsContact C-N 3.27Å; E82-R84 PolarHBondContact O-N 3.45Å; E82-D85 PolarHBondContact O-N 3.04Å; E82-N86 VanDerWaalsContact O-CB 3.24Å; E82-N86 WeakPolarHBondContact O-CB 3.46Å; E82-N86 PolarHBondContact O-N 2.93Å; E82-N86 PolarHBondContact O-ND2 3.48Å; E82-N86 VanDerWaalsContact O-ND2 3.11Å
83R81.1Confident81.2Confident165 Ų165113 Ų11362%0.62357%0.567SS**Hα-helixtrans-61.6-33.5175-72.4-174.7-163.794.61.5113.3E79 R81E79-R83 WeakPolarHBondContact O-CG 3.49Å; E79-R83 PolarHBondContact O-N 2.89Å; E79-R83 VanDerWaalsContact O-N 3.13Å; E79-R83 PolarHBondContact O-NH1 3.2Å; E79-R83 IonicContact OE2-NH2 3.95Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.08Å
84R81Confident81.2Confident173 Ų173115.8 Ų115.865%0.65358%0.575SS**Hα-helixtrans-78.9-42.1178.4-77.4-172.8-75.1146.6-7.7112.2E80 R81 E82 N86 F87E80-R84 PolarHBondContact O-NE 3.37Å; R81-R84 PolarHBondContact O-N 2.94Å; E82-R84 VanDerWaalsContact C-N 3.27Å; E82-R84 PolarHBondContact O-N 3.45Å; R84-N86 VanDerWaalsContact C-N 3.3Å; R84-N86 PolarHBondContact O-N 3.49Å; R84-F87 VanDerWaalsContact O-CB 3.29Å; R84-F87 WeakPolarHBondContact O-CB 3.4Å; R84-F87 PolarHBondContact O-N 3.28Å
85D83Confident81Confident118 Ų118118.4 Ų118.463%0.63160%0.598SS**Hα-helixtrans-69.1-31.8-179.9-69.1-13.1000111.2R81 E82 F87R81-D85 PolarHBondContact O-N 3.5Å; E82-D85 PolarHBondContact O-N 3.04Å; D85-F87 VanDerWaalsContact C-N 3.26Å; D85-F87 PolarHBondContact O-N 3.3Å
86N86.6Confident81.2Confident122 Ų122113.4 Ų113.465%0.65258%0.583SS**THydrogen-bonded Turntrans-82.14.6175.5-66.2-28000114.1E82 R84 V88E82-N86 VanDerWaalsContact O-CB 3.24Å; E82-N86 WeakPolarHBondContact O-CB 3.46Å; E82-N86 PolarHBondContact O-N 2.93Å; E82-N86 PolarHBondContact O-ND2 3.48Å; E82-N86 VanDerWaalsContact O-ND2 3.11Å; R84-N86 VanDerWaalsContact C-N 3.3Å; R84-N86 PolarHBondContact O-N 3.49Å; N86-V88 PolarHBondContact O-N 3.22Å; N86-V88 VanDerWaalsContact O-N 3.09Å
87F86.5Confident81.2Confident158 Ų158115.3 Ų115.369%0.69359%0.594SS**  trans-71.5106.5177.7179.3-101.9000110.2R84 D85R84-F87 VanDerWaalsContact O-CB 3.29Å; R84-F87 WeakPolarHBondContact O-CB 3.4Å; R84-F87 PolarHBondContact O-N 3.28Å; D85-F87 VanDerWaalsContact C-N 3.26Å; D85-F87 PolarHBondContact O-N 3.3Å
88V84.7Confident81.3Confident119 Ų119115.5 Ų115.572%0.72160%0.601SS**  trans-103.2121172.6-177.20000108.3N86N86-V88 PolarHBondContact O-N 3.22Å; N86-V88 VanDerWaalsContact O-N 3.09Å
89P87.5Confident81.2Confident68 Ų68116.8 Ų116.844%0.44260%0.602SS.*  trans-66.5151.9175.629.2-34.7000110.8V91P89-V91 WeakPolarHBondContact CG-O 3.22Å; P89-V91 PolarHBondContact O-N 2.92Å
90E85.7Confident81.4Confident203 Ų203119.5 Ų119.595%0.94961%0.613SS**SBendtrans-59.3-35.1177.4-64.5-179.9179.700112.2
91V84.6Confident81.7Confident102 Ų102116.5 Ų116.562%0.61860%0.6SS**SBendtrans-108.1120.6175.9-175.30000108.9P89 A95P89-V91 WeakPolarHBondContact CG-O 3.22Å; P89-V91 PolarHBondContact O-N 2.92Å; V91-A95 HydrophobicContact CG1-CB 4.2Å
92S84.4Confident82.1Confident72 Ų72114.6 Ų114.650%0.50360%0.6SS.*  trans-64135.3171.7-67.90000109.6L94 A95S92-L94 PolarHBondContact O-N 3.45Å; S92-A95 WeakPolarHBondContact O-CB 3.41Å; S92-A95 PolarHBondContact O-N 3.1Å
93A82.2Confident82.7Confident96 Ų96115.6 Ų115.679%0.79361%0.605SS**THydrogen-bonded Turntrans-59.8-17.2175.200000113.4V96A93-V96 WeakPolarHBondContact O-CG2 3.19Å
94L80.5Confident83.1Confident132 Ų132113.4 Ų113.469%0.69161%0.605SS**THydrogen-bonded Turntrans-85.1-10.8174.3-56.7176.3000113.1S92 V96 Y99S92-L94 PolarHBondContact O-N 3.45Å; L94-V96 PolarHBondContact O-N 2.87Å; L94-Y99 PolarHBondContact O-OH 3.39Å
95A77.4Confident83.3Confident66 Ų66108 Ų10855%0.54559%0.592SS.*  trans-79.665.3175.800000109.7V91 S92V91-A95 HydrophobicContact CG1-CB 4.2Å; S92-A95 WeakPolarHBondContact O-CB 3.41Å; S92-A95 PolarHBondContact O-N 3.1Å
96V77.8Confident83.4Confident76 Ų76106.3 Ų106.346%0.46158%0.579SS.*  trans-107.2129.8172.9-172.20000107.5A93 L94 S98A93-V96 WeakPolarHBondContact O-CG2 3.19Å; L94-V96 PolarHBondContact O-N 2.87Å; V96-S98 VanDerWaalsContact CG1-O 3.3Å; V96-S98 WeakPolarHBondContact CG1-O 3.47Å; V96-S98 PolarHBondContact O-N 3.33Å
97D76.1Confident83.3Confident149 Ų149103.5 Ų103.580%0.79757%0.568SS**SBendtrans-63.5-25.6-176.7-64.5-39.7000112.9V150D97-V150 WeakPolarHBondContact O-CG2 3.38Å
98S76.7Confident83.3Confident57 Ų57100.4 Ų100.440%0.39956%0.558SS.*  trans-138.8128.4-178.955.20000112.2V96V96-S98 VanDerWaalsContact CG1-O 3.3Å; V96-S98 WeakPolarHBondContact CG1-O 3.47Å; V96-S98 PolarHBondContact O-N 3.33Å
99Y76.9Confident83.3Confident123 Ų12398.2 Ų98.248%0.48254%0.541SS..  trans-100.2130.9173.5-66.2-85.7000110.4L94 I101 V148L94-Y99 PolarHBondContact O-OH 3.39Å; Y99-I101 PolarHBondContact O-N 3.41Å; Y99-I101 VanDerWaalsContact O-N 3.08Å; Y99-V148 WeakPolarHBondContact O-CG1 3.48Å; Y99-V148 WeakPolarHBondContact O-CG2 3.11Å
100K81.3Confident83Confident149 Ų14999.9 Ų99.965%0.64855%0.547SS*.  trans-74.497.2169.3-71.7-172.4172-172.80108.8I146 V148K100-I146 HydrophobicContact CB-CB 4.48Å; K100-I146 HydrophobicContact CB-CD1 4.16Å; K100-I146 HydrophobicContact CB-CG2 3.76Å; K100-I146 HydrophobicContact CD-CB 3.88Å; K100-I146 HydrophobicContact CD-CD1 4Å; K100-I146 HydrophobicContact CD-CG1 4.48Å; K100-I146 HydrophobicContact CD-CG2 4Å; K100-I146 HydrophobicContact CG-CB 4.07Å; K100-I146 HydrophobicContact CG-CD1 4.45Å; K100-I146 HydrophobicContact CG-CG2 3.6Å; K100-V148 HydrophobicContact CG-CG2 3.98Å
101I85.1Confident82.9Confident57 Ų5793.4 Ų93.429%0.29252%0.523SS..  trans-102.5127-179.1-55.1169.7000108.6Y99 T105 K106 L109Y99-I101 PolarHBondContact O-N 3.41Å; Y99-I101 VanDerWaalsContact O-N 3.08Å; I101-T105 HydrophobicContact CG2-CG2 3.83Å; I101-K106 HydrophobicContact CB-CG 4.16Å; I101-K106 HydrophobicContact CG2-CG 3.59Å; I101-K106 WeakPolarHBondContact O-CE 3.46Å; I101-L109 HydrophobicContact CD1-CD1 4.24Å; I101-L109 HydrophobicContact CG2-CD1 4.26Å
102D89.7Confident82.7Confident96 Ų9693.8 Ų93.851%0.51352%0.521SS..  trans-69.9156.9174.9-177.949.6000112.2D104 T105 K106D102-D104 VanDerWaalsContact C-N 3.32Å; D102-D104 PolarHBondContact O-N 3.29Å; D102-D104 PolarHBondContact OD2-N 3.02Å; D102-T105 WeakPolarHBondContact O-CB 3.42Å; D102-T105 PolarHBondContact O-N 3.2Å; D102-K106 WeakPolarHBondContact O-CG 3.38Å; D102-K106 PolarHBondContact O-N 3.02Å
103Q87.8Confident82.1Confident127 Ų12794.7 Ų94.759%0.59352%0.524SS*.Hα-helixtrans-61.9-38-175.4-171.764.61400112.6T105 K106 S107Q103-T105 VanDerWaalsContact C-N 3.29Å; Q103-T105 PolarHBondContact O-N 3.13Å; Q103-K106 PolarHBondContact O-N 3.29Å; Q103-S107 PolarHBondContact O-N 3.11Å
104D88.4Confident81.1Confident119 Ų11994.2 Ų94.264%0.63651%0.511SS*.Hα-helixtrans-69.4-31.3176.1-68.5-18.9000111.5D102 S107 M108D102-D104 VanDerWaalsContact C-N 3.32Å; D102-D104 PolarHBondContact O-N 3.29Å; D102-D104 PolarHBondContact OD2-N 3.02Å; D104-S107 WeakPolarHBondContact CA-OG 3.31Å; D104-S107 PolarHBondContact O-OG 2.91Å; D104-M108 WeakPolarHBondContact O-CB 3.28Å; D104-M108 PolarHBondContact O-N 3.38Å
105T85.4Confident79.4Confident60 Ų6093.2 Ų93.237%0.36851%0.514SS..Hα-helixtrans-73.9-34.8176.1-450000110.7I101 D102 Q103 M108 L109I101-T105 HydrophobicContact CG2-CG2 3.83Å; D102-T105 WeakPolarHBondContact O-CB 3.42Å; D102-T105 PolarHBondContact O-N 3.2Å; Q103-T105 VanDerWaalsContact C-N 3.29Å; Q103-T105 PolarHBondContact O-N 3.13Å; T105-M108 HydrophobicContact CG2-CE 3.88Å; T105-L109 VanDerWaalsContact O-CG 3.26Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 3.13Å
106K85.5Confident77.7Confident81 Ų8195.3 Ų95.335%0.35252%0.523SS..Hα-helixtrans-63.6-46.5172.1-68.9179-174.1169.20111.5I101 D102 Q103 M108 L109 D110I101-K106 HydrophobicContact CB-CG 4.16Å; I101-K106 HydrophobicContact CG2-CG 3.59Å; I101-K106 WeakPolarHBondContact O-CE 3.46Å; D102-K106 WeakPolarHBondContact O-CG 3.38Å; D102-K106 PolarHBondContact O-N 3.02Å; Q103-K106 PolarHBondContact O-N 3.29Å; K106-M108 VanDerWaalsContact C-N 3.31Å; K106-M108 PolarHBondContact O-N 3.31Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 3.39Å; K106-L109 VanDerWaalsContact O-N 3.09Å; K106-D110 VanDerWaalsContact O-CG 3.3Å; K106-D110 PolarHBondContact O-N 3.38Å
107S85.4Confident75.9Confident63 Ų6398.2 Ų98.244%0.44153%0.53SS..Hα-helixtrans-64.5-36178.866.40000112.6Q103 D104 S111Q103-S107 PolarHBondContact O-N 3.11Å; D104-S107 WeakPolarHBondContact CA-OG 3.31Å; D104-S107 PolarHBondContact O-OG 2.91Å; S107-S111 PolarHBondContact O-N 2.81Å; S107-S111 PolarHBondContact O-OG 3.34Å
108M85.3Confident74.3Confident94 Ų9499.3 Ų99.346%0.46353%0.53SS..Hα-helixtrans-62.3-44.9169.6-178.2-160.467.500111.9D104 T105 K106 S111 L112D104-M108 WeakPolarHBondContact O-CB 3.28Å; D104-M108 PolarHBondContact O-N 3.38Å; T105-M108 HydrophobicContact CG2-CE 3.88Å; K106-M108 VanDerWaalsContact C-N 3.31Å; K106-M108 PolarHBondContact O-N 3.31Å; M108-S111 WeakPolarHBondContact CA-OG 3.37Å; M108-S111 PolarHBondContact O-N 3Å; M108-S111 PolarHBondContact O-OG 3.25Å; M108-L112 WeakPolarHBondContact O-CG 3.43Å; M108-L112 PolarHBondContact O-N 2.68Å; M108-L112 VanDerWaalsContact O-N 3.11Å
109L85.7Confident72.6Confident73 Ų73104.8 Ų104.838%0.38255%0.554SS.*Hα-helixtrans-64.1-42.2177.1-72.1169.6000111.8I101 T105 K106 S111 L112 V113I101-L109 HydrophobicContact CD1-CD1 4.24Å; I101-L109 HydrophobicContact CG2-CD1 4.26Å; T105-L109 VanDerWaalsContact O-CG 3.26Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 3.13Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 3.39Å; K106-L109 VanDerWaalsContact O-N 3.09Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.22Å; L109-L112 PolarHBondContact O-N 3.46Å; L109-V113 WeakPolarHBondContact O-CG2 3.35Å; L109-V113 PolarHBondContact O-N 3.12Å
110D81.7Confident70.9Confident103 Ų103101.6 Ų101.655%0.55155%0.554SS**Hα-helixtrans-63-38.5178.1-69.8-23.4000111.7K106 V113 T114K106-D110 VanDerWaalsContact O-CG 3.3Å; K106-D110 PolarHBondContact O-N 3.38Å; D110-V113 PolarHBondContact O-N 3.13Å; D110-T114 WeakPolarHBondContact O-CB 3.35Å; D110-T114 WeakPolarHBondContact O-CG2 2.88Å; D110-T114 PolarHBondContact O-N 3.38Å; D110-T114 PolarHBondContact O-OG1 3.08Å
111S82.7Confident68.7Low66 Ų6699.8 Ų99.846%0.46256%0.559SS.*Hα-helixtrans-69.5-34.4176.141.60000113.1S107 M108 L109 T114 C115S107-S111 PolarHBondContact O-N 2.81Å; S107-S111 PolarHBondContact O-OG 3.34Å; M108-S111 WeakPolarHBondContact CA-OG 3.37Å; M108-S111 PolarHBondContact O-N 3Å; M108-S111 PolarHBondContact O-OG 3.25Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 3.22Å; S111-T114 WeakPolarHBondContact CA-OG1 3.32Å; S111-T114 PolarHBondContact O-OG1 3.25Å; S111-C115 VanDerWaalsContact O-CB 3.24Å; S111-C115 WeakPolarHBondContact O-CB 3.32Å; S111-C115 PolarHBondContact O-N 3.26Å; S111-C115 VanDerWaalsContact O-N 3.14Å
112L80.8Confident66.5Low110 Ų110105.2 Ų105.258%0.57659%0.588SS**Hα-helixtrans-68-42.5172.3-67173.1000112.1M108 L109 C116M108-L112 WeakPolarHBondContact O-CG 3.43Å; M108-L112 PolarHBondContact O-N 2.68Å; M108-L112 VanDerWaalsContact O-N 3.11Å; L109-L112 PolarHBondContact O-N 3.46Å; L112-C116 WeakPolarHBondContact O-CB 3.23Å; L112-C116 PolarHBondContact O-N 2.64Å
113V70.9Confident63.7Low91 Ų91108.2 Ų108.255%0.55260%0.599SS**Hα-helixtrans-70.9-44.1-179.2174.10000111.4L109 D110 C115 C116 F117L109-V113 WeakPolarHBondContact O-CG2 3.35Å; L109-V113 PolarHBondContact O-N 3.12Å; D110-V113 PolarHBondContact O-N 3.13Å; V113-C115 VanDerWaalsContact C-N 3.32Å; V113-C115 PolarHBondContact O-N 2.96Å; V113-C116 PolarHBondContact O-N 3.49Å; V113-C116 VanDerWaalsContact O-N 3.1Å; V113-F117 VanDerWaalsContact O-CB 3.3Å; V113-F117 WeakPolarHBondContact O-CB 3.31Å; V113-F117 PolarHBondContact O-N 3.38Å
114T61.2Low61.6Low86 Ų86109.9 Ų109.953%0.52861%0.611SS.*Hα-helixtrans-65.4-34.1177460000112.4D110 S111 C116D110-T114 WeakPolarHBondContact O-CB 3.35Å; D110-T114 WeakPolarHBondContact O-CG2 2.88Å; D110-T114 PolarHBondContact O-N 3.38Å; D110-T114 PolarHBondContact O-OG1 3.08Å; S111-T114 WeakPolarHBondContact CA-OG1 3.32Å; S111-T114 PolarHBondContact O-OG1 3.25Å; T114-C116 VanDerWaalsContact C-N 3.3Å; T114-C116 PolarHBondContact O-N 3.46Å
115C45.6Very low59.1Low111 Ų111112.1 Ų112.175%0.7562%0.615SS**Hα-helixtrans-67.9-29172.5-170.30000112.8S111 V113S111-C115 VanDerWaalsContact O-CB 3.24Å; S111-C115 WeakPolarHBondContact O-CB 3.32Å; S111-C115 PolarHBondContact O-N 3.26Å; S111-C115 VanDerWaalsContact O-N 3.14Å; V113-C115 VanDerWaalsContact C-N 3.32Å; V113-C115 PolarHBondContact O-N 2.96Å
116C40.8Very low56.5Low110 Ų110116.1 Ų116.174%0.74363%0.634SS**Hα-helixtrans-94.7-17.6-176.7-159.10000114.1L112 V113 T114L112-C116 WeakPolarHBondContact O-CB 3.23Å; L112-C116 PolarHBondContact O-N 2.64Å; V113-C116 PolarHBondContact O-N 3.49Å; V113-C116 VanDerWaalsContact O-N 3.1Å; T114-C116 VanDerWaalsContact C-N 3.3Å; T114-C116 PolarHBondContact O-N 3.46Å
117F40.6Very low54.5Low138 Ų138118.3 Ų118.361%0.60565%0.654SS**Hα-helixtrans-11710.8-168.9-142.6-94.3000115.6V113 L119 A120V113-F117 VanDerWaalsContact O-CB 3.3Å; V113-F117 WeakPolarHBondContact O-CB 3.31Å; V113-F117 PolarHBondContact O-N 3.38Å; F117-L119 PolarHBondContact O-N 3.15Å; F117-A120 HydrophobicContact CE1-CB 4.01Å; F117-A120 PolarHBondContact O-N 3.3Å
118Q42.7Very low52Low171 Ų171122 Ų12280%0.79967%0.673SS**THydrogen-bonded Turntrans-62.410.2176.8-153.777.3-24.700114.6
119L41.2Very low49.9Very low172 Ų172120.7 Ų120.790%0.90168%0.684SS**THydrogen-bonded Turntrans-103.9-0.7178.8-79.9171.5000115.4F117F117-L119 PolarHBondContact O-N 3.15Å
120A40.9Very low47.3Very low57 Ų57125.3 Ų125.347%0.47171%0.708SS.*  trans-148.696.1178.300000113.1F117 L122F117-A120 HydrophobicContact CE1-CB 4.01Å; F117-A120 PolarHBondContact O-N 3.3Å; A120-L122 PolarHBondContact O-N 3.4Å
121S34.7Very low45.2Very low110 Ų110131.8 Ų131.877%0.76973%0.725SS**  trans-41.9126.6152.6470000111.4
122L38.5Very low42.8Very low171 Ų171139.6 Ų139.690%0.89575%0.745SS**  trans-177.8130.8135.7-96.1152.7000111.4A120A120-L122 PolarHBondContact O-N 3.4Å
123Q32.3Very low40.8Very low159 Ų159142.2 Ų142.274%0.74376%0.758SS**  trans-57.9152.6175.3-54.2-158.4-41.800112.8
124I42.1Very low39.5Very low163 Ų163141.1 Ų141.184%0.83677%0.765SS**  trans-157113.6138.7-84126.3000110.5
125F36Very low38.3Very low166 Ų166146.1 Ų146.173%0.72878%0.783SS**  trans23.9122.9136.2-79.8-101.8000123.1
126N31.6Very low37.9Very low143 Ų143150.8 Ų150.877%0.76579%0.79SS**  trans15.7128134-66.1-47.3000119.9
127V42.8Very low37.5Very low127 Ų127149.3 Ų149.377%0.7779%0.794SS**  trans-128.5129.2148.1172.50000110.6
128V32.9Very low37.2Very low140 Ų140146.5 Ų146.585%0.84880%0.804SS**  trans-81137.8176.4169.40000109.6
129G42.5Very low37Very low67 Ų67143.3 Ų143.369%0.69180%0.8SS**  trans148.195.116100000115
130L31.3Very low37Very low170 Ų170141.9 Ų141.989%0.8979%0.794SS**  trans-100.4111.2171.1-173.376.5000108.3
131W37.1Very low37.2Very low239 Ų239146.1 Ų146.191%0.90581%0.809SS**  trans-113.9118.1166.7-82.292000109.2
132R32.1Very low37.2Very low231 Ų231152.1 Ų152.187%0.87281%0.814SS**  trans-103.1110.1177.9-171.6-177.5-163.6-168.25.1107.7
133L38.4Very low37Very low164 Ų164148.8 Ų148.886%0.85981%0.805SS**  trans-112.4113.9173.4-135.690.6000111.3
134G44.7Very low37.6Very low68 Ų68146.7 Ų146.770%0.70180%0.804SS**  trans48.6108142.200000119.8F136G134-F136 PolarHBondContact O-N 3.01Å
135Q35.5Very low37.3Very low191 Ų191145.8 Ų145.889%0.89380%0.801SS**  trans-58.8129.9160.7-63.3-179.24.400110.7
136F37Very low37.8Very low209 Ų209141.5 Ų141.592%0.91779%0.785SS**  trans-124.1117.2157.6-114.3-90.2000108.7G134G134-F136 PolarHBondContact O-N 3.01Å
137G32.9Very low37.9Very low80 Ų80143.3 Ų143.383%0.82579%0.788SS**  trans-72.4143.8179.200000112
138G34Very low37.8Very low78 Ų78139.8 Ų139.880%0.80477%0.767SS**  trans-178.687.3178.400000112.7
139S38.1Very low37.9Very low104 Ų104140.3 Ų140.373%0.72776%0.764SS**  trans-4124.8160.5-159.20000119.2
140N41.8Very low37.7Very low142 Ų142141.4 Ų141.476%0.75976%0.757SS**SBendtrans69.9113.4150.7-65-19.4000120.2
141N43.9Very low37.9Very low147 Ų147141.2 Ų141.279%0.78675%0.75SS**SBendtrans84.490.5152.8-65.5-22.7000118.8
142R34.6Very low37.9Very low235 Ų235139.5 Ų139.589%0.88775%0.748SS**  trans65.371.1151-63.5-172.6-76.2-171.4-4.2116.3
143S36.2Very low37.9Very low101 Ų101139.2 Ų139.271%0.70675%0.748SS**  trans-83.3102159.952.50000110D145S143-D145 PolarHBondContact O-N 3.32Å
144T44.5Very low37.9Very low116 Ų116136.6 Ų136.671%0.71274%0.743SS**  trans-83.496.3162.849.70000108.2
145D34.3Very low37.9Very low144 Ų144136.7 Ų136.777%0.7773%0.733SS**  trans-71.7122.7169.2-59.6-39.4000108.3S143S143-D145 PolarHBondContact O-N 3.32Å
146I47.1Very low38.3Very low76 Ų76138.2 Ų138.239%0.3973%0.731SS.*  trans-129.9104.1175.6-56.1173.9000108.5K100 V148K100-I146 HydrophobicContact CB-CB 4.48Å; K100-I146 HydrophobicContact CB-CD1 4.16Å; K100-I146 HydrophobicContact CB-CG2 3.76Å; K100-I146 HydrophobicContact CD-CB 3.88Å; K100-I146 HydrophobicContact CD-CD1 4Å; K100-I146 HydrophobicContact CD-CG1 4.48Å; K100-I146 HydrophobicContact CD-CG2 4Å; K100-I146 HydrophobicContact CG-CB 4.07Å; K100-I146 HydrophobicContact CG-CD1 4.45Å; K100-I146 HydrophobicContact CG-CG2 3.6Å; I146-V148 HydrophobicContact CG2-CG2 4.09Å
147E34.9Very low38.6Very low180 Ų180139.8 Ų139.884%0.84173%0.73SS**  trans-80.4140.9163.3-64.3-166.4154.800110.2
148V40.9Very low39.6Very low53 Ų53144.7 Ų144.732%0.32173%0.729SS.*  trans-131.9119.1172.9-1730000109.2Y99 K100 I146Y99-V148 WeakPolarHBondContact O-CG1 3.48Å; Y99-V148 WeakPolarHBondContact O-CG2 3.11Å; K100-V148 HydrophobicContact CG-CG2 3.98Å; I146-V148 HydrophobicContact CG2-CG2 4.09Å
149L34.3Very low40.1Very low151 Ų151148.4 Ų148.479%0.79173%0.73SS**  trans-85.7128169.9-100.7148.2000109.5F151L149-F151 HydrophobicContact CD2-CE2 4.14Å
150V37.7Very low40.3Very low91 Ų91154 Ų15455%0.55274%0.741SS**  trans-112.9117175.4-178.70000108.6D97D97-V150 WeakPolarHBondContact O-CG2 3.38Å
151F36.2Very low40.6Very low165 Ų165150.2 Ų150.272%0.72474%0.737SS**  trans-96.4128.3173.2-92.4-89.9000111.2L149L149-F151 HydrophobicContact CD2-CE2 4.14Å
152K37.2Very low40.5Very low203 Ų203155.3 Ų155.388%0.88376%0.761SS**  trans-85.7115.3176.1-173.3165.5-178.7166.70109.9
153W32.1Very low40.8Very low226 Ų226151.4 Ų151.486%0.85676%0.755SS**  trans-81.6116.2174.4-166.974.1000110.5
154S38.7Very low41.1Very low108 Ų108154 Ų15476%0.75576%0.758SS**  trans-109.4100174.4174.60000109.7R156S154-R156 PolarHBondContact O-N 2.98Å; S154-R156 VanDerWaalsContact O-N 3.17Å
155S43.4Very low40.9Very low71 Ų71156.1 Ų156.150%0.49776%0.76SS.*  trans-71.8102.8177.3-178.50000111.9R157S155-R157 PolarHBondContact O-N 3.32Å
156R43.5Very low41.3Very low223 Ų223156.8 Ų156.884%0.84276%0.759SS**  trans-82.196.2169.4-130.5-179.9-165.2179.23.7109.2S154 K158S154-R156 PolarHBondContact O-N 2.98Å; S154-R156 VanDerWaalsContact O-N 3.17Å; R156-K158 PolarHBondContact O-N 3Å
157R44.6Very low40.9Very low241 Ų241161.9 Ų161.991%0.90978%0.783SS**  trans-69.7115.7163.3-74.8-172.6-169.1163.74.1108.5S155S155-R157 PolarHBondContact O-N 3.32Å
158K53.4Low41.3Very low184 Ų184160.7 Ų160.780%0.878%0.779SS**  trans-92.2126.7165-79.1-173.2176.6-178.50109.7R156R156-K158 PolarHBondContact O-N 3Å
159N45.5Very low41.3Very low155 Ų155168.4 Ų168.483%0.82981%0.811SS**  trans21.2126.4151.9-69.1-7.3000120.8
160K42.2Very low41.9Very low221 Ų221169.7 Ų169.796%0.96181%0.813SS**  -129.1109.9126.8-77.5-170177.3-177.50108.4
161G47.7Very low42.2Very low64 Ų64176.3 Ų176.366%0.6684%0.835SS**  trans-125.8123.2160.200000106
162I42.3Very low42.8Very low254 Ų254177.3 Ų177.3100%1.30385%0.845SS**  trans59.90170.1-50.6170.6000115.6

Retrieved 162 of 162 residues in 437.9 ms (Link to these results)

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