A0A077YWZ0_TRITR Loading...

rRNA-processing protein UTP23 homolog

Involved in rRNA-processing and ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A077YWZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M64.4Low89Confident215 Ų215112.9 Ų112.9100%1.05949%0.492SS*.  0-410-71.6-155.1-8800115.4I3 R4 R5M1-I3 PolarHBondContact O-N 3.12Å; M1-R4 PolarHBondContact O-N 3.21Å; M1-R4 VanDerWaalsContact O-N 3.17Å; M1-R5 PolarHBondContact O-N 3.17Å
2K78.2Confident89.6Confident174 Ų174105.1 Ų105.176%0.75746%0.46SS*.Hα-helixtrans-50.3-44.2-176.3-65.2179.2-180176.50115R4 R5 L6K2-R4 PolarHBondContact O-N 3.22Å; K2-R5 PolarHBondContact O-N 3.24Å; K2-L6 WeakPolarHBondContact O-CG 3.38Å; K2-L6 PolarHBondContact O-N 3.35Å; K2-L6 VanDerWaalsContact O-N 3.16Å
3I86.6Confident90.2Very high121 Ų12197.1 Ų97.162%0.62143%0.425SS*.Hα-helixtrans-64.2-42-178.6-61.4170000112.1M1 R5 L6 K7M1-I3 PolarHBondContact O-N 3.12Å; I3-R5 PolarHBondContact O-N 2.99Å; I3-L6 PolarHBondContact O-N 2.8Å; I3-K7 HydrophobicContact CG2-CD 4.16Å; I3-K7 HydrophobicContact CG2-CG 4.34Å; I3-K7 WeakPolarHBondContact O-CG 3.48Å; I3-K7 PolarHBondContact O-N 2.97Å
4R90.2Very high90.6Very high208 Ų20895.9 Ų95.979%0.78543%0.425SS*.Hα-helixtrans-63.4-42.2179.4-70.3-173.8178.6-175.7-0.6111.3M1 K2 L6 K7 K8M1-R4 PolarHBondContact O-N 3.21Å; M1-R4 VanDerWaalsContact O-N 3.17Å; K2-R4 PolarHBondContact O-N 3.22Å; R4-L6 PolarHBondContact O-N 3.49Å; R4-K7 PolarHBondContact O-N 3.16Å; R4-K8 PolarHBondContact O-N 3.32Å
5R91.3Very high91Very high61 Ų6193.1 Ų93.123%0.2341%0.413CS..Hα-helixtrans-58-46175166173.5166.9-121.9-6.8111.7M1 K2 I3 K8 A9 Y52 I149 I150M1-R5 PolarHBondContact O-N 3.17Å; K2-R5 PolarHBondContact O-N 3.24Å; I3-R5 PolarHBondContact O-N 2.99Å; R5-K8 PolarHBondContact O-N 3.39Å; R5-A9 PolarHBondContact O-N 3.45Å; R5-A9 VanDerWaalsContact O-N 3.11Å; R5-Y52 HydrophobicContact CG-CD2 4.16Å; R5-Y52 HydrophobicContact CG-CE2 3.45Å; R5-Y52 VanDerWaalsContact CG-CE2 3.45Å; R5-I149 PolarHBondContact NE-O 2.96Å; R5-I149 PolarHBondContact NH2-O 3.49Å; R5-I150 HydrophobicContact CG-CG2 4.47Å
6L93Very high91.4Very high34 Ų3487.3 Ų87.318%0.17839%0.387CS..Hα-helixtrans-67.2-42.2177.6-67.1167.6000112.1K2 I3 R4 K8 A9 Q10 Y52K2-L6 WeakPolarHBondContact O-CG 3.38Å; K2-L6 PolarHBondContact O-N 3.35Å; K2-L6 VanDerWaalsContact O-N 3.16Å; I3-L6 PolarHBondContact O-N 2.8Å; R4-L6 PolarHBondContact O-N 3.49Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.06Å; L6-A9 WeakPolarHBondContact O-CB 3.15Å; L6-A9 PolarHBondContact O-N 2.91Å; L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-N 3.4Å; L6-Y52 HydrophobicContact CD2-CD2 3.97Å
7K94.1Very high91.7Very high128 Ų12891.1 Ų91.156%0.55740%0.398SS*.Hα-helixtrans-61.9-35.3174.6-73-176.4177.8-172.10112.5I3 R4 R11I3-K7 HydrophobicContact CG2-CD 4.16Å; I3-K7 HydrophobicContact CG2-CG 4.34Å; I3-K7 WeakPolarHBondContact O-CG 3.48Å; I3-K7 PolarHBondContact O-N 2.97Å; R4-K7 PolarHBondContact O-N 3.16Å; K7-R11 WeakPolarHBondContact O-CG 3.36Å; K7-R11 PolarHBondContact O-N 3Å; K7-R11 PolarHBondContact O-NE 3.44Å
8K94Very high91.9Very high78 Ų7892.8 Ų92.834%0.33941%0.413SS..Hα-helixtrans-64.7-46.8173.9-172.4-175.6-179.8-168.80110.4R4 R5 L6 Q10 R11 V12R4-K8 PolarHBondContact O-N 3.32Å; R5-K8 PolarHBondContact O-N 3.39Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.06Å; K8-Q10 PolarHBondContact O-N 3.16Å; K8-R11 PolarHBondContact O-N 3.08Å; K8-V12 WeakPolarHBondContact O-CG2 3.37Å; K8-V12 PolarHBondContact O-N 3.42Å
9A95.6Very high92.1Very high0 Ų090.1 Ų90.10%040%0.402CS..Hα-helixtrans-58.6-47.4178.500000112.6R5 L6 R11 V12 L13 Y52 F151R5-A9 PolarHBondContact O-N 3.45Å; R5-A9 VanDerWaalsContact O-N 3.11Å; L6-A9 WeakPolarHBondContact O-CB 3.15Å; L6-A9 PolarHBondContact O-N 2.91Å; A9-R11 VanDerWaalsContact C-N 3.31Å; A9-R11 PolarHBondContact O-N 3.46Å; A9-V12 PolarHBondContact O-N 3.2Å; A9-L13 WeakPolarHBondContact O-CG 3.29Å; A9-L13 PolarHBondContact O-N 3.12Å; A9-Y52 HydrophobicContact CB-CD2 4.27Å; A9-Y52 HydrophobicContact CB-CE1 4.15Å; A9-Y52 HydrophobicContact CB-CE2 3.58Å; A9-F151 HydrophobicContact CB-CD2 3.88Å; A9-F151 HydrophobicContact CB-CE2 4.03Å
10Q95.6Very high92.2Very high47 Ų4786.5 Ų86.522%0.2239%0.386CS..Hα-helixtrans-63.9-36.2178.7-64.4-57-51.200112.3L6 K8 L13 N14 L53L6-Q10 WeakPolarHBondContact O-CG 3.28Å; L6-Q10 PolarHBondContact O-N 3.4Å; K8-Q10 PolarHBondContact O-N 3.16Å; Q10-L13 PolarHBondContact O-N 3.28Å; Q10-N14 VanDerWaalsContact O-CB 3.28Å; Q10-N14 WeakPolarHBondContact O-CB 3.3Å; Q10-N14 PolarHBondContact O-N 3.39Å; Q10-N14 PolarHBondContact O-ND2 3.28Å; Q10-N14 PolarHBondContact O-OD1 2.99Å; Q10-L53 PolarHBondContact NE2-O 3.44Å
11R95.7Very high92.4Very high176 Ų17688 Ų8866%0.66440%0.397SS*.Hα-helixtrans-62.7-44.5173.4-80.5-175.2-88.7172-9.9112.4K7 K8 A9 F15K7-R11 WeakPolarHBondContact O-CG 3.36Å; K7-R11 PolarHBondContact O-N 3Å; K7-R11 PolarHBondContact O-NE 3.44Å; K8-R11 PolarHBondContact O-N 3.08Å; A9-R11 VanDerWaalsContact C-N 3.31Å; A9-R11 PolarHBondContact O-N 3.46Å; R11-F15 WeakPolarHBondContact O-CB 3.32Å; R11-F15 PolarHBondContact O-N 3.28Å
12V96.7Very high93.9Very high19 Ų1977.8 Ų77.812%0.11535%0.347CS..Hα-helixtrans-63-48.1176.5173.50000110.6K8 A9 N14 F15 L16 F151 L154K8-V12 WeakPolarHBondContact O-CG2 3.37Å; K8-V12 PolarHBondContact O-N 3.42Å; A9-V12 PolarHBondContact O-N 3.2Å; V12-N14 PolarHBondContact O-N 3.26Å; V12-F15 WeakPolarHBondContact O-CB 3.29Å; V12-F15 PolarHBondContact O-N 3.32Å; V12-L16 HydrophobicContact CG1-CD1 3.91Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.37Å; V12-L16 PolarHBondContact O-N 3.39Å; V12-F151 HydrophobicContact CB-CD2 4.35Å; V12-F151 HydrophobicContact CB-CG 4.45Å; V12-F151 HydrophobicContact CG1-CD1 4.07Å; V12-F151 HydrophobicContact CG1-CD2 4.36Å; V12-F151 HydrophobicContact CG1-CE1 4.26Å; V12-F151 HydrophobicContact CG1-CG 4.12Å; V12-F151 HydrophobicContact CG1-CZ 4.47Å; V12-F151 HydrophobicContact CG2-CB 4.49Å; V12-L154 HydrophobicContact CG1-CD1 4.24Å; V12-L154 HydrophobicContact CG1-CD2 4.3Å; V12-L154 HydrophobicContact CG1-CG 4.34Å
13L96.9Very high94.7Very high1 Ų174.4 Ų74.41%0.00534%0.341CS..Hα-helixtrans-62.4-42.5179.1-70.3176.3000112.6A9 Q10 F15 L16 R17 Y26 L53 I120 F151A9-L13 WeakPolarHBondContact O-CG 3.29Å; A9-L13 PolarHBondContact O-N 3.12Å; Q10-L13 PolarHBondContact O-N 3.28Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.45Å; L13-L16 PolarHBondContact O-N 3.38Å; L13-R17 WeakPolarHBondContact O-CB 3.42Å; L13-R17 PolarHBondContact O-N 3.31Å; L13-Y26 HydrophobicContact CD1-CE2 3.94Å; L13-Y26 HydrophobicContact CD2-CD2 4.32Å; L13-Y26 HydrophobicContact CD2-CE1 4.22Å; L13-Y26 HydrophobicContact CD2-CE2 3.8Å; L13-Y26 HydrophobicContact CG-CE2 4.42Å; L13-L53 HydrophobicContact CD1-CB 4.24Å; L13-L53 HydrophobicContact CD1-CD2 4.15Å; L13-L53 WeakPolarHBondContact CD1-O 3.41Å; L13-I120 HydrophobicContact CD2-CD1 4.36Å; L13-F151 HydrophobicContact CD2-CE2 4.18Å; L13-F151 HydrophobicContact CD2-CZ 3.74Å; L13-F151 HydrophobicContact CG-CE2 4.07Å; L13-F151 HydrophobicContact CG-CZ 4.15Å
14N96.5Very high95.1Very high80 Ų8073.9 Ų73.943%0.42833%0.334SS..Hα-helixtrans-63.5-40.9176.4-71-10.8000111.4Q10 V12 R17 N18Q10-N14 VanDerWaalsContact O-CB 3.28Å; Q10-N14 WeakPolarHBondContact O-CB 3.3Å; Q10-N14 PolarHBondContact O-N 3.39Å; Q10-N14 PolarHBondContact O-ND2 3.28Å; Q10-N14 PolarHBondContact O-OD1 2.99Å; V12-N14 PolarHBondContact O-N 3.26Å; N14-R17 PolarHBondContact O-N 2.92Å; N14-N18 WeakPolarHBondContact O-CB 3.01Å; N14-N18 PolarHBondContact O-N 3.17Å; N14-N18 PolarHBondContact O-OD1 3.33Å
15F96.8Very high95.4Very high54 Ų5466.9 Ų66.924%0.23732%0.316CS..Hα-helixtrans-60.4-46174.2173.5-91.2000111.8R11 V12 L13 N18 N19 Y20 L154 A162R11-F15 WeakPolarHBondContact O-CB 3.32Å; R11-F15 PolarHBondContact O-N 3.28Å; V12-F15 WeakPolarHBondContact O-CB 3.29Å; V12-F15 PolarHBondContact O-N 3.32Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.45Å; F15-N18 PolarHBondContact O-N 3.3Å; F15-N19 VanDerWaalsContact CD2-ND2 3.27Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.37Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.5Å; F15-N19 PolarHBondContact O-N 2.92Å; F15-N19 VanDerWaalsContact O-N 3.12Å; F15-N19 PolarHBondContact O-ND2 2.97Å; F15-Y20 HydrophobicContact CE1-CD2 4.31Å; F15-Y20 AromaticContact CE1-CE2 3.85Å; F15-Y20 HydrophobicContact CE1-CE2 3.85Å; F15-Y20 HydrophobicContact CZ-CE2 4.13Å; F15-L154 HydrophobicContact CD1-CD1 3.47Å; F15-L154 VanDerWaalsContact CD1-CD1 3.47Å; F15-L154 HydrophobicContact CE1-CD1 3.65Å; F15-L154 HydrophobicContact CG-CD1 4.45Å; F15-A162 HydrophobicContact CE2-CB 3.81Å; F15-A162 HydrophobicContact CZ-CB 3.57Å
16L96.9Very high95.7Very high0 Ų064.6 Ų64.60%031%0.307CS..Hα-helixtrans-66.7-37.2179.1-67.4169.6000112.6V12 L13 Y20 D21 F22 V138 P140 L154V12-L16 HydrophobicContact CG1-CD1 3.91Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 VanDerWaalsContact O-CG 3.3Å; V12-L16 WeakPolarHBondContact O-CG 3.37Å; V12-L16 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.38Å; L16-Y20 HydrophobicContact CD2-CD2 4.42Å; L16-Y20 CarbonylContact O-C 3.56Å; L16-Y20 WeakPolarHBondContact O-CA 3.29Å; L16-Y20 WeakPolarHBondContact O-CB 3.48Å; L16-Y20 PolarHBondContact O-N 3.22Å; L16-D21 PolarHBondContact O-N 3.03Å; L16-F22 HydrophobicContact CB-CB 3.87Å; L16-F22 HydrophobicContact CB-CD2 3.86Å; L16-F22 HydrophobicContact CB-CG 3.87Å; L16-F22 HydrophobicContact CD2-CD2 4.31Å; L16-F22 HydrophobicContact CD2-CE2 4.22Å; L16-F22 PolarHBondContact O-N 3.44Å; L16-V138 HydrophobicContact CD2-CG1 3.82Å; L16-P140 HydrophobicContact CD1-CB 3.84Å; L16-P140 HydrophobicContact CD1-CG 3.36Å; L16-P140 HydrophobicContact CD2-CG 3.91Å; L16-P140 HydrophobicContact CG-CG 4.28Å; L16-L154 HydrophobicContact CD2-CD1 4.37Å; L16-L154 HydrophobicContact CD2-CD2 4.23Å
17R96.4Very high95.9Very high152 Ų15268.4 Ų68.457%0.57432%0.319SS*.Hα-helixtrans-64.8-46.9175.5-178.8-176.4175.3-168.3-1.6111.3L13 N14 D21L13-R17 WeakPolarHBondContact O-CB 3.42Å; L13-R17 PolarHBondContact O-N 3.31Å; N14-R17 PolarHBondContact O-N 2.92Å; R17-D21 PolarHBondContact O-N 3.33Å
18N95.3Very high96.1Very high123 Ų12362.3 Ų62.366%0.65829%0.293SS*.Hα-helixtrans-75-32.4-172.1-67.6-0.5000113.4N14 F15N14-N18 WeakPolarHBondContact O-CB 3.01Å; N14-N18 PolarHBondContact O-N 3.17Å; N14-N18 PolarHBondContact O-OD1 3.33Å; F15-N18 PolarHBondContact O-N 3.3Å
19N95.2Very high96.3Very high41 Ų4158.7 Ų58.722%0.21928%0.277CS..Hα-helixtrans-103.2-24.8-175.2-59.7-72.7000113.4F15 A162F15-N19 VanDerWaalsContact CD2-ND2 3.27Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.37Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.5Å; F15-N19 PolarHBondContact O-N 2.92Å; F15-N19 VanDerWaalsContact O-N 3.12Å; F15-N19 PolarHBondContact O-ND2 2.97Å; N19-A162 HydrophobicContact CB-CB 4.2Å
20Y95.5Very high96.4Very high17 Ų1758.7 Ų58.77%0.06728%0.277CS..Hα-helixtrans-137.814.5-167.3-59.3-63.5000114.4F15 L16 F22 K118 L137 V138 C158 A162F15-Y20 HydrophobicContact CE1-CD2 4.31Å; F15-Y20 AromaticContact CE1-CE2 3.85Å; F15-Y20 HydrophobicContact CE1-CE2 3.85Å; F15-Y20 HydrophobicContact CZ-CE2 4.13Å; L16-Y20 HydrophobicContact CD2-CD2 4.42Å; L16-Y20 CarbonylContact O-C 3.56Å; L16-Y20 WeakPolarHBondContact O-CA 3.29Å; L16-Y20 WeakPolarHBondContact O-CB 3.48Å; L16-Y20 PolarHBondContact O-N 3.22Å; Y20-F22 VanDerWaalsContact C-N 3.29Å; Y20-F22 PolarHBondContact O-N 2.91Å; Y20-K118 WeakPolarHBondContact O-CD 3.25Å; Y20-K118 VanDerWaalsContact O-CE 3.24Å; Y20-K118 WeakPolarHBondContact O-CE 3.24Å; Y20-K118 PolarHBondContact O-NZ 3.43Å; Y20-L137 HydrophobicContact CE1-CD2 4.33Å; Y20-V138 HydrophobicContact CD1-CG2 3.5Å; Y20-V138 HydrophobicContact CD2-CB 4.44Å; Y20-V138 HydrophobicContact CD2-CG1 3.8Å; Y20-V138 HydrophobicContact CD2-CG2 3.77Å; Y20-V138 HydrophobicContact CE1-CG2 3.33Å; Y20-V138 HydrophobicContact CE2-CG1 4.23Å; Y20-V138 HydrophobicContact CE2-CG2 3.63Å; Y20-V138 HydrophobicContact CG-CB 4.38Å; Y20-V138 HydrophobicContact CG-CG1 4Å; Y20-V138 HydrophobicContact CG-CG2 3.69Å; Y20-C158 WeakPolarHBondContact CE2-SG 3.35Å; Y20-C158 PolarHBondContact OH-O 3.21Å; Y20-A162 HydrophobicContact CE2-CB 4.36Å
21D95Very high96.5Very high118 Ų11856.9 Ų56.963%0.63127%0.269SS*.  trans55.138.2174-52.3-51.3000114.4L16 R17 V23L16-D21 PolarHBondContact O-N 3.03Å; R17-D21 PolarHBondContact O-N 3.33Å; D21-V23 PolarHBondContact O-N 3.08Å
22F96.6Very high96.5Very high2 Ų248.7 Ų48.71%0.00924%0.239CC..  trans-72.2110.8167.5-81.6-108.3000109.4L16 Y20 Y26 K118 I120 V138 P140L16-F22 HydrophobicContact CB-CB 3.87Å; L16-F22 HydrophobicContact CB-CD2 3.86Å; L16-F22 HydrophobicContact CB-CG 3.87Å; L16-F22 HydrophobicContact CD2-CD2 4.31Å; L16-F22 HydrophobicContact CD2-CE2 4.22Å; L16-F22 PolarHBondContact O-N 3.44Å; Y20-F22 VanDerWaalsContact C-N 3.29Å; Y20-F22 PolarHBondContact O-N 2.91Å; F22-Y26 HydrophobicContact CB-CE1 4.17Å; F22-K118 HydrophobicContact CD1-CB 3.97Å; F22-K118 HydrophobicContact CD2-CB 4.36Å; F22-K118 HydrophobicContact CD2-CD 4.05Å; F22-K118 HydrophobicContact CE1-CB 3.8Å; F22-K118 VanDerWaalsContact CE1-O 3.26Å; F22-K118 WeakPolarHBondContact CE1-O 3.36Å; F22-K118 HydrophobicContact CE2-CB 4.2Å; F22-K118 HydrophobicContact CE2-CD 3.7Å; F22-K118 HydrophobicContact CE2-CG 4.47Å; F22-K118 HydrophobicContact CG-CB 4.26Å; F22-K118 HydrophobicContact CZ-CB 3.92Å; F22-K118 HydrophobicContact CZ-CD 4.11Å; F22-I120 HydrophobicContact CD1-CG1 4.3Å; F22-I120 HydrophobicContact CE1-CG1 4.09Å; F22-V138 HydrophobicContact CE2-CG1 3.75Å; F22-V138 HydrophobicContact CZ-CG1 4.17Å; F22-P140 HydrophobicContact CE1-CG 3.91Å; F22-P140 HydrophobicContact CZ-CG 4.02Å
23V95.6Very high96.5Very high103 Ų10350.1 Ų50.162%0.62425%0.248SC*.  trans-115.8151.1-178-173.20000110.6D21D21-V23 PolarHBondContact O-N 3.08Å
24K95.2Very high96.6Very high109 Ų10950.1 Ų50.147%0.47425%0.248SC..SBendtrans-71.7147.9174-55.9-178.9-173.5-172.70110.1Y26 R54 A55K24-Y26 HydrophobicContact CG-CD2 4.33Å; K24-Y26 HydrophobicContact CG-CE1 4.39Å; K24-Y26 HydrophobicContact CG-CE2 3.82Å; K24-R54 PolarHBondContact NZ-O 3.11Å; K24-A55 HydrophobicContact CD-CB 3.59Å; K24-A55 HydrophobicContact CG-CB 3.93Å
25P96.6Very high96.6Very high62 Ų6246.3 Ų46.340%0.40323%0.228SC..SBendcis-75.7134.7-2.832.2-36.6000111.7R27 D56 I58P25-R27 PolarHBondContact O-N 3.41Å; P25-D56 CarbonylContact C-O 3.41Å; P25-D56 VanDerWaalsContact CA-O 3.22Å; P25-D56 WeakPolarHBondContact CA-O 3.44Å; P25-D56 HydrophobicContact CB-CB 3.8Å; P25-I58 HydrophobicContact CB-CD1 4.17Å; P25-I58 HydrophobicContact CB-CG1 3.97Å; P25-I58 HydrophobicContact CG-CD1 3.57Å; P25-I58 HydrophobicContact CG-CG1 3.94Å
26Y97.3Very high96.7Very high12 Ų1245 Ų455%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-71133.2-176.5-63.4-59000111L13 F22 K24 L53 A55 D56 V57 I58 I120L13-Y26 HydrophobicContact CD1-CE2 3.94Å; L13-Y26 HydrophobicContact CD2-CD2 4.32Å; L13-Y26 HydrophobicContact CD2-CE1 4.22Å; L13-Y26 HydrophobicContact CD2-CE2 3.8Å; L13-Y26 HydrophobicContact CG-CE2 4.42Å; F22-Y26 HydrophobicContact CB-CE1 4.17Å; K24-Y26 HydrophobicContact CG-CD2 4.33Å; K24-Y26 HydrophobicContact CG-CE1 4.39Å; K24-Y26 HydrophobicContact CG-CE2 3.82Å; Y26-L53 HydrophobicContact CD2-CD1 4.35Å; Y26-A55 HydrophobicContact CD2-CB 3.6Å; Y26-A55 HydrophobicContact CE2-CB 3.45Å; Y26-A55 VanDerWaalsContact CE2-CB 3.45Å; Y26-D56 PolarHBondContact N-O 2.95Å; Y26-V57 CarbonylContact O-C 3.49Å; Y26-V57 WeakPolarHBondContact O-CA 3.36Å; Y26-I58 PolarHBondContact O-N 3.26Å; Y26-I120 HydrophobicContact CD1-CD1 4.34Å; Y26-I120 HydrophobicContact CG-CD1 4.2Å
27R97.3Very high96.7Very high114 Ų11448.3 Ų48.343%0.4324%0.237SC..EExtended strand (participates in β ladder)trans-91.6109179.5-62.8178.1179.7-169.50109.5P25 I58 Y119 I120P25-R27 PolarHBondContact O-N 3.41Å; R27-I58 WeakPolarHBondContact CA-O 3.49Å; R27-Y119 HydrophobicContact CB-CD1 3.77Å; R27-Y119 HydrophobicContact CB-CE1 4.09Å; R27-Y119 WeakPolarHBondContact O-CA 3.49Å; R27-I120 PolarHBondContact O-N 3.29Å
28V98.1Very high96.7Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-102.3116.3179.6179.60000109.5V30 L49 L53 V57 I58 C60 I120 A122 L142V28-V30 HydrophobicContact CG1-CG2 4.03Å; V28-L49 HydrophobicContact CB-CD1 4.47Å; V28-L49 HydrophobicContact CG1-CD1 4.09Å; V28-L53 HydrophobicContact CG2-CD1 4.46Å; V28-V57 HydrophobicContact CB-CG1 4Å; V28-V57 HydrophobicContact CG2-CG1 3.44Å; V28-V57 VanDerWaalsContact CG2-CG1 3.44Å; V28-I58 PolarHBondContact N-O 3.15Å; V28-C60 PolarHBondContact O-N 3.01Å; V28-I120 CarbonylContact C-O 3.59Å; V28-I120 WeakPolarHBondContact CA-O 3.47Å; V28-I120 HydrophobicContact CG2-CB 4.15Å; V28-I120 HydrophobicContact CG2-CG2 4.47Å; V28-A122 HydrophobicContact CG1-CB 3.81Å; V28-L142 HydrophobicContact CG1-CD1 4.16Å; V28-L142 HydrophobicContact CG2-CD1 4.25Å
29L97.6Very high96.8Very high2 Ų238.8 Ų38.81%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-83.9120.3170.8-68.3178.8000109.3C60 L89 L107 L110 I111 Y119 I120 V121 A122L29-C60 CarbonylContact C-O 3.59Å; L29-C60 WeakPolarHBondContact CA-O 3.43Å; L29-C60 HydrophobicContact CD2-CB 4.04Å; L29-L89 HydrophobicContact CD2-CD1 3.31Å; L29-L107 HydrophobicContact CD1-CD2 4.48Å; L29-L110 HydrophobicContact CD1-CD2 3.87Å; L29-L110 HydrophobicContact CD2-CD2 3.76Å; L29-I111 HydrophobicContact CD1-CG1 4.11Å; L29-Y119 HydrophobicContact CD1-CD1 3.81Å; L29-Y119 HydrophobicContact CD1-CD2 3.7Å; L29-Y119 HydrophobicContact CD1-CE1 4.34Å; L29-Y119 HydrophobicContact CD1-CE2 4.23Å; L29-Y119 HydrophobicContact CD1-CG 3.46Å; L29-Y119 VanDerWaalsContact CD1-CG 3.46Å; L29-Y119 HydrophobicContact CD2-CD1 3.79Å; L29-Y119 HydrophobicContact CD2-CE1 3.78Å; L29-Y119 HydrophobicContact CD2-CG 4.31Å; L29-Y119 HydrophobicContact CG-CD1 3.5Å; L29-Y119 HydrophobicContact CG-CD2 4.35Å; L29-Y119 HydrophobicContact CG-CE1 4.04Å; L29-Y119 HydrophobicContact CG-CG 3.68Å; L29-I120 PolarHBondContact N-O 3.37Å; L29-V121 HydrophobicContact CB-CG2 4.41Å; L29-V121 HydrophobicContact CD1-CG2 4.38Å; L29-V121 CarbonylContact O-C 3.46Å; L29-A122 PolarHBondContact O-N 2.66Å
30V98Very high96.8Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-109.1129.6179.8-1770000109.7V28 F34 C35 I59 C60 T61 F86 A122V28-V30 HydrophobicContact CG1-CG2 4.03Å; V30-F34 HydrophobicContact CG1-CB 4.22Å; V30-F34 HydrophobicContact CG1-CD1 3.81Å; V30-F34 HydrophobicContact CG1-CG 4.4Å; V30-C35 WeakPolarHBondContact CG1-SG 3.4Å; V30-I59 HydrophobicContact CB-CG2 4.42Å; V30-I59 HydrophobicContact CG2-CG2 3.43Å; V30-I59 VanDerWaalsContact CG2-CG2 3.43Å; V30-C60 PolarHBondContact N-O 3.12Å; V30-T61 PolarHBondContact O-OG1 3.33Å; V30-F86 HydrophobicContact CB-CD2 4.34Å; V30-F86 HydrophobicContact CB-CE2 4.39Å; V30-F86 HydrophobicContact CG1-CE2 4.16Å; V30-F86 HydrophobicContact CG2-CE2 4.45Å; V30-A122 HydrophobicContact CG2-CB 4.11Å
31D96.8Very high96.8Very high10 Ų1043.6 Ų43.65%0.05322%0.221CC..  trans-95176.5173.777.9-13.5000112.4T33 F34 C35 L107 A122 T123D31-T33 PolarHBondContact OD1-N 3.38Å; D31-T33 PolarHBondContact OD1-OG1 3.48Å; D31-T33 VanDerWaalsContact OD1-OG1 3.08Å; D31-T33 PolarHBondContact OD2-OG1 3.34Å; D31-F34 WeakPolarHBondContact OD1-CB 3.38Å; D31-F34 PolarHBondContact OD1-N 3.1Å; D31-C35 PolarHBondContact O-N 2.82Å; D31-C35 PolarHBondContact O-SG 3.43Å; D31-L107 HydrophobicContact CB-CD1 3.88Å; D31-A122 PolarHBondContact N-O 2.98Å; D31-T123 WeakPolarHBondContact OD1-CA 3.35Å; D31-T123 VanDerWaalsContact OD2-CB 3.22Å; D31-T123 WeakPolarHBondContact OD2-CB 3.42Å; D31-T123 PolarHBondContact OD2-OG1 2.82Å
32G96.8Very high96.9Very high4 Ų447.4 Ų47.44%0.04123%0.232CC..Hα-helixtrans-68.8-36.518000000113.4F34 C35 Q36G32-F34 VanDerWaalsContact C-N 3.35Å; G32-F34 PolarHBondContact O-N 3.49Å; G32-C35 WeakPolarHBondContact O-CB 3.38Å; G32-C35 PolarHBondContact O-N 3.19Å; G32-Q36 PolarHBondContact O-N 3.3Å
33T96.9Very high96.8Very high49 Ų4948.2 Ų48.230%0.30124%0.236SC..Hα-helixtrans-63.8-41-178.771.50000111.6D31 Q36 H37 Q124D31-T33 PolarHBondContact OD1-N 3.38Å; D31-T33 PolarHBondContact OD1-OG1 3.48Å; D31-T33 VanDerWaalsContact OD1-OG1 3.08Å; D31-T33 PolarHBondContact OD2-OG1 3.34Å; T33-Q36 PolarHBondContact O-N 2.95Å; T33-H37 PolarHBondContact O-N 3.27Å; T33-H37 PolarHBondContact O-ND1 2.91Å; T33-Q124 PolarHBondContact OG1-N 2.91Å
34F97.9Very high96.9Very high0 Ų047.5 Ų47.50%023%0.229CC..Hα-helixtrans-67-40.7176.5-170-88.8000111.8V30 D31 G32 H37 A38 I45 A122 Q124 I144 I149V30-F34 HydrophobicContact CG1-CB 4.22Å; V30-F34 HydrophobicContact CG1-CD1 3.81Å; V30-F34 HydrophobicContact CG1-CG 4.4Å; D31-F34 WeakPolarHBondContact OD1-CB 3.38Å; D31-F34 PolarHBondContact OD1-N 3.1Å; G32-F34 VanDerWaalsContact C-N 3.35Å; G32-F34 PolarHBondContact O-N 3.49Å; F34-H37 PolarHBondContact O-N 2.75Å; F34-A38 VanDerWaalsContact O-CB 3.3Å; F34-A38 WeakPolarHBondContact O-CB 3.39Å; F34-A38 PolarHBondContact O-N 3.16Å; F34-I45 HydrophobicContact CD1-CD1 4.02Å; F34-I45 HydrophobicContact CE1-CD1 4.09Å; F34-I45 HydrophobicContact CE1-CG1 4.15Å; F34-I45 HydrophobicContact CE1-CG2 4.07Å; F34-A122 WeakPolarHBondContact CB-O 3.38Å; F34-A122 HydrophobicContact CD1-CB 3.96Å; F34-A122 HydrophobicContact CD2-CB 3.8Å; F34-A122 HydrophobicContact CE1-CB 3.99Å; F34-A122 HydrophobicContact CE2-CB 3.81Å; F34-A122 HydrophobicContact CG-CB 3.86Å; F34-A122 HydrophobicContact CZ-CB 3.91Å; F34-Q124 HydrophobicContact CD2-CG 4.44Å; F34-I144 HydrophobicContact CD1-CD1 4.18Å; F34-I144 HydrophobicContact CD2-CD1 4.08Å; F34-I144 HydrophobicContact CD2-CG1 4.24Å; F34-I144 HydrophobicContact CE1-CD1 3.9Å; F34-I144 HydrophobicContact CE1-CG1 4.41Å; F34-I144 HydrophobicContact CE2-CD1 3.81Å; F34-I144 HydrophobicContact CE2-CG1 3.62Å; F34-I144 HydrophobicContact CG-CD1 4.26Å; F34-I144 HydrophobicContact CZ-CD1 3.71Å; F34-I144 HydrophobicContact CZ-CG1 3.72Å; F34-I149 HydrophobicContact CZ-CD1 4.07Å; F34-I149 HydrophobicContact CZ-CG1 4.07Å; F34-I149 HydrophobicContact CZ-CG2 4.18Å
35C97.7Very high97Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-60.6-43.8173.6-74.90000112.1V30 D31 G32 A38 L39 A79V30-C35 WeakPolarHBondContact CG1-SG 3.4Å; D31-C35 PolarHBondContact O-N 2.82Å; D31-C35 PolarHBondContact O-SG 3.43Å; G32-C35 WeakPolarHBondContact O-CB 3.38Å; G32-C35 PolarHBondContact O-N 3.19Å; C35-A38 PolarHBondContact O-N 3.45Å; C35-L39 PolarHBondContact O-N 3.32Å; C35-A79 HydrophobicContact CB-CB 3.94Å
36Q97.1Very high96.9Very high26 Ų2645.4 Ų45.412%0.12121%0.21CC..Hα-helixtrans-62.9-49.1177.6-179.461.919.300111.6G32 T33 A38 L39 E40 F76 A79G32-Q36 PolarHBondContact O-N 3.3Å; T33-Q36 PolarHBondContact O-N 2.95Å; Q36-A38 VanDerWaalsContact C-N 3.26Å; Q36-A38 PolarHBondContact O-N 3.09Å; Q36-L39 WeakPolarHBondContact O-CB 3.48Å; Q36-L39 PolarHBondContact O-N 3.2Å; Q36-L39 VanDerWaalsContact O-N 3.12Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.42Å; Q36-E40 PolarHBondContact NE2-OE1 3.04Å; Q36-E40 WeakPolarHBondContact O-CG 3.35Å; Q36-E40 PolarHBondContact O-N 3.14Å; Q36-F76 HydrophobicContact CB-CD1 4.31Å; Q36-F76 HydrophobicContact CB-CE1 4.34Å; Q36-F76 HydrophobicContact CG-CD1 4.05Å; Q36-F76 HydrophobicContact CG-CE1 3.84Å; Q36-A79 HydrophobicContact CB-CB 4.09Å
37H97Very high96.8Very high70 Ų7048.7 Ų48.732%0.32423%0.226SC..Hα-helixtrans-63-33.4177.4-76.775.3000112.5T33 F34 N41 Q124 I144T33-H37 PolarHBondContact O-N 3.27Å; T33-H37 PolarHBondContact O-ND1 2.91Å; F34-H37 PolarHBondContact O-N 2.75Å; H37-N41 WeakPolarHBondContact O-CB 3.18Å; H37-N41 PolarHBondContact O-N 3.39Å; H37-N41 VanDerWaalsContact O-N 3.12Å; H37-N41 PolarHBondContact O-ND2 2.58Å; H37-Q124 HydrophobicContact CB-CG 4.04Å; H37-I144 HydrophobicContact CB-CD1 4.27Å
38A97.6Very high96.7Very high1 Ų146 Ų461%0.00822%0.218CC..Hα-helixtrans-66.8-40.7174.800000111.8F34 C35 Q36 N41 K42 I43 I45 I144F34-A38 VanDerWaalsContact O-CB 3.3Å; F34-A38 WeakPolarHBondContact O-CB 3.39Å; F34-A38 PolarHBondContact O-N 3.16Å; C35-A38 PolarHBondContact O-N 3.45Å; Q36-A38 VanDerWaalsContact C-N 3.26Å; Q36-A38 PolarHBondContact O-N 3.09Å; A38-N41 PolarHBondContact O-N 2.87Å; A38-K42 PolarHBondContact O-N 2.98Å; A38-I43 HydrophobicContact CB-CB 4.29Å; A38-I43 PolarHBondContact O-N 3.46Å; A38-I45 HydrophobicContact CB-CD1 3.61Å; A38-I45 HydrophobicContact CB-CG1 3.53Å; A38-I144 HydrophobicContact CB-CD1 3.68Å
39L96.5Very high96.6Very high74 Ų7446 Ų4639%0.38722%0.218SC..Hα-helixtrans-62.4-50.3176.5-179.166000111C35 Q36 N41 K42 I82C35-L39 PolarHBondContact O-N 3.32Å; Q36-L39 WeakPolarHBondContact O-CB 3.48Å; Q36-L39 PolarHBondContact O-N 3.2Å; Q36-L39 VanDerWaalsContact O-N 3.12Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 2.7Å; L39-K42 PolarHBondContact O-N 2.68Å; L39-K42 VanDerWaalsContact O-N 3.07Å; L39-I82 HydrophobicContact CB-CD1 3.98Å; L39-I82 HydrophobicContact CD1-CD1 3.97Å; L39-I82 HydrophobicContact CG-CD1 4.47Å
40E95.8Very high96.5Very high116 Ų11648.2 Ų48.254%0.54223%0.234SC..Hα-helixtrans-58.4-39.8179-71.3168.6-173.100112.3Q36 K42Q36-E40 WeakPolarHBondContact CG-OE1 3.42Å; Q36-E40 PolarHBondContact NE2-OE1 3.04Å; Q36-E40 WeakPolarHBondContact O-CG 3.35Å; Q36-E40 PolarHBondContact O-N 3.14Å; E40-K42 VanDerWaalsContact C-N 3.34Å
41N96.1Very high96.4Very high44 Ų4454.1 Ų54.124%0.23526%0.259CS..THydrogen-bonded Turntrans-89.14.6179.9-70.5-75000114.1H37 A38 L39 I43 F146 K147H37-N41 WeakPolarHBondContact O-CB 3.18Å; H37-N41 PolarHBondContact O-N 3.39Å; H37-N41 VanDerWaalsContact O-N 3.12Å; H37-N41 PolarHBondContact O-ND2 2.58Å; A38-N41 PolarHBondContact O-N 2.87Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 2.7Å; N41-I43 VanDerWaalsContact C-N 3.32Å; N41-I43 HydrophobicContact CB-CD1 3.78Å; N41-I43 HydrophobicContact CB-CG1 3.8Å; N41-I43 PolarHBondContact O-N 3.21Å; N41-F146 VanDerWaalsContact CG-O 3.26Å; N41-F146 PolarHBondContact OD1-O 3.44Å; N41-K147 HydrophobicContact CB-CG 4.5Å
42K95.7Very high96.3Very high198 Ų19853.8 Ų53.886%0.86126%0.258SS*.THydrogen-bonded Turntrans54.443.8-178.4-55.3-178.6-178.8-1770113A38 L39 E40A38-K42 PolarHBondContact O-N 2.98Å; L39-K42 PolarHBondContact O-N 2.68Å; L39-K42 VanDerWaalsContact O-N 3.07Å; E40-K42 VanDerWaalsContact C-N 3.34Å
43I96.1Very high96.3Very high19 Ų1953.6 Ų53.610%0.09726%0.256CS..  trans-99117.4-177.8-59-179.4000109.6A38 N41 I45 Q48 I144 I149A38-I43 HydrophobicContact CB-CB 4.29Å; A38-I43 PolarHBondContact O-N 3.46Å; N41-I43 VanDerWaalsContact C-N 3.32Å; N41-I43 HydrophobicContact CB-CD1 3.78Å; N41-I43 HydrophobicContact CB-CG1 3.8Å; N41-I43 PolarHBondContact O-N 3.21Å; I43-I45 PolarHBondContact O-N 2.8Å; I43-I45 VanDerWaalsContact O-N 3.08Å; I43-Q48 HydrophobicContact CG2-CB 4.05Å; I43-Q48 HydrophobicContact CG2-CG 3.8Å; I43-I144 HydrophobicContact CD1-CB 4.41Å; I43-I144 HydrophobicContact CD1-CD1 4.23Å; I43-I144 HydrophobicContact CD1-CG1 4.1Å; I43-I144 HydrophobicContact CD1-CG2 3.44Å; I43-I144 VanDerWaalsContact CD1-CG2 3.44Å; I43-I149 HydrophobicContact CG2-CD1 4.27Å; I43-I149 HydrophobicContact CG2-CG1 4.34Å
44N96.1Very high96.2Very high87 Ų8758.2 Ų58.247%0.46527%0.267SS..  trans-72.5101.1166.7-174.9-19.5000109.9R46 E47 Q48N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.37Å; N44-R46 PolarHBondContact OD1-N 2.83Å; N44-E47 HydrophobicContact CB-CB 4.2Å; N44-E47 PolarHBondContact O-N 2.9Å; N44-E47 PolarHBondContact OD1-N 3.08Å; N44-Q48 VanDerWaalsContact O-CB 3.25Å; N44-Q48 WeakPolarHBondContact O-CB 3.33Å; N44-Q48 WeakPolarHBondContact O-CG 3.36Å; N44-Q48 PolarHBondContact O-N 3.4Å
45I97.1Very high96Very high4 Ų458.6 Ų58.62%0.02127%0.271CS..Hα-helixtrans-55.6-46.2-175.4-61.7175.4000111.5F34 A38 I43 Q48 L49 I59 I82 F86F34-I45 HydrophobicContact CD1-CD1 4.02Å; F34-I45 HydrophobicContact CE1-CD1 4.09Å; F34-I45 HydrophobicContact CE1-CG1 4.15Å; F34-I45 HydrophobicContact CE1-CG2 4.07Å; A38-I45 HydrophobicContact CB-CD1 3.61Å; A38-I45 HydrophobicContact CB-CG1 3.53Å; I43-I45 PolarHBondContact O-N 2.8Å; I43-I45 VanDerWaalsContact O-N 3.08Å; I45-Q48 PolarHBondContact O-N 2.99Å; I45-L49 HydrophobicContact CG2-CD1 3.54Å; I45-L49 HydrophobicContact CG2-CG 4.1Å; I45-L49 VanDerWaalsContact O-CB 3.29Å; I45-L49 WeakPolarHBondContact O-CB 3.43Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.47Å; I45-L49 PolarHBondContact O-N 2.92Å; I45-I59 HydrophobicContact CG2-CD1 4.25Å; I45-I82 HydrophobicContact CD1-CG2 3.92Å; I45-F86 HydrophobicContact CB-CZ 4.03Å; I45-F86 HydrophobicContact CD1-CE2 4.15Å; I45-F86 HydrophobicContact CD1-CZ 3.98Å; I45-F86 HydrophobicContact CG2-CZ 4.02Å
46R95.7Very high95.9Very high124 Ų12464.4 Ų64.447%0.46830%0.302SS..Hα-helixtrans-61.9-49.7-175.5-177.2179.6-68.4-88.13.4111.8N44 S50 I59N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.37Å; N44-R46 PolarHBondContact OD1-N 2.83Å; R46-S50 PolarHBondContact O-N 3.14Å; R46-S50 PolarHBondContact O-OG 3.27Å; R46-I59 HydrophobicContact CB-CD1 4.03Å; R46-I59 HydrophobicContact CG-CD1 4.27Å
47E95.3Very high95.9Very high81 Ų8164 Ų6438%0.37930%0.301SS..Hα-helixtrans-68.3-44.3-179.4-170.3-167.9155.900111.7N44 K51N44-E47 HydrophobicContact CB-CB 4.2Å; N44-E47 PolarHBondContact O-N 2.9Å; N44-E47 PolarHBondContact OD1-N 3.08Å; E47-K51 HydrophobicContact CG-CD 4.11Å; E47-K51 WeakPolarHBondContact O-CB 3.45Å; E47-K51 WeakPolarHBondContact O-CG 3.25Å; E47-K51 PolarHBondContact O-N 2.82Å; E47-K51 VanDerWaalsContact OE1-CE 3.32Å; E47-K51 WeakPolarHBondContact OE1-CE 3.22Å; E47-K51 IonicContact OE1-NZ 3.68Å; E47-K51 PolarHBondContact OE1-NZ 3.23Å
48Q95.3Very high95.9Very high57 Ų5763.2 Ų63.227%0.26630%0.299SS..Hα-helixtrans-71-36-175.3-69.2-69.6-34.400112.5I43 N44 I45 Y52 I149I43-Q48 HydrophobicContact CG2-CB 4.05Å; I43-Q48 HydrophobicContact CG2-CG 3.8Å; N44-Q48 VanDerWaalsContact O-CB 3.25Å; N44-Q48 WeakPolarHBondContact O-CB 3.33Å; N44-Q48 WeakPolarHBondContact O-CG 3.36Å; N44-Q48 PolarHBondContact O-N 3.4Å; I45-Q48 PolarHBondContact O-N 2.99Å; Q48-Y52 WeakPolarHBondContact O-CB 3.38Å; Q48-Y52 PolarHBondContact O-N 3.39Å; Q48-I149 HydrophobicContact CB-CD1 3.8Å
49L96.2Very high96Very high0 Ų063.5 Ų63.50%030%0.3CS..Hα-helixtrans-64-49.7174.4-76.8176.6000111.5V28 I45 K51 Y52 L53 I59 L142 I149V28-L49 HydrophobicContact CB-CD1 4.47Å; V28-L49 HydrophobicContact CG1-CD1 4.09Å; I45-L49 HydrophobicContact CG2-CD1 3.54Å; I45-L49 HydrophobicContact CG2-CG 4.1Å; I45-L49 VanDerWaalsContact O-CB 3.29Å; I45-L49 WeakPolarHBondContact O-CB 3.43Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.47Å; I45-L49 PolarHBondContact O-N 2.92Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.41Å; L49-Y52 PolarHBondContact O-N 3.25Å; L49-L53 WeakPolarHBondContact O-CB 3.08Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 3.35Å; L49-I59 HydrophobicContact CD1-CD1 3.8Å; L49-I59 HydrophobicContact CD1-CG1 3.96Å; L49-L142 HydrophobicContact CD2-CD1 3.64Å; L49-I149 HydrophobicContact CD2-CD1 3.84Å; L49-I149 HydrophobicContact CD2-CG2 3.97Å; L49-I149 HydrophobicContact CG-CD1 3.88Å
50S95.5Very high96Very high48 Ų4860.1 Ų60.134%0.33628%0.283SS..Hα-helixtrans-60.5-43.4178.4-59.10000111.7R46 R54R46-S50 PolarHBondContact O-N 3.14Å; R46-S50 PolarHBondContact O-OG 3.27Å; S50-R54 WeakPolarHBondContact O-CA 3.32Å; S50-R54 PolarHBondContact O-N 3.5Å
51K94.8Very high96.1Very high124 Ų12454.7 Ų54.754%0.53926%0.257SS..Hα-helixtrans-64.7-39.7175.9-75.1-179.2177.3-178.70113E47 L49E47-K51 HydrophobicContact CG-CD 4.11Å; E47-K51 WeakPolarHBondContact O-CB 3.45Å; E47-K51 WeakPolarHBondContact O-CG 3.25Å; E47-K51 PolarHBondContact O-N 2.82Å; E47-K51 VanDerWaalsContact OE1-CE 3.32Å; E47-K51 WeakPolarHBondContact OE1-CE 3.22Å; E47-K51 IonicContact OE1-NZ 3.68Å; E47-K51 PolarHBondContact OE1-NZ 3.23Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.41Å
52Y95.7Very high96.1Very high4 Ų452.6 Ų52.62%0.01625%0.246CC..Hα-helixtrans-73.8-45-177.4-180-127.1000112.5R5 L6 A9 Q48 L49 L142 I149 F151R5-Y52 HydrophobicContact CG-CD2 4.16Å; R5-Y52 HydrophobicContact CG-CE2 3.45Å; R5-Y52 VanDerWaalsContact CG-CE2 3.45Å; L6-Y52 HydrophobicContact CD2-CD2 3.97Å; A9-Y52 HydrophobicContact CB-CD2 4.27Å; A9-Y52 HydrophobicContact CB-CE1 4.15Å; A9-Y52 HydrophobicContact CB-CE2 3.58Å; Q48-Y52 WeakPolarHBondContact O-CB 3.38Å; Q48-Y52 PolarHBondContact O-N 3.39Å; L49-Y52 PolarHBondContact O-N 3.25Å; Y52-L142 HydrophobicContact CD1-CD2 4.35Å; Y52-L142 HydrophobicContact CE1-CD2 3.95Å; Y52-I149 HydrophobicContact CD1-CB 4.49Å; Y52-I149 HydrophobicContact CD1-CG2 4.21Å; Y52-I149 WeakPolarHBondContact CE1-O 3.23Å; Y52-F151 AromaticContact CE1-CD2 3.79Å; Y52-F151 HydrophobicContact CE1-CD2 3.79Å; Y52-F151 HydrophobicContact CE1-CE2 4.2Å; Y52-F151 PolarHBondContact OH-N 3.25Å
53L95.4Very high96.1Very high0 Ų045.3 Ų45.30%022%0.217CC..Hα-helixtrans-80.5-19.5-178.9-59.2-174.4000112.9Q10 L13 Y26 V28 L49 A55 V57 F151Q10-L53 PolarHBondContact NE2-O 3.44Å; L13-L53 HydrophobicContact CD1-CB 4.24Å; L13-L53 HydrophobicContact CD1-CD2 4.15Å; L13-L53 WeakPolarHBondContact CD1-O 3.41Å; Y26-L53 HydrophobicContact CD2-CD1 4.35Å; V28-L53 HydrophobicContact CG2-CD1 4.46Å; L49-L53 WeakPolarHBondContact O-CB 3.08Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 3.35Å; L53-A55 HydrophobicContact CB-CB 4.38Å; L53-A55 PolarHBondContact O-N 2.94Å; L53-V57 HydrophobicContact CB-CG2 4.46Å; L53-V57 HydrophobicContact CD1-CG2 3.81Å; L53-F151 HydrophobicContact CD2-CD2 4.37Å; L53-F151 HydrophobicContact CD2-CE2 3.28Å; L53-F151 HydrophobicContact CD2-CZ 3.43Å; L53-F151 VanDerWaalsContact CD2-CZ 3.43Å
54R94.5Very high96Very high145 Ų14544.5 Ų44.555%0.54721%0.213SC..THydrogen-bonded Turntrans51.845.6-174.9-61.4178.4169159.8-12111.7K24 S50K24-R54 PolarHBondContact NZ-O 3.11Å; S50-R54 WeakPolarHBondContact O-CA 3.32Å; S50-R54 PolarHBondContact O-N 3.5Å
55A94.6Very high96Very high9 Ų940.4 Ų40.47%0.07419%0.191CC..SBendtrans-158.1158.5-173.400000108.8K24 Y26 L53 V57K24-A55 HydrophobicContact CD-CB 3.59Å; K24-A55 HydrophobicContact CG-CB 3.93Å; Y26-A55 HydrophobicContact CD2-CB 3.6Å; Y26-A55 HydrophobicContact CE2-CB 3.45Å; Y26-A55 VanDerWaalsContact CE2-CB 3.45Å; L53-A55 HydrophobicContact CB-CB 4.38Å; L53-A55 PolarHBondContact O-N 2.94Å; A55-V57 WeakPolarHBondContact O-CG2 3.42Å
56D95.9Very high96Very high121 Ų12141.1 Ų41.165%0.64720%0.195SC*.  trans-68.9138.6170.7-57.7-42.6000110.2P25 Y26P25-D56 CarbonylContact C-O 3.41Å; P25-D56 VanDerWaalsContact CA-O 3.22Å; P25-D56 WeakPolarHBondContact CA-O 3.44Å; P25-D56 HydrophobicContact CB-CB 3.8Å; Y26-D56 PolarHBondContact N-O 2.95Å
57V97.4Very high95.9Very high19 Ų1936 Ų3612%0.11518%0.177CC..EExtended strand (participates in β ladder)trans-129.9126.7-174.3-173.80000109.6Y26 V28 L53 A55 I59Y26-V57 CarbonylContact O-C 3.49Å; Y26-V57 WeakPolarHBondContact O-CA 3.36Å; V28-V57 HydrophobicContact CB-CG1 4Å; V28-V57 HydrophobicContact CG2-CG1 3.44Å; V28-V57 VanDerWaalsContact CG2-CG1 3.44Å; L53-V57 HydrophobicContact CB-CG2 4.46Å; L53-V57 HydrophobicContact CD1-CG2 3.81Å; A55-V57 WeakPolarHBondContact O-CG2 3.42Å; V57-I59 HydrophobicContact CG1-CG1 3.86Å
58I97.5Very high95.9Very high53 Ų5335 Ų3527%0.27217%0.172SC..EExtended strand (participates in β ladder)trans-96.9103.5168.2-56.5174.4000107.4P25 Y26 R27 V28 K87P25-I58 HydrophobicContact CB-CD1 4.17Å; P25-I58 HydrophobicContact CB-CG1 3.97Å; P25-I58 HydrophobicContact CG-CD1 3.57Å; P25-I58 HydrophobicContact CG-CG1 3.94Å; Y26-I58 PolarHBondContact O-N 3.26Å; R27-I58 WeakPolarHBondContact CA-O 3.49Å; V28-I58 PolarHBondContact N-O 3.15Å; I58-K87 HydrophobicContact CG2-CD 3.99Å
59I98Very high95.9Very high6 Ų632.3 Ų32.33%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-83.4125.7177.2-52.4171.2000108.6V30 I45 R46 L49 V57 F86 K87V30-I59 HydrophobicContact CB-CG2 4.42Å; V30-I59 HydrophobicContact CG2-CG2 3.43Å; V30-I59 VanDerWaalsContact CG2-CG2 3.43Å; I45-I59 HydrophobicContact CG2-CD1 4.25Å; R46-I59 HydrophobicContact CB-CD1 4.03Å; R46-I59 HydrophobicContact CG-CD1 4.27Å; L49-I59 HydrophobicContact CD1-CD1 3.8Å; L49-I59 HydrophobicContact CD1-CG1 3.96Å; V57-I59 HydrophobicContact CG1-CG1 3.86Å; I59-F86 HydrophobicContact CB-CD1 3.93Å; I59-F86 HydrophobicContact CB-CE1 4.39Å; I59-F86 HydrophobicContact CB-CG 4.2Å; I59-F86 HydrophobicContact CD1-CE1 4.2Å; I59-F86 HydrophobicContact CG2-CB 4.06Å; I59-F86 HydrophobicContact CG2-CD1 3.54Å; I59-F86 HydrophobicContact CG2-CD2 3.7Å; I59-F86 HydrophobicContact CG2-CE1 3.86Å; I59-F86 HydrophobicContact CG2-CE2 4Å; I59-F86 HydrophobicContact CG2-CG 3.48Å; I59-F86 VanDerWaalsContact CG2-CG 3.48Å; I59-F86 HydrophobicContact CG2-CZ 4.08Å; I59-K87 WeakPolarHBondContact O-CB 3.25Å; I59-K87 PolarHBondContact O-N 3.3Å
60C97.6Very high95.8Very high4 Ų436.2 Ų36.23%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-129.3149.6-174-60.50000111.1V28 L29 V30 K87 L89V28-C60 PolarHBondContact O-N 3.01Å; L29-C60 CarbonylContact C-O 3.59Å; L29-C60 WeakPolarHBondContact CA-O 3.43Å; L29-C60 HydrophobicContact CD2-CB 4.04Å; V30-C60 PolarHBondContact N-O 3.12Å; C60-K87 CarbonylContact C-O 3.51Å; C60-K87 WeakPolarHBondContact CA-O 3.13Å; C60-L89 HydrophobicContact CB-CD1 3.68Å; C60-L89 HydrophobicContact CB-CD2 4.35Å; C60-L89 HydrophobicContact CB-CG 3.83Å
61T97.2Very high95.7Very high1 Ų138.1 Ų38.11%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-137.3-179.2168.2-164.60000110.4V30 L66 A83 F86 K87 L88 L89V30-T61 PolarHBondContact O-OG1 3.33Å; T61-L66 HydrophobicContact CG2-CD2 4.35Å; T61-L66 HydrophobicContact CG2-CG 4.45Å; T61-A83 WeakPolarHBondContact CG2-O 3.48Å; T61-F86 HydrophobicContact CG2-CB 4.39Å; T61-K87 PolarHBondContact N-O 2.92Å; T61-L88 HydrophobicContact CG2-CD1 4.25Å; T61-L89 PolarHBondContact O-N 3.26Å
62T96.3Very high95.6Very high0 Ų036.6 Ų36.60%018%0.181CC..EExtended strand (participates in β ladder)trans-121.6156.8178.870.50000111.2C64 V65 L66 L89 L107 L110T62-C64 PolarHBondContact O-N 3.3Å; T62-V65 PolarHBondContact O-N 3Å; T62-V65 VanDerWaalsContact O-N 3.15Å; T62-V65 WeakPolarHBondContact OG1-CG2 3.14Å; T62-V65 PolarHBondContact OG1-N 3.04Å; T62-L66 PolarHBondContact O-N 3.38Å; T62-L89 HydrophobicContact CG2-CB 4.48Å; T62-L107 HydrophobicContact CG2-CD2 4.06Å; T62-L110 HydrophobicContact CG2-CD2 3.91Å
63N95.1Very high95.3Very high45 Ų4538 Ų3824%0.24120%0.196CC..Hα-helixtrans-60-34.3174.9-85.7-28.6000112.5V65 L66 V67 L88 L95N63-V65 VanDerWaalsContact C-N 3.3Å; N63-V65 PolarHBondContact O-N 2.99Å; N63-L66 PolarHBondContact O-N 3.37Å; N63-V67 WeakPolarHBondContact O-CG2 3.41Å; N63-V67 PolarHBondContact O-N 2.85Å; N63-L88 WeakPolarHBondContact OD1-CD1 3.15Å; N63-L88 WeakPolarHBondContact OD1-CD2 3.49Å; N63-L95 HydrophobicContact CB-CD1 3.77Å; N63-L95 HydrophobicContact CB-CD2 3.53Å; N63-L95 HydrophobicContact CB-CG 4.31Å; N63-L95 WeakPolarHBondContact ND2-CD1 3.2Å
64C95.6Very high95.2Very high3 Ų347.4 Ų47.42%0.0224%0.237CC..Hα-helixtrans-59.8-40.4176.3-60.80000112T62 V67 E68 C91 A103 C106T62-C64 PolarHBondContact O-N 3.3Å; C64-V67 PolarHBondContact O-N 2.93Å; C64-E68 VanDerWaalsContact O-CB 3.29Å; C64-E68 WeakPolarHBondContact O-CB 3.42Å; C64-E68 PolarHBondContact O-N 2.81Å; C64-C91 VanDerWaalsContact SG-SG 3.62Å; C64-A103 HydrophobicContact CB-CB 4.44Å; C64-C106 HydrophobicContact CB-CB 3.71Å
65V96.1Very high95.2Very high0 Ų048.5 Ų48.50%025%0.249CC..Hα-helixtrans-63.9-42.2175.7174.30000111T62 N63 E68 L69 A103 L107T62-V65 PolarHBondContact O-N 3Å; T62-V65 VanDerWaalsContact O-N 3.15Å; T62-V65 WeakPolarHBondContact OG1-CG2 3.14Å; T62-V65 PolarHBondContact OG1-N 3.04Å; N63-V65 VanDerWaalsContact C-N 3.3Å; N63-V65 PolarHBondContact O-N 2.99Å; V65-E68 PolarHBondContact O-N 3.22Å; V65-L69 HydrophobicContact CG1-CD1 4.08Å; V65-L69 WeakPolarHBondContact O-CB 3.47Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.13Å; V65-A103 HydrophobicContact CB-CB 4.38Å; V65-A103 HydrophobicContact CG2-CB 3.77Å; V65-L107 HydrophobicContact CG2-CD1 4.43Å
66L95.6Very high95.2Very high20 Ų2051.1 Ų51.111%0.10526%0.258CS..Hα-helixtrans-64.8-44178.4-63.2-179.5000111.8T61 T62 N63 L69 E70 W80 A83 K84 L88T61-L66 HydrophobicContact CG2-CD2 4.35Å; T61-L66 HydrophobicContact CG2-CG 4.45Å; T62-L66 PolarHBondContact O-N 3.38Å; N63-L66 PolarHBondContact O-N 3.37Å; L66-L69 PolarHBondContact O-N 3.38Å; L66-E70 WeakPolarHBondContact O-CB 3.28Å; L66-E70 PolarHBondContact O-N 2.86Å; L66-W80 PolarHBondContact O-NE1 3.13Å; L66-A83 HydrophobicContact CD2-CB 3.6Å; L66-K84 HydrophobicContact CD2-CB 4.43Å; L66-L88 HydrophobicContact CD1-CD1 3.79Å
67V94.6Very high95.3Very high17 Ų1750.6 Ų50.610%0.10325%0.252CS..Hα-helixtrans-64.9-41.8177.1173.40000110.8N63 C64 E70 L71 L95 P100N63-V67 WeakPolarHBondContact O-CG2 3.41Å; N63-V67 PolarHBondContact O-N 2.85Å; C64-V67 PolarHBondContact O-N 2.93Å; V67-E70 PolarHBondContact O-N 3.4Å; V67-L71 HydrophobicContact CG1-CD1 3.89Å; V67-L71 HydrophobicContact CG1-CG 4.37Å; V67-L71 VanDerWaalsContact O-CG 3.28Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 2.87Å; V67-L95 HydrophobicContact CG2-CD2 4.44Å; V67-P100 HydrophobicContact CG1-CB 3.95Å
68E94.4Very high95.2Very high58 Ų5850.9 Ų50.927%0.27126%0.259SS..Hα-helixtrans-59.7-48.3176.4-173.3177.185.200111.5C64 V65 E70 L71 L72 A103C64-E68 VanDerWaalsContact O-CB 3.29Å; C64-E68 WeakPolarHBondContact O-CB 3.42Å; C64-E68 PolarHBondContact O-N 2.81Å; V65-E68 PolarHBondContact O-N 3.22Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.08Å; E68-L71 PolarHBondContact O-N 3.31Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.46Å; E68-A103 HydrophobicContact CB-CB 4.25Å; E68-A103 HydrophobicContact CG-CB 4.48Å; E68-A103 VanDerWaalsContact OE1-CB 3.29Å; E68-A103 WeakPolarHBondContact OE1-CB 3.43Å; E68-A103 WeakPolarHBondContact OE2-CB 3.48Å; E68-A103 PolarHBondContact OE2-N 2.96Å
69L95.5Very high95.2Very high2 Ų248.4 Ų48.41%0.0125%0.246CC..Hα-helixtrans-63.2-35.4176.4-73.8171.3000113.3V65 L66 F76 A79 W80 A83V65-L69 HydrophobicContact CG1-CD1 4.08Å; V65-L69 WeakPolarHBondContact O-CB 3.47Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.13Å; L66-L69 PolarHBondContact O-N 3.38Å; L69-F76 HydrophobicContact CD2-CB 4.18Å; L69-F76 HydrophobicContact CD2-CD1 4.32Å; L69-A79 HydrophobicContact CD2-CB 4.11Å; L69-W80 HydrophobicContact CB-CB 4.02Å; L69-W80 HydrophobicContact CB-CG 4.44Å; L69-W80 HydrophobicContact CD1-CB 4.45Å; L69-A83 HydrophobicContact CD1-CB 3.96Å
70E93.9Very high95.2Very high81 Ų8150.3 Ų50.338%0.37925%0.253SS..Hα-helixtrans-66.1-40.8176.2-170.9-179.6162.200111.1L66 V67 E68 G73 R97L66-E70 WeakPolarHBondContact O-CB 3.28Å; L66-E70 PolarHBondContact O-N 2.86Å; V67-E70 PolarHBondContact O-N 3.4Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.08Å; E70-G73 PolarHBondContact O-N 3.21Å; E70-R97 IonicContact OE1-CZ 3.41Å; E70-R97 IonicContact OE1-NE 3.16Å; E70-R97 PolarHBondContact OE1-NE 2.93Å; E70-R97 VanDerWaalsContact OE1-NE 3.16Å; E70-R97 IonicContact OE1-NH2 2.8Å; E70-R97 PolarHBondContact OE1-NH2 3.17Å; E70-R97 IonicContact OE2-NH2 3.74Å
71L93.1Very high95.2Very high88 Ų8854.4 Ų54.446%0.46127%0.274SS..Hα-helixtrans-72.7-29.4179.9-70.6171.9000113.7V67 E68 G73 P100V67-L71 HydrophobicContact CG1-CD1 3.89Å; V67-L71 HydrophobicContact CG1-CG 4.37Å; V67-L71 VanDerWaalsContact O-CG 3.28Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 2.87Å; E68-L71 PolarHBondContact O-N 3.31Å; L71-G73 PolarHBondContact O-N 3.1Å; L71-P100 HydrophobicContact CD1-CB 3.64Å; L71-P100 HydrophobicContact CD1-CG 3.47Å; L71-P100 VanDerWaalsContact CD1-CG 3.47Å
72L93Very high95.2Very high93 Ų9356 Ų5649%0.48728%0.282SS..THydrogen-bonded Turntrans-65.6-12.1173.7-70.2172.6000113.1E68 F76E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.46Å; L72-F76 HydrophobicContact CB-CB 4.22Å; L72-F76 HydrophobicContact CB-CD2 3.52Å; L72-F76 HydrophobicContact CB-CE2 4.08Å; L72-F76 HydrophobicContact CB-CG 3.98Å; L72-F76 HydrophobicContact CD1-CD1 4.33Å; L72-F76 HydrophobicContact CD1-CD2 4.19Å; L72-F76 HydrophobicContact CD1-CE1 4.46Å; L72-F76 HydrophobicContact CD1-CE2 4.34Å; L72-F76 HydrophobicContact CD1-CG 4.17Å; L72-F76 HydrophobicContact CD1-CZ 4.47Å; L72-F76 HydrophobicContact CG-CD2 4.42Å
73G90.8Very high95.2Very high32 Ų3256 Ų5633%0.3328%0.282SS..  trans89.7-166169.300000114.9E70 L71 H75 F76E70-G73 PolarHBondContact O-N 3.21Å; L71-G73 PolarHBondContact O-N 3.1Å; G73-H75 VanDerWaalsContact C-N 3.27Å; G73-H75 PolarHBondContact O-N 2.78Å; G73-H75 VanDerWaalsContact O-N 3.16Å; G73-F76 PolarHBondContact O-N 2.79Å; G73-F76 VanDerWaalsContact O-N 3.12Å
74K93.3Very high95.3Very high198 Ų19859.7 Ų59.786%0.86130%0.296SS*.G310 helixtrans-59.7-32.7-166-64.6-178.7-178.5177.50113.9F76 H77K74-F76 PolarHBondContact O-N 3.18Å; K74-H77 VanDerWaalsContact O-CB 3.3Å; K74-H77 WeakPolarHBondContact O-CB 3.24Å; K74-H77 PolarHBondContact O-N 2.75Å
75H93.7Very high95.3Very high169 Ų16965.6 Ų65.678%0.78232%0.324SS*.G310 helixtrans-60.4-31.4179.8-67.9-69.4000113.2G73G73-H75 VanDerWaalsContact C-N 3.27Å; G73-H75 PolarHBondContact O-N 2.78Å; G73-H75 VanDerWaalsContact O-N 3.16Å
76F95.8Very high95.4Very high64 Ų6466.3 Ų66.328%0.28133%0.327SS..G310 helixtrans-99.46.2-178-67.3-88.6000113.4Q36 L69 L72 G73 K74 G78 A79 W80Q36-F76 HydrophobicContact CB-CD1 4.31Å; Q36-F76 HydrophobicContact CB-CE1 4.34Å; Q36-F76 HydrophobicContact CG-CD1 4.05Å; Q36-F76 HydrophobicContact CG-CE1 3.84Å; L69-F76 HydrophobicContact CD2-CB 4.18Å; L69-F76 HydrophobicContact CD2-CD1 4.32Å; L72-F76 HydrophobicContact CB-CB 4.22Å; L72-F76 HydrophobicContact CB-CD2 3.52Å; L72-F76 HydrophobicContact CB-CE2 4.08Å; L72-F76 HydrophobicContact CB-CG 3.98Å; L72-F76 HydrophobicContact CD1-CD1 4.33Å; L72-F76 HydrophobicContact CD1-CD2 4.19Å; L72-F76 HydrophobicContact CD1-CE1 4.46Å; L72-F76 HydrophobicContact CD1-CE2 4.34Å; L72-F76 HydrophobicContact CD1-CG 4.17Å; L72-F76 HydrophobicContact CD1-CZ 4.47Å; L72-F76 HydrophobicContact CG-CD2 4.42Å; G73-F76 PolarHBondContact O-N 2.79Å; G73-F76 VanDerWaalsContact O-N 3.12Å; K74-F76 PolarHBondContact O-N 3.18Å; F76-G78 VanDerWaalsContact C-N 3.27Å; F76-G78 PolarHBondContact O-N 2.92Å; F76-A79 PolarHBondContact O-N 3.47Å; F76-A79 VanDerWaalsContact O-N 3.11Å; F76-W80 PolarHBondContact O-N 3.12Å
77H96.4Very high95.5Very high109 Ų10971.4 Ų71.451%0.50535%0.348SS..Hα-helixtrans-59.8-36.3-177.9-174.969.4000112.8K74 W80 L81K74-H77 VanDerWaalsContact O-CB 3.3Å; K74-H77 WeakPolarHBondContact O-CB 3.24Å; K74-H77 PolarHBondContact O-N 2.75Å; H77-W80 AromaticContact CE1-CE3 3.98Å; H77-W80 WeakPolarHBondContact O-CB 3.49Å; H77-W80 PolarHBondContact O-N 3.04Å; H77-L81 PolarHBondContact O-N 3.34Å
78G96.7Very high95.5Very high26 Ų2674.3 Ų74.327%0.26836%0.363SS..Hα-helixtrans-64.6-43.2175.400000112.6F76 W80 L81 I82F76-G78 VanDerWaalsContact C-N 3.27Å; F76-G78 PolarHBondContact O-N 2.92Å; G78-W80 VanDerWaalsContact C-N 3.32Å; G78-W80 PolarHBondContact O-N 3.32Å; G78-L81 PolarHBondContact O-N 3.06Å; G78-I82 WeakPolarHBondContact O-CG1 3.06Å; G78-I82 PolarHBondContact O-N 2.89Å; G78-I82 VanDerWaalsContact O-N 3.1Å
79A97.3Very high95.6Very high0 Ų072.7 Ų72.70%036%0.355CS..Hα-helixtrans-63.9-38.9174.900000111.6C35 Q36 L69 F76 I82 A83C35-A79 HydrophobicContact CB-CB 3.94Å; Q36-A79 HydrophobicContact CB-CB 4.09Å; L69-A79 HydrophobicContact CD2-CB 4.11Å; F76-A79 PolarHBondContact O-N 3.47Å; F76-A79 VanDerWaalsContact O-N 3.11Å; A79-I82 PolarHBondContact O-N 2.96Å; A79-A83 WeakPolarHBondContact O-CB 3.3Å; A79-A83 PolarHBondContact O-N 3.07Å
80W97.6Very high95.4Very high46 Ų4682.1 Ų82.117%0.17440%0.397CS..Hα-helixtrans-59.9-46173.7-178.991.7000112L66 L69 F76 H77 G78 I82 A83 K84L66-W80 PolarHBondContact O-NE1 3.13Å; L69-W80 HydrophobicContact CB-CB 4.02Å; L69-W80 HydrophobicContact CB-CG 4.44Å; L69-W80 HydrophobicContact CD1-CB 4.45Å; F76-W80 PolarHBondContact O-N 3.12Å; H77-W80 AromaticContact CE1-CE3 3.98Å; H77-W80 WeakPolarHBondContact O-CB 3.49Å; H77-W80 PolarHBondContact O-N 3.04Å; G78-W80 VanDerWaalsContact C-N 3.32Å; G78-W80 PolarHBondContact O-N 3.32Å; W80-I82 VanDerWaalsContact C-N 3.33Å; W80-I82 PolarHBondContact O-N 2.88Å; W80-A83 PolarHBondContact O-N 3.48Å; W80-K84 HydrophobicContact CE3-CD 4.46Å; W80-K84 HydrophobicContact CH2-CD 3.65Å; W80-K84 HydrophobicContact CZ2-CD 4.03Å; W80-K84 HydrophobicContact CZ3-CD 3.87Å; W80-K84 WeakPolarHBondContact O-CB 3.34Å; W80-K84 PolarHBondContact O-N 2.84Å
81L97.3Very high95.2Very high90 Ų9079.7 Ų79.747%0.47139%0.388SS..Hα-helixtrans-62.3-40.8178.8-172.665.3000111.8H77 G78 Q85H77-L81 PolarHBondContact O-N 3.34Å; G78-L81 PolarHBondContact O-N 3.06Å; L81-Q85 WeakPolarHBondContact O-CG 3.2Å
82I97.2Very high94.9Very high35 Ų3587.6 Ų87.618%0.17941%0.412CS..Hα-helixtrans-63.7-49.7174.8-66.4166000110.4L39 I45 G78 A79 W80 K84 Q85 F86L39-I82 HydrophobicContact CB-CD1 3.98Å; L39-I82 HydrophobicContact CD1-CD1 3.97Å; L39-I82 HydrophobicContact CG-CD1 4.47Å; I45-I82 HydrophobicContact CD1-CG2 3.92Å; G78-I82 WeakPolarHBondContact O-CG1 3.06Å; G78-I82 PolarHBondContact O-N 2.89Å; G78-I82 VanDerWaalsContact O-N 3.1Å; A79-I82 PolarHBondContact O-N 2.96Å; W80-I82 VanDerWaalsContact C-N 3.33Å; W80-I82 PolarHBondContact O-N 2.88Å; I82-K84 VanDerWaalsContact C-N 3.27Å; I82-K84 PolarHBondContact O-N 3.34Å; I82-Q85 WeakPolarHBondContact O-CB 3.4Å; I82-Q85 PolarHBondContact O-N 2.87Å; I82-Q85 VanDerWaalsContact O-N 3.14Å; I82-F86 HydrophobicContact CG2-CE2 3.96Å; I82-F86 HydrophobicContact CG2-CZ 3.79Å
83A97.1Very high94.7Very high0 Ų084.8 Ų84.80%040%0.396CS..Hα-helixtrans-59.9-38.8-178.900000112T61 L66 L69 A79 W80 Q85 F86T61-A83 WeakPolarHBondContact CG2-O 3.48Å; L66-A83 HydrophobicContact CD2-CB 3.6Å; L69-A83 HydrophobicContact CD1-CB 3.96Å; A79-A83 WeakPolarHBondContact O-CB 3.3Å; A79-A83 PolarHBondContact O-N 3.07Å; W80-A83 PolarHBondContact O-N 3.48Å; A83-Q85 PolarHBondContact O-N 3.48Å; A83-F86 PolarHBondContact O-N 3.44Å; A83-F86 VanDerWaalsContact O-N 3.09Å
84K96.5Very high93.7Very high122 Ų12286.3 Ų86.353%0.5341%0.405SS..Hα-helixtrans-60.9-24.1178.8-172.5176179.6-179.20113.6L66 W80 I82 F86L66-K84 HydrophobicContact CD2-CB 4.43Å; W80-K84 HydrophobicContact CE3-CD 4.46Å; W80-K84 HydrophobicContact CH2-CD 3.65Å; W80-K84 HydrophobicContact CZ2-CD 4.03Å; W80-K84 HydrophobicContact CZ3-CD 3.87Å; W80-K84 WeakPolarHBondContact O-CB 3.34Å; W80-K84 PolarHBondContact O-N 2.84Å; I82-K84 VanDerWaalsContact C-N 3.27Å; I82-K84 PolarHBondContact O-N 3.34Å; K84-F86 VanDerWaalsContact C-N 3.27Å; K84-F86 PolarHBondContact O-N 2.8Å
85Q96.5Very high92.8Very high128 Ų12880.5 Ų80.560%0.59838%0.383SS*.THydrogen-bonded Turntrans-76.4-12.2177.7-63.8173.5-3.800113.6L81 I82 A83L81-Q85 WeakPolarHBondContact O-CG 3.2Å; I82-Q85 WeakPolarHBondContact O-CB 3.4Å; I82-Q85 PolarHBondContact O-N 2.87Å; I82-Q85 VanDerWaalsContact O-N 3.14Å; A83-Q85 PolarHBondContact O-N 3.48Å
86F96.9Very high91.9Very high14 Ų1477.7 Ų77.76%0.06137%0.374CS..SBendtrans-89.6162.7-177.7-57.1-36.7000112.4V30 I45 I59 T61 I82 A83 K84 L88V30-F86 HydrophobicContact CB-CD2 4.34Å; V30-F86 HydrophobicContact CB-CE2 4.39Å; V30-F86 HydrophobicContact CG1-CE2 4.16Å; V30-F86 HydrophobicContact CG2-CE2 4.45Å; I45-F86 HydrophobicContact CB-CZ 4.03Å; I45-F86 HydrophobicContact CD1-CE2 4.15Å; I45-F86 HydrophobicContact CD1-CZ 3.98Å; I45-F86 HydrophobicContact CG2-CZ 4.02Å; I59-F86 HydrophobicContact CB-CD1 3.93Å; I59-F86 HydrophobicContact CB-CE1 4.39Å; I59-F86 HydrophobicContact CB-CG 4.2Å; I59-F86 HydrophobicContact CD1-CE1 4.2Å; I59-F86 HydrophobicContact CG2-CB 4.06Å; I59-F86 HydrophobicContact CG2-CD1 3.54Å; I59-F86 HydrophobicContact CG2-CD2 3.7Å; I59-F86 HydrophobicContact CG2-CE1 3.86Å; I59-F86 HydrophobicContact CG2-CE2 4Å; I59-F86 HydrophobicContact CG2-CG 3.48Å; I59-F86 VanDerWaalsContact CG2-CG 3.48Å; I59-F86 HydrophobicContact CG2-CZ 4.08Å; T61-F86 HydrophobicContact CG2-CB 4.39Å; I82-F86 HydrophobicContact CG2-CE2 3.96Å; I82-F86 HydrophobicContact CG2-CZ 3.79Å; A83-F86 PolarHBondContact O-N 3.44Å; A83-F86 VanDerWaalsContact O-N 3.09Å; K84-F86 VanDerWaalsContact C-N 3.27Å; K84-F86 PolarHBondContact O-N 2.8Å; F86-L88 PolarHBondContact O-N 3.08Å
87K97.2Very high90.9Very high128 Ų12882.5 Ų82.556%0.55739%0.39SS*.EExtended strand (participates in β ladder)trans-64.2122.4-179.8-178173.5-179.1168.90109.8I58 I59 C60 T61 L89I58-K87 HydrophobicContact CG2-CD 3.99Å; I59-K87 WeakPolarHBondContact O-CB 3.25Å; I59-K87 PolarHBondContact O-N 3.3Å; C60-K87 CarbonylContact C-O 3.51Å; C60-K87 WeakPolarHBondContact CA-O 3.13Å; T61-K87 PolarHBondContact N-O 2.92Å; K87-L89 PolarHBondContact O-N 3.34Å
88L96.5Very high90.1Very high78 Ų7882.5 Ų82.541%0.40840%0.402SS..EExtended strand (participates in β ladder)trans-81.8122.3-179.3-169.367000111.3T61 N63 L66 F86T61-L88 HydrophobicContact CG2-CD1 4.25Å; N63-L88 WeakPolarHBondContact OD1-CD1 3.15Å; N63-L88 WeakPolarHBondContact OD1-CD2 3.49Å; L66-L88 HydrophobicContact CD1-CD1 3.79Å; F86-L88 PolarHBondContact O-N 3.08Å
89L95.2Very high89.6Confident23 Ų2389.5 Ų89.512%0.1243%0.425CS..EExtended strand (participates in β ladder)trans-89.8131.7173.2-63177.8000110.4L29 C60 T61 T62 K87 C91 L110 Y119L29-L89 HydrophobicContact CD2-CD1 3.31Å; C60-L89 HydrophobicContact CB-CD1 3.68Å; C60-L89 HydrophobicContact CB-CD2 4.35Å; C60-L89 HydrophobicContact CB-CG 3.83Å; T61-L89 PolarHBondContact O-N 3.26Å; T62-L89 HydrophobicContact CG2-CB 4.48Å; K87-L89 PolarHBondContact O-N 3.34Å; L89-C91 PolarHBondContact O-N 3.45Å; L89-L110 HydrophobicContact CD1-CD2 3.73Å; L89-Y119 HydrophobicContact CD1-CE1 3.97Å
90K91.3Very high89.1Confident201 Ų20192 Ų9287%0.87444%0.441SS*.PPolyproline II helixtrans-67.7121.1175.1-62.1-175.6179.2-175.90109.2
91C90Very high88.9Confident30 Ų3092 Ų9220%0.20344%0.443CS..  trans-114.3152.1169.960.10000108.9C64 L89 H93 C106C64-C91 VanDerWaalsContact SG-SG 3.62Å; L89-C91 PolarHBondContact O-N 3.45Å; C91-H93 VanDerWaalsContact C-N 3.25Å; C91-H93 PolarHBondContact O-N 2.73Å; C91-C106 VanDerWaalsContact CB-SG 3.6Å
92R86Confident88.7Confident254 Ų25490.3 Ų90.396%0.95844%0.437SS*.  trans-90.822.7-176.5-62.9-175.7179.3-176-1.2112.9
93H88.5Confident88.6Confident34 Ų3488.8 Ų88.816%0.15743%0.43CS..SBendtrans-94.6143.2-176.4-53.3124.2000110.1C91 L95 F101 C106 K109C91-H93 VanDerWaalsContact C-N 3.25Å; C91-H93 PolarHBondContact O-N 2.73Å; H93-L95 PolarHBondContact O-N 3.43Å; H93-F101 HydrophobicContact CB-CB 3.64Å; H93-F101 HydrophobicContact CB-CD1 3.94Å; H93-F101 HydrophobicContact CB-CD2 4.49Å; H93-F101 HydrophobicContact CB-CG 3.75Å; H93-F101 AromaticContact CD2-CD1 3.64Å; H93-F101 AromaticContact CD2-CE1 3.67Å; H93-F101 AromaticContact CD2-CG 3.87Å; H93-F101 AromaticContact CD2-CZ 3.98Å; H93-F101 AromaticContact CE1-CD1 3.73Å; H93-F101 AromaticContact CE1-CE1 3.55Å; H93-F101 AromaticContact CG-CD1 3.37Å; H93-F101 AromaticContact CG-CE1 3.84Å; H93-F101 AromaticContact CG-CG 3.63Å; H93-F101 AromaticContact ND1-CD1 3.42Å; H93-F101 WeakPolarHBondContact ND1-CD1 3.46Å; H93-F101 AromaticContact ND1-CE1 3.76Å; H93-F101 AromaticContact NE2-CD1 3.88Å; H93-F101 AromaticContact NE2-CE1 3.5Å; H93-F101 AromaticContact NE2-CZ 3.91Å; H93-C106 VanDerWaalsContact CE1-SG 3.52Å; H93-C106 PolarHBondContact ND1-SG 2.9Å; H93-K109 WeakPolarHBondContact NE2-CD 3.45Å
94A70.8Confident88.5Confident63 Ų6391.8 Ų91.852%0.52145%0.445SS..  trans-61.3129.9173.100000109.3L96A94-L96 HydrophobicContact CB-CD1 4.18Å; A94-L96 PolarHBondContact O-N 3.23Å
95L74.2Confident88.4Confident77 Ų7790.3 Ų90.340%0.40344%0.44SS..  trans-94.421.5178.7-56.4178.3000111.7N63 V67 H93 R97N63-L95 HydrophobicContact CB-CD1 3.77Å; N63-L95 HydrophobicContact CB-CD2 3.53Å; N63-L95 HydrophobicContact CB-CG 4.31Å; N63-L95 WeakPolarHBondContact ND2-CD1 3.2Å; V67-L95 HydrophobicContact CG2-CD2 4.44Å; H93-L95 PolarHBondContact O-N 3.43Å; L95-R97 PolarHBondContact O-N 2.7Å
96L75.1Confident88.3Confident110 Ų11084.3 Ų84.358%0.57641%0.412SS*.  trans-63.1119.6177.6-78.6155.1000108.8A94 S98 K99A94-L96 HydrophobicContact CB-CD1 4.18Å; A94-L96 PolarHBondContact O-N 3.23Å; L96-S98 PolarHBondContact O-N 2.87Å; L96-K99 CarbonylContact O-C 3.19Å; L96-K99 PolarHBondContact O-N 2.96Å; L96-K99 VanDerWaalsContact O-N 3.12Å
97R74.7Confident88.3Confident164 Ų16483.8 Ų83.862%0.61941%0.41SS*.THydrogen-bonded Turntrans-60.6-26.1177-69-171.717695.5-3.3112.8E70 L95 K99E70-R97 IonicContact OE1-CZ 3.41Å; E70-R97 IonicContact OE1-NE 3.16Å; E70-R97 PolarHBondContact OE1-NE 2.93Å; E70-R97 VanDerWaalsContact OE1-NE 3.16Å; E70-R97 IonicContact OE1-NH2 2.8Å; E70-R97 PolarHBondContact OE1-NH2 3.17Å; E70-R97 IonicContact OE2-NH2 3.74Å; L95-R97 PolarHBondContact O-N 2.7Å; R97-K99 VanDerWaalsContact C-N 3.34Å
98S80.2Confident88.2Confident109 Ų10980.8 Ų80.876%0.76240%0.398SS*.THydrogen-bonded Turntrans-69.2-29.8177.153.10000113.5L96L96-S98 PolarHBondContact O-N 2.87Å
99K84.9Confident88.1Confident173 Ų17383.1 Ų83.175%0.75241%0.405SS*.SBendtrans-14572.6179.3-166.6174.9-176.8174.80109.6L96 R97L96-K99 CarbonylContact O-C 3.19Å; L96-K99 PolarHBondContact O-N 2.96Å; L96-K99 VanDerWaalsContact O-N 3.12Å; R97-K99 VanDerWaalsContact C-N 3.34Å
100P87.8Confident88.1Confident53 Ų5383.5 Ų83.534%0.34441%0.407SS..PPolyproline II helixtrans-65.3141.4-177.931.8-39.6000110.1V67 L71V67-P100 HydrophobicContact CG1-CB 3.95Å; L71-P100 HydrophobicContact CD1-CB 3.64Å; L71-P100 HydrophobicContact CD1-CG 3.47Å; L71-P100 VanDerWaalsContact CD1-CG 3.47Å
101F92.5Very high88.3Confident45 Ų4574.3 Ų74.320%0.19737%0.367CS..PPolyproline II helixtrans-78.6127.4171.4-167.9-97.6000110H93 A103 Q105 C106 K109H93-F101 HydrophobicContact CB-CB 3.64Å; H93-F101 HydrophobicContact CB-CD1 3.94Å; H93-F101 HydrophobicContact CB-CD2 4.49Å; H93-F101 HydrophobicContact CB-CG 3.75Å; H93-F101 AromaticContact CD2-CD1 3.64Å; H93-F101 AromaticContact CD2-CE1 3.67Å; H93-F101 AromaticContact CD2-CG 3.87Å; H93-F101 AromaticContact CD2-CZ 3.98Å; H93-F101 AromaticContact CE1-CD1 3.73Å; H93-F101 AromaticContact CE1-CE1 3.55Å; H93-F101 AromaticContact CG-CD1 3.37Å; H93-F101 AromaticContact CG-CE1 3.84Å; H93-F101 AromaticContact CG-CG 3.63Å; H93-F101 AromaticContact ND1-CD1 3.42Å; H93-F101 WeakPolarHBondContact ND1-CD1 3.46Å; H93-F101 AromaticContact ND1-CE1 3.76Å; H93-F101 AromaticContact NE2-CD1 3.88Å; H93-F101 AromaticContact NE2-CE1 3.5Å; H93-F101 AromaticContact NE2-CZ 3.91Å; F101-A103 PolarHBondContact O-N 2.88Å; F101-Q105 HydrophobicContact CE1-CB 3.56Å; F101-Q105 HydrophobicContact CZ-CB 3.64Å; F101-C106 HydrophobicContact CD1-CB 3.99Å; F101-C106 HydrophobicContact CE1-CB 4.13Å; F101-K109 HydrophobicContact CE1-CD 4.32Å; F101-K109 HydrophobicContact CZ-CD 4.1Å
102P93.3Very high88.5Confident56 Ų5674.3 Ų74.336%0.36437%0.372SS..PPolyproline II helixtrans-55.8134-176.9-25.833.8000112.6I104 Q105 C106P102-I104 VanDerWaalsContact C-N 3.33Å; P102-I104 PolarHBondContact O-N 2.81Å; P102-Q105 HydrophobicContact CB-CB 4.37Å; P102-Q105 HydrophobicContact CB-CG 4.17Å; P102-Q105 PolarHBondContact O-N 3.4Å; P102-C106 PolarHBondContact O-N 2.88Å; P102-C106 VanDerWaalsContact O-N 3.08Å
103A94.8Very high88.8Confident2 Ų270.8 Ų70.82%0.01736%0.364CS..Hα-helixtrans-66.1-37.3-174.200000112.2C64 V65 E68 F101 Q105 C106 L107C64-A103 HydrophobicContact CB-CB 4.44Å; V65-A103 HydrophobicContact CB-CB 4.38Å; V65-A103 HydrophobicContact CG2-CB 3.77Å; E68-A103 HydrophobicContact CB-CB 4.25Å; E68-A103 HydrophobicContact CG-CB 4.48Å; E68-A103 VanDerWaalsContact OE1-CB 3.29Å; E68-A103 WeakPolarHBondContact OE1-CB 3.43Å; E68-A103 WeakPolarHBondContact OE2-CB 3.48Å; E68-A103 PolarHBondContact OE2-N 2.96Å; F101-A103 PolarHBondContact O-N 2.88Å; A103-Q105 PolarHBondContact O-N 2.79Å; A103-C106 WeakPolarHBondContact O-CA 3.41Å; A103-C106 VanDerWaalsContact O-CB 3.29Å; A103-C106 WeakPolarHBondContact O-CB 3.48Å; A103-C106 PolarHBondContact O-N 3.21Å; A103-C106 VanDerWaalsContact O-N 3.08Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 2.82Å
104I95Very high89Confident64 Ų6473.1 Ų73.133%0.32838%0.381SS..Hα-helixtrans-56.2-50.6176.1-65167.8000110.5P102 C106 L107 Q108 D125 F128P102-I104 VanDerWaalsContact C-N 3.33Å; P102-I104 PolarHBondContact O-N 2.81Å; I104-C106 VanDerWaalsContact C-N 3.26Å; I104-C106 PolarHBondContact O-N 3.24Å; I104-L107 PolarHBondContact O-N 3.4Å; I104-Q108 WeakPolarHBondContact O-CG 3.47Å; I104-Q108 PolarHBondContact O-N 3.48Å; I104-D125 WeakPolarHBondContact CD1-OD2 3.23Å; I104-F128 HydrophobicContact CG2-CB 4.09Å; I104-F128 HydrophobicContact CG2-CD2 3.64Å; I104-F128 HydrophobicContact CG2-CE2 4.37Å; I104-F128 HydrophobicContact CG2-CG 4.02Å
105Q94.6Very high90.2Very high91 Ų9170.1 Ų70.143%0.42536%0.356SS..Hα-helixtrans-63.9-33.7178-65.4-1767.600111.7F101 P102 A103 K109F101-Q105 HydrophobicContact CE1-CB 3.56Å; F101-Q105 HydrophobicContact CZ-CB 3.64Å; P102-Q105 HydrophobicContact CB-CB 4.37Å; P102-Q105 HydrophobicContact CB-CG 4.17Å; P102-Q105 PolarHBondContact O-N 3.4Å; A103-Q105 PolarHBondContact O-N 2.79Å; Q105-K109 WeakPolarHBondContact O-CB 3.26Å; Q105-K109 WeakPolarHBondContact O-CG 3.36Å; Q105-K109 PolarHBondContact O-N 2.88Å
106C95.5Very high91.2Very high1 Ų175 Ų751%0.00737%0.374CS..Hα-helixtrans-64.2-46.8176.4-178.70000110.9C64 C91 H93 F101 P102 A103 I104 K109 L110C64-C106 HydrophobicContact CB-CB 3.71Å; C91-C106 VanDerWaalsContact CB-SG 3.6Å; H93-C106 VanDerWaalsContact CE1-SG 3.52Å; H93-C106 PolarHBondContact ND1-SG 2.9Å; F101-C106 HydrophobicContact CD1-CB 3.99Å; F101-C106 HydrophobicContact CE1-CB 4.13Å; P102-C106 PolarHBondContact O-N 2.88Å; P102-C106 VanDerWaalsContact O-N 3.08Å; A103-C106 WeakPolarHBondContact O-CA 3.41Å; A103-C106 VanDerWaalsContact O-CB 3.29Å; A103-C106 WeakPolarHBondContact O-CB 3.48Å; A103-C106 PolarHBondContact O-N 3.21Å; A103-C106 VanDerWaalsContact O-N 3.08Å; I104-C106 VanDerWaalsContact C-N 3.26Å; I104-C106 PolarHBondContact O-N 3.24Å; C106-K109 PolarHBondContact O-N 2.65Å; C106-L110 WeakPolarHBondContact O-CB 3.31Å; C106-L110 PolarHBondContact O-N 3.49Å
107L95.9Very high92.1Very high4 Ų476.1 Ų76.12%0.02137%0.37CS..Hα-helixtrans-63.9-43.7177.9-66.6173.7000111.2L29 D31 T62 V65 A103 I104 K109 L110 I111 F128L29-L107 HydrophobicContact CD1-CD2 4.48Å; D31-L107 HydrophobicContact CB-CD1 3.88Å; T62-L107 HydrophobicContact CG2-CD2 4.06Å; V65-L107 HydrophobicContact CG2-CD1 4.43Å; A103-L107 WeakPolarHBondContact O-CG 3.33Å; A103-L107 PolarHBondContact O-N 2.82Å; I104-L107 PolarHBondContact O-N 3.4Å; L107-K109 PolarHBondContact O-N 2.96Å; L107-L110 PolarHBondContact O-N 2.93Å; L107-L110 VanDerWaalsContact O-N 3.14Å; L107-I111 WeakPolarHBondContact O-CD1 3.26Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.27Å; L107-I111 PolarHBondContact O-N 3.19Å; L107-F128 HydrophobicContact CB-CE1 4.38Å; L107-F128 HydrophobicContact CB-CE2 4.29Å; L107-F128 HydrophobicContact CB-CZ 3.7Å; L107-F128 HydrophobicContact CD1-CE1 4.11Å; L107-F128 HydrophobicContact CD1-CZ 4.26Å
108Q95.5Very high93.1Very high64 Ų6471.4 Ų71.430%0.29935%0.354SS..Hα-helixtrans-56.2-49174.5-72.4176.2-21.900111.8I104 L110 I111 G112 F128 V132I104-Q108 WeakPolarHBondContact O-CG 3.47Å; I104-Q108 PolarHBondContact O-N 3.48Å; Q108-L110 VanDerWaalsContact C-N 3.29Å; Q108-L110 PolarHBondContact O-N 2.95Å; Q108-I111 PolarHBondContact O-N 3.43Å; Q108-G112 PolarHBondContact O-N 2.84Å; Q108-F128 HydrophobicContact CG-CD2 3.96Å; Q108-F128 HydrophobicContact CG-CE2 3.54Å; Q108-V132 HydrophobicContact CG-CG2 4.33Å
109K94.2Very high93.9Very high128 Ų12866.3 Ų66.356%0.55732%0.319SS*.Hα-helixtrans-62.5-35.8177-74.7177178.5-179.50112.6H93 F101 Q105 C106 L107H93-K109 WeakPolarHBondContact NE2-CD 3.45Å; F101-K109 HydrophobicContact CE1-CD 4.32Å; F101-K109 HydrophobicContact CZ-CD 4.1Å; Q105-K109 WeakPolarHBondContact O-CB 3.26Å; Q105-K109 WeakPolarHBondContact O-CG 3.36Å; Q105-K109 PolarHBondContact O-N 2.88Å; C106-K109 PolarHBondContact O-N 2.65Å; L107-K109 PolarHBondContact O-N 2.96Å
110L94.6Very high94.5Very high31 Ų3158.1 Ų58.116%0.16228%0.283CS..Hα-helixtrans-71.8-38.9-179.9-17569.4000112.7L29 T62 L89 C106 L107 Q108 Y119L29-L110 HydrophobicContact CD1-CD2 3.87Å; L29-L110 HydrophobicContact CD2-CD2 3.76Å; T62-L110 HydrophobicContact CG2-CD2 3.91Å; L89-L110 HydrophobicContact CD1-CD2 3.73Å; C106-L110 WeakPolarHBondContact O-CB 3.31Å; C106-L110 PolarHBondContact O-N 3.49Å; L107-L110 PolarHBondContact O-N 2.93Å; L107-L110 VanDerWaalsContact O-N 3.14Å; Q108-L110 VanDerWaalsContact C-N 3.29Å; Q108-L110 PolarHBondContact O-N 2.95Å; L110-Y119 HydrophobicContact CD1-CE2 4.48Å; L110-Y119 HydrophobicContact CD2-CE2 4.35Å; L110-Y119 HydrophobicContact CG-CE2 3.95Å
111I95.6Very high95Very high7 Ų755.6 Ų55.64%0.03627%0.266CS..Hα-helixtrans-68.5-48.4174.5-62.7160.3000108.9L29 L107 Q108 N115 V121 F128 V136L29-I111 HydrophobicContact CD1-CG1 4.11Å; L107-I111 WeakPolarHBondContact O-CD1 3.26Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.27Å; L107-I111 PolarHBondContact O-N 3.19Å; Q108-I111 PolarHBondContact O-N 3.43Å; I111-N115 HydrophobicContact CG2-CB 3.96Å; I111-N115 VanDerWaalsContact O-CA 3.25Å; I111-N115 WeakPolarHBondContact O-CA 3.5Å; I111-N115 PolarHBondContact O-N 3.39Å; I111-V121 HydrophobicContact CD1-CG2 3.66Å; I111-V121 HydrophobicContact CG1-CG2 4.25Å; I111-F128 HydrophobicContact CD1-CZ 3.96Å; I111-V136 HydrophobicContact CG2-CG1 4.21Å; I111-V136 HydrophobicContact CG2-CG2 4.21Å
112G93.8Very high95.3Very high30 Ų3053.4 Ų53.431%0.30926%0.257SS..THydrogen-bonded Turntrans64.6179-175.300000112.8Q108 T114 V136Q108-G112 PolarHBondContact O-N 2.84Å; G112-T114 VanDerWaalsContact C-N 3.32Å; G112-T114 PolarHBondContact O-N 3.4Å; G112-V136 VanDerWaalsContact O-CG2 3.32Å; G112-V136 WeakPolarHBondContact O-CG2 3.28Å
113K93Very high95.5Very high180 Ų18050.8 Ų50.878%0.78324%0.24SC*.THydrogen-bonded Turntrans-62.1-33.2-172.8-63.5-173.8176.9-174.10114.7
114T93Very high95.6Very high84 Ų8452.4 Ų52.452%0.51525%0.247SC..THydrogen-bonded Turntrans-111.1-0.4-17358.60000114.3G112 K116G112-T114 VanDerWaalsContact C-N 3.32Å; G112-T114 PolarHBondContact O-N 3.4Å; T114-K116 VanDerWaalsContact C-N 3.32Å; T114-K116 PolarHBondContact O-N 3.24Å; T114-K116 WeakPolarHBondContact OG1-CG 3.2Å
115N95.8Very high95.6Very high0 Ų050.9 Ų50.90%024%0.24CC..THydrogen-bonded Turntrans47.952.4-173.5-167.68.5000112.6I111 R117 K118 Y119 V136 V138I111-N115 HydrophobicContact CG2-CB 3.96Å; I111-N115 VanDerWaalsContact O-CA 3.25Å; I111-N115 WeakPolarHBondContact O-CA 3.5Å; I111-N115 PolarHBondContact O-N 3.39Å; N115-R117 PolarHBondContact O-N 3.11Å; N115-K118 PolarHBondContact O-N 3.34Å; N115-K118 PolarHBondContact OD1-N 3.36Å; N115-Y119 PolarHBondContact ND2-N 3.46Å; N115-Y119 PolarHBondContact ND2-O 3.11Å; N115-Y119 PolarHBondContact OD1-N 2.9Å; N115-V136 HydrophobicContact CB-CG1 4.04Å; N115-V138 VanDerWaalsContact CB-O 3.26Å; N115-V138 WeakPolarHBondContact CB-O 3.47Å; N115-V138 PolarHBondContact ND2-O 3.45Å
116K94.4Very high95.7Very high178 Ų17848.7 Ų48.777%0.77424%0.237SC*.THydrogen-bonded Turntrans-53.1-34.7-174.2-63.9-170.9177.6-176.80113.2T114 K118T114-K116 VanDerWaalsContact C-N 3.32Å; T114-K116 PolarHBondContact O-N 3.24Å; T114-K116 WeakPolarHBondContact OG1-CG 3.2Å; K116-K118 VanDerWaalsContact C-N 3.32Å
117R94.4Very high95.8Very high134 Ų13456.1 Ų56.151%0.50627%0.271SS..THydrogen-bonded Turntrans-882.7-178.1-66.5-177.8178.6174.81.2113.9N115 Y119N115-R117 PolarHBondContact O-N 3.11Å; R117-Y119 HydrophobicContact CB-CD2 3.88Å; R117-Y119 HydrophobicContact CB-CE1 4.43Å; R117-Y119 HydrophobicContact CB-CE2 3.44Å; R117-Y119 VanDerWaalsContact CB-CE2 3.44Å; R117-Y119 WeakPolarHBondContact CD-OH 3.36Å; R117-Y119 HydrophobicContact CG-CE2 4.15Å; R117-Y119 PolarHBondContact NH1-OH 3.13Å; R117-Y119 PolarHBondContact O-N 3.25Å
118K95.8Very high95.8Very high65 Ų6556 Ų5628%0.28327%0.271SS..  trans55.149.7174.2-50.9-65.8178165.30112.5Y20 F22 N115 K116Y20-K118 WeakPolarHBondContact O-CD 3.25Å; Y20-K118 VanDerWaalsContact O-CE 3.24Å; Y20-K118 WeakPolarHBondContact O-CE 3.24Å; Y20-K118 PolarHBondContact O-NZ 3.43Å; F22-K118 HydrophobicContact CD1-CB 3.97Å; F22-K118 HydrophobicContact CD2-CB 4.36Å; F22-K118 HydrophobicContact CD2-CD 4.05Å; F22-K118 HydrophobicContact CE1-CB 3.8Å; F22-K118 VanDerWaalsContact CE1-O 3.26Å; F22-K118 WeakPolarHBondContact CE1-O 3.36Å; F22-K118 HydrophobicContact CE2-CB 4.2Å; F22-K118 HydrophobicContact CE2-CD 3.7Å; F22-K118 HydrophobicContact CE2-CG 4.47Å; F22-K118 HydrophobicContact CG-CB 4.26Å; F22-K118 HydrophobicContact CZ-CB 3.92Å; F22-K118 HydrophobicContact CZ-CD 4.11Å; N115-K118 PolarHBondContact O-N 3.34Å; N115-K118 PolarHBondContact OD1-N 3.36Å; K116-K118 VanDerWaalsContact C-N 3.32Å
119Y97.2Very high95.8Very high3 Ų354.7 Ų54.71%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-72.8140.3175.9-67-64.1000111.1R27 L29 L89 L110 N115 R117 P140R27-Y119 HydrophobicContact CB-CD1 3.77Å; R27-Y119 HydrophobicContact CB-CE1 4.09Å; R27-Y119 WeakPolarHBondContact O-CA 3.49Å; L29-Y119 HydrophobicContact CD1-CD1 3.81Å; L29-Y119 HydrophobicContact CD1-CD2 3.7Å; L29-Y119 HydrophobicContact CD1-CE1 4.34Å; L29-Y119 HydrophobicContact CD1-CE2 4.23Å; L29-Y119 HydrophobicContact CD1-CG 3.46Å; L29-Y119 VanDerWaalsContact CD1-CG 3.46Å; L29-Y119 HydrophobicContact CD2-CD1 3.79Å; L29-Y119 HydrophobicContact CD2-CE1 3.78Å; L29-Y119 HydrophobicContact CD2-CG 4.31Å; L29-Y119 HydrophobicContact CG-CD1 3.5Å; L29-Y119 HydrophobicContact CG-CD2 4.35Å; L29-Y119 HydrophobicContact CG-CE1 4.04Å; L29-Y119 HydrophobicContact CG-CG 3.68Å; L89-Y119 HydrophobicContact CD1-CE1 3.97Å; L110-Y119 HydrophobicContact CD1-CE2 4.48Å; L110-Y119 HydrophobicContact CD2-CE2 4.35Å; L110-Y119 HydrophobicContact CG-CE2 3.95Å; N115-Y119 PolarHBondContact ND2-N 3.46Å; N115-Y119 PolarHBondContact ND2-O 3.11Å; N115-Y119 PolarHBondContact OD1-N 2.9Å; R117-Y119 HydrophobicContact CB-CD2 3.88Å; R117-Y119 HydrophobicContact CB-CE1 4.43Å; R117-Y119 HydrophobicContact CB-CE2 3.44Å; R117-Y119 VanDerWaalsContact CB-CE2 3.44Å; R117-Y119 WeakPolarHBondContact CD-OH 3.36Å; R117-Y119 HydrophobicContact CG-CE2 4.15Å; R117-Y119 PolarHBondContact NH1-OH 3.13Å; R117-Y119 PolarHBondContact O-N 3.25Å; Y119-P140 WeakPolarHBondContact O-CD 3.44Å
120I97.7Very high95.9Very high0 Ų052.2 Ų52.20%026%0.256CS..EExtended strand (participates in β ladder)trans-98.8130.4160.7-55.6-175.5000106.3L13 F22 Y26 R27 V28 L29 P140 L142 F151L13-I120 HydrophobicContact CD2-CD1 4.36Å; F22-I120 HydrophobicContact CD1-CG1 4.3Å; F22-I120 HydrophobicContact CE1-CG1 4.09Å; Y26-I120 HydrophobicContact CD1-CD1 4.34Å; Y26-I120 HydrophobicContact CG-CD1 4.2Å; R27-I120 PolarHBondContact O-N 3.29Å; V28-I120 CarbonylContact C-O 3.59Å; V28-I120 WeakPolarHBondContact CA-O 3.47Å; V28-I120 HydrophobicContact CG2-CB 4.15Å; V28-I120 HydrophobicContact CG2-CG2 4.47Å; L29-I120 PolarHBondContact N-O 3.37Å; I120-P140 HydrophobicContact CG1-CG 4.14Å; I120-P140 HydrophobicContact CG2-CB 4.26Å; I120-L142 HydrophobicContact CG2-CD1 3.61Å; I120-L142 HydrophobicContact CG2-CG 3.77Å; I120-F151 HydrophobicContact CD1-CE1 4.46Å; I120-F151 HydrophobicContact CD1-CZ 4.39Å; I120-F151 HydrophobicContact CG2-CE1 4.08Å
121V98Very high95.9Very high0 Ų053.7 Ų53.70%027%0.266CS..EExtended strand (participates in β ladder)trans-105126.8-174.4179.80000109.9L29 I111 T123 F128 C139 P140 F141 L142L29-V121 HydrophobicContact CB-CG2 4.41Å; L29-V121 HydrophobicContact CD1-CG2 4.38Å; L29-V121 CarbonylContact O-C 3.46Å; I111-V121 HydrophobicContact CD1-CG2 3.66Å; I111-V121 HydrophobicContact CG1-CG2 4.25Å; V121-T123 HydrophobicContact CG1-CG2 3.96Å; V121-F128 HydrophobicContact CG1-CE1 3.78Å; V121-F128 HydrophobicContact CG1-CZ 4.35Å; V121-C139 VanDerWaalsContact CG2-SG 3.52Å; V121-P140 PolarHBondContact N-O 3.11Å; V121-F141 HydrophobicContact CB-CD1 3.62Å; V121-F141 HydrophobicContact CB-CE1 3.56Å; V121-F141 HydrophobicContact CG1-CD1 3.86Å; V121-F141 HydrophobicContact CG1-CE1 3.65Å; V121-F141 HydrophobicContact CG2-CE1 4.22Å; V121-F141 CarbonylContact O-C 3.44Å; V121-F141 WeakPolarHBondContact O-CA 3.29Å; V121-L142 PolarHBondContact O-N 2.91Å
122A98.2Very high95.9Very high0 Ų053.4 Ų53.40%027%0.265CS..EExtended strand (participates in β ladder)trans-104.9107.7174.200000108.5V28 L29 V30 D31 F34 L142V28-A122 HydrophobicContact CG1-CB 3.81Å; L29-A122 PolarHBondContact O-N 2.66Å; V30-A122 HydrophobicContact CG2-CB 4.11Å; D31-A122 PolarHBondContact N-O 2.98Å; F34-A122 WeakPolarHBondContact CB-O 3.38Å; F34-A122 HydrophobicContact CD1-CB 3.96Å; F34-A122 HydrophobicContact CD2-CB 3.8Å; F34-A122 HydrophobicContact CE1-CB 3.99Å; F34-A122 HydrophobicContact CE2-CB 3.81Å; F34-A122 HydrophobicContact CG-CB 3.86Å; F34-A122 HydrophobicContact CZ-CB 3.91Å; A122-L142 WeakPolarHBondContact CA-O 3.22Å; A122-L142 HydrophobicContact CB-CB 4.07Å
123T97.9Very high96Very high0 Ų053.7 Ų53.70%026%0.258CS..  trans-150.7151.4-173.7-179.40000110.1D31 V121 D125 F128 R129 F141 L142 L143D31-T123 WeakPolarHBondContact OD1-CA 3.35Å; D31-T123 VanDerWaalsContact OD2-CB 3.22Å; D31-T123 WeakPolarHBondContact OD2-CB 3.42Å; D31-T123 PolarHBondContact OD2-OG1 2.82Å; V121-T123 HydrophobicContact CG1-CG2 3.96Å; T123-D125 PolarHBondContact OG1-N 2.68Å; T123-F128 HydrophobicContact CG2-CD1 3.95Å; T123-F128 HydrophobicContact CG2-CE1 4.22Å; T123-R129 HydrophobicContact CG2-CG 3.53Å; T123-F141 HydrophobicContact CG2-CD1 3.71Å; T123-F141 HydrophobicContact CG2-CE1 4Å; T123-L142 PolarHBondContact N-O 3.06Å; T123-L143 WeakPolarHBondContact O-CD2 3.16Å
124Q96.9Very high96Very high37 Ų3752.2 Ų52.217%0.17325%0.254CS..  trans-107.9-4.1172.3-65.1-76.640.900113T33 F34 H37 A126 I144T33-Q124 PolarHBondContact OG1-N 2.91Å; F34-Q124 HydrophobicContact CD2-CG 4.44Å; H37-Q124 HydrophobicContact CB-CG 4.04Å; Q124-A126 PolarHBondContact O-N 3.27Å; Q124-I144 VanDerWaalsContact NE2-CB 3.28Å; Q124-I144 PolarHBondContact NE2-O 3.04Å
125D96.6Very high96Very high32 Ų3251.8 Ų51.817%0.17125%0.254CS..  trans-72120.7175.8-176.9-11.9000110I104 T123 Q127 F128 R129I104-D125 WeakPolarHBondContact CD1-OD2 3.23Å; T123-D125 PolarHBondContact OG1-N 2.68Å; D125-Q127 PolarHBondContact OD1-N 3.32Å; D125-F128 HydrophobicContact CB-CB 3.95Å; D125-F128 PolarHBondContact OD1-N 2.9Å; D125-F128 VanDerWaalsContact OD1-N 3.16Å; D125-F128 WeakPolarHBondContact OD2-CB 3.41Å; D125-R129 VanDerWaalsContact O-CG 3.24Å; D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 3.42Å; D125-R129 PolarHBondContact O-NE 3.01Å
126A96.3Very high96Very high45 Ų4552.1 Ų52.137%0.37226%0.256SS..Hα-helixtrans-73.2-43.8176.700000112Q124 F128 R129 D130Q124-A126 PolarHBondContact O-N 3.27Å; A126-F128 VanDerWaalsContact C-N 3.33Å; A126-F128 PolarHBondContact O-N 3.22Å; A126-R129 WeakPolarHBondContact O-CB 3.41Å; A126-R129 PolarHBondContact O-N 2.88Å; A126-R129 VanDerWaalsContact O-N 3.13Å; A126-D130 VanDerWaalsContact O-CG 3.31Å; A126-D130 PolarHBondContact O-N 2.59Å
127Q96.4Very high95.9Very high156 Ų15647.6 Ų47.673%0.72924%0.24SC*.Hα-helixtrans-63-42.7-176.5-64.6-176.8-18.600111D125 D130 T131D125-Q127 PolarHBondContact OD1-N 3.32Å; Q127-D130 PolarHBondContact O-N 3.39Å; Q127-T131 WeakPolarHBondContact O-CB 3.4Å; Q127-T131 PolarHBondContact O-N 2.96Å; Q127-T131 PolarHBondContact O-OG1 3.17Å
128F96.3Very high96Very high3 Ų341.5 Ų41.51%0.01322%0.218CC..Hα-helixtrans-63-42.1175.6172.3-130.2000112.2I104 L107 Q108 I111 V121 T123 D125 A126 V132I104-F128 HydrophobicContact CG2-CB 4.09Å; I104-F128 HydrophobicContact CG2-CD2 3.64Å; I104-F128 HydrophobicContact CG2-CE2 4.37Å; I104-F128 HydrophobicContact CG2-CG 4.02Å; L107-F128 HydrophobicContact CB-CE1 4.38Å; L107-F128 HydrophobicContact CB-CE2 4.29Å; L107-F128 HydrophobicContact CB-CZ 3.7Å; L107-F128 HydrophobicContact CD1-CE1 4.11Å; L107-F128 HydrophobicContact CD1-CZ 4.26Å; Q108-F128 HydrophobicContact CG-CD2 3.96Å; Q108-F128 HydrophobicContact CG-CE2 3.54Å; I111-F128 HydrophobicContact CD1-CZ 3.96Å; V121-F128 HydrophobicContact CG1-CE1 3.78Å; V121-F128 HydrophobicContact CG1-CZ 4.35Å; T123-F128 HydrophobicContact CG2-CD1 3.95Å; T123-F128 HydrophobicContact CG2-CE1 4.22Å; D125-F128 HydrophobicContact CB-CB 3.95Å; D125-F128 PolarHBondContact OD1-N 2.9Å; D125-F128 VanDerWaalsContact OD1-N 3.16Å; D125-F128 WeakPolarHBondContact OD2-CB 3.41Å; A126-F128 VanDerWaalsContact C-N 3.33Å; A126-F128 PolarHBondContact O-N 3.22Å; F128-V132 HydrophobicContact CD2-CG2 3.78Å; F128-V132 HydrophobicContact CE2-CG2 3.37Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 WeakPolarHBondContact O-CG2 3.4Å; F128-V132 PolarHBondContact O-N 3.46Å; F128-V132 VanDerWaalsContact O-N 3.1Å
129R96.3Very high96Very high35 Ų3538.9 Ų38.913%0.13221%0.208CC..Hα-helixtrans-62.5-46.4177.6-74.7-174.5-62.6141.5-3.8112T123 D125 A126 V132 K133 F141 L143 D152T123-R129 HydrophobicContact CG2-CG 3.53Å; D125-R129 VanDerWaalsContact O-CG 3.24Å; D125-R129 WeakPolarHBondContact O-CG 3.44Å; D125-R129 PolarHBondContact O-N 3.42Å; D125-R129 PolarHBondContact O-NE 3.01Å; A126-R129 WeakPolarHBondContact O-CB 3.41Å; A126-R129 PolarHBondContact O-N 2.88Å; A126-R129 VanDerWaalsContact O-N 3.13Å; R129-V132 PolarHBondContact O-N 2.98Å; R129-K133 WeakPolarHBondContact O-CB 3.4Å; R129-K133 VanDerWaalsContact O-CG 3.28Å; R129-K133 WeakPolarHBondContact O-CG 3.39Å; R129-K133 PolarHBondContact O-N 3.38Å; R129-F141 HydrophobicContact CB-CE1 4.46Å; R129-F141 HydrophobicContact CB-CE2 4.48Å; R129-F141 HydrophobicContact CB-CZ 4.43Å; R129-F141 HydrophobicContact CG-CB 4.48Å; R129-F141 HydrophobicContact CG-CD1 3.6Å; R129-F141 HydrophobicContact CG-CD2 4.29Å; R129-F141 HydrophobicContact CG-CE1 3.77Å; R129-F141 HydrophobicContact CG-CE2 4.46Å; R129-F141 HydrophobicContact CG-CG 3.86Å; R129-F141 HydrophobicContact CG-CZ 4.21Å; R129-L143 VanDerWaalsContact NH1-CD1 3.27Å; R129-D152 IonicContact CZ-OD2 3.78Å; R129-D152 VanDerWaalsContact NH1-CG 3.3Å; R129-D152 IonicContact NH1-OD1 2.7Å; R129-D152 IonicContact NH1-OD2 2.59Å; R129-D152 PolarHBondContact NH1-OD2 3.41Å
130D95.3Very high96Very high76 Ų7638.8 Ų38.841%0.40621%0.207SC..Hα-helixtrans-65.5-46.1-177.2-63.6-23.4000110.4A126 Q127 V132 K133 E134A126-D130 VanDerWaalsContact O-CG 3.31Å; A126-D130 PolarHBondContact O-N 2.59Å; Q127-D130 PolarHBondContact O-N 3.39Å; D130-V132 VanDerWaalsContact C-N 3.28Å; D130-V132 PolarHBondContact O-N 2.91Å; D130-K133 PolarHBondContact O-N 3.25Å; D130-K133 VanDerWaalsContact O-N 3.13Å; D130-E134 WeakPolarHBondContact O-CG 3.3Å; D130-E134 PolarHBondContact O-N 3.39Å
131T95.4Very high96Very high62 Ų6238.9 Ų38.938%0.3821%0.208SC..Hα-helixtrans-54.8-42.8174.7-53.70000112.3Q127 S135Q127-T131 WeakPolarHBondContact O-CB 3.4Å; Q127-T131 PolarHBondContact O-N 2.96Å; Q127-T131 PolarHBondContact O-OG1 3.17Å; T131-S135 WeakPolarHBondContact O-CB 3.39Å; T131-S135 PolarHBondContact O-N 3.1Å; T131-S135 VanDerWaalsContact O-N 3.08Å; T131-S135 PolarHBondContact O-OG 2.8Å
132V95.8Very high96Very high2 Ų238.9 Ų38.91%0.01221%0.208CC..Hα-helixtrans-76.1-35.9-179.7172.60000111.9Q108 F128 R129 D130 E134 S135 V136 C139 F141Q108-V132 HydrophobicContact CG-CG2 4.33Å; F128-V132 HydrophobicContact CD2-CG2 3.78Å; F128-V132 HydrophobicContact CE2-CG2 3.37Å; F128-V132 HydrophobicContact CZ-CG2 4.04Å; F128-V132 WeakPolarHBondContact O-CG2 3.4Å; F128-V132 PolarHBondContact O-N 3.46Å; F128-V132 VanDerWaalsContact O-N 3.1Å; R129-V132 PolarHBondContact O-N 2.98Å; D130-V132 VanDerWaalsContact C-N 3.28Å; D130-V132 PolarHBondContact O-N 2.91Å; V132-E134 PolarHBondContact O-N 3.46Å; V132-S135 PolarHBondContact O-N 3.06Å; V132-V136 HydrophobicContact CG1-CB 4.03Å; V132-V136 HydrophobicContact CG1-CG2 3.89Å; V132-V136 WeakPolarHBondContact O-CA 3.12Å; V132-V136 VanDerWaalsContact O-CB 3.28Å; V132-V136 WeakPolarHBondContact O-CB 3.49Å; V132-V136 PolarHBondContact O-N 3.05Å; V132-C139 HydrophobicContact CG1-CB 3.71Å; V132-F141 HydrophobicContact CB-CE2 4.36Å; V132-F141 HydrophobicContact CB-CZ 3.71Å; V132-F141 HydrophobicContact CG1-CE2 4.13Å; V132-F141 HydrophobicContact CG1-CZ 3.59Å; V132-F141 HydrophobicContact CG2-CZ 4.45Å
133K94.7Very high95.9Very high35 Ų3539.9 Ų39.915%0.15221%0.213CC..Hα-helixtrans-63.8-30.3176-77.7174.5-176.7169.90112.8R129 D130 F141 D152 S155R129-K133 WeakPolarHBondContact O-CB 3.4Å; R129-K133 VanDerWaalsContact O-CG 3.28Å; R129-K133 WeakPolarHBondContact O-CG 3.39Å; R129-K133 PolarHBondContact O-N 3.38Å; D130-K133 PolarHBondContact O-N 3.25Å; D130-K133 VanDerWaalsContact O-N 3.13Å; K133-F141 HydrophobicContact CG-CD2 4.36Å; K133-F141 HydrophobicContact CG-CE2 3.96Å; K133-D152 WeakPolarHBondContact CE-OD2 3.45Å; K133-D152 IonicContact NZ-OD1 3.86Å; K133-D152 IonicContact NZ-OD2 2.73Å; K133-D152 PolarHBondContact NZ-OD2 2.85Å; K133-S155 PolarHBondContact O-OG 2.96Å
134E93.6Very high95.9Very high150 Ų15040.4 Ų40.470%0.70122%0.215SC*.Hα-helixtrans-79.1-44.5175-70.4172.8-172.600111.9D130 V132D130-E134 WeakPolarHBondContact O-CG 3.3Å; D130-E134 PolarHBondContact O-N 3.39Å; V132-E134 PolarHBondContact O-N 3.46Å
135S93.2Very high95.7Very high74 Ų7443.3 Ų43.352%0.51723%0.229SC..Hα-helixtrans-87.1-21.9-172.559.30000115.3T131 V132T131-S135 WeakPolarHBondContact O-CB 3.39Å; T131-S135 PolarHBondContact O-N 3.1Å; T131-S135 VanDerWaalsContact O-N 3.08Å; T131-S135 PolarHBondContact O-OG 2.8Å; V132-S135 PolarHBondContact O-N 3.06Å
136V94.9Very high95.4Very high7 Ų749.6 Ų49.64%0.04226%0.255CS..  trans-120124.9-173.7-177.30000110.1I111 G112 N115 V132 V138 C139I111-V136 HydrophobicContact CG2-CG1 4.21Å; I111-V136 HydrophobicContact CG2-CG2 4.21Å; G112-V136 VanDerWaalsContact O-CG2 3.32Å; G112-V136 WeakPolarHBondContact O-CG2 3.28Å; N115-V136 HydrophobicContact CB-CG1 4.04Å; V132-V136 HydrophobicContact CG1-CB 4.03Å; V132-V136 HydrophobicContact CG1-CG2 3.89Å; V132-V136 WeakPolarHBondContact O-CA 3.12Å; V132-V136 VanDerWaalsContact O-CB 3.28Å; V132-V136 WeakPolarHBondContact O-CB 3.49Å; V132-V136 PolarHBondContact O-N 3.05Å; V136-V138 VanDerWaalsContact C-N 3.27Å; V136-V138 PolarHBondContact O-N 3.22Å; V136-C139 HydrophobicContact CG1-CB 4.17Å
137L93.4Very high95.1Very high83 Ų8355.1 Ų55.144%0.43527%0.271SS..SBendtrans-55.3-42.6-178.8-173.869.2000112.3Y20 C158 A161Y20-L137 HydrophobicContact CE1-CD2 4.33Å; L137-C158 WeakPolarHBondContact O-CA 3.48Å; L137-C158 WeakPolarHBondContact O-CB 3.37Å; L137-A161 HydrophobicContact CD1-CB 3.79Å
138V95.3Very high95Very high7 Ų749.1 Ų49.14%0.04225%0.246CC..  trans-139.8106.1-175.5-168.80000111.9L16 Y20 F22 N115 V136L16-V138 HydrophobicContact CD2-CG1 3.82Å; Y20-V138 HydrophobicContact CD1-CG2 3.5Å; Y20-V138 HydrophobicContact CD2-CB 4.44Å; Y20-V138 HydrophobicContact CD2-CG1 3.8Å; Y20-V138 HydrophobicContact CD2-CG2 3.77Å; Y20-V138 HydrophobicContact CE1-CG2 3.33Å; Y20-V138 HydrophobicContact CE2-CG1 4.23Å; Y20-V138 HydrophobicContact CE2-CG2 3.63Å; Y20-V138 HydrophobicContact CG-CB 4.38Å; Y20-V138 HydrophobicContact CG-CG1 4Å; Y20-V138 HydrophobicContact CG-CG2 3.69Å; F22-V138 HydrophobicContact CE2-CG1 3.75Å; F22-V138 HydrophobicContact CZ-CG1 4.17Å; N115-V138 VanDerWaalsContact CB-O 3.26Å; N115-V138 WeakPolarHBondContact CB-O 3.47Å; N115-V138 PolarHBondContact ND2-O 3.45Å; V136-V138 VanDerWaalsContact C-N 3.27Å; V136-V138 PolarHBondContact O-N 3.22Å
139C96.2Very high95Very high10 Ų1049 Ų497%0.06825%0.245CC..  trans-145.5108.5168.9-171.80000109.8V121 V132 V136 F141V121-C139 VanDerWaalsContact CG2-SG 3.52Å; V132-C139 HydrophobicContact CG1-CB 3.71Å; V136-C139 HydrophobicContact CG1-CB 4.17Å; C139-F141 HydrophobicContact CB-CE2 4.24Å; C139-F141 HydrophobicContact CB-CZ 4.4Å; C139-F141 WeakPolarHBondContact O-CD2 3.32Å; C139-F141 WeakPolarHBondContact O-CE2 3.33Å
140P97.2Very high94.9Very high0 Ų049.6 Ų49.60%025%0.25CS..  trans-78.7140.8176.9-2.619.7000110.5L16 F22 Y119 I120 V121 F151 L154L16-P140 HydrophobicContact CD1-CB 3.84Å; L16-P140 HydrophobicContact CD1-CG 3.36Å; L16-P140 HydrophobicContact CD2-CG 3.91Å; L16-P140 HydrophobicContact CG-CG 4.28Å; F22-P140 HydrophobicContact CE1-CG 3.91Å; F22-P140 HydrophobicContact CZ-CG 4.02Å; Y119-P140 WeakPolarHBondContact O-CD 3.44Å; I120-P140 HydrophobicContact CG1-CG 4.14Å; I120-P140 HydrophobicContact CG2-CB 4.26Å; V121-P140 PolarHBondContact N-O 3.11Å; P140-F151 HydrophobicContact CB-CD1 4.44Å; P140-F151 HydrophobicContact CB-CE1 4.11Å; P140-L154 HydrophobicContact CB-CD2 4.01Å
141F97.8Very high95Very high3 Ų346 Ų461%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-112.2143.6178.1-68.5-80.3000113V121 T123 R129 V132 K133 C139 F151 D152V121-F141 HydrophobicContact CB-CD1 3.62Å; V121-F141 HydrophobicContact CB-CE1 3.56Å; V121-F141 HydrophobicContact CG1-CD1 3.86Å; V121-F141 HydrophobicContact CG1-CE1 3.65Å; V121-F141 HydrophobicContact CG2-CE1 4.22Å; V121-F141 CarbonylContact O-C 3.44Å; V121-F141 WeakPolarHBondContact O-CA 3.29Å; T123-F141 HydrophobicContact CG2-CD1 3.71Å; T123-F141 HydrophobicContact CG2-CE1 4Å; R129-F141 HydrophobicContact CB-CE1 4.46Å; R129-F141 HydrophobicContact CB-CE2 4.48Å; R129-F141 HydrophobicContact CB-CZ 4.43Å; R129-F141 HydrophobicContact CG-CB 4.48Å; R129-F141 HydrophobicContact CG-CD1 3.6Å; R129-F141 HydrophobicContact CG-CD2 4.29Å; R129-F141 HydrophobicContact CG-CE1 3.77Å; R129-F141 HydrophobicContact CG-CE2 4.46Å; R129-F141 HydrophobicContact CG-CG 3.86Å; R129-F141 HydrophobicContact CG-CZ 4.21Å; V132-F141 HydrophobicContact CB-CE2 4.36Å; V132-F141 HydrophobicContact CB-CZ 3.71Å; V132-F141 HydrophobicContact CG1-CE2 4.13Å; V132-F141 HydrophobicContact CG1-CZ 3.59Å; V132-F141 HydrophobicContact CG2-CZ 4.45Å; K133-F141 HydrophobicContact CG-CD2 4.36Å; K133-F141 HydrophobicContact CG-CE2 3.96Å; C139-F141 HydrophobicContact CB-CE2 4.24Å; C139-F141 HydrophobicContact CB-CZ 4.4Å; C139-F141 WeakPolarHBondContact O-CD2 3.32Å; C139-F141 WeakPolarHBondContact O-CE2 3.33Å; F141-F151 WeakPolarHBondContact O-CA 3.44Å; F141-F151 WeakPolarHBondContact O-CD1 3.41Å; F141-D152 HydrophobicContact CB-CB 3.76Å; F141-D152 PolarHBondContact O-N 3.01Å
142L98Very high95Very high0 Ų043.9 Ų43.90%022%0.218CC..EExtended strand (participates in β ladder)trans-116130.1172.5-69.3168.9000109.4V28 L49 Y52 I120 V121 A122 T123 I149 I150 F151V28-L142 HydrophobicContact CG1-CD1 4.16Å; V28-L142 HydrophobicContact CG2-CD1 4.25Å; L49-L142 HydrophobicContact CD2-CD1 3.64Å; Y52-L142 HydrophobicContact CD1-CD2 4.35Å; Y52-L142 HydrophobicContact CE1-CD2 3.95Å; I120-L142 HydrophobicContact CG2-CD1 3.61Å; I120-L142 HydrophobicContact CG2-CG 3.77Å; V121-L142 PolarHBondContact O-N 2.91Å; A122-L142 WeakPolarHBondContact CA-O 3.22Å; A122-L142 HydrophobicContact CB-CB 4.07Å; T123-L142 PolarHBondContact N-O 3.06Å; L142-I149 HydrophobicContact CB-CG2 4.17Å; L142-I149 HydrophobicContact CD2-CG2 4.06Å; L142-I150 WeakPolarHBondContact CA-O 3.39Å; L142-F151 HydrophobicContact CD2-CD1 3.59Å; L142-F151 HydrophobicContact CD2-CD2 4.11Å; L142-F151 HydrophobicContact CD2-CE1 3.65Å; L142-F151 HydrophobicContact CD2-CE2 4.2Å; L142-F151 HydrophobicContact CD2-CG 3.83Å; L142-F151 HydrophobicContact CD2-CZ 3.97Å; L142-F151 HydrophobicContact CG-CD1 4.23Å; L142-F151 HydrophobicContact CG-CE1 4.1Å
143L97.3Very high94.8Very high20 Ų2049.6 Ų49.611%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-120.8156.4-179.7-48.2175.6000109.4T123 R129 I149 I150 D152T123-L143 WeakPolarHBondContact O-CD2 3.16Å; R129-L143 VanDerWaalsContact NH1-CD1 3.27Å; L143-I149 CarbonylContact O-C 3.45Å; L143-I149 VanDerWaalsContact O-CA 3.27Å; L143-I149 WeakPolarHBondContact O-CA 3.39Å; L143-I150 HydrophobicContact CB-CG1 4.22Å; L143-I150 PolarHBondContact N-O 3.22Å; L143-I150 PolarHBondContact O-N 3.36Å; L143-D152 HydrophobicContact CD1-CB 4Å; L143-D152 HydrophobicContact CG-CB 4.16Å
144I96.9Very high94.8Very high11 Ų1148.9 Ų48.96%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-99118.9163.1-67.1157.2000107.7F34 H37 A38 I43 Q124 F146 S148 I149F34-I144 HydrophobicContact CD1-CD1 4.18Å; F34-I144 HydrophobicContact CD2-CD1 4.08Å; F34-I144 HydrophobicContact CD2-CG1 4.24Å; F34-I144 HydrophobicContact CE1-CD1 3.9Å; F34-I144 HydrophobicContact CE1-CG1 4.41Å; F34-I144 HydrophobicContact CE2-CD1 3.81Å; F34-I144 HydrophobicContact CE2-CG1 3.62Å; F34-I144 HydrophobicContact CG-CD1 4.26Å; F34-I144 HydrophobicContact CZ-CD1 3.71Å; F34-I144 HydrophobicContact CZ-CG1 3.72Å; H37-I144 HydrophobicContact CB-CD1 4.27Å; A38-I144 HydrophobicContact CB-CD1 3.68Å; I43-I144 HydrophobicContact CD1-CB 4.41Å; I43-I144 HydrophobicContact CD1-CD1 4.23Å; I43-I144 HydrophobicContact CD1-CG1 4.1Å; I43-I144 HydrophobicContact CD1-CG2 3.44Å; I43-I144 VanDerWaalsContact CD1-CG2 3.44Å; Q124-I144 VanDerWaalsContact NE2-CB 3.28Å; Q124-I144 PolarHBondContact NE2-O 3.04Å; I144-F146 VanDerWaalsContact CG2-O 3.31Å; I144-F146 WeakPolarHBondContact CG2-O 3.49Å; I144-S148 WeakPolarHBondContact CA-O 3.3Å; I144-I149 HydrophobicContact CG1-CG1 3.97Å
145H93.8Very high94.8Very high98 Ų9842.7 Ų42.745%0.45422%0.215SC..EExtended strand (participates in β ladder)trans-118.2123.9171.7-166-79.1000108.7K147 S148 I150H145-K147 PolarHBondContact O-N 3.29Å; H145-S148 PolarHBondContact N-O 3.3Å; H145-S148 PolarHBondContact O-N 2.85Å; H145-S148 VanDerWaalsContact O-N 3.13Å; H145-S148 PolarHBondContact O-OG 3.12Å; H145-S148 VanDerWaalsContact O-OG 3.11Å; H145-I150 HydrophobicContact CB-CD1 3.65Å; H145-I150 HydrophobicContact CB-CG1 4.16Å
146F88.6Confident94.7Very high164 Ų16444.9 Ų44.972%0.71922%0.217SC*.THydrogen-bonded Turntrans49.6-120.7-164-55.2-64.6000110.3N41 I144N41-F146 VanDerWaalsContact CG-O 3.26Å; N41-F146 PolarHBondContact OD1-O 3.44Å; I144-F146 VanDerWaalsContact CG2-O 3.31Å; I144-F146 WeakPolarHBondContact CG2-O 3.49Å
147K91.7Very high94.6Very high162 Ų16249 Ų4970%0.70424%0.238SC*.THydrogen-bonded Turntrans-102.930.2-179.2-60.5-177.4179.1179.30113.1N41 H145N41-K147 HydrophobicContact CB-CG 4.5Å; H145-K147 PolarHBondContact O-N 3.29Å
148S92.9Very high94.7Very high30 Ų3045 Ų4521%0.2122%0.218CC..EExtended strand (participates in β ladder)trans-146.1138.3-172.972.90000114.4I144 H145I144-S148 WeakPolarHBondContact CA-O 3.3Å; H145-S148 PolarHBondContact N-O 3.3Å; H145-S148 PolarHBondContact O-N 2.85Å; H145-S148 VanDerWaalsContact O-N 3.13Å; H145-S148 PolarHBondContact O-OG 3.12Å; H145-S148 VanDerWaalsContact O-OG 3.11Å
149I96.1Very high94.6Very high1 Ų147.2 Ų47.21%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-79127.7174.5-55.7173.4000109.8R5 F34 I43 Q48 L49 Y52 L142 L143 I144R5-I149 PolarHBondContact NE-O 2.96Å; R5-I149 PolarHBondContact NH2-O 3.49Å; F34-I149 HydrophobicContact CZ-CD1 4.07Å; F34-I149 HydrophobicContact CZ-CG1 4.07Å; F34-I149 HydrophobicContact CZ-CG2 4.18Å; I43-I149 HydrophobicContact CG2-CD1 4.27Å; I43-I149 HydrophobicContact CG2-CG1 4.34Å; Q48-I149 HydrophobicContact CB-CD1 3.8Å; L49-I149 HydrophobicContact CD2-CD1 3.84Å; L49-I149 HydrophobicContact CD2-CG2 3.97Å; L49-I149 HydrophobicContact CG-CD1 3.88Å; Y52-I149 HydrophobicContact CD1-CB 4.49Å; Y52-I149 HydrophobicContact CD1-CG2 4.21Å; Y52-I149 WeakPolarHBondContact CE1-O 3.23Å; L142-I149 HydrophobicContact CB-CG2 4.17Å; L142-I149 HydrophobicContact CD2-CG2 4.06Å; L143-I149 CarbonylContact O-C 3.45Å; L143-I149 VanDerWaalsContact O-CA 3.27Å; L143-I149 WeakPolarHBondContact O-CA 3.39Å; I144-I149 HydrophobicContact CG1-CG1 3.97Å
150I95.9Very high94.6Very high46 Ų4648.8 Ų48.824%0.23624%0.24CC..EExtended strand (participates in β ladder)trans-129.7148.9179.359.7169.2000110.9R5 L142 L143 H145R5-I150 HydrophobicContact CG-CG2 4.47Å; L142-I150 WeakPolarHBondContact CA-O 3.39Å; L143-I150 HydrophobicContact CB-CG1 4.22Å; L143-I150 PolarHBondContact N-O 3.22Å; L143-I150 PolarHBondContact O-N 3.36Å; H145-I150 HydrophobicContact CB-CD1 3.65Å; H145-I150 HydrophobicContact CB-CG1 4.16Å
151F96.4Very high94.5Very high1 Ų149.6 Ų49.60%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-69.8132.2163-84.2-70.8000110.5A9 V12 L13 Y52 L53 I120 P140 F141 L142A9-F151 HydrophobicContact CB-CD2 3.88Å; A9-F151 HydrophobicContact CB-CE2 4.03Å; V12-F151 HydrophobicContact CB-CD2 4.35Å; V12-F151 HydrophobicContact CB-CG 4.45Å; V12-F151 HydrophobicContact CG1-CD1 4.07Å; V12-F151 HydrophobicContact CG1-CD2 4.36Å; V12-F151 HydrophobicContact CG1-CE1 4.26Å; V12-F151 HydrophobicContact CG1-CG 4.12Å; V12-F151 HydrophobicContact CG1-CZ 4.47Å; V12-F151 HydrophobicContact CG2-CB 4.49Å; L13-F151 HydrophobicContact CD2-CE2 4.18Å; L13-F151 HydrophobicContact CD2-CZ 3.74Å; L13-F151 HydrophobicContact CG-CE2 4.07Å; L13-F151 HydrophobicContact CG-CZ 4.15Å; Y52-F151 AromaticContact CE1-CD2 3.79Å; Y52-F151 HydrophobicContact CE1-CD2 3.79Å; Y52-F151 HydrophobicContact CE1-CE2 4.2Å; Y52-F151 PolarHBondContact OH-N 3.25Å; L53-F151 HydrophobicContact CD2-CD2 4.37Å; L53-F151 HydrophobicContact CD2-CE2 3.28Å; L53-F151 HydrophobicContact CD2-CZ 3.43Å; L53-F151 VanDerWaalsContact CD2-CZ 3.43Å; I120-F151 HydrophobicContact CD1-CE1 4.46Å; I120-F151 HydrophobicContact CD1-CZ 4.39Å; I120-F151 HydrophobicContact CG2-CE1 4.08Å; P140-F151 HydrophobicContact CB-CD1 4.44Å; P140-F151 HydrophobicContact CB-CE1 4.11Å; F141-F151 WeakPolarHBondContact O-CA 3.44Å; F141-F151 WeakPolarHBondContact O-CD1 3.41Å; L142-F151 HydrophobicContact CD2-CD1 3.59Å; L142-F151 HydrophobicContact CD2-CD2 4.11Å; L142-F151 HydrophobicContact CD2-CE1 3.65Å; L142-F151 HydrophobicContact CD2-CE2 4.2Å; L142-F151 HydrophobicContact CD2-CG 3.83Å; L142-F151 HydrophobicContact CD2-CZ 3.97Å; L142-F151 HydrophobicContact CG-CD1 4.23Å; L142-F151 HydrophobicContact CG-CE1 4.1Å
152D95.2Very high94.4Very high18 Ų1849.5 Ų49.510%0.09625%0.247CC..PPolyproline II helixtrans-67.9170.2163.6-161.88.4000111R129 K133 F141 L143R129-D152 IonicContact CZ-OD2 3.78Å; R129-D152 VanDerWaalsContact NH1-CG 3.3Å; R129-D152 IonicContact NH1-OD1 2.7Å; R129-D152 IonicContact NH1-OD2 2.59Å; R129-D152 PolarHBondContact NH1-OD2 3.41Å; K133-D152 WeakPolarHBondContact CE-OD2 3.45Å; K133-D152 IonicContact NZ-OD1 3.86Å; K133-D152 IonicContact NZ-OD2 2.73Å; K133-D152 PolarHBondContact NZ-OD2 2.85Å; F141-D152 HydrophobicContact CB-CB 3.76Å; F141-D152 PolarHBondContact O-N 3.01Å; L143-D152 HydrophobicContact CD1-CB 4Å; L143-D152 HydrophobicContact CG-CB 4.16Å
153H92.4Very high94.2Very high121 Ų12157.2 Ų57.256%0.5628%0.276SS*.PPolyproline II helixtrans-69.1129.7171.2-62.5-93.2000110
154L94.3Very high94Very high20 Ų2062.7 Ų62.711%0.10530%0.301CS..PPolyproline II helixtrans-63.2144.9169.7-64.6177.8000109.6V12 F15 L16 P140 K159V12-L154 HydrophobicContact CG1-CD1 4.24Å; V12-L154 HydrophobicContact CG1-CD2 4.3Å; V12-L154 HydrophobicContact CG1-CG 4.34Å; F15-L154 HydrophobicContact CD1-CD1 3.47Å; F15-L154 VanDerWaalsContact CD1-CD1 3.47Å; F15-L154 HydrophobicContact CE1-CD1 3.65Å; F15-L154 HydrophobicContact CG-CD1 4.45Å; L16-L154 HydrophobicContact CD2-CD1 4.37Å; L16-L154 HydrophobicContact CD2-CD2 4.23Å; P140-L154 HydrophobicContact CB-CD2 4.01Å; L154-K159 WeakPolarHBondContact O-CE 3.33Å; L154-K159 PolarHBondContact O-NZ 3.3Å
155S92.9Very high93.7Very high20 Ų2065.9 Ų65.914%0.1432%0.318CS..PPolyproline II helixtrans-53.8144.5176.1-178.80000111.1K133 L157 C158 K159K133-S155 PolarHBondContact O-OG 2.96Å; S155-L157 PolarHBondContact O-N 2.88Å; S155-L157 PolarHBondContact OG-N 2.86Å; S155-C158 VanDerWaalsContact O-CB 3.23Å; S155-C158 WeakPolarHBondContact O-CB 3.27Å; S155-C158 PolarHBondContact O-N 3.47Å; S155-K159 PolarHBondContact O-N 3.4Å
156E92.6Very high93.6Very high120 Ų12064.5 Ų64.556%0.56131%0.313SS*.Hα-helixtrans-65.9-31.8176.1-64.6-52133.300111.4C158 K159 A160E156-C158 VanDerWaalsContact C-N 3.29Å; E156-C158 PolarHBondContact O-N 2.91Å; E156-K159 PolarHBondContact O-N 3.17Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 IonicContact OE1-NZ 3.59Å; E156-K159 PolarHBondContact OE1-NZ 3.46Å; E156-K159 IonicContact OE2-NZ 2.7Å; E156-A160 WeakPolarHBondContact O-CB 3.21Å; E156-A160 PolarHBondContact O-N 3.01Å
157L92.3Very high93.7Very high93 Ų9361.1 Ų61.149%0.48730%0.303SS..Hα-helixtrans-57.1-44.2173-60.7178.3000111.5S155 K159 A160 A161S155-L157 PolarHBondContact O-N 2.88Å; S155-L157 PolarHBondContact OG-N 2.86Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.39Å; L157-A160 PolarHBondContact O-N 3.31Å; L157-A161 WeakPolarHBondContact O-CB 3.16Å; L157-A161 PolarHBondContact O-N 3.38Å
158C94.1Very high93.5Very high1 Ų156.4 Ų56.41%0.00729%0.294CS..Hα-helixtrans-59.8-40.7176.8-1750000112.3Y20 L137 S155 E156 A162Y20-C158 WeakPolarHBondContact CE2-SG 3.35Å; Y20-C158 PolarHBondContact OH-O 3.21Å; L137-C158 WeakPolarHBondContact O-CA 3.48Å; L137-C158 WeakPolarHBondContact O-CB 3.37Å; S155-C158 VanDerWaalsContact O-CB 3.23Å; S155-C158 WeakPolarHBondContact O-CB 3.27Å; S155-C158 PolarHBondContact O-N 3.47Å; E156-C158 VanDerWaalsContact C-N 3.29Å; E156-C158 PolarHBondContact O-N 2.91Å; C158-A162 WeakPolarHBondContact O-CB 3.47Å; C158-A162 PolarHBondContact O-N 2.86Å
159K95Very high93.1Very high52 Ų5262.9 Ų62.923%0.22632%0.318CS..Hα-helixtrans-76.7-39.2-179.5-63.5177.3-160.5154.60111.5L154 S155 E156 L157 R163L154-K159 WeakPolarHBondContact O-CE 3.33Å; L154-K159 PolarHBondContact O-NZ 3.3Å; S155-K159 PolarHBondContact O-N 3.4Å; E156-K159 PolarHBondContact O-N 3.17Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 IonicContact OE1-NZ 3.59Å; E156-K159 PolarHBondContact OE1-NZ 3.46Å; E156-K159 IonicContact OE2-NZ 2.7Å; L157-K159 VanDerWaalsContact C-N 3.31Å; L157-K159 PolarHBondContact O-N 3.39Å; K159-R163 VanDerWaalsContact O-CG 3.3Å; K159-R163 WeakPolarHBondContact O-CG 3.47Å; K159-R163 PolarHBondContact O-N 3.46Å
160A95.4Very high92.5Very high43 Ų4368.6 Ų68.636%0.35535%0.349SS..Hα-helixtrans-63.4-4817800000111.1E156 L157 A162 R163 Q164E156-A160 WeakPolarHBondContact O-CB 3.21Å; E156-A160 PolarHBondContact O-N 3.01Å; L157-A160 PolarHBondContact O-N 3.31Å; A160-A162 PolarHBondContact O-N 3.16Å; A160-R163 WeakPolarHBondContact O-CB 3.28Å; A160-R163 PolarHBondContact O-N 2.97Å; A160-Q164 WeakPolarHBondContact O-CG 3.43Å; A160-Q164 PolarHBondContact O-N 2.99Å
161A95Very high91.6Very high18 Ų1870.2 Ų70.215%0.14936%0.358CS..Hα-helixtrans-60.9-44.6176.800000112.2L137 L157 R163 Q164 D165L137-A161 HydrophobicContact CD1-CB 3.79Å; L157-A161 WeakPolarHBondContact O-CB 3.16Å; L157-A161 PolarHBondContact O-N 3.38Å; A161-R163 VanDerWaalsContact C-N 3.3Å; A161-R163 PolarHBondContact O-N 3.25Å; A161-Q164 PolarHBondContact O-N 3.22Å; A161-D165 PolarHBondContact O-N 2.94Å
162A94.7Very high90.2Very high1 Ų176.5 Ų76.51%0.00838%0.382CS..Hα-helixtrans-63.3-35.5176.200000112.8F15 N19 Y20 C158 A160 I166F15-A162 HydrophobicContact CE2-CB 3.81Å; F15-A162 HydrophobicContact CZ-CB 3.57Å; N19-A162 HydrophobicContact CB-CB 4.2Å; Y20-A162 HydrophobicContact CE2-CB 4.36Å; C158-A162 WeakPolarHBondContact O-CB 3.47Å; C158-A162 PolarHBondContact O-N 2.86Å; A160-A162 PolarHBondContact O-N 3.16Å; A162-I166 WeakPolarHBondContact O-CB 3.46Å; A162-I166 WeakPolarHBondContact O-CD1 3.35Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 3.32Å
163R93.9Very high89.1Confident162 Ų16283.5 Ų83.561%0.61141%0.414SS*.Hα-helixtrans-66.4-46.6174-75.6173.1-177.3175.81111.2K159 A160 A161 D165 I166 D167K159-R163 VanDerWaalsContact O-CG 3.3Å; K159-R163 WeakPolarHBondContact O-CG 3.47Å; K159-R163 PolarHBondContact O-N 3.46Å; A160-R163 WeakPolarHBondContact O-CB 3.28Å; A160-R163 PolarHBondContact O-N 2.97Å; A161-R163 VanDerWaalsContact C-N 3.3Å; A161-R163 PolarHBondContact O-N 3.25Å; R163-D165 VanDerWaalsContact C-N 3.3Å; R163-D165 PolarHBondContact O-N 2.91Å; R163-I166 PolarHBondContact O-N 3.49Å; R163-I166 VanDerWaalsContact O-N 3.1Å; R163-D167 WeakPolarHBondContact O-CB 3.36Å; R163-D167 PolarHBondContact O-N 3.49Å
164Q93.3Very high87.9Confident134 Ų13483.5 Ų83.563%0.62642%0.419SS*.Hα-helixtrans-58.1-42.9175.9-71.6172.8-1000111.8A160 A161 I166 D167 A168A160-Q164 WeakPolarHBondContact O-CG 3.43Å; A160-Q164 PolarHBondContact O-N 2.99Å; A161-Q164 PolarHBondContact O-N 3.22Å; Q164-I166 VanDerWaalsContact C-N 3.32Å; Q164-I166 PolarHBondContact O-N 2.89Å; Q164-D167 PolarHBondContact O-N 3.12Å; Q164-A168 VanDerWaalsContact O-CB 3.23Å; Q164-A168 WeakPolarHBondContact O-CB 3.31Å; Q164-A168 PolarHBondContact O-N 3.38Å
165D92Very high86.9Confident79 Ų7984.9 Ų84.942%0.42243%0.43SS..Hα-helixtrans-64.9-35.6176.2-75-14000112.7A161 R163 K169A161-D165 PolarHBondContact O-N 2.94Å; R163-D165 VanDerWaalsContact C-N 3.3Å; R163-D165 PolarHBondContact O-N 2.91Å; D165-K169 WeakPolarHBondContact O-CD 3.41Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 3.4Å
166I91Very high86.3Confident68 Ų6889 Ų8935%0.34945%0.445SS..Hα-helixtrans-70.7-47.4175.8-71.2163.8000110A162 R163 Q164 A168 K169 L170A162-I166 WeakPolarHBondContact O-CB 3.46Å; A162-I166 WeakPolarHBondContact O-CD1 3.35Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 3.32Å; R163-I166 PolarHBondContact O-N 3.49Å; R163-I166 VanDerWaalsContact O-N 3.1Å; Q164-I166 VanDerWaalsContact C-N 3.32Å; Q164-I166 PolarHBondContact O-N 2.89Å; I166-A168 PolarHBondContact O-N 3.17Å; I166-K169 PolarHBondContact O-N 3.48Å; I166-K169 VanDerWaalsContact O-N 3.12Å; I166-L170 HydrophobicContact CG2-CD1 3.58Å; I166-L170 HydrophobicContact CG2-CG 4.16Å; I166-L170 WeakPolarHBondContact O-CB 3.47Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.4Å; I166-L170 PolarHBondContact O-N 3.39Å
167D90.1Very high85.8Confident93 Ų9389.7 Ų89.750%0.49745%0.448SS..Hα-helixtrans-62.3-45.1-179.3-64.9-21.6000110.1R163 Q164 K169 L170 N171R163-D167 WeakPolarHBondContact O-CB 3.36Å; R163-D167 PolarHBondContact O-N 3.49Å; Q164-D167 PolarHBondContact O-N 3.12Å; D167-K169 PolarHBondContact O-N 3.37Å; D167-L170 CarbonylContact O-C 3.47Å; D167-L170 PolarHBondContact O-N 3.49Å; D167-N171 VanDerWaalsContact O-CG 3.26Å; D167-N171 PolarHBondContact O-N 3.21Å; D167-N171 PolarHBondContact O-OD1 2.92Å
168A88.2Confident85.3Confident63 Ų6389 Ų8952%0.52145%0.448SS..Hα-helixtrans-57.7-34.7174.300000113.2Q164 I166Q164-A168 VanDerWaalsContact O-CB 3.23Å; Q164-A168 WeakPolarHBondContact O-CB 3.31Å; Q164-A168 PolarHBondContact O-N 3.38Å; I166-A168 PolarHBondContact O-N 3.17Å
169K84.9Confident84.8Confident166 Ų16691.4 Ų91.472%0.72246%0.46SS*.Hα-helixtrans-78.5-28.2175.1-71.7169-172.4170.90113.2D165 I166 D167D165-K169 WeakPolarHBondContact O-CD 3.41Å; D165-K169 WeakPolarHBondContact O-CG 3.44Å; D165-K169 PolarHBondContact O-N 3.4Å; I166-K169 PolarHBondContact O-N 3.48Å; I166-K169 VanDerWaalsContact O-N 3.12Å; D167-K169 PolarHBondContact O-N 3.37Å
170L83Confident84.3Confident122 Ų12290.7 Ų90.764%0.63946%0.459SS*.Hα-helixtrans-93.6-3.1-178.1-69.1-179.2000113.2I166 D167 Y172I166-L170 HydrophobicContact CG2-CD1 3.58Å; I166-L170 HydrophobicContact CG2-CG 4.16Å; I166-L170 WeakPolarHBondContact O-CB 3.47Å; I166-L170 VanDerWaalsContact O-CG 3.31Å; I166-L170 WeakPolarHBondContact O-CG 3.4Å; I166-L170 PolarHBondContact O-N 3.39Å; D167-L170 CarbonylContact O-C 3.47Å; D167-L170 PolarHBondContact O-N 3.49Å; L170-Y172 VanDerWaalsContact C-N 3.34Å; L170-Y172 PolarHBondContact O-N 3.13Å
171N76.2Confident83.8Confident80 Ų8094.8 Ų94.843%0.42847%0.469SS..  trans-5199178.4-81.9-9.9000110.3D167 E173 S175D167-N171 VanDerWaalsContact O-CG 3.26Å; D167-N171 PolarHBondContact O-N 3.21Å; D167-N171 PolarHBondContact O-OD1 2.92Å; N171-E173 PolarHBondContact O-N 2.74Å; N171-S175 PolarHBondContact O-N 3.49Å; N171-S175 PolarHBondContact O-OG 3.47Å
172Y67.3Low83.4Confident133 Ų13399.3 Ų99.352%0.52249%0.49SS..Hα-helixtrans-68.6-27.1-176.4175.4-99000110.7L170 S175 K176 I179L170-Y172 VanDerWaalsContact C-N 3.34Å; L170-Y172 PolarHBondContact O-N 3.13Å; Y172-S175 CarbonylContact O-C 3.36Å; Y172-S175 PolarHBondContact O-N 3.35Å; Y172-K176 HydrophobicContact CE1-CB 4.33Å; Y172-K176 HydrophobicContact CE1-CD 4.27Å; Y172-K176 HydrophobicContact CE1-CG 4.15Å; Y172-K176 WeakPolarHBondContact O-CA 3.29Å; Y172-K176 WeakPolarHBondContact O-CB 3.37Å; Y172-K176 PolarHBondContact O-N 3.4Å; Y172-I179 HydrophobicContact CD2-CD1 3.97Å; Y172-I179 HydrophobicContact CE2-CD1 3.6Å
173E71.9Confident83Confident164 Ų164102.1 Ų102.177%0.76650%0.502SS*.Hα-helixtrans-61.4-51.4-178.6-62.8-171.2160.400111.5N171 S175 K176N171-E173 PolarHBondContact O-N 2.74Å; E173-S175 VanDerWaalsContact C-N 3.25Å; E173-S175 PolarHBondContact O-N 3.21Å; E173-K176 VanDerWaalsContact O-CB 3.29Å; E173-K176 WeakPolarHBondContact O-CB 3.46Å; E173-K176 PolarHBondContact O-N 2.74Å; E173-K176 VanDerWaalsContact O-N 3.13Å
174D67.8Low82.5Confident122 Ų122103.1 Ų103.165%0.65251%0.506SS*.Hα-helixtrans-63.7-35174.9-62.8-17.7000111.6K176D174-K176 VanDerWaalsContact C-N 3.31Å; D174-K176 PolarHBondContact O-N 3.28Å
175S74.3Confident82.3Confident48 Ų48101 Ų10134%0.33651%0.511SS..Hα-helixtrans-76.1-18.3178.6-61.40000112.9N171 Y172 E173 E177 T178 I179N171-S175 PolarHBondContact O-N 3.49Å; N171-S175 PolarHBondContact O-OG 3.47Å; Y172-S175 CarbonylContact O-C 3.36Å; Y172-S175 PolarHBondContact O-N 3.35Å; E173-S175 VanDerWaalsContact C-N 3.25Å; E173-S175 PolarHBondContact O-N 3.21Å; S175-E177 PolarHBondContact O-N 3.44Å; S175-T178 WeakPolarHBondContact O-CB 3.39Å; S175-T178 PolarHBondContact O-N 2.78Å; S175-T178 VanDerWaalsContact O-N 3.16Å; S175-I179 WeakPolarHBondContact O-CB 3.5Å; S175-I179 WeakPolarHBondContact O-CD1 3.17Å; S175-I179 WeakPolarHBondContact O-CG1 3.47Å; S175-I179 PolarHBondContact O-N 3.16Å
176K80.4Confident82Confident107 Ų107100.8 Ų100.847%0.46552%0.52SS..Hα-helixtrans-63.4-45-172.3-170.7-178.9177.4-174.60111.1Y172 E173 D174 T178 I179 D180Y172-K176 HydrophobicContact CE1-CB 4.33Å; Y172-K176 HydrophobicContact CE1-CD 4.27Å; Y172-K176 HydrophobicContact CE1-CG 4.15Å; Y172-K176 WeakPolarHBondContact O-CA 3.29Å; Y172-K176 WeakPolarHBondContact O-CB 3.37Å; Y172-K176 PolarHBondContact O-N 3.4Å; E173-K176 VanDerWaalsContact O-CB 3.29Å; E173-K176 WeakPolarHBondContact O-CB 3.46Å; E173-K176 PolarHBondContact O-N 2.74Å; E173-K176 VanDerWaalsContact O-N 3.13Å; D174-K176 VanDerWaalsContact C-N 3.31Å; D174-K176 PolarHBondContact O-N 3.28Å; K176-T178 VanDerWaalsContact C-N 3.31Å; K176-T178 PolarHBondContact O-N 2.82Å; K176-I179 PolarHBondContact O-N 3.3Å; K176-D180 WeakPolarHBondContact O-CB 3.44Å; K176-D180 VanDerWaalsContact O-CG 3.23Å; K176-D180 PolarHBondContact O-N 3.42Å
177E80.2Confident81.4Confident134 Ų134100.2 Ų100.263%0.62653%0.531SS*.Hα-helixtrans-62.7-40176.4-62.7-168.9173.200112.2S175 D180 K181S175-E177 PolarHBondContact O-N 3.44Å; E177-D180 PolarHBondContact O-N 2.95Å; E177-K181 WeakPolarHBondContact O-CB 3.27Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.47Å; E177-K181 PolarHBondContact O-N 2.94Å
178T82.9Confident80.6Confident78 Ų78100.1 Ų100.148%0.47953%0.534SS..Hα-helixtrans-67-44177.7-56.40000110.6S175 K176 D180 K181 L182S175-T178 WeakPolarHBondContact O-CB 3.39Å; S175-T178 PolarHBondContact O-N 2.78Å; S175-T178 VanDerWaalsContact O-N 3.16Å; K176-T178 VanDerWaalsContact C-N 3.31Å; K176-T178 PolarHBondContact O-N 2.82Å; T178-D180 VanDerWaalsContact C-N 3.34Å; T178-D180 PolarHBondContact O-N 3.42Å; T178-K181 PolarHBondContact O-N 3.48Å; T178-L182 HydrophobicContact CG2-CD1 4.25Å; T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 VanDerWaalsContact O-CG 3.27Å; T178-L182 WeakPolarHBondContact O-CG 3.29Å; T178-L182 PolarHBondContact O-N 2.97Å
179I83.4Confident79.6Confident52 Ų52102.8 Ų102.827%0.26754%0.543SS..Hα-helixtrans-61.6-42.7175.4-69.3163.9000110.3Y172 S175 K176 L182 K183Y172-I179 HydrophobicContact CD2-CD1 3.97Å; Y172-I179 HydrophobicContact CE2-CD1 3.6Å; S175-I179 WeakPolarHBondContact O-CB 3.5Å; S175-I179 WeakPolarHBondContact O-CD1 3.17Å; S175-I179 WeakPolarHBondContact O-CG1 3.47Å; S175-I179 PolarHBondContact O-N 3.16Å; K176-I179 PolarHBondContact O-N 3.3Å; I179-L182 PolarHBondContact O-N 2.7Å; I179-K183 HydrophobicContact CG2-CD 4.13Å; I179-K183 HydrophobicContact CG2-CG 4.31Å; I179-K183 WeakPolarHBondContact O-CB 3.5Å; I179-K183 VanDerWaalsContact O-CG 3.32Å; I179-K183 WeakPolarHBondContact O-CG 3.32Å; I179-K183 PolarHBondContact O-N 3.36Å
180D84.4Confident78.6Confident38 Ų38101.1 Ų101.120%0.20354%0.538CS..Hα-helixtrans-67.4-39.8179.1-72.1-12.8000111.8K176 E177 T178 K183 R184K176-D180 WeakPolarHBondContact O-CB 3.44Å; K176-D180 VanDerWaalsContact O-CG 3.23Å; K176-D180 PolarHBondContact O-N 3.42Å; E177-D180 PolarHBondContact O-N 2.95Å; T178-D180 VanDerWaalsContact C-N 3.34Å; T178-D180 PolarHBondContact O-N 3.42Å; D180-K183 PolarHBondContact O-N 3.28Å; D180-K183 IonicContact OD1-NZ 2.65Å; D180-R184 WeakPolarHBondContact O-CB 3.28Å; D180-R184 VanDerWaalsContact O-CG 3.28Å; D180-R184 WeakPolarHBondContact O-CG 3.5Å; D180-R184 PolarHBondContact O-N 3.49Å
181K85.6Confident77.7Confident129 Ų129106 Ų10656%0.56155%0.548SS*.Hα-helixtrans-60.3-44.6171.1-73.5170.1-174.1169.40111.4E177 T178 R184 A185E177-K181 WeakPolarHBondContact O-CB 3.27Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.47Å; E177-K181 PolarHBondContact O-N 2.94Å; T178-K181 PolarHBondContact O-N 3.48Å; K181-R184 PolarHBondContact O-N 3.44Å; K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 2.79Å
182L85.7Confident77Confident113 Ų113107.4 Ų107.459%0.59256%0.561SS**Hα-helixtrans-66.7-40.9177.8-70.4171.9000112.5T178 I179 R184 A185 A186T178-L182 HydrophobicContact CG2-CD1 4.25Å; T178-L182 WeakPolarHBondContact O-CB 3.4Å; T178-L182 VanDerWaalsContact O-CG 3.27Å; T178-L182 WeakPolarHBondContact O-CG 3.29Å; T178-L182 PolarHBondContact O-N 2.97Å; I179-L182 PolarHBondContact O-N 2.7Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 3.34Å; L182-A185 PolarHBondContact O-N 3.45Å; L182-A186 WeakPolarHBondContact O-CB 3.32Å; L182-A186 PolarHBondContact O-N 2.91Å
183K86.2Confident76.7Confident59 Ų59106.9 Ų106.926%0.25757%0.574SS.*Hα-helixtrans-60.2-43.9174.3-77.7174.2178.3172.70111.5I179 D180 A186 G187 V188 E190I179-K183 HydrophobicContact CG2-CD 4.13Å; I179-K183 HydrophobicContact CG2-CG 4.31Å; I179-K183 WeakPolarHBondContact O-CB 3.5Å; I179-K183 VanDerWaalsContact O-CG 3.32Å; I179-K183 WeakPolarHBondContact O-CG 3.32Å; I179-K183 PolarHBondContact O-N 3.36Å; D180-K183 PolarHBondContact O-N 3.28Å; D180-K183 IonicContact OD1-NZ 2.65Å; K183-A186 PolarHBondContact O-N 3.02Å; K183-G187 PolarHBondContact O-N 3Å; K183-V188 PolarHBondContact O-N 3.41Å; K183-E190 IonicContact NZ-OE1 3.78Å; K183-E190 PolarHBondContact NZ-OE1 3.22Å
184R84.1Confident76.5Confident184 Ų184108 Ų10869%0.69458%0.577SS**Hα-helixtrans-63.4-45.4176-71.4177.7-161.6130.85.1111.6D180 K181 L182 A186 G187D180-R184 WeakPolarHBondContact O-CB 3.28Å; D180-R184 VanDerWaalsContact O-CG 3.28Å; D180-R184 WeakPolarHBondContact O-CG 3.5Å; D180-R184 PolarHBondContact O-N 3.49Å; K181-R184 PolarHBondContact O-N 3.44Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 3.34Å; R184-A186 VanDerWaalsContact C-N 3.34Å; R184-A186 PolarHBondContact O-N 3.21Å; R184-G187 PolarHBondContact O-N 3.47Å
185A87.8Confident76.1Confident90 Ų90107.7 Ų107.774%0.74458%0.581SS**Hα-helixtrans-65.1-35.4178.100000113.1K181 L182 G187K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 2.79Å; L182-A185 PolarHBondContact O-N 3.45Å; A185-G187 PolarHBondContact O-N 3.3Å
186A86.4Confident75.6Confident74 Ų74114.4 Ų114.461%0.61261%0.607SS**THydrogen-bonded Turntrans-80.21.3177.300000113.9L182 K183 R184 V188L182-A186 WeakPolarHBondContact O-CB 3.32Å; L182-A186 PolarHBondContact O-N 2.91Å; K183-A186 PolarHBondContact O-N 3.02Å; R184-A186 VanDerWaalsContact C-N 3.34Å; R184-A186 PolarHBondContact O-N 3.21Å; A186-V188 HydrophobicContact CB-CG2 4.04Å; A186-V188 PolarHBondContact O-N 3.35Å
187G78Confident74.9Confident56 Ų56116.8 Ų116.858%0.57762%0.624SS**THydrogen-bonded Turntrans65.918.5-178.800000113.9K183 R184 A185 V189K183-G187 PolarHBondContact O-N 3Å; R184-G187 PolarHBondContact O-N 3.47Å; A185-G187 PolarHBondContact O-N 3.3Å; G187-V189 VanDerWaalsContact C-N 3.35Å; G187-V189 PolarHBondContact O-N 3.25Å
188V74.9Confident73.9Confident90 Ų90115.9 Ų115.955%0.54563%0.63SS.*  trans-80.887.7177.5-176.20000107.9K183 A186 E190K183-V188 PolarHBondContact O-N 3.41Å; A186-V188 HydrophobicContact CB-CG2 4.04Å; A186-V188 PolarHBondContact O-N 3.35Å; V188-E190 PolarHBondContact O-N 3.02Å
189V66.6Low72.9Confident120 Ų120123.7 Ų123.773%0.72765%0.651SS**  trans-63.6119.4170.2-175.70000107.8G187 R191G187-V189 VanDerWaalsContact C-N 3.35Å; G187-V189 PolarHBondContact O-N 3.25Å; V189-R191 PolarHBondContact O-N 3.38Å
190E62.8Low71.8Confident131 Ų131131.8 Ų131.861%0.61268%0.678SS**  trans-59.2104.7169.3-68.1-165.3153.800107.8K183 V188K183-E190 IonicContact NZ-OE1 3.78Å; K183-E190 PolarHBondContact NZ-OE1 3.22Å; V188-E190 PolarHBondContact O-N 3.02Å
191R64.1Low70.7Confident225 Ų225140.8 Ų140.885%0.84971%0.709SS**PPolyproline II helixtrans-64.4132.1170.9-68.6178.9-175-177.90.2106.4V189V189-R191 PolarHBondContact O-N 3.38Å
192P61.9Low69.7Low108 Ų108140.8 Ų140.870%0.70172%0.722SS**PPolyproline II helixtrans-53143174.422.4-32.3000108.8K194P192-K194 PolarHBondContact O-N 3.05Å
193P61.1Low68.6Low122 Ų122144 Ų14479%0.79273%0.731SS**PPolyproline II helixtrans-52.9123.517922.1-31.6000107.7
194K67.3Low67.9Low189 Ų189143.9 Ų143.982%0.82275%0.747SS**PPolyproline II helixtrans-54.4128.9173.3-77.1-177.4178.7178.10106.3P192 E196P192-K194 PolarHBondContact O-N 3.05Å; K194-E196 PolarHBondContact O-N 3.1Å; K194-E196 VanDerWaalsContact O-N 3.1Å
195P60.2Low67.3Low115 Ų115140.1 Ų140.175%0.74775%0.746SS**PPolyproline II helixtrans-52.1125.9176.318.4-29.2000107.8L197P195-L197 PolarHBondContact O-N 2.89Å
196E62.8Low66.5Low189 Ų189140.2 Ų140.288%0.88373%0.734SS**  trans-56.5105.1175.6-71.5-169.1165.300107.2K194 P198K194-E196 PolarHBondContact O-N 3.1Å; K194-E196 VanDerWaalsContact O-N 3.1Å; E196-P198 WeakPolarHBondContact O-CD 3.46Å; E196-P198 VanDerWaalsContact O-N 3.11Å
197L66.2Low65.5Low157 Ų157142.1 Ų142.182%0.82274%0.74SS**PPolyproline II helixtrans-56123.4175.3-78.2164.1000106.4P195 R199P195-L197 PolarHBondContact O-N 2.89Å; L197-R199 PolarHBondContact O-N 2.84Å
198P59.4Low64.9Low115 Ų115147.2 Ų147.275%0.74775%0.753SS**PPolyproline II helixtrans-52.4124.3179.917.5-29.1000107.9E196 R200E196-P198 WeakPolarHBondContact O-CD 3.46Å; E196-P198 VanDerWaalsContact O-N 3.11Å; P198-R200 PolarHBondContact O-N 2.83Å
199R62.4Low64.5Low241 Ų241146.5 Ų146.591%0.90975%0.752SS**PPolyproline II helixtrans-47.7121179.9-71.2-178-178.6175.71.5107.6L197 R201L197-R199 PolarHBondContact O-N 2.84Å; R199-R201 PolarHBondContact O-N 3.05Å
200R60Low64.4Low223 Ų223144.3 Ų144.384%0.84274%0.742SS**  trans-55.3105.7179.4-71.3-174.2174.1-161.4-1.8107.9P198P198-R200 PolarHBondContact O-N 2.83Å
201R61.3Low64.7Low227 Ų227147.7 Ų147.786%0.85776%0.755SS**PPolyproline II helixtrans-56.6141.6167.9-64.4-176-178.7-160.80.6107.2R199 K203R199-R201 PolarHBondContact O-N 3.05Å; R201-K203 PolarHBondContact O-N 3.02Å
202P64.9Low65Low128 Ų128146.5 Ų146.583%0.83176%0.756SS**PPolyproline II helixtrans-52.3121177.318.7-29000108.8G204P202-G204 PolarHBondContact O-N 3.37Å
203K62.6Low65.4Low181 Ų181151.1 Ų151.179%0.78776%0.764SS**PPolyproline II helixtrans-59.8131.5177.1-66.9-179.5176.5-174.90107.4R201R201-K203 PolarHBondContact O-N 3.02Å
204G71.1Confident65.6Low57 Ų57154.5 Ų154.559%0.58877%0.767SS**PPolyproline II helixtrans-52.7157.5172.700000111.2P202 N206P202-G204 PolarHBondContact O-N 3.37Å; G204-N206 PolarHBondContact O-N 3.04Å
205P70.8Confident65.2Low105 Ų105155.1 Ų155.168%0.68277%0.769SS**PPolyproline II helixtrans-52.9136-177.721.5-31.3000110.2
206N71.4Confident64.9Low91 Ų91159.2 Ų159.249%0.48778%0.775SS.*PPolyproline II helixtrans-52.4123.3-178.7177.7-3000109.3G204 L208 S209G204-N206 PolarHBondContact O-N 3.04Å; N206-L208 PolarHBondContact O-N 2.71Å; N206-L208 PolarHBondContact OD1-N 3.06Å; N206-S209 WeakPolarHBondContact O-CA 3.41Å; N206-S209 WeakPolarHBondContact O-CB 3.46Å; N206-S209 PolarHBondContact O-N 3.33Å; N206-S209 PolarHBondContact O-OG 2.8Å
207P66.3Low64.6Low114 Ų114158.4 Ų158.474%0.7477%0.772SS**THydrogen-bonded Turntrans-60.1-20.4-177.823-33.6000113.3
208L65.4Low63.5Low163 Ų163156.9 Ų156.985%0.85377%0.771SS**THydrogen-bonded Turntrans-82.5-13.6172.9-72156.6000113.9N206N206-L208 PolarHBondContact O-N 2.71Å; N206-L208 PolarHBondContact OD1-N 3.06Å
209S65.3Low62.9Low75 Ų75158 Ų15852%0.52478%0.777SS.*THydrogen-bonded Turntrans-91.7-14.9176.375.50000113.8N206 K211N206-S209 WeakPolarHBondContact O-CA 3.41Å; N206-S209 WeakPolarHBondContact O-CB 3.46Å; N206-S209 PolarHBondContact O-N 3.33Å; N206-S209 PolarHBondContact O-OG 2.8Å; S209-K211 PolarHBondContact O-N 3.07Å; S209-K211 VanDerWaalsContact O-N 3.15Å
210C65.8Low62Low75 Ų75152.6 Ų152.651%0.50777%0.766SS.*SBendtrans-8194.6174.3-67.90000109.1K212C210-K212 PolarHBondContact O-N 3.15Å; C210-K212 VanDerWaalsContact O-N 3.08Å
211K69.6Low61.1Low202 Ų202151.9 Ų151.988%0.87876%0.763SS**  trans-49.9120.5166.2-72.3-177.1178.4179.10108.1S209 K213S209-K211 PolarHBondContact O-N 3.07Å; S209-K211 VanDerWaalsContact O-N 3.15Å; K211-K213 PolarHBondContact O-N 2.91Å
212K70.1Confident60.1Low200 Ų200146.6 Ų146.687%0.8776%0.761SS**  trans-47.2127.9175.6-75.6-178.5178.6178.10108.6C210 K214C210-K212 PolarHBondContact O-N 3.15Å; C210-K212 VanDerWaalsContact O-N 3.08Å; K212-K214 PolarHBondContact O-N 3.2Å
213K70Confident59.1Low204 Ų204145.3 Ų145.389%0.88776%0.755SS**  trans-59.3104177.5-168.6177.2-176.7-178.30107.7K211 K215K211-K213 PolarHBondContact O-N 2.91Å; K213-K215 PolarHBondContact O-N 3.2Å
214K65.4Low57.9Low193 Ų193146.2 Ų146.284%0.83976%0.759SS**PPolyproline II helixtrans-62.4118.6172.8-74.6-172.6176-172.70107.6K212 K216K212-K214 PolarHBondContact O-N 3.2Å; K214-K216 PolarHBondContact O-N 3.08Å
215K57.7Low56.2Low202 Ų202148 Ų14888%0.87877%0.768SS**PPolyproline II helixtrans-61.8117.1165.5-77.4-179.1175.6-178.90106.6K213K213-K215 PolarHBondContact O-N 3.2Å
216K54.6Low54.7Low201 Ų201149.8 Ų149.887%0.87477%0.772SS**PPolyproline II helixtrans-81.2117165.7-71.2-175.8176.2-174.60106.1K214K214-K216 PolarHBondContact O-N 3.08Å
217E56.6Low53.3Low172 Ų172154.2 Ų154.280%0.80479%0.787SS**PPolyproline II helixtrans-69.6146.8164.5-71-171.9165.700109.3T219E217-T219 PolarHBondContact O-N 3.24Å
218P43.7Very low51.9Low125 Ų125157.8 Ų157.881%0.81279%0.794SS**  trans-84.3110.5-174.432.3-27.6000108.8
219T45.9Very low50.7Low140 Ų140154.6 Ų154.686%0.85979%0.785SS**  trans-133.4112.2161.738.10000111.9E217E217-T219 PolarHBondContact O-N 3.24Å
220D43.8Very low49.6Very low127 Ų127162.1 Ų162.168%0.67980%0.802SS**  trans-19.1142.3163.3-112.5-4.1000120.4
221R41.8Very low48.2Very low207 Ų207169.1 Ų169.178%0.78182%0.818SS**  trans87.7119.8138.9-66.9168.6-165.8-145.40.1121.7
222S39Very low46.9Very low117 Ų117171.5 Ų171.582%0.81882%0.821SS**  trans73.4137.1148.382.80000115.6
223S43.5Very low45.3Very low100 Ų100170.4 Ų170.470%0.69982%0.816SS**  cis-165135.710.439.20000108.9
224K37.9Very low44Very low200 Ų200171.7 Ų171.787%0.8782%0.816SS**  trans51.8122.3137.2-65.9-179.8177177.10121.2
225A35.8Very low42.9Very low96 Ų96171 Ų17179%0.79382%0.815SS**  trans72.2142133.700000116.6
226D38.4Very low41.7Very low142 Ų142164.9 Ų164.976%0.75981%0.809SS**  cis-168.8170.918.7-156.6-6.4000109.3
227K42.9Very low41Very low184 Ų184167 Ų16780%0.881%0.812SS**  trans99.486.9159.8-62.8174.5-178175.20119.5
228Q36.4Very low40Very low188 Ų188164 Ų16488%0.87981%0.81SS**  trans-28.4166139.4-69.2173.9-1700117.5
229S40.3Very low40.1Very low97 Ų97166 Ų16668%0.67881%0.814SS**  trans97.8127.6159.1118.60000113.6
230R42.8Very low39.9Very low233 Ų233167.6 Ų167.688%0.87981%0.809SS**  cis-160.2137.324.5-100.8147.6-175-163.60.9110.7
231R37.2Very low39.7Very low222 Ų222168 Ų16884%0.83881%0.811SS**  trans-42.1143.2152.6-90.8169.6153.7-179.8-3.2111.9
232R41Very low39.7Very low251 Ų251166.9 Ų166.995%0.94782%0.815SS**  trans-154113.3137.3-108.7168.7-170.5-173.22.4112.3
233K37.3Very low39.9Very low177 Ų177170.2 Ų170.277%0.7782%0.818SS**  trans-62.9144.4161.8-70.3171.9170.41790110.2
234R41.9Very low39.7Very low231 Ų231177.2 Ų177.287%0.87283%0.829SS**  trans-148107.8146.5-76.3-161.1160.6169.5-6.5108.3
235H43Very low40Very low180 Ų180176.1 Ų176.183%0.83383%0.831SS**  66.8116.8106.8-67.3-68.8000112.2
236G32.9Very low40.6Very low73 Ų73175.8 Ų175.875%0.75383%0.828SS**  cis108.194.936.200000108.2
237R38.9Very low41Very low244 Ų244174.5 Ų174.592%0.92183%0.83SS**  trans-158.682.7159.9-110.1179.3-175.9178.61.5109
238S36.1Very low41.2Very low111 Ų111173 Ų17378%0.77684%0.836SS**  trans-78.3113.2157490000107.6F240S238-F240 PolarHBondContact O-N 3.4Å
239N44.8Very low41.7Very low165 Ų165167.3 Ų167.388%0.88283%0.827SS**  trans-84.7101.8164.3-96-4.4000108
240F41.7Very low41.9Very low174 Ų174176.1 Ų176.176%0.76386%0.858SS**  trans-64.4159.2168.5-156.4-107.7000110.4S238S238-F240 PolarHBondContact O-N 3.4Å
241D40Very low41.8Very low136 Ų136173.3 Ų173.373%0.72786%0.857SS**  trans83.663.5170.3-63.3-28.8000119.2
242Q42.6Very low42.1Very low184 Ų184170.7 Ų170.786%0.8686%0.858SS**SBendtrans-111.4138.1133.4-80.3175.9-8.900107.2
243Q42Very low42.1Very low187 Ų187166.2 Ų166.287%0.87485%0.853SS**  trans9286.3179.5-53.5172.6-300116
244R38.9Very low42.4Very low246 Ų246165.6 Ų165.693%0.92886%0.858SS**  trans-171.669.6140.1-112.3179.4177-173.6-1.1112.4
245I44.5Very low42.4Very low178 Ų178161.5 Ų161.591%0.91386%0.857SS**  trans-148.188.3153.2-53.1-178.8000107.6
246A48.7Very low42.4Very low88 Ų88160.3 Ų160.373%0.72786%0.858SS**  trans-155.7132.9161.100000107.7
247S47.1Very low43.1Very low115 Ų115166.5 Ų166.580%0.80487%0.866SS**  trans60.6120.9178.156.30000116.2
248V46.3Very low43.4Very low153 Ų153160.5 Ų160.593%0.92786%0.862SS**  cis46.8105.623-165.80000114.2
249G47.5Very low44Very low68 Ų68164.7 Ų164.770%0.70187%0.869SS**  trans153108.716500000111.7
250E44Very low43.9Very low282 Ų282164.6 Ų164.6100%1.31887%0.868SS**  trans84.50179-59.2-177.7168.300118

Retrieved 250 of 250 residues in 873.6 ms (Link to these results)

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