A0A146XUM9_FUNHE Loading...

Core-binding factor subunit beta

Forms the heterodimeric complex core-binding factor (CBF) with RUNX family proteins (RUNX1, RUNX2, and RUNX3). RUNX members modulate the transcription of their target genes through recognizing the core consensus binding sequence 5'-TGTGGT-3', or very rarely, 5'-TGCGGT-3', within their regulatory regions via their runt domain, while CBFB is a non-DNA-binding regulatory subunit that allosterically enhances the sequence-specific DNA-binding capacity of RUNX. The heterodimers bind to the core site of a number of enhancers and promoters, including murine leukemia virus, polyomavirus enhancer, T-cell receptor enhancers, LCK, IL3 and GM-CSF promoters. CBF complexes repress ZBTB7B transcription factor during cytotoxic (CD8+) T cell development. They bind to RUNX-binding sequence within the ZBTB7B locus acting as transcriptional silencer and allowing for cytotoxic T cell differentiation.

AlphaFold DB , UniProt , Accession A0A146XUM9, Species FUNHE (Fundulus heteroclitus, Killifish), Gene n/a, Length 174 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
1M54.4Low80.1Confident231 Ų23189.1 Ų89.1100%1.13846%0.457SS*.  0135.30-84.2176.9160.900108.1
2P61.7Low81.1Confident86 Ų8683.6 Ų83.656%0.55843%0.428SS*.  trans-62.8138.6-179.225.4-31.9000110.5V4 A139P2-V4 VanDerWaalsContact C-N 3.34Å; P2-A139 HydrophobicContact CB-CB 4.07Å
3R73.6Confident82Confident147 Ų14785 Ų8556%0.55543%0.432SS*.SBendtrans-80.8-18.6-179.5-64.1177.471.9-167.28112.6I102 E135R3-I102 HydrophobicContact CB-CD1 4.43Å; R3-E135 IonicContact NH1-OE1 2.65Å; R3-E135 IonicContact NH1-OE2 3.95Å
4V82.6Confident82.7Confident10 Ų1086.8 Ų86.86%0.06144%0.443CS..SBendtrans-121.7153.2-175.9-66.40000111.3P2 Q8 I102 G105 E135 D136 A139P2-V4 VanDerWaalsContact C-N 3.34Å; V4-Q8 HydrophobicContact CB-CG 4.49Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.26Å; V4-G105 CarbonylContact C-O 3.57Å; V4-G105 VanDerWaalsContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CB-O 3.46Å; V4-E135 HydrophobicContact CG1-CB 3.75Å; V4-E135 HydrophobicContact CG1-CG 4.45Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; V4-D136 WeakPolarHBondContact CG2-OD1 3.17Å; V4-A139 HydrophobicContact CG2-CB 3.91Å
5V82.1Confident83.4Confident40 Ų4085.8 Ų85.824%0.24244%0.436CS..  trans-88.4154.1175.4-66.40000111.1Q8 K11 G105 V106V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 2.95Å; V5-K11 HydrophobicContact CG2-CD 3.66Å; V5-G105 WeakPolarHBondContact CG2-O 2.99Å; V5-G105 PolarHBondContact N-O 2.64Å; V5-V106 HydrophobicContact CG2-CG2 4.22Å
6P78.3Confident83.8Confident110 Ų11088.1 Ų88.171%0.71444%0.444SS*.THydrogen-bonded Turntrans-58.4150.6165.2-20.532.8000111.6Q8P6-Q8 VanDerWaalsContact C-N 3.34Å; P6-Q8 PolarHBondContact O-N 3.4Å
7D85.1Confident84.3Confident129 Ų12986.9 Ų86.969%0.6944%0.435SS*.THydrogen-bonded Turntrans53.145.1175.8-58.6-47.5000114R9 S10 K11D7-R9 PolarHBondContact O-N 3.5Å; D7-R9 VanDerWaalsContact O-N 3.11Å; D7-S10 WeakPolarHBondContact O-CB 3.26Å; D7-S10 PolarHBondContact O-N 3.02Å; D7-K11 PolarHBondContact O-N 3.19Å; D7-K11 VanDerWaalsContact O-N 3.14Å
8Q89.4Confident84.7Confident1 Ų182.1 Ų82.11%0.00541%0.411CS..Hα-helixtrans-48.6-42.5-176.8-59.6-173.347.700113.2V4 V5 P6 K11 F12 V106 C107 Y127 A132 D136V4-Q8 HydrophobicContact CB-CG 4.49Å; V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 2.95Å; P6-Q8 VanDerWaalsContact C-N 3.34Å; P6-Q8 PolarHBondContact O-N 3.4Å; Q8-K11 PolarHBondContact O-N 3.48Å; Q8-F12 PolarHBondContact O-N 3.35Å; Q8-V106 HydrophobicContact CB-CG1 4.29Å; Q8-C107 PolarHBondContact OE1-SG 3.06Å; Q8-Y127 HydrophobicContact CB-CE2 3.84Å; Q8-A132 PolarHBondContact NE2-O 2.91Å; Q8-D136 PolarHBondContact NE2-OD1 3.09Å
9R90.5Very high85.1Confident116 Ų11685.1 Ų85.144%0.43842%0.417SS..Hα-helixtrans-58.8-47.6177.3179.5178.2-75.7-99.54.7112.4D7 K11 F12 E13 Y127 D129D7-R9 PolarHBondContact O-N 3.5Å; D7-R9 VanDerWaalsContact O-N 3.11Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 3.1Å; R9-F12 PolarHBondContact O-N 3.3Å; R9-E13 WeakPolarHBondContact CG-OE1 3.2Å; R9-E13 IonicContact NH1-OE1 2.82Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.46Å; R9-Y127 HydrophobicContact CB-CE1 4.08Å; R9-Y127 HydrophobicContact CB-CE2 4.35Å; R9-Y127 HydrophobicContact CG-CE1 4.49Å; R9-Y127 PolarHBondContact N-OH 2.74Å; R9-D129 IonicContact CZ-OD1 2.8Å; R9-D129 IonicContact NE-OD1 3.1Å; R9-D129 IonicContact NH2-OD1 3.94Å; R9-D129 PolarHBondContact NH2-OD1 3.02Å
10S91.8Very high85.5Confident58 Ų5885.9 Ų85.941%0.40642%0.418SS..Hα-helixtrans-61.7-41.4178.4-179.30000110.9D7 E13 N14D7-S10 WeakPolarHBondContact O-CB 3.26Å; D7-S10 PolarHBondContact O-N 3.02Å; S10-E13 PolarHBondContact O-N 3.32Å; S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.33Å; S10-N14 PolarHBondContact O-N 2.82Å; S10-N14 PolarHBondContact O-ND2 3.42Å; S10-N14 PolarHBondContact OG-ND2 3Å; S10-N14 VanDerWaalsContact OG-ND2 3.08Å
11K91.6Very high85.8Confident52 Ų5281.8 Ų81.823%0.22640%0.399CS..Hα-helixtrans-62.7-44.6176.2-168.6173.8-177.3-176.10111.9V5 D7 Q8 R9 E13 E15 F18 N104 V106V5-K11 HydrophobicContact CG2-CD 3.66Å; D7-K11 PolarHBondContact O-N 3.19Å; D7-K11 VanDerWaalsContact O-N 3.14Å; Q8-K11 PolarHBondContact O-N 3.48Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 3.1Å; K11-E13 PolarHBondContact O-N 3.09Å; K11-E15 WeakPolarHBondContact CE-OE1 3.43Å; K11-E15 VanDerWaalsContact CE-OE2 3.3Å; K11-E15 WeakPolarHBondContact CE-OE2 3.38Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 VanDerWaalsContact O-CB 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.26Å; K11-E15 WeakPolarHBondContact O-CG 3.32Å; K11-E15 PolarHBondContact O-N 3.12Å; K11-F18 HydrophobicContact CG-CE2 4.49Å; K11-N104 PolarHBondContact NZ-O 2.69Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.76Å; K11-V106 HydrophobicContact CG-CG2 4.04Å
12F92.8Very high87.6Confident23 Ų2372.6 Ų72.610%0.10136%0.357CS..Hα-helixtrans-60.9-43.1176.9-174.4-94.5000112.5Q8 R9 F18 S22 V106 V108 L125 Y127Q8-F12 PolarHBondContact O-N 3.35Å; R9-F12 PolarHBondContact O-N 3.3Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CE1 4.29Å; F12-F18 AromaticContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CE2-CB 4.32Å; F12-F18 AromaticContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CG 4.39Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.49Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.3Å; F12-S22 WeakPolarHBondContact CZ-OG 3.33Å; F12-V106 HydrophobicContact CB-CG1 4.01Å; F12-V106 HydrophobicContact CD2-CG1 4.14Å; F12-V108 HydrophobicContact CD2-CG1 3.7Å; F12-V108 HydrophobicContact CE2-CG1 3.65Å; F12-L125 HydrophobicContact CE2-CB 4.32Å; F12-Y127 HydrophobicContact CB-CD2 3.98Å; F12-Y127 HydrophobicContact CD1-CG 4.49Å; F12-Y127 HydrophobicContact CD2-CD2 4.36Å; F12-Y127 HydrophobicContact CG-CD2 4.05Å; F12-Y127 HydrophobicContact CG-CG 4.44Å
13E91.9Very high89.1Confident102 Ų10276.7 Ų76.748%0.47736%0.361SS..Hα-helixtrans-75.8-32.9-176.6-71174.3-177.500113R9 S10 K11 R19R9-E13 WeakPolarHBondContact CG-OE1 3.2Å; R9-E13 IonicContact NH1-OE1 2.82Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.46Å; S10-E13 PolarHBondContact O-N 3.32Å; K11-E13 PolarHBondContact O-N 3.09Å; E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 VanDerWaalsContact O-CG 3.26Å; E13-R19 WeakPolarHBondContact O-CG 3.48Å
14N91.7Very high90Very high110 Ų11075.3 Ų75.359%0.58836%0.361SS*.Hα-helixtrans-99.2-30.8-171.4-67.2-51.2000114.4S10 E16S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.33Å; S10-N14 PolarHBondContact O-N 2.82Å; S10-N14 PolarHBondContact O-ND2 3.42Å; S10-N14 PolarHBondContact OG-ND2 3Å; S10-N14 VanDerWaalsContact OG-ND2 3.08Å; N14-E16 PolarHBondContact O-N 3.13Å
15E93.4Very high90.5Very high72 Ų7275.8 Ų75.834%0.33636%0.364SS..  trans-72.5128.7-179.2-74.2-168.8164.600111.8K11 F17 F18 R19K11-E15 WeakPolarHBondContact CE-OE1 3.43Å; K11-E15 VanDerWaalsContact CE-OE2 3.3Å; K11-E15 WeakPolarHBondContact CE-OE2 3.38Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 VanDerWaalsContact O-CB 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.26Å; K11-E15 WeakPolarHBondContact O-CG 3.32Å; K11-E15 PolarHBondContact O-N 3.12Å; E15-F17 PolarHBondContact O-N 3.31Å; E15-F17 VanDerWaalsContact O-N 3.15Å; E15-F18 HydrophobicContact CB-CD2 4.04Å; E15-F18 PolarHBondContact O-N 3.15Å; E15-F18 VanDerWaalsContact O-N 3.13Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.38Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 3.5Å
16E90.8Very high91.3Very high123 Ų12377.6 Ų77.658%0.57537%0.371SS*.Hα-helixtrans-57-34-180-168.1-174.6172.900112.4N14 R19 K20N14-E16 PolarHBondContact O-N 3.13Å; E16-R19 PolarHBondContact O-N 3.03Å; E16-K20 HydrophobicContact CG-CD 4.23Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 VanDerWaalsContact O-CG 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.16Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 WeakPolarHBondContact OE1-CE 3.19Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 2.9Å
17F90.8Very high92.2Very high67 Ų6772.4 Ų72.429%0.29434%0.336SS..Hα-helixtrans-56.9-53.7175.9175.3-100.2000111.8E15 L21 T62 L103E15-F17 PolarHBondContact O-N 3.31Å; E15-F17 VanDerWaalsContact O-N 3.15Å; F17-L21 HydrophobicContact CD1-CD1 4.41Å; F17-L21 HydrophobicContact CD2-CD1 4.34Å; F17-L21 HydrophobicContact CE1-CD1 3.84Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.48Å; F17-L21 VanDerWaalsContact CZ-CD1 3.48Å; F17-L21 WeakPolarHBondContact O-CG 3.26Å; F17-L21 PolarHBondContact O-N 3.42Å; F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.16Å; F17-L103 HydrophobicContact CE1-CD2 3.63Å; F17-L103 HydrophobicContact CE1-CG 4.09Å; F17-L103 HydrophobicContact CZ-CD2 3.97Å
18F92.5Very high92.7Very high0 Ų070.1 Ų70.10%032%0.321CS..Hα-helixtrans-67.8-45.4178.7-72.6-69.6000111.3K11 F12 E15 K20 L21 S22 L103 N104 V106 V108 L125K11-F18 HydrophobicContact CG-CE2 4.49Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CE1 4.29Å; F12-F18 AromaticContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CE2-CB 4.32Å; F12-F18 AromaticContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CG 4.39Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.49Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.3Å; E15-F18 HydrophobicContact CB-CD2 4.04Å; E15-F18 PolarHBondContact O-N 3.15Å; E15-F18 VanDerWaalsContact O-N 3.13Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.38Å; F18-K20 PolarHBondContact O-N 3.28Å; F18-K20 VanDerWaalsContact O-N 3.12Å; F18-L21 CarbonylContact O-C 3.56Å; F18-L21 PolarHBondContact O-N 2.86Å; F18-S22 PolarHBondContact O-N 2.91Å; F18-S22 PolarHBondContact O-OG 2.91Å; F18-L103 HydrophobicContact CE1-CB 4.23Å; F18-L103 HydrophobicContact CE1-CD2 4.02Å; F18-L103 HydrophobicContact CE1-CG 4.25Å; F18-L103 HydrophobicContact CZ-CB 4.44Å; F18-L103 HydrophobicContact CZ-CG 4.45Å; F18-L103 WeakPolarHBondContact CZ-O 3.16Å; F18-N104 HydrophobicContact CZ-CB 4.29Å; F18-V106 HydrophobicContact CE1-CB 4.36Å; F18-V106 HydrophobicContact CE2-CB 4.3Å; F18-V106 HydrophobicContact CE2-CG2 3.84Å; F18-V106 HydrophobicContact CZ-CB 3.82Å; F18-V106 HydrophobicContact CZ-CG1 4.45Å; F18-V106 HydrophobicContact CZ-CG2 3.85Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; F18-L125 HydrophobicContact CD1-CD1 4.2Å; F18-L125 HydrophobicContact CE1-CD1 4.46Å
19R92.6Very high93.1Very high139 Ų13970.6 Ų70.653%0.52532%0.322SS..Hα-helixtrans-55.6-35.2179.1-67.5177.771.5-169.21.2113.6E13 E15 E16E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 VanDerWaalsContact O-CG 3.26Å; E13-R19 WeakPolarHBondContact O-CG 3.48Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 3.5Å; E16-R19 PolarHBondContact O-N 3.03Å
20K92.1Very high93.3Very high101 Ų10166 Ų6644%0.43931%0.307SS..Hα-helixtrans-68.5-44174.2-78.1175.5178.9167.60111.7E16 F18 T60E16-K20 HydrophobicContact CG-CD 4.23Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 VanDerWaalsContact O-CG 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.16Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 WeakPolarHBondContact OE1-CE 3.19Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 2.9Å; F18-K20 PolarHBondContact O-N 3.28Å; F18-K20 VanDerWaalsContact O-N 3.12Å; K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.35Å
21L92.8Very high93.4Very high1 Ų163.5 Ų63.51%0.00529%0.29CS..Hα-helixtrans-81.7-17.5-176.5-60.8-175.9000114F17 F18 R23 F57 T60 T62 Y124 L125F17-L21 HydrophobicContact CD1-CD1 4.41Å; F17-L21 HydrophobicContact CD2-CD1 4.34Å; F17-L21 HydrophobicContact CE1-CD1 3.84Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.48Å; F17-L21 VanDerWaalsContact CZ-CD1 3.48Å; F17-L21 WeakPolarHBondContact O-CG 3.26Å; F17-L21 PolarHBondContact O-N 3.42Å; F18-L21 CarbonylContact O-C 3.56Å; F18-L21 PolarHBondContact O-N 2.86Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 2.92Å; L21-F57 HydrophobicContact CB-CZ 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.5Å; L21-F57 HydrophobicContact CD2-CB 3.99Å; L21-F57 HydrophobicContact CD2-CD1 3.84Å; L21-F57 HydrophobicContact CD2-CD2 3.67Å; L21-F57 HydrophobicContact CD2-CE1 4.16Å; L21-F57 HydrophobicContact CD2-CE2 4.01Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.24Å; L21-T60 HydrophobicContact CD2-CG2 4.02Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; L21-Y124 CarbonylContact O-C 3.49Å; L21-Y124 VanDerWaalsContact O-CA 3.22Å; L21-Y124 WeakPolarHBondContact O-CA 3.43Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.02Å; L21-L125 HydrophobicContact CD1-CD1 3.84Å; L21-L125 HydrophobicContact CG-CD1 4.43Å; L21-L125 PolarHBondContact O-N 2.77Å
22S92.8Very high93.5Very high37 Ų3765.3 Ų65.326%0.25930%0.298SS..THydrogen-bonded Turntrans-75.3-16.1175.2-56.10000113.5F12 F18 L125F12-S22 WeakPolarHBondContact CZ-OG 3.33Å; F18-S22 PolarHBondContact O-N 2.91Å; F18-S22 PolarHBondContact O-OG 2.91Å; S22-L125 VanDerWaalsContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CA-O 3.41Å
23R92.4Very high93.4Very high173 Ų17372 Ų7265%0.65332%0.323SS*.SBendtrans-85.2144.7173.1-64.6178.6-179.1-168.8-2.2108.8L21 C25L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 2.92Å; R23-C25 PolarHBondContact O-N 3.5Å; R23-C25 VanDerWaalsContact O-N 3.09Å; R23-C25 PolarHBondContact O-SG 3.41Å
24E92.8Very high93.5Very high117 Ų11772.9 Ų72.955%0.54733%0.331SS..  trans-57.2118.2173.2-162.7178-157.900109.8M122 Y124E24-M122 HydrophobicContact CG-CB 3.82Å; E24-M122 HydrophobicContact CG-CE 3.79Å; E24-M122 HydrophobicContact CG-CG 4.47Å; E24-M122 WeakPolarHBondContact OE1-CB 3.45Å; E24-Y124 HydrophobicContact CG-CD1 4.42Å
25C93.4Very high93.7Very high20 Ų2073.3 Ų73.314%0.13532%0.324CS..EExtended strand (participates in β ladder)trans-129.3150.4-173.9-74.80000110.4R23 I27 F57 M122 G123R23-C25 PolarHBondContact O-N 3.5Å; R23-C25 VanDerWaalsContact O-N 3.09Å; R23-C25 PolarHBondContact O-SG 3.41Å; C25-I27 PolarHBondContact O-N 2.92Å; C25-F57 HydrophobicContact CB-CD1 3.61Å; C25-F57 HydrophobicContact CB-CE1 3.98Å; C25-M122 CarbonylContact O-C 3.48Å; C25-M122 WeakPolarHBondContact O-CA 3.49Å; C25-G123 PolarHBondContact N-O 2.85Å; C25-G123 PolarHBondContact O-N 2.86Å
26E97Very high93.9Very high79 Ų7974.1 Ų74.137%0.36934%0.336SS..EExtended strand (participates in β ladder)trans-63.1132.4172.3-171.1-172164.500109.9K28 V58 G121 M122E26-K28 WeakPolarHBondContact OE1-CE 3.34Å; E26-K28 IonicContact OE1-NZ 3.02Å; E26-K28 PolarHBondContact OE1-NZ 2.97Å; E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.21Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.87Å; E26-V58 PolarHBondContact O-N 2.93Å; E26-G121 WeakPolarHBondContact CA-O 3.33Å; E26-M122 HydrophobicContact CB-SD 4.28Å
27I97.6Very high94.1Very high0 Ų072.4 Ų72.40%033%0.327CS..EExtended strand (participates in β ladder)trans-123.5153.2176.958.7170.6000110.8C25 A56 F57 W110 I114 D120 G121C25-I27 PolarHBondContact O-N 2.92Å; I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.44Å; I27-F57 HydrophobicContact CG2-CD1 3.78Å; I27-F57 HydrophobicContact CG2-CE1 3.94Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; I27-W110 HydrophobicContact CD1-CH2 3.89Å; I27-W110 HydrophobicContact CD1-CZ2 3.51Å; I27-I114 HydrophobicContact CD1-CD1 4.09Å; I27-I114 HydrophobicContact CD1-CG1 3.73Å; I27-I114 HydrophobicContact CG1-CG1 4.35Å; I27-D120 CarbonylContact O-C 3.55Å; I27-D120 WeakPolarHBondContact O-CA 3.29Å; I27-G121 VanDerWaalsContact CG1-C 3.43Å; I27-G121 WeakPolarHBondContact CG1-O 3.11Å; I27-G121 PolarHBondContact N-O 3.46Å; I27-G121 PolarHBondContact O-N 3.14Å
28K97.2Very high94.3Very high82 Ų8276.6 Ų76.636%0.35735%0.348SS..EExtended strand (participates in β ladder)trans-133.8141.8173.6-69.7-175.4178.5167.10111.4E26 T30 V55 A56 V58 D120E26-K28 WeakPolarHBondContact OE1-CE 3.34Å; E26-K28 IonicContact OE1-NZ 3.02Å; E26-K28 PolarHBondContact OE1-NZ 2.97Å; K28-T30 WeakPolarHBondContact O-CG2 3.04Å; K28-T30 PolarHBondContact O-N 2.86Å; K28-V55 CarbonylContact O-C 3.45Å; K28-V55 WeakPolarHBondContact O-CA 3.36Å; K28-A56 PolarHBondContact N-O 3.41Å; K28-A56 PolarHBondContact O-N 2.85Å; K28-V58 HydrophobicContact CB-CG2 4.38Å; K28-V58 HydrophobicContact CD-CG2 3.87Å; K28-V58 HydrophobicContact CG-CG2 3.71Å; K28-D120 HydrophobicContact CG-CB 3.91Å
29Y96.9Very high94.5Very high11 Ų1179.2 Ų79.24%0.04336%0.36CS..EExtended strand (participates in β ladder)trans-67.4126.9167.5174.8-114.9000110G31 F32 R40 F44 E54 L119Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.32Å; Y29-G31 VanDerWaalsContact CZ-CA 3.47Å; Y29-F32 VanDerWaalsContact OH-CD2 3.31Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.35Å; Y29-R40 PolarHBondContact O-NH2 3.36Å; Y29-F44 HydrophobicContact CD1-CB 4.16Å; Y29-F44 HydrophobicContact CD1-CD2 4.32Å; Y29-F44 HydrophobicContact CD1-CG 4.5Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.29Å; Y29-F44 HydrophobicContact CE1-CB 3.98Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CG 4.49Å; Y29-F44 HydrophobicContact CG-CB 4.41Å; Y29-F44 AromaticContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CE2 4.34Å; Y29-F44 HydrophobicContact CG-CG 4.28Å; Y29-E54 WeakPolarHBondContact CD2-O 3.39Å; Y29-L119 HydrophobicContact CD1-CD1 4.13Å; Y29-L119 PolarHBondContact N-O 2.8Å
30T95.6Very high94.7Very high20 Ų2074.4 Ų74.412%0.12334%0.342CS..  trans-107.2-3.7-173.155.20000114.7K28 R33 E54 A56K28-T30 WeakPolarHBondContact O-CG2 3.04Å; K28-T30 PolarHBondContact O-N 2.86Å; T30-R33 WeakPolarHBondContact O-CG 3.13Å; T30-E54 PolarHBondContact N-O 3.38Å; T30-E54 VanDerWaalsContact N-O 3.11Å; T30-E54 PolarHBondContact OG1-O 3.47Å; T30-A56 HydrophobicContact CG2-CB 3.36Å
31G92.8Very high94.9Very high4 Ų471.6 Ų71.64%0.04133%0.331CS..THydrogen-bonded Turntrans-71.7150.8178.100000113.4Y29 R33 R40Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.32Å; Y29-G31 VanDerWaalsContact CZ-CA 3.47Å; G31-R33 VanDerWaalsContact C-N 3.3Å; G31-R33 PolarHBondContact O-N 2.8Å; G31-R40 PolarHBondContact O-NE 3.01Å; G31-R40 VanDerWaalsContact O-NE 3.11Å; G31-R40 PolarHBondContact O-NH2 3.15Å
32F92.8Very high95Very high90 Ų9074 Ų7440%0.39535%0.35SS..THydrogen-bonded Turntrans49.142.3171.7-56-81.3000114.3Y29 D34 R35 R40 R43Y29-F32 VanDerWaalsContact OH-CD2 3.31Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.35Å; F32-D34 PolarHBondContact O-N 2.67Å; F32-D34 VanDerWaalsContact O-N 3.15Å; F32-R35 HydrophobicContact CB-CB 4.19Å; F32-R35 HydrophobicContact CB-CG 3.88Å; F32-R35 HydrophobicContact CD1-CG 4.39Å; F32-R35 WeakPolarHBondContact O-CB 2.89Å; F32-R35 PolarHBondContact O-N 3.17Å; F32-R40 HydrophobicContact CB-CG 4.24Å; F32-R40 WeakPolarHBondContact O-CD 3.39Å; F32-R40 VanDerWaalsContact O-CG 3.22Å; F32-R40 WeakPolarHBondContact O-CG 3.3Å; F32-R40 PolarHBondContact O-NE 2.81Å; F32-R43 HydrophobicContact CD2-CB 3.95Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.37Å
33R92Very high95.1Very high163 Ų16376.9 Ų76.962%0.61536%0.355SS*.THydrogen-bonded Turntrans-61.2-20.5-178.7-72.9178.4178-1333.9113.9T30 G31 R35T30-R33 WeakPolarHBondContact O-CG 3.13Å; G31-R33 VanDerWaalsContact C-N 3.3Å; G31-R33 PolarHBondContact O-N 2.8Å; R33-R35 VanDerWaalsContact C-N 3.28Å
34D94.6Very high95.3Very high121 Ų12168.6 Ų68.665%0.64732%0.324SS*.THydrogen-bonded Turntrans-76.4-11.2175.361.7-56.4000113.6F32F32-D34 PolarHBondContact O-N 2.67Å; F32-D34 VanDerWaalsContact O-N 3.15Å
35R95.6Very high95.3Very high120 Ų12065.5 Ų65.545%0.45331%0.31SS..SBendtrans-100.5156.8-172.5-58.8-63.7169.2151.7-1113.2F32 R33 E39 R40F32-R35 HydrophobicContact CB-CB 4.19Å; F32-R35 HydrophobicContact CB-CG 3.88Å; F32-R35 HydrophobicContact CD1-CG 4.39Å; F32-R35 WeakPolarHBondContact O-CB 2.89Å; F32-R35 PolarHBondContact O-N 3.17Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R35-E39 HydrophobicContact CB-CB 4.43Å; R35-R40 HydrophobicContact CB-CG 4.11Å; R35-R40 WeakPolarHBondContact O-CD 3.38Å
36P96.8Very high95.3Very high89 Ų8968.4 Ų68.458%0.57832%0.324SS*.  trans-55.6147.7172.2-2434.5000112.2E38 E39 R40P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.08Å; P36-E39 WeakPolarHBondContact O-CB 3.49Å; P36-E39 PolarHBondContact O-N 2.89Å; P36-R40 WeakPolarHBondContact O-CG 3.4Å; P36-R40 PolarHBondContact O-N 3.45Å
37H95.3Very high95.1Very high86 Ų8665.4 Ų65.440%0.39831%0.312SS..Hα-helixtrans-56.5-43.6-173.8-17065.9000113.5E39 R40 Q41 Q117H37-E39 VanDerWaalsContact C-N 3.34Å; H37-E39 PolarHBondContact O-N 3.29Å; H37-R40 WeakPolarHBondContact O-CB 3.49Å; H37-R40 PolarHBondContact O-N 3.21Å; H37-R40 VanDerWaalsContact O-N 3.13Å; H37-Q41 PolarHBondContact CD2-NE2 2.77Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.29Å; H37-Q41 PolarHBondContact NE2-NE2 2.97Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.17Å; H37-Q41 WeakPolarHBondContact O-CG 3.25Å; H37-Q41 PolarHBondContact O-N 2.84Å; H37-Q117 PolarHBondContact CE1-O 2.85Å; H37-Q117 VanDerWaalsContact CE1-O 3.3Å; H37-Q117 PolarHBondContact NE2-O 3.01Å
38E95.8Very high94.8Very high155 Ų15565.4 Ų65.472%0.72431%0.312SS*.Hα-helixtrans-61.2-40.7177.1-172178.8-175.500112.4P36 R40 Q41 A42P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.08Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.38Å; E38-Q41 PolarHBondContact O-N 3.27Å; E38-A42 PolarHBondContact O-N 3.47Å; E38-A42 VanDerWaalsContact O-N 3.12Å
39E96.1Very high94.5Very high55 Ų5567.4 Ų67.426%0.25732%0.318SS..Hα-helixtrans-64.9-39.3175.2-168-174.7159.300110.8R35 P36 H37 Q41 A42 R43R35-E39 HydrophobicContact CB-CB 4.43Å; P36-E39 WeakPolarHBondContact O-CB 3.49Å; P36-E39 PolarHBondContact O-N 2.89Å; H37-E39 VanDerWaalsContact C-N 3.34Å; H37-E39 PolarHBondContact O-N 3.29Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.94Å; E39-A42 PolarHBondContact O-N 2.84Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.22Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.8Å; E39-R43 IonicContact OE1-CZ 3.04Å; E39-R43 VanDerWaalsContact OE1-CZ 3.22Å; E39-R43 IonicContact OE1-NE 2.67Å; E39-R43 PolarHBondContact OE1-NE 3.34Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.7Å
40R96.4Very high94.1Very high39 Ų3971.5 Ų71.515%0.14734%0.341CS..Hα-helixtrans-63.4-40.2176.3-63.7-179.570.1-139.5-5.6111.8Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119Y29-R40 PolarHBondContact O-NH2 3.36Å; G31-R40 PolarHBondContact O-NE 3.01Å; G31-R40 VanDerWaalsContact O-NE 3.11Å; G31-R40 PolarHBondContact O-NH2 3.15Å; F32-R40 HydrophobicContact CB-CG 4.24Å; F32-R40 WeakPolarHBondContact O-CD 3.39Å; F32-R40 VanDerWaalsContact O-CG 3.22Å; F32-R40 WeakPolarHBondContact O-CG 3.3Å; F32-R40 PolarHBondContact O-NE 2.81Å; R35-R40 HydrophobicContact CB-CG 4.11Å; R35-R40 WeakPolarHBondContact O-CD 3.38Å; P36-R40 WeakPolarHBondContact O-CG 3.4Å; P36-R40 PolarHBondContact O-N 3.45Å; H37-R40 WeakPolarHBondContact O-CB 3.49Å; H37-R40 PolarHBondContact O-N 3.21Å; H37-R40 VanDerWaalsContact O-N 3.13Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.38Å; R40-R43 PolarHBondContact O-N 2.76Å; R40-F44 VanDerWaalsContact O-CB 3.31Å; R40-F44 WeakPolarHBondContact O-CB 3.29Å; R40-F44 PolarHBondContact O-N 3.17Å; R40-L119 HydrophobicContact CB-CD1 3.65Å
41Q96.1Very high93.8Very high42 Ų4270.6 Ų70.620%0.19634%0.335CS..Hα-helixtrans-61.1-49.2176.4-67.2169.1-20.200111.5H37 E38 E39 R43 F44 Q45 L116 Q117 L119H37-Q41 PolarHBondContact CD2-NE2 2.77Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.29Å; H37-Q41 PolarHBondContact NE2-NE2 2.97Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.17Å; H37-Q41 WeakPolarHBondContact O-CG 3.25Å; H37-Q41 PolarHBondContact O-N 2.84Å; E38-Q41 PolarHBondContact O-N 3.27Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.94Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3Å; Q41-F44 PolarHBondContact O-N 3.49Å; Q41-Q45 WeakPolarHBondContact O-CG 3.43Å; Q41-Q45 PolarHBondContact O-N 2.85Å; Q41-Q45 VanDerWaalsContact O-N 3.07Å; Q41-L116 WeakPolarHBondContact CG-O 3.45Å; Q41-Q117 PolarHBondContact NE2-O 2.85Å; Q41-L119 HydrophobicContact CG-CD1 4.11Å; Q41-L119 HydrophobicContact CG-CD2 4.24Å; Q41-L119 HydrophobicContact CG-CG 4.2Å
42A95.6Very high93.7Very high50 Ų5078 Ų7841%0.41336%0.362SS..Hα-helixtrans-62-43.3178.200000111.6E38 E39 Q45 N46E38-A42 PolarHBondContact O-N 3.47Å; E38-A42 VanDerWaalsContact O-N 3.12Å; E39-A42 PolarHBondContact O-N 2.84Å; A42-Q45 PolarHBondContact O-N 3.13Å; A42-N46 WeakPolarHBondContact O-CB 3.12Å; A42-N46 VanDerWaalsContact O-CG 3.25Å; A42-N46 PolarHBondContact O-N 3.03Å; A42-N46 PolarHBondContact O-ND2 3.11Å
43R95.3Very high93.8Very high98 Ų9874 Ų7437%0.3735%0.345SS..Hα-helixtrans-65.3-41.3177.8-74.1-176.2-177.6-73.8-2.9112.7F32 E39 R40 Q41 N46 A47F32-R43 HydrophobicContact CD2-CB 3.95Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.37Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.22Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.8Å; E39-R43 IonicContact OE1-CZ 3.04Å; E39-R43 VanDerWaalsContact OE1-CZ 3.22Å; E39-R43 IonicContact OE1-NE 2.67Å; E39-R43 PolarHBondContact OE1-NE 3.34Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.7Å; R40-R43 PolarHBondContact O-N 2.76Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3Å; R43-N46 PolarHBondContact O-N 3.43Å; R43-A47 VanDerWaalsContact O-CB 3.26Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.96Å
44F95.7Very high93.9Very high0 Ų071 Ų710%034%0.338CS..Hα-helixtrans-60.8-49.4176.2172.6-111000111.4Y29 R40 Q41 N46 A47 C48 S53 V95 L97 I114 L116 L119Y29-F44 HydrophobicContact CD1-CB 4.16Å; Y29-F44 HydrophobicContact CD1-CD2 4.32Å; Y29-F44 HydrophobicContact CD1-CG 4.5Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.29Å; Y29-F44 HydrophobicContact CE1-CB 3.98Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CG 4.49Å; Y29-F44 HydrophobicContact CG-CB 4.41Å; Y29-F44 AromaticContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CE2 4.34Å; Y29-F44 HydrophobicContact CG-CG 4.28Å; R40-F44 VanDerWaalsContact O-CB 3.31Å; R40-F44 WeakPolarHBondContact O-CB 3.29Å; R40-F44 PolarHBondContact O-N 3.17Å; Q41-F44 PolarHBondContact O-N 3.49Å; F44-N46 VanDerWaalsContact C-N 3.33Å; F44-N46 PolarHBondContact O-N 2.93Å; F44-A47 PolarHBondContact O-N 3.19Å; F44-C48 VanDerWaalsContact CE2-SG 3.55Å; F44-C48 VanDerWaalsContact CZ-SG 3.59Å; F44-C48 PolarHBondContact O-N 2.96Å; F44-C48 PolarHBondContact O-SG 3.11Å; F44-C48 VanDerWaalsContact O-SG 3.42Å; F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; F44-V95 HydrophobicContact CE1-CG1 3.6Å; F44-V95 HydrophobicContact CZ-CG1 3.72Å; F44-L97 HydrophobicContact CZ-CD1 4.17Å; F44-I114 HydrophobicContact CE1-CB 4.15Å; F44-I114 HydrophobicContact CE1-CG2 3.68Å; F44-I114 HydrophobicContact CE2-CD1 3.83Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.76Å; F44-I114 HydrophobicContact CZ-CD1 3.64Å; F44-I114 HydrophobicContact CZ-CG1 4.28Å; F44-I114 HydrophobicContact CZ-CG2 3.62Å; F44-L116 HydrophobicContact CD1-CD2 4.27Å; F44-L116 HydrophobicContact CE1-CD2 3.98Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.72Å; F44-L119 HydrophobicContact CE1-CD2 4.48Å; F44-L119 HydrophobicContact CG-CD2 3.97Å
45Q93.9Very high94Very high51 Ų5165.2 Ų65.224%0.23831%0.307CS..Hα-helixtrans-60-43178.1-72179.547.600112.2Q41 A42 C48 R49 F88 L116Q41-Q45 WeakPolarHBondContact O-CG 3.43Å; Q41-Q45 PolarHBondContact O-N 2.85Å; Q41-Q45 VanDerWaalsContact O-N 3.07Å; A42-Q45 PolarHBondContact O-N 3.13Å; Q45-C48 PolarHBondContact O-N 3.39Å; Q45-R49 WeakPolarHBondContact O-CG 3.3Å; Q45-R49 PolarHBondContact O-N 3.46Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; Q45-F88 HydrophobicContact CG-CE1 4.46Å; Q45-L116 HydrophobicContact CG-CD2 3.92Å
46N93.2Very high94Very high81 Ų8160 Ų6043%0.43329%0.289SS..Hα-helixtrans-65.7-43.1176.7-70.2-19.2000111.7A42 R43 F44 C48 R49 D50A42-N46 WeakPolarHBondContact O-CB 3.12Å; A42-N46 VanDerWaalsContact O-CG 3.25Å; A42-N46 PolarHBondContact O-N 3.03Å; A42-N46 PolarHBondContact O-ND2 3.11Å; R43-N46 PolarHBondContact O-N 3.43Å; F44-N46 VanDerWaalsContact C-N 3.33Å; F44-N46 PolarHBondContact O-N 2.93Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 2.96Å; N46-R49 CarbonylContact O-C 3.46Å; N46-R49 WeakPolarHBondContact O-CB 3.24Å; N46-R49 PolarHBondContact O-N 2.96Å; N46-R49 VanDerWaalsContact O-N 3.12Å; N46-D50 VanDerWaalsContact O-CG 3.28Å; N46-D50 PolarHBondContact O-N 3.43Å
47A92.1Very high94Very high16 Ų1655.7 Ų55.713%0.13226%0.261CS..Hα-helixtrans-61.3-43.2177.200000111.6R43 F44 R49 D50 G51 R52R43-A47 VanDerWaalsContact O-CB 3.26Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.96Å; F44-A47 PolarHBondContact O-N 3.19Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.06Å; A47-D50 CarbonylContact O-C 3.55Å; A47-D50 WeakPolarHBondContact O-CA 3.35Å; A47-D50 WeakPolarHBondContact O-CB 3.24Å; A47-D50 PolarHBondContact O-N 3.08Å; A47-D50 VanDerWaalsContact O-N 3.07Å; A47-G51 PolarHBondContact O-N 2.97Å; A47-R52 CarbonylContact C-O 3.59Å; A47-R52 VanDerWaalsContact CB-O 3.27Å; A47-R52 WeakPolarHBondContact CB-O 3.44Å; A47-R52 PolarHBondContact O-N 3.12Å
48C92.3Very high93.9Very high0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-58.2-42.5173.3-73.90000112F44 Q45 N46 D50 G51 P81 V86 F88F44-C48 VanDerWaalsContact CE2-SG 3.55Å; F44-C48 VanDerWaalsContact CZ-SG 3.59Å; F44-C48 PolarHBondContact O-N 2.96Å; F44-C48 PolarHBondContact O-SG 3.11Å; F44-C48 VanDerWaalsContact O-SG 3.42Å; Q45-C48 PolarHBondContact O-N 3.39Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 2.96Å; C48-D50 VanDerWaalsContact C-N 3.32Å; C48-G51 PolarHBondContact O-N 3.24Å; C48-G51 VanDerWaalsContact O-N 3.14Å; C48-P81 WeakPolarHBondContact O-CG 3.42Å; C48-V86 HydrophobicContact CB-CG1 4.14Å; C48-F88 HydrophobicContact CB-CZ 3.79Å
49R89.8Confident93.5Very high125 Ų12551.2 Ų51.247%0.47226%0.259SS..Hα-helixtrans-69-28174.5-68.6173.2-174.9149.62.2113.4Q45 N46 A47 G51 P81 F88Q45-R49 WeakPolarHBondContact O-CG 3.3Å; Q45-R49 PolarHBondContact O-N 3.46Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; N46-R49 CarbonylContact O-C 3.46Å; N46-R49 WeakPolarHBondContact O-CB 3.24Å; N46-R49 PolarHBondContact O-N 2.96Å; N46-R49 VanDerWaalsContact O-N 3.12Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.06Å; R49-G51 PolarHBondContact O-N 2.93Å; R49-P81 WeakPolarHBondContact O-CD 3.1Å; R49-F88 HydrophobicContact CG-CE2 3.99Å; R49-F88 HydrophobicContact CG-CZ 4.25Å
50D89.3Confident93.3Very high97 Ų9751.3 Ų51.352%0.51926%0.263SS..THydrogen-bonded Turntrans-78.7-5172.9-68.5-17000112.4N46 A47 C48N46-D50 VanDerWaalsContact O-CG 3.28Å; N46-D50 PolarHBondContact O-N 3.43Å; A47-D50 CarbonylContact O-C 3.55Å; A47-D50 WeakPolarHBondContact O-CA 3.35Å; A47-D50 WeakPolarHBondContact O-CB 3.24Å; A47-D50 PolarHBondContact O-N 3.08Å; A47-D50 VanDerWaalsContact O-N 3.07Å; C48-D50 VanDerWaalsContact C-N 3.32Å
51G88.5Confident93.1Very high0 Ų051.8 Ų51.80%028%0.28CS..THydrogen-bonded Turntrans83.820.8176.900000115.1A47 C48 R49 F68A47-G51 PolarHBondContact O-N 2.97Å; C48-G51 PolarHBondContact O-N 3.24Å; C48-G51 VanDerWaalsContact O-N 3.14Å; R49-G51 PolarHBondContact O-N 2.93Å; G51-F68 PolarHBondContact O-N 3.41Å
52R91.3Very high92.9Very high161 Ų16151.2 Ų51.261%0.60828%0.28SS*.EExtended strand (participates in β ladder)trans-142.4148.7177.961-178.5177.4171.3-0.9112.9A47 L66A47-R52 CarbonylContact C-O 3.59Å; A47-R52 VanDerWaalsContact CB-O 3.27Å; A47-R52 WeakPolarHBondContact CB-O 3.44Å; A47-R52 PolarHBondContact O-N 3.12Å; R52-L66 CarbonylContact C-O 3.53Å; R52-L66 VanDerWaalsContact CA-O 3.29Å; R52-L66 WeakPolarHBondContact CA-O 3.34Å
53S94Very high92.8Very high6 Ų653.9 Ų53.94%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-157.3168.3170.7-159.30000111.6F44 L66F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; S53-L66 PolarHBondContact N-O 2.8Å; S53-L66 PolarHBondContact O-N 2.82Å
54E94.5Very high92.8Very high99 Ų9949.9 Ų49.946%0.46327%0.273SS..EExtended strand (participates in β ladder)trans-126122.4177.3-66.5-179.3173.200109.4Y29 T30 L64Y29-E54 WeakPolarHBondContact CD2-O 3.39Å; T30-E54 PolarHBondContact N-O 3.38Å; T30-E54 VanDerWaalsContact N-O 3.11Å; T30-E54 PolarHBondContact OG1-O 3.47Å; E54-L64 WeakPolarHBondContact CA-O 3.41Å
55V96.3Very high92.7Very high0 Ų053.9 Ų53.90%030%0.301CS..EExtended strand (participates in β ladder)trans-129.9152.7-177.9-56.90000110.3K28 N63 L64 L66 W110 I114K28-V55 CarbonylContact O-C 3.45Å; K28-V55 WeakPolarHBondContact O-CA 3.36Å; V55-N63 CarbonylContact O-C 2.95Å; V55-N63 WeakPolarHBondContact O-CA 3.44Å; V55-L64 HydrophobicContact CG2-CB 4.27Å; V55-L64 PolarHBondContact N-O 3.07Å; V55-L64 PolarHBondContact O-N 3.3Å; V55-L66 HydrophobicContact CB-CD1 4.43Å; V55-L66 HydrophobicContact CG1-CD1 3.94Å; V55-L66 HydrophobicContact CG2-CD1 3.6Å; V55-L66 HydrophobicContact CG2-CD2 4.34Å; V55-L66 HydrophobicContact CG2-CG 3.94Å; V55-W110 HydrophobicContact CG2-CZ2 3.88Å; V55-I114 HydrophobicContact CG1-CD1 3.69Å
56A96.6Very high92.6Very high9 Ų951.5 Ų51.57%0.07429%0.29CS..EExtended strand (participates in β ladder)trans-124.6136.3171.700000111.3I27 K28 T30 V58 T62 N63I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.44Å; K28-A56 PolarHBondContact N-O 3.41Å; K28-A56 PolarHBondContact O-N 2.85Å; T30-A56 HydrophobicContact CG2-CB 3.36Å; A56-V58 PolarHBondContact O-N 2.82Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.31Å; A56-N63 VanDerWaalsContact CB-OD1 3.25Å; A56-N63 WeakPolarHBondContact CB-OD1 3.44Å
57F95.6Very high92.5Very high0 Ų053.1 Ų53.10%030%0.295CS..EExtended strand (participates in β ladder)trans-71.9118164.2-74.4-86.6000109.3L21 C25 I27 A59 T60 G61 T62 L64 W110 G123L21-F57 HydrophobicContact CB-CZ 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.5Å; L21-F57 HydrophobicContact CD2-CB 3.99Å; L21-F57 HydrophobicContact CD2-CD1 3.84Å; L21-F57 HydrophobicContact CD2-CD2 3.67Å; L21-F57 HydrophobicContact CD2-CE1 4.16Å; L21-F57 HydrophobicContact CD2-CE2 4.01Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.24Å; C25-F57 HydrophobicContact CB-CD1 3.61Å; C25-F57 HydrophobicContact CB-CE1 3.98Å; I27-F57 HydrophobicContact CG2-CD1 3.78Å; I27-F57 HydrophobicContact CG2-CE1 3.94Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; F57-A59 PolarHBondContact O-N 3.42Å; F57-T60 WeakPolarHBondContact CB-OG1 3.1Å; F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.24Å; F57-G61 PolarHBondContact O-N 2.68Å; F57-T62 PolarHBondContact N-O 2.84Å; F57-T62 PolarHBondContact O-N 3.36Å; F57-L64 HydrophobicContact CD2-CD1 4.25Å; F57-L64 HydrophobicContact CE2-CD1 3.61Å; F57-L64 HydrophobicContact CE2-CG 4.4Å; F57-W110 AromaticContact CE2-CD1 3.9Å; F57-W110 AromaticContact CE2-NE1 3.68Å; F57-W110 AromaticContact CZ-CD1 3.79Å; F57-W110 AromaticContact CZ-NE1 3.5Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å
58V93.9Very high92.3Very high62 Ų6252.3 Ų52.338%0.37629%0.288SS..THydrogen-bonded Turntrans-66.2-41.8-175177.50000111.1E26 K28 A56 T60E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.21Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.87Å; E26-V58 PolarHBondContact O-N 2.93Å; K28-V58 HydrophobicContact CB-CG2 4.38Å; K28-V58 HydrophobicContact CD-CG2 3.87Å; K28-V58 HydrophobicContact CG-CG2 3.71Å; A56-V58 PolarHBondContact O-N 2.82Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 3.01Å
59A88.2Confident91.7Very high84 Ų8453.9 Ų53.969%0.69430%0.295SS*.THydrogen-bonded Turntrans-64.6-35.4-176.400000113.3F57F57-A59 PolarHBondContact O-N 3.42Å
60T90.4Very high90.6Very high57 Ų5750 Ų5035%0.3529%0.286SS..THydrogen-bonded Turntrans-105.9-14.2-176.761.70000113.3K20 L21 F57 V58 T62K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.35Å; L21-T60 HydrophobicContact CD2-CG2 4.02Å; F57-T60 WeakPolarHBondContact CB-OG1 3.1Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 3.01Å; T60-T62 WeakPolarHBondContact CB-OG1 3.39Å; T60-T62 PolarHBondContact O-N 3.02Å; T60-T62 WeakPolarHBondContact OG1-CB 3.33Å; T60-T62 PolarHBondContact OG1-N 2.85Å; T60-T62 PolarHBondContact OG1-OG1 2.74Å
61G91.6Very high89.2Confident49 Ų4946.3 Ų46.351%0.50527%0.269SS..  trans69.212.2-170.500000113.8F57 N63F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.24Å; F57-G61 PolarHBondContact O-N 2.68Å; G61-N63 PolarHBondContact O-N 2.87Å
62T92.9Very high87.6Confident30 Ų3051.9 Ų51.918%0.18430%0.299CS..  trans-74.8115.6-177.1-52.40000110.1F17 L21 A56 F57 T60 L64F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.16Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.31Å; F57-T62 PolarHBondContact N-O 2.84Å; F57-T62 PolarHBondContact O-N 3.36Å; T60-T62 WeakPolarHBondContact CB-OG1 3.39Å; T60-T62 PolarHBondContact O-N 3.02Å; T60-T62 WeakPolarHBondContact OG1-CB 3.33Å; T60-T62 PolarHBondContact OG1-N 2.85Å; T60-T62 PolarHBondContact OG1-OG1 2.74Å; T62-L64 HydrophobicContact CG2-CD2 4.18Å
63N94.4Very high85.9Confident107 Ų10748.3 Ų48.357%0.57229%0.291SS*.EExtended strand (participates in β ladder)trans-86.3135171.7-62.8-66.9000110.6V55 A56 G61V55-N63 CarbonylContact O-C 2.95Å; V55-N63 WeakPolarHBondContact O-CA 3.44Å; A56-N63 VanDerWaalsContact CB-OD1 3.25Å; A56-N63 WeakPolarHBondContact CB-OD1 3.44Å; G61-N63 PolarHBondContact O-N 2.87Å
64L93.7Very high83.9Confident13 Ų1355.6 Ų55.67%0.06833%0.325CS..EExtended strand (participates in β ladder)trans-125.4132174.2-62.7-176.4000110E54 V55 F57 T62 L66 M101 L103E54-L64 WeakPolarHBondContact CA-O 3.41Å; V55-L64 HydrophobicContact CG2-CB 4.27Å; V55-L64 PolarHBondContact N-O 3.07Å; V55-L64 PolarHBondContact O-N 3.3Å; F57-L64 HydrophobicContact CD2-CD1 4.25Å; F57-L64 HydrophobicContact CE2-CD1 3.61Å; F57-L64 HydrophobicContact CE2-CG 4.4Å; T62-L64 HydrophobicContact CG2-CD2 4.18Å; L64-L66 HydrophobicContact CB-CD2 3.99Å; L64-L66 HydrophobicContact CD1-CD2 4.43Å; L64-M101 HydrophobicContact CD1-SD 4.49Å; L64-L103 HydrophobicContact CD2-CD1 4.29Å; L64-L103 HydrophobicContact CD2-CD2 4.38Å
65S93.8Very high81.7Confident84 Ų8453.2 Ų53.259%0.58733%0.326SS*.EExtended strand (participates in β ladder)trans-89.6118.1163.5-168.70000108M101S65-M101 WeakPolarHBondContact O-CE 3.33Å
66L92.9Very high79.4Confident1 Ų161.7 Ų61.71%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-100.4137.3-176.3-56.6-178.6000109.9R52 S53 V55 L64 F68 A99 M101 W110R52-L66 CarbonylContact C-O 3.53Å; R52-L66 VanDerWaalsContact CA-O 3.29Å; R52-L66 WeakPolarHBondContact CA-O 3.34Å; S53-L66 PolarHBondContact N-O 2.8Å; S53-L66 PolarHBondContact O-N 2.82Å; V55-L66 HydrophobicContact CB-CD1 4.43Å; V55-L66 HydrophobicContact CG1-CD1 3.94Å; V55-L66 HydrophobicContact CG2-CD1 3.6Å; V55-L66 HydrophobicContact CG2-CD2 4.34Å; V55-L66 HydrophobicContact CG2-CG 3.94Å; L64-L66 HydrophobicContact CB-CD2 3.99Å; L64-L66 HydrophobicContact CD1-CD2 4.43Å; L66-F68 HydrophobicContact CB-CE1 3.81Å; L66-F68 HydrophobicContact CB-CZ 3.97Å; L66-F68 HydrophobicContact CD1-CE1 4.08Å; L66-F68 HydrophobicContact CD1-CZ 4.26Å; L66-A99 HydrophobicContact CB-CB 4.01Å; L66-A99 HydrophobicContact CD2-CB 4.08Å; L66-A99 HydrophobicContact CG-CB 4.46Å; L66-M101 HydrophobicContact CD2-SD 4.41Å; L66-W110 HydrophobicContact CD1-CD2 3.7Å; L66-W110 HydrophobicContact CD1-CE3 3.48Å; L66-W110 VanDerWaalsContact CD1-CE3 3.48Å; L66-W110 HydrophobicContact CD1-CG 4.49Å; L66-W110 HydrophobicContact CD1-CH2 3.72Å; L66-W110 HydrophobicContact CD1-CZ2 3.91Å; L66-W110 HydrophobicContact CD1-CZ3 3.5Å; L66-W110 HydrophobicContact CD2-CB 4.1Å; L66-W110 HydrophobicContact CD2-CD2 3.92Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 3.84Å; L66-W110 HydrophobicContact CG-CD2 4.49Å
67Q90.4Very high77.4Confident115 Ų11568.7 Ų68.754%0.53740%0.403SS..EExtended strand (participates in β ladder)trans-122.7127.1171.6-169.7171.615.900108.7F69 A99Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.41Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 2.87Å; Q67-A99 WeakPolarHBondContact O-CB 3.44Å
68F86.8Confident75.5Confident0 Ų080.7 Ų80.70%045%0.448CS..  trans-96.433.2-172.3-53.7-51000112G51 L66 P81 Y85 V86 L97 K98 A99G51-F68 PolarHBondContact O-N 3.41Å; L66-F68 HydrophobicContact CB-CE1 3.81Å; L66-F68 HydrophobicContact CB-CZ 3.97Å; L66-F68 HydrophobicContact CD1-CE1 4.08Å; L66-F68 HydrophobicContact CD1-CZ 4.26Å; F68-P81 HydrophobicContact CB-CB 3.9Å; F68-Y85 WeakPolarHBondContact O-CB 3.44Å; F68-Y85 WeakPolarHBondContact O-CD2 3.5Å; F68-V86 HydrophobicContact CB-CG2 3.75Å; F68-V86 HydrophobicContact CD1-CG2 4.33Å; F68-V86 HydrophobicContact CD2-CG2 3.58Å; F68-V86 HydrophobicContact CE2-CG2 4.31Å; F68-V86 HydrophobicContact CG-CG2 3.63Å; F68-L97 HydrophobicContact CE1-CB 4.05Å; F68-L97 HydrophobicContact CE1-CD1 4.46Å; F68-L97 HydrophobicContact CE1-CD2 4.05Å; F68-L97 HydrophobicContact CE1-CG 4.41Å; F68-L97 HydrophobicContact CE2-CD2 4.09Å; F68-L97 HydrophobicContact CZ-CB 4.4Å; F68-L97 HydrophobicContact CZ-CD1 4.01Å; F68-L97 HydrophobicContact CZ-CD2 3.79Å; F68-L97 HydrophobicContact CZ-CG 4.29Å; F68-K98 WeakPolarHBondContact CD1-O 3.28Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.03Å
69F80Confident74.1Confident32 Ų3281.4 Ų81.414%0.1445%0.447CS..SBendtrans-123150.5179-60.5-72.1000110.6Q67 A71 Q79 P81Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.41Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 2.87Å; F69-A71 PolarHBondContact O-N 2.93Å; F69-Q79 HydrophobicContact CD1-CB 4.26Å; F69-Q79 HydrophobicContact CE1-CB 3.77Å; F69-Q79 WeakPolarHBondContact CE1-O 3.15Å; F69-Q79 WeakPolarHBondContact CZ-O 3.44Å; F69-P81 HydrophobicContact CE1-CB 4.29Å
70P66.6Low73.3Confident44 Ų4483.1 Ų83.129%0.28645%0.449SS..  trans-57.1131.4165.6-15.725.9000109.8N72 L73 Y85P70-N72 PolarHBondContact O-N 3.03Å; P70-L73 HydrophobicContact CB-CD1 3.9Å; P70-L73 HydrophobicContact CG-CD1 3.6Å; P70-L73 PolarHBondContact O-N 2.77Å; P70-L73 VanDerWaalsContact O-N 3.17Å; P70-Y85 HydrophobicContact CG-CE2 4.16Å
71A60Low72.8Confident20 Ų2081 Ų8117%0.16544%0.437CS..THydrogen-bonded Turntrans-62.5-11.3-173.600000115.2F69 L73 H74F69-A71 PolarHBondContact O-N 2.93Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-H74 PolarHBondContact O-CE1 3.14Å; A71-H74 PolarHBondContact O-ND1 3.49Å
72N55.8Low72.5Confident116 Ų11681.3 Ų81.362%0.6243%0.431SS*.THydrogen-bonded Turntrans-88-5.8-175.5-50.5-0.5000111.8P70 H74P70-N72 PolarHBondContact O-N 3.03Å; N72-H74 PolarHBondContact O-N 3.41Å
73L55.3Low72.2Confident86 Ų8687 Ų8745%0.4545%0.449SS..  trans-103.769.2-176.1-68.6159.9000110.4P70 A71 G75P70-L73 HydrophobicContact CB-CD1 3.9Å; P70-L73 HydrophobicContact CG-CD1 3.6Å; P70-L73 PolarHBondContact O-N 2.77Å; P70-L73 VanDerWaalsContact O-N 3.17Å; A71-L73 VanDerWaalsContact C-N 3.33Å; L73-G75 VanDerWaalsContact C-N 3.25Å; L73-G75 PolarHBondContact O-N 2.96Å
74H51.1Low71.9Confident160 Ų16087.5 Ų87.574%0.74145%0.448SS*.  trans-87.965.3167.5-72.970.1000109.5A71 N72A71-H74 PolarHBondContact O-CE1 3.14Å; A71-H74 PolarHBondContact O-ND1 3.49Å; N72-H74 PolarHBondContact O-N 3.41Å
75G49Very low71.8Confident48 Ų4888.6 Ų88.650%0.49545%0.451SS..  trans-119.9134.6177.900000111.3L73 Q77L73-G75 VanDerWaalsContact C-N 3.25Å; L73-G75 PolarHBondContact O-N 2.96Å; G75-Q77 PolarHBondContact O-N 3.11Å
76D48.1Very low71.8Confident179 Ų17985 Ų8596%0.95743%0.426SS*.SBendtrans-61.917.1-175.5-159.326.7000115.7
77Q54.6Low71.9Confident155 Ų15586.7 Ų86.772%0.72444%0.435SS*.SBendtrans-96.4130.5174-70-173.8300109.3G75 Q79G75-Q77 PolarHBondContact O-N 3.11Å; Q77-Q79 HydrophobicContact CB-CG 4.5Å; Q77-Q79 PolarHBondContact O-N 3.27Å
78R56.3Low72Confident253 Ų25383.9 Ų83.996%0.95542%0.421SS*.  trans-60.483.8167.1-73.7-176.9179.7-177.4-0.4109.2
79Q64Low72.3Confident76 Ų7690.6 Ų90.636%0.35545%0.452SS..PPolyproline II helixtrans-76.6140173.3-72.3-174.30.900108.6F69 Q77F69-Q79 HydrophobicContact CD1-CB 4.26Å; F69-Q79 HydrophobicContact CE1-CB 3.77Å; F69-Q79 WeakPolarHBondContact CE1-O 3.15Å; F69-Q79 WeakPolarHBondContact CZ-O 3.44Å; Q77-Q79 HydrophobicContact CB-CG 4.5Å; Q77-Q79 PolarHBondContact O-N 3.27Å
80V71.6Confident72.9Confident120 Ų12097.2 Ų97.273%0.72748%0.476SS*.PPolyproline II helixtrans-88.5130.6172.3-178.10000106.6
81P79.8Confident74.3Confident14 Ų1498.3 Ų98.39%0.09148%0.478CS..PPolyproline II helixtrans-59140.9177.527.2-35.1000110C48 R49 F68 F69 V86C48-P81 WeakPolarHBondContact O-CG 3.42Å; R49-P81 WeakPolarHBondContact O-CD 3.1Å; F68-P81 HydrophobicContact CB-CB 3.9Å; F69-P81 HydrophobicContact CE1-CB 4.29Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.82Å; P81-V86 HydrophobicContact CG-CB 4.33Å; P81-V86 HydrophobicContact CG-CG2 3.84Å
82S84.7Confident75.9Confident55 Ų55103.9 Ų103.939%0.38551%0.51SS..PPolyproline II helixtrans-69.4160.8177.675.30000110.7E84 Y85 V86S82-E84 PolarHBondContact O-N 3.44Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 2.9Å; S82-Y85 PolarHBondContact O-N 2.91Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.34Å; S82-V86 PolarHBondContact O-N 3.43Å
83R86.8Confident77.7Confident148 Ų148100.2 Ų100.256%0.55850%0.499SS*.THydrogen-bonded Turntrans-59.1-21174.6-72.9-178.661.3152.86.1113.5Y85 V86 E89R83-Y85 VanDerWaalsContact C-N 3.32Å; R83-V86 WeakPolarHBondContact CA-O 3.44Å; R83-E89 IonicContact CZ-OE2 3.44Å; R83-E89 IonicContact NH1-OE1 3.98Å; R83-E89 IonicContact NH1-OE2 3.81Å; R83-E89 PolarHBondContact NH1-OE2 3.48Å; R83-E89 IonicContact NH2-OE2 3.09Å; R83-E89 PolarHBondContact NH2-OE2 3.36Å
84E88.9Confident79.6Confident119 Ų11998 Ų9856%0.55649%0.486SS*.THydrogen-bonded Turntrans-68.6-33.5175.6-166.6-163.9153.900112S82 K98S82-E84 PolarHBondContact O-N 3.44Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 2.9Å; E84-K98 IonicContact OE1-NZ 3.48Å; E84-K98 PolarHBondContact OE1-NZ 2.85Å
85Y90.9Very high81.8Confident35 Ų3590.4 Ų90.414%0.13745%0.451CS..THydrogen-bonded Turntrans-93.2-31.8-179-61.8-71.4000113F68 P70 S82 R83 L97 K98 P100F68-Y85 WeakPolarHBondContact O-CB 3.44Å; F68-Y85 WeakPolarHBondContact O-CD2 3.5Å; P70-Y85 HydrophobicContact CG-CE2 4.16Å; S82-Y85 PolarHBondContact O-N 2.91Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.34Å; R83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.31Å; Y85-K98 HydrophobicContact CD1-CB 4.33Å; Y85-K98 HydrophobicContact CD1-CD 4.36Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.31Å; Y85-K98 WeakPolarHBondContact CD1-O 3.39Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.84Å; Y85-P100 HydrophobicContact CE1-CG 3.97Å
86V94.1Very high84.1Confident10 Ų1090.3 Ų90.36%0.06144%0.436CS..EExtended strand (participates in β ladder)trans-136.7109.7-179.9-176.40000109.6C48 F68 P81 S82 R83 F88 V95 L97C48-V86 HydrophobicContact CB-CG1 4.14Å; F68-V86 HydrophobicContact CB-CG2 3.75Å; F68-V86 HydrophobicContact CD1-CG2 4.33Å; F68-V86 HydrophobicContact CD2-CG2 3.58Å; F68-V86 HydrophobicContact CE2-CG2 4.31Å; F68-V86 HydrophobicContact CG-CG2 3.63Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.82Å; P81-V86 HydrophobicContact CG-CB 4.33Å; P81-V86 HydrophobicContact CG-CG2 3.84Å; S82-V86 PolarHBondContact O-N 3.43Å; R83-V86 WeakPolarHBondContact CA-O 3.44Å; V86-F88 HydrophobicContact CG1-CD2 3.97Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4Å; V86-V95 HydrophobicContact CG1-CG2 3.93Å; V86-L97 HydrophobicContact CB-CD2 4.22Å; V86-L97 HydrophobicContact CG1-CD2 3.88Å; V86-L97 HydrophobicContact CG2-CD2 3.88Å
87D94.4Very high86.3Confident35 Ų3582 Ų8219%0.18739%0.392CS..EExtended strand (participates in β ladder)trans-122107.8-177.9-165.5-15000111.5E89 R90 V95 Y96D87-E89 PolarHBondContact OD1-N 3.47Å; D87-R90 HydrophobicContact CB-CB 4.42Å; D87-R90 PolarHBondContact OD1-N 3.23Å; D87-V95 WeakPolarHBondContact O-CA 3.47Å; D87-Y96 PolarHBondContact N-O 3.08Å; D87-Y96 PolarHBondContact O-N 3.32Å
88F93.7Very high88.3Confident57 Ų5776.3 Ų76.325%0.2536%0.364CS..SBendtrans-91.4-12.5173.7-66.6-83.6000113.2Q45 C48 R49 V86 V95 L116Q45-F88 HydrophobicContact CG-CE1 4.46Å; C48-F88 HydrophobicContact CB-CZ 3.79Å; R49-F88 HydrophobicContact CG-CE2 3.99Å; R49-F88 HydrophobicContact CG-CZ 4.25Å; V86-F88 HydrophobicContact CG1-CD2 3.97Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4Å; F88-V95 HydrophobicContact CD1-CB 3.78Å; F88-V95 HydrophobicContact CD1-CG2 3.7Å; F88-V95 HydrophobicContact CD2-CG2 4.34Å; F88-V95 HydrophobicContact CE1-CB 3.81Å; F88-V95 HydrophobicContact CE1-CG1 4.49Å; F88-V95 HydrophobicContact CE1-CG2 3.62Å; F88-V95 HydrophobicContact CE2-CG2 4.28Å; F88-V95 HydrophobicContact CG-CG2 4.08Å; F88-V95 HydrophobicContact CZ-CG2 3.93Å; F88-L116 HydrophobicContact CD1-CD1 4.31Å; F88-L116 HydrophobicContact CD1-CD2 4.38Å; F88-L116 HydrophobicContact CE1-CD2 4.09Å
89E92.9Very high90Very high140 Ų14064.3 Ų64.365%0.65432%0.319SS*.SBendtrans-95.2-19.2-173-67.4-176.1-172.200112.2R83 D87 E91R83-E89 IonicContact CZ-OE2 3.44Å; R83-E89 IonicContact NH1-OE1 3.98Å; R83-E89 IonicContact NH1-OE2 3.81Å; R83-E89 PolarHBondContact NH1-OE2 3.48Å; R83-E89 IonicContact NH2-OE2 3.09Å; R83-E89 PolarHBondContact NH2-OE2 3.36Å; D87-E89 PolarHBondContact OD1-N 3.47Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 3.42Å
90R93.2Very high91.4Very high171 Ų17161.5 Ų61.565%0.64531%0.308SS*.SBendtrans-57.9-40.1-179.3-177.7167.3177.6-177.41.3114D87 Y96D87-R90 HydrophobicContact CB-CB 4.42Å; D87-R90 PolarHBondContact OD1-N 3.23Å; R90-Y96 HydrophobicContact CB-CD2 3.78Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.47Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.8Å; R90-Y96 HydrophobicContact CG-CG 4.37Å
91E94.5Very high92.3Very high68 Ų6857.5 Ų57.532%0.31828%0.282SS..SBendtrans-150.1132.5177.9-166.2-179.9147.700110.4E89 G93 K94 Y96E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 3.42Å; E91-G93 PolarHBondContact O-N 3.4Å; E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.36Å; E91-K94 PolarHBondContact O-N 2.85Å; E91-K94 WeakPolarHBondContact OE1-CD 3.4Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 2.74Å; E91-K94 PolarHBondContact OE1-NZ 3.03Å; E91-K94 IonicContact OE2-NZ 3.31Å; E91-Y96 HydrophobicContact CB-CE2 3.77Å; E91-Y96 PolarHBondContact OE2-OH 2.8Å
92T93.6Very high92.8Very high137 Ų13758.9 Ų58.984%0.8429%0.288SS*.THydrogen-bonded Turntrans-64.6130.2-177.249.10000111.2K94T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.42Å
93G93.7Very high93.1Very high39 Ų3957.4 Ų57.440%0.40228%0.275SS..THydrogen-bonded Turntrans81.90.2-179.700000114.9E91 L116E91-G93 PolarHBondContact O-N 3.4Å; G93-L116 WeakPolarHBondContact O-CB 3.49Å; G93-L116 WeakPolarHBondContact O-CG 3.07Å; G93-L116 PolarHBondContact O-N 2.97Å
94K96.8Very high93.1Very high40 Ų4054.7 Ų54.717%0.17427%0.272CS..EExtended strand (participates in β ladder)trans-124159.3174.3-66.3176.9-174.8168.50111.3E91 T92 W113 I114E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.36Å; E91-K94 PolarHBondContact O-N 2.85Å; E91-K94 WeakPolarHBondContact OE1-CD 3.4Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 2.74Å; E91-K94 PolarHBondContact OE1-NZ 3.03Å; E91-K94 IonicContact OE2-NZ 3.31Å; T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.42Å; K94-W113 HydrophobicContact CD-CD2 4.05Å; K94-W113 HydrophobicContact CD-CE3 3.48Å; K94-W113 VanDerWaalsContact CD-CE3 3.48Å; K94-W113 HydrophobicContact CD-CZ3 3.76Å; K94-W113 VanDerWaalsContact CE-CZ3 3.48Å; K94-W113 HydrophobicContact CG-CE3 3.97Å; K94-W113 HydrophobicContact CG-CZ3 4.28Å; K94-I114 CarbonylContact C-O 3.58Å; K94-I114 VanDerWaalsContact CA-O 3.3Å; K94-I114 WeakPolarHBondContact CA-O 3.45Å
95V96.3Very high93Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-122.3127.9167.861.80000109F44 V86 D87 F88 L97 W113 I114 L116F44-V95 HydrophobicContact CE1-CG1 3.6Å; F44-V95 HydrophobicContact CZ-CG1 3.72Å; V86-V95 HydrophobicContact CG1-CG2 3.93Å; D87-V95 WeakPolarHBondContact O-CA 3.47Å; F88-V95 HydrophobicContact CD1-CB 3.78Å; F88-V95 HydrophobicContact CD1-CG2 3.7Å; F88-V95 HydrophobicContact CD2-CG2 4.34Å; F88-V95 HydrophobicContact CE1-CB 3.81Å; F88-V95 HydrophobicContact CE1-CG1 4.49Å; F88-V95 HydrophobicContact CE1-CG2 3.62Å; F88-V95 HydrophobicContact CE2-CG2 4.28Å; F88-V95 HydrophobicContact CG-CG2 4.08Å; F88-V95 HydrophobicContact CZ-CG2 3.93Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.48Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.7Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; V95-W113 CarbonylContact O-C 3.59Å; V95-W113 WeakPolarHBondContact O-CA 3.38Å; V95-I114 HydrophobicContact CG1-CB 4.23Å; V95-I114 PolarHBondContact N-O 3.44Å; V95-I114 PolarHBondContact O-N 3.48Å; V95-L116 HydrophobicContact CB-CD2 4.08Å; V95-L116 HydrophobicContact CG1-CD2 3.88Å
96Y96.6Very high93.1Very high45 Ų4547.9 Ų47.918%0.17625%0.245CC..EExtended strand (participates in β ladder)trans-92.6133.9171.4-72.8-103.6000109D87 R90 E91 G112 W113D87-Y96 PolarHBondContact N-O 3.08Å; D87-Y96 PolarHBondContact O-N 3.32Å; R90-Y96 HydrophobicContact CB-CD2 3.78Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.47Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.8Å; R90-Y96 HydrophobicContact CG-CG 4.37Å; E91-Y96 HydrophobicContact CB-CE2 3.77Å; E91-Y96 PolarHBondContact OE2-OH 2.8Å; Y96-G112 WeakPolarHBondContact CA-O 3.31Å; Y96-W113 HydrophobicContact CD1-CB 3.8Å; Y96-W113 HydrophobicContact CD2-CB 4.27Å; Y96-W113 HydrophobicContact CE1-CB 3.85Å; Y96-W113 HydrophobicContact CE1-CG 4.17Å; Y96-W113 HydrophobicContact CE2-CB 4.31Å; Y96-W113 HydrophobicContact CG-CB 4.02Å
97L95.6Very high93Very high6 Ų647.4 Ų47.43%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-131.8136.5-168.7-65.3173.5000109.1F44 F68 Y85 V86 V95 W110 R111 G112 I114F44-L97 HydrophobicContact CZ-CD1 4.17Å; F68-L97 HydrophobicContact CE1-CB 4.05Å; F68-L97 HydrophobicContact CE1-CD1 4.46Å; F68-L97 HydrophobicContact CE1-CD2 4.05Å; F68-L97 HydrophobicContact CE1-CG 4.41Å; F68-L97 HydrophobicContact CE2-CD2 4.09Å; F68-L97 HydrophobicContact CZ-CB 4.4Å; F68-L97 HydrophobicContact CZ-CD1 4.01Å; F68-L97 HydrophobicContact CZ-CD2 3.79Å; F68-L97 HydrophobicContact CZ-CG 4.29Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.31Å; V86-L97 HydrophobicContact CB-CD2 4.22Å; V86-L97 HydrophobicContact CG1-CD2 3.88Å; V86-L97 HydrophobicContact CG2-CD2 3.88Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.48Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.7Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.45Å; L97-W110 HydrophobicContact CD1-CZ3 4.47Å; L97-R111 WeakPolarHBondContact O-CA 3.31Å; L97-G112 PolarHBondContact N-O 2.75Å; L97-G112 PolarHBondContact O-N 2.89Å; L97-I114 HydrophobicContact CD1-CD1 4.18Å
98K95Very high93Very high34 Ų3445.8 Ų45.815%0.14823%0.233CC..EExtended strand (participates in β ladder)trans-131.4129.1174.8177.3-173.2176.5-173.40107.9F68 E84 Y85 I109 W110 R111F68-K98 WeakPolarHBondContact CD1-O 3.28Å; E84-K98 IonicContact OE1-NZ 3.48Å; E84-K98 PolarHBondContact OE1-NZ 2.85Å; Y85-K98 HydrophobicContact CD1-CB 4.33Å; Y85-K98 HydrophobicContact CD1-CD 4.36Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.31Å; Y85-K98 WeakPolarHBondContact CD1-O 3.39Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.84Å; K98-I109 HydrophobicContact CD-CG2 4.33Å; K98-I109 HydrophobicContact CG-CG2 3.61Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.43Å; K98-R111 HydrophobicContact CG-CG 4.41Å
99A93.8Very high93.1Very high1 Ų144 Ų441%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-138.6109.9-177.400000110.7L66 Q67 F68 W110L66-A99 HydrophobicContact CB-CB 4.01Å; L66-A99 HydrophobicContact CD2-CB 4.08Å; L66-A99 HydrophobicContact CG-CB 4.46Å; Q67-A99 WeakPolarHBondContact O-CB 3.44Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.03Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.38Å; A99-W110 PolarHBondContact N-O 2.93Å; A99-W110 PolarHBondContact O-N 3.34Å
100P92.1Very high93.3Very high18 Ų1837.3 Ų37.312%0.11720%0.195CC..EExtended strand (participates in β ladder)trans-82.5126.9177.734.3-34.1000110.6Y85 I109 R131Y85-P100 HydrophobicContact CE1-CG 3.97Å; P100-I109 HydrophobicContact CB-CG1 4.48Å; P100-R131 PolarHBondContact O-NH1 2.87Å
101M90.2Very high93.4Very high36 Ų3633.4 Ų33.418%0.17718%0.18CC..EExtended strand (participates in β ladder)trans-144.9166.5-17770.2-168.8-36.200113.3L64 S65 L66 V108L64-M101 HydrophobicContact CD1-SD 4.49Å; S65-M101 WeakPolarHBondContact O-CE 3.33Å; L66-M101 HydrophobicContact CD2-SD 4.41Å; M101-V108 HydrophobicContact CG-CG2 3.75Å; M101-V108 PolarHBondContact N-O 3.08Å; M101-V108 PolarHBondContact O-N 2.67Å
102I90.4Very high93.5Very high42 Ų4230.6 Ų30.622%0.21517%0.169CC..EExtended strand (participates in β ladder)trans-107.4112.8170.7-59.1172.9000106.7R3 V4 V106 E135R3-I102 HydrophobicContact CB-CD1 4.43Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.26Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; I102-E135 HydrophobicContact CD1-CG 4.33Å
103L90.8Very high93.7Very high24 Ų2426.7 Ų26.713%0.12614%0.139CC..EExtended strand (participates in β ladder)trans-114.4122.5-178.4-171.861.7000108.7F17 F18 L64 G105 V106 V108 L125F17-L103 HydrophobicContact CE1-CD2 3.63Å; F17-L103 HydrophobicContact CE1-CG 4.09Å; F17-L103 HydrophobicContact CZ-CD2 3.97Å; F18-L103 HydrophobicContact CE1-CB 4.23Å; F18-L103 HydrophobicContact CE1-CD2 4.02Å; F18-L103 HydrophobicContact CE1-CG 4.25Å; F18-L103 HydrophobicContact CZ-CB 4.44Å; F18-L103 HydrophobicContact CZ-CG 4.45Å; F18-L103 WeakPolarHBondContact CZ-O 3.16Å; L64-L103 HydrophobicContact CD2-CD1 4.29Å; L64-L103 HydrophobicContact CD2-CD2 4.38Å; L103-G105 PolarHBondContact O-N 2.67Å; L103-V106 PolarHBondContact N-O 2.69Å; L103-V106 PolarHBondContact O-N 2.86Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; L103-L125 HydrophobicContact CD2-CD1 3.79Å
104N88.4Confident93.9Very high91 Ų9124.9 Ų24.949%0.48712%0.12SC..THydrogen-bonded Turntrans49.133.4-177-61-23.9000114.1K11 F18K11-N104 PolarHBondContact NZ-O 2.69Å; F18-N104 HydrophobicContact CZ-CB 4.29Å
105G87.1Confident94Very high12 Ų1224.6 Ų24.612%0.12412%0.12CC..THydrogen-bonded Turntrans79.910.4-178.100000115.5V4 V5 L103V4-G105 CarbonylContact C-O 3.57Å; V4-G105 VanDerWaalsContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CB-O 3.46Å; V5-G105 WeakPolarHBondContact CG2-O 2.99Å; V5-G105 PolarHBondContact N-O 2.64Å; L103-G105 PolarHBondContact O-N 2.67Å
106V92.1Very high93.9Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-110.1127.5175.8-177.60000109.2V5 Q8 K11 F12 F18 I102 L103 V108 Y127V5-V106 HydrophobicContact CG2-CG2 4.22Å; Q8-V106 HydrophobicContact CB-CG1 4.29Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.76Å; K11-V106 HydrophobicContact CG-CG2 4.04Å; F12-V106 HydrophobicContact CB-CG1 4.01Å; F12-V106 HydrophobicContact CD2-CG1 4.14Å; F18-V106 HydrophobicContact CE1-CB 4.36Å; F18-V106 HydrophobicContact CE2-CB 4.3Å; F18-V106 HydrophobicContact CE2-CG2 3.84Å; F18-V106 HydrophobicContact CZ-CB 3.82Å; F18-V106 HydrophobicContact CZ-CG1 4.45Å; F18-V106 HydrophobicContact CZ-CG2 3.85Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; L103-V106 PolarHBondContact N-O 2.69Å; L103-V106 PolarHBondContact O-N 2.86Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.8Å; V106-Y127 HydrophobicContact CG1-CD2 3.96Å; V106-Y127 HydrophobicContact CG1-CE2 3.97Å
107C92.8Very high93.9Very high0 Ų030.6 Ų30.60%015%0.151CC..EExtended strand (participates in β ladder)trans-69.6117.9171-66.60000110Q8 D128 R131 A132Q8-C107 PolarHBondContact OE1-SG 3.06Å; C107-D128 HydrophobicContact CB-CB 4.1Å; C107-D128 PolarHBondContact O-N 2.84Å; C107-D128 VanDerWaalsContact O-N 3.08Å; C107-R131 HydrophobicContact CB-CB 4.33Å; C107-R131 HydrophobicContact CB-CG 4.39Å; C107-A132 HydrophobicContact CB-CB 4.02Å
108V94.4Very high93.9Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-135.1153.2-179-620000110.8F12 F18 M101 L103 V106 L125 E126F12-V108 HydrophobicContact CD2-CG1 3.7Å; F12-V108 HydrophobicContact CE2-CG1 3.65Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; M101-V108 HydrophobicContact CG-CG2 3.75Å; M101-V108 PolarHBondContact N-O 3.08Å; M101-V108 PolarHBondContact O-N 2.67Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.8Å; V108-L125 HydrophobicContact CG2-CD2 4.17Å; V108-E126 CarbonylContact C-O 3.47Å; V108-E126 WeakPolarHBondContact CA-O 3.42Å; V108-E126 WeakPolarHBondContact CB-O 3.34Å
109I95.4Very high94Very high19 Ų1936.6 Ų36.610%0.09717%0.172CC..EExtended strand (participates in β ladder)trans-109.8118.1169.1-54.5179000107.5K98 P100 R111 E126 D128K98-I109 HydrophobicContact CD-CG2 4.33Å; K98-I109 HydrophobicContact CG-CG2 3.61Å; P100-I109 HydrophobicContact CB-CG1 4.48Å; I109-R111 HydrophobicContact CG2-CG 4.01Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.44Å; I109-D128 HydrophobicContact CD1-CB 4.23Å; I109-D128 HydrophobicContact CG1-CB 3.8Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.5Å
110W96Very high94.1Very high0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-78.8132.5166.4-17795000109.3I27 V55 F57 L66 L97 K98 A99 L125I27-W110 HydrophobicContact CD1-CH2 3.89Å; I27-W110 HydrophobicContact CD1-CZ2 3.51Å; V55-W110 HydrophobicContact CG2-CZ2 3.88Å; F57-W110 AromaticContact CE2-CD1 3.9Å; F57-W110 AromaticContact CE2-NE1 3.68Å; F57-W110 AromaticContact CZ-CD1 3.79Å; F57-W110 AromaticContact CZ-NE1 3.5Å; L66-W110 HydrophobicContact CD1-CD2 3.7Å; L66-W110 HydrophobicContact CD1-CE3 3.48Å; L66-W110 VanDerWaalsContact CD1-CE3 3.48Å; L66-W110 HydrophobicContact CD1-CG 4.49Å; L66-W110 HydrophobicContact CD1-CH2 3.72Å; L66-W110 HydrophobicContact CD1-CZ2 3.91Å; L66-W110 HydrophobicContact CD1-CZ3 3.5Å; L66-W110 HydrophobicContact CD2-CB 4.1Å; L66-W110 HydrophobicContact CD2-CD2 3.92Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 3.84Å; L66-W110 HydrophobicContact CG-CD2 4.49Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.45Å; L97-W110 HydrophobicContact CD1-CZ3 4.47Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.43Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.38Å; A99-W110 PolarHBondContact N-O 2.93Å; A99-W110 PolarHBondContact O-N 3.34Å; W110-L125 HydrophobicContact CB-CD2 3.7Å; W110-L125 HydrophobicContact CG-CD2 4.09Å
111R96.5Very high94.4Very high89 Ų8937 Ų3734%0.33617%0.174SC..EExtended strand (participates in β ladder)trans-130.2145.1173.8-64.7-169.3-176.5-136.36.2109.9L97 K98 I109 G123 Y124 E126L97-R111 WeakPolarHBondContact O-CA 3.31Å; K98-R111 HydrophobicContact CG-CG 4.41Å; I109-R111 HydrophobicContact CG2-CG 4.01Å; R111-G123 CarbonylContact O-C 3.58Å; R111-G123 WeakPolarHBondContact O-CA 3.21Å; R111-Y124 HydrophobicContact CB-CE1 4.2Å; R111-Y124 HydrophobicContact CB-CE2 4.37Å; R111-Y124 PolarHBondContact N-O 3Å; R111-Y124 PolarHBondContact O-N 3.08Å; R111-E126 WeakPolarHBondContact CD-OE2 3.45Å; R111-E126 IonicContact CZ-OE2 3.68Å; R111-E126 IonicContact NE-OE1 2.67Å; R111-E126 IonicContact NE-OE2 2.69Å; R111-E126 PolarHBondContact NE-OE2 2.83Å; R111-E126 IonicContact NH2-OE2 3.6Å; R111-E126 PolarHBondContact NH2-OE2 3.38Å
112G96.9Very high94.7Very high9 Ų937.8 Ų37.89%0.09318%0.178CC..EExtended strand (participates in β ladder)trans-177.8179.4173.300000112.9Y96 L97 M122Y96-G112 WeakPolarHBondContact CA-O 3.31Å; L97-G112 PolarHBondContact N-O 2.75Å; L97-G112 PolarHBondContact O-N 2.89Å; G112-M122 CarbonylContact C-O 3.6Å; G112-M122 WeakPolarHBondContact CA-O 3.14Å
113W97.4Very high95.1Very high56 Ų5635.8 Ų35.821%0.21217%0.168CC..EExtended strand (participates in β ladder)trans-132.9149.5169.961.8-93000109.9K94 V95 Y96 D115 G121 M122K94-W113 HydrophobicContact CD-CD2 4.05Å; K94-W113 HydrophobicContact CD-CE3 3.48Å; K94-W113 VanDerWaalsContact CD-CE3 3.48Å; K94-W113 HydrophobicContact CD-CZ3 3.76Å; K94-W113 VanDerWaalsContact CE-CZ3 3.48Å; K94-W113 HydrophobicContact CG-CE3 3.97Å; K94-W113 HydrophobicContact CG-CZ3 4.28Å; V95-W113 CarbonylContact O-C 3.59Å; V95-W113 WeakPolarHBondContact O-CA 3.38Å; Y96-W113 HydrophobicContact CD1-CB 3.8Å; Y96-W113 HydrophobicContact CD2-CB 4.27Å; Y96-W113 HydrophobicContact CE1-CB 3.85Å; Y96-W113 HydrophobicContact CE1-CG 4.17Å; Y96-W113 HydrophobicContact CE2-CB 4.31Å; Y96-W113 HydrophobicContact CG-CB 4.02Å; W113-D115 HydrophobicContact CZ3-CB 4.42Å; W113-G121 VanDerWaalsContact O-CA 3.32Å; W113-G121 WeakPolarHBondContact O-CA 3.49Å; W113-M122 HydrophobicContact CH2-CG 4.49Å; W113-M122 HydrophobicContact CZ2-CB 4.18Å; W113-M122 HydrophobicContact CZ2-CG 3.67Å; W113-M122 PolarHBondContact N-O 3.48Å; W113-M122 PolarHBondContact O-N 2.81Å; W113-M122 VanDerWaalsContact O-N 3.08Å
114I97.8Very high95.3Very high0 Ų038 Ų380%018%0.175CC..EExtended strand (participates in β ladder)trans-129.2135.2176.6-69.1171.1000109.1I27 F44 V55 K94 V95 L97 D120I27-I114 HydrophobicContact CD1-CD1 4.09Å; I27-I114 HydrophobicContact CD1-CG1 3.73Å; I27-I114 HydrophobicContact CG1-CG1 4.35Å; F44-I114 HydrophobicContact CE1-CB 4.15Å; F44-I114 HydrophobicContact CE1-CG2 3.68Å; F44-I114 HydrophobicContact CE2-CD1 3.83Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.76Å; F44-I114 HydrophobicContact CZ-CD1 3.64Å; F44-I114 HydrophobicContact CZ-CG1 4.28Å; F44-I114 HydrophobicContact CZ-CG2 3.62Å; V55-I114 HydrophobicContact CG1-CD1 3.69Å; K94-I114 CarbonylContact C-O 3.58Å; K94-I114 VanDerWaalsContact CA-O 3.3Å; K94-I114 WeakPolarHBondContact CA-O 3.45Å; V95-I114 HydrophobicContact CG1-CB 4.23Å; V95-I114 PolarHBondContact N-O 3.44Å; V95-I114 PolarHBondContact O-N 3.48Å; L97-I114 HydrophobicContact CD1-CD1 4.18Å; I114-D120 CarbonylContact C-O 3.59Å; I114-D120 WeakPolarHBondContact CA-O 3.27Å
115D97.7Very high95.7Very high34 Ų3433.7 Ų33.718%0.18215%0.152CC..EExtended strand (participates in β ladder)trans-70.8125.5169.7-174.8-66.2000110.2W113 Q117 R118 L119 D120W113-D115 HydrophobicContact CZ3-CB 4.42Å; D115-Q117 PolarHBondContact O-N 2.83Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.44Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.26Å; D115-Q117 PolarHBondContact OD1-N 3.07Å; D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 3.07Å; D115-L119 WeakPolarHBondContact O-CA 3.42Å; D115-L119 PolarHBondContact O-N 3.4Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 2.83Å
116L95.9Very high96.1Very high29 Ų2936 Ų3615%0.15216%0.16CC..THydrogen-bonded Turntrans-69.7-22.6-175.1-64.2178.2000113.1Q41 F44 Q45 F88 G93 V95Q41-L116 WeakPolarHBondContact CG-O 3.45Å; F44-L116 HydrophobicContact CD1-CD2 4.27Å; F44-L116 HydrophobicContact CE1-CD2 3.98Å; Q45-L116 HydrophobicContact CG-CD2 3.92Å; F88-L116 HydrophobicContact CD1-CD1 4.31Å; F88-L116 HydrophobicContact CD1-CD2 4.38Å; F88-L116 HydrophobicContact CE1-CD2 4.09Å; G93-L116 WeakPolarHBondContact O-CB 3.49Å; G93-L116 WeakPolarHBondContact O-CG 3.07Å; G93-L116 PolarHBondContact O-N 2.97Å; V95-L116 HydrophobicContact CB-CD2 4.08Å; V95-L116 HydrophobicContact CG1-CD2 3.88Å
117Q95.1Very high96.2Very high142 Ų14238.3 Ų38.366%0.66417%0.169SC*.THydrogen-bonded Turntrans-89.5-45.5176.9-66.1-172.4-3.300111.2H37 Q41 D115H37-Q117 PolarHBondContact CE1-O 2.85Å; H37-Q117 VanDerWaalsContact CE1-O 3.3Å; H37-Q117 PolarHBondContact NE2-O 3.01Å; Q41-Q117 PolarHBondContact NE2-O 2.85Å; D115-Q117 PolarHBondContact O-N 2.83Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.44Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.26Å; D115-Q117 PolarHBondContact OD1-N 3.07Å
118R96.2Very high96.3Very high162 Ų16239.1 Ų39.161%0.61117%0.174SC*.THydrogen-bonded Turntrans-86.2-22.6-173.9-65.7172.553175.3-2.9113.7D115 D120D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 3.07Å; R118-D120 VanDerWaalsContact CB-OD1 3.26Å; R118-D120 WeakPolarHBondContact CB-OD1 3.46Å; R118-D120 IonicContact CZ-OD1 2.74Å; R118-D120 IonicContact CZ-OD2 3.42Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 3.22Å; R118-D120 PolarHBondContact NE-OD1 3.12Å; R118-D120 VanDerWaalsContact NE-OD1 3.09Å; R118-D120 IonicContact NE-OD2 2.68Å; R118-D120 PolarHBondContact NE-OD2 3.36Å; R118-D120 VanDerWaalsContact NE-OD2 3.1Å; R118-D120 IonicContact NH2-OD1 3.82Å; R118-D120 PolarHBondContact NH2-OD1 2.86Å; R118-D120 IonicContact NH2-OD2 3.35Å; R118-D120 PolarHBondContact NH2-OD2 3.37Å; R118-D120 PolarHBondContact O-N 3.05Å
119L96.9Very high96.1Very high4 Ų441.8 Ų41.82%0.02119%0.188CC..SBendtrans60.128.9-174.9-53.7178000113.1Y29 R40 Q41 F44 D115Y29-L119 HydrophobicContact CD1-CD1 4.13Å; Y29-L119 PolarHBondContact N-O 2.8Å; R40-L119 HydrophobicContact CB-CD1 3.65Å; Q41-L119 HydrophobicContact CG-CD1 4.11Å; Q41-L119 HydrophobicContact CG-CD2 4.24Å; Q41-L119 HydrophobicContact CG-CG 4.2Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.72Å; F44-L119 HydrophobicContact CE1-CD2 4.48Å; F44-L119 HydrophobicContact CG-CD2 3.97Å; D115-L119 WeakPolarHBondContact O-CA 3.42Å; D115-L119 PolarHBondContact O-N 3.4Å
120D97.1Very high95.7Very high23 Ų2348.8 Ų48.812%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-127.2167.8171.564.420.3000110.3I27 K28 I114 D115 R118I27-D120 CarbonylContact O-C 3.55Å; I27-D120 WeakPolarHBondContact O-CA 3.29Å; K28-D120 HydrophobicContact CG-CB 3.91Å; I114-D120 CarbonylContact C-O 3.59Å; I114-D120 WeakPolarHBondContact CA-O 3.27Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 2.83Å; R118-D120 VanDerWaalsContact CB-OD1 3.26Å; R118-D120 WeakPolarHBondContact CB-OD1 3.46Å; R118-D120 IonicContact CZ-OD1 2.74Å; R118-D120 IonicContact CZ-OD2 3.42Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 3.22Å; R118-D120 PolarHBondContact NE-OD1 3.12Å; R118-D120 VanDerWaalsContact NE-OD1 3.09Å; R118-D120 IonicContact NE-OD2 2.68Å; R118-D120 PolarHBondContact NE-OD2 3.36Å; R118-D120 VanDerWaalsContact NE-OD2 3.1Å; R118-D120 IonicContact NH2-OD1 3.82Å; R118-D120 PolarHBondContact NH2-OD1 2.86Å; R118-D120 IonicContact NH2-OD2 3.35Å; R118-D120 PolarHBondContact NH2-OD2 3.37Å; R118-D120 PolarHBondContact O-N 3.05Å
121G97.1Very high95.2Very high4 Ų450.3 Ų50.34%0.04123%0.226CC..EExtended strand (participates in β ladder)trans174-152.5178.300000112E26 I27 W113E26-G121 WeakPolarHBondContact CA-O 3.33Å; I27-G121 VanDerWaalsContact CG1-C 3.43Å; I27-G121 WeakPolarHBondContact CG1-O 3.11Å; I27-G121 PolarHBondContact N-O 3.46Å; I27-G121 PolarHBondContact O-N 3.14Å; W113-G121 VanDerWaalsContact O-CA 3.32Å; W113-G121 WeakPolarHBondContact O-CA 3.49Å
122M97.7Very high94.8Very high53 Ų5346.1 Ų46.126%0.26121%0.21SC..EExtended strand (participates in β ladder)trans-126.3143.3-179-57-64.1-74.100111.1E24 C25 E26 G112 W113E24-M122 HydrophobicContact CG-CB 3.82Å; E24-M122 HydrophobicContact CG-CE 3.79Å; E24-M122 HydrophobicContact CG-CG 4.47Å; E24-M122 WeakPolarHBondContact OE1-CB 3.45Å; C25-M122 CarbonylContact O-C 3.48Å; C25-M122 WeakPolarHBondContact O-CA 3.49Å; E26-M122 HydrophobicContact CB-SD 4.28Å; G112-M122 CarbonylContact C-O 3.6Å; G112-M122 WeakPolarHBondContact CA-O 3.14Å; W113-M122 HydrophobicContact CH2-CG 4.49Å; W113-M122 HydrophobicContact CZ2-CB 4.18Å; W113-M122 HydrophobicContact CZ2-CG 3.67Å; W113-M122 PolarHBondContact N-O 3.48Å; W113-M122 PolarHBondContact O-N 2.81Å; W113-M122 VanDerWaalsContact O-N 3.08Å
123G97.1Very high94.3Very high0 Ų051.5 Ų51.50%023%0.233CC..EExtended strand (participates in β ladder)trans-153.5166.4175.300000112.9C25 F57 R111C25-G123 PolarHBondContact N-O 2.85Å; C25-G123 PolarHBondContact O-N 2.86Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å; R111-G123 CarbonylContact O-C 3.58Å; R111-G123 WeakPolarHBondContact O-CA 3.21Å
124Y96.5Very high93.7Very high70 Ų7053.5 Ų53.528%0.27524%0.244SC..EExtended strand (participates in β ladder)trans-159.3168179.359.3-81.6000111.3L21 E24 R111 E126L21-Y124 CarbonylContact O-C 3.49Å; L21-Y124 VanDerWaalsContact O-CA 3.22Å; L21-Y124 WeakPolarHBondContact O-CA 3.43Å; E24-Y124 HydrophobicContact CG-CD1 4.42Å; R111-Y124 HydrophobicContact CB-CE1 4.2Å; R111-Y124 HydrophobicContact CB-CE2 4.37Å; R111-Y124 PolarHBondContact N-O 3Å; R111-Y124 PolarHBondContact O-N 3.08Å; Y124-E126 HydrophobicContact CD2-CG 3.86Å; Y124-E126 HydrophobicContact CE2-CG 3.47Å; Y124-E126 VanDerWaalsContact CE2-CG 3.47Å; Y124-E126 WeakPolarHBondContact CE2-OE1 3.5Å
125L96Very high93.1Very high2 Ų254 Ų541%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-105135.7174-65.4-179.6000111.4F12 F18 L21 S22 L103 V108 W110F12-L125 HydrophobicContact CE2-CB 4.32Å; F18-L125 HydrophobicContact CD1-CD1 4.2Å; F18-L125 HydrophobicContact CE1-CD1 4.46Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.02Å; L21-L125 HydrophobicContact CD1-CD1 3.84Å; L21-L125 HydrophobicContact CG-CD1 4.43Å; L21-L125 PolarHBondContact O-N 2.77Å; S22-L125 VanDerWaalsContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CA-O 3.41Å; L103-L125 HydrophobicContact CD2-CD1 3.79Å; V108-L125 HydrophobicContact CG2-CD2 4.17Å; W110-L125 HydrophobicContact CB-CD2 3.7Å; W110-L125 HydrophobicContact CG-CD2 4.09Å
126E96Very high92.4Very high61 Ų6154.6 Ų54.629%0.28525%0.25SC..EExtended strand (participates in β ladder)trans-112.4150.9168.5-63.6-179154.300110V108 I109 R111 Y124V108-E126 CarbonylContact C-O 3.47Å; V108-E126 WeakPolarHBondContact CA-O 3.42Å; V108-E126 WeakPolarHBondContact CB-O 3.34Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.44Å; R111-E126 WeakPolarHBondContact CD-OE2 3.45Å; R111-E126 IonicContact CZ-OE2 3.68Å; R111-E126 IonicContact NE-OE1 2.67Å; R111-E126 IonicContact NE-OE2 2.69Å; R111-E126 PolarHBondContact NE-OE2 2.83Å; R111-E126 IonicContact NH2-OE2 3.6Å; R111-E126 PolarHBondContact NH2-OE2 3.38Å; Y124-E126 HydrophobicContact CD2-CG 3.86Å; Y124-E126 HydrophobicContact CE2-CG 3.47Å; Y124-E126 VanDerWaalsContact CE2-CG 3.47Å; Y124-E126 WeakPolarHBondContact CE2-OE1 3.5Å
127Y94.4Very high91.8Very high47 Ų4755.9 Ų55.918%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-76.3134171.5-178.5-107.6000110.5Q8 R9 F12 V106 D129 A132Q8-Y127 HydrophobicContact CB-CE2 3.84Å; R9-Y127 HydrophobicContact CB-CE1 4.08Å; R9-Y127 HydrophobicContact CB-CE2 4.35Å; R9-Y127 HydrophobicContact CG-CE1 4.49Å; R9-Y127 PolarHBondContact N-OH 2.74Å; F12-Y127 HydrophobicContact CB-CD2 3.98Å; F12-Y127 HydrophobicContact CD1-CG 4.49Å; F12-Y127 HydrophobicContact CD2-CD2 4.36Å; F12-Y127 HydrophobicContact CG-CD2 4.05Å; F12-Y127 HydrophobicContact CG-CG 4.44Å; V106-Y127 HydrophobicContact CG1-CD2 3.96Å; V106-Y127 HydrophobicContact CG1-CE2 3.97Å; Y127-D129 HydrophobicContact CD1-CB 4.14Å; Y127-D129 HydrophobicContact CE1-CB 3.92Å; Y127-D129 WeakPolarHBondContact CE1-OD1 3.42Å; Y127-A132 HydrophobicContact CE1-CB 4.36Å; Y127-A132 HydrophobicContact CE2-CB 4.22Å; Y127-A132 WeakPolarHBondContact OH-CB 3.07Å
128D93.9Very high91.3Very high18 Ų1853.5 Ų53.510%0.09626%0.256CS..  trans-9988.3179.5-164.4-22.9000110C107 I109 R131 A132C107-D128 HydrophobicContact CB-CB 4.1Å; C107-D128 PolarHBondContact O-N 2.84Å; C107-D128 VanDerWaalsContact O-N 3.08Å; I109-D128 HydrophobicContact CD1-CB 4.23Å; I109-D128 HydrophobicContact CG1-CB 3.8Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.5Å; D128-R131 HydrophobicContact CB-CB 4.03Å; D128-R131 VanDerWaalsContact OD1-CB 3.25Å; D128-R131 WeakPolarHBondContact OD1-CB 3.32Å; D128-R131 PolarHBondContact OD1-N 3.02Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.14Å; D128-A132 WeakPolarHBondContact O-CB 3.32Å; D128-A132 PolarHBondContact O-N 3.43Å
129D89.6Confident90.5Very high56 Ų5646.7 Ų46.730%0.29924%0.235SC..Hα-helixtrans-66.2-43.1-174.9-164.377.2000112.4R9 Y127 R131 A132 Q133R9-D129 IonicContact CZ-OD1 2.8Å; R9-D129 IonicContact NE-OD1 3.1Å; R9-D129 IonicContact NH2-OD1 3.94Å; R9-D129 PolarHBondContact NH2-OD1 3.02Å; Y127-D129 HydrophobicContact CD1-CB 4.14Å; Y127-D129 HydrophobicContact CE1-CB 3.92Å; Y127-D129 WeakPolarHBondContact CE1-OD1 3.42Å; D129-R131 PolarHBondContact O-N 3.43Å; D129-A132 PolarHBondContact O-N 2.86Å; D129-Q133 WeakPolarHBondContact O-CG 3.41Å; D129-Q133 PolarHBondContact O-N 3.37Å; D129-Q133 PolarHBondContact OD2-NE2 2.93Å
130E88.3Confident89.6Confident166 Ų16652.5 Ų52.578%0.77626%0.262SS*.Hα-helixtrans-62.4-46.3179.7-65-172.7138.100111H134E130-H134 PolarHBondContact O-N 2.86Å; E130-H134 VanDerWaalsContact O-N 3.17Å
131R85.7Confident88.8Confident31 Ų3154 Ų5412%0.11728%0.277CS..Hα-helixtrans-71.7-36.1179-169.3176.1170.6-175.4-7.4112.5P100 C107 D128 D129 Q133 H134 E135P100-R131 PolarHBondContact O-NH1 2.87Å; C107-R131 HydrophobicContact CB-CB 4.33Å; C107-R131 HydrophobicContact CB-CG 4.39Å; D128-R131 HydrophobicContact CB-CB 4.03Å; D128-R131 VanDerWaalsContact OD1-CB 3.25Å; D128-R131 WeakPolarHBondContact OD1-CB 3.32Å; D128-R131 PolarHBondContact OD1-N 3.02Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.14Å; D129-R131 PolarHBondContact O-N 3.43Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-H134 PolarHBondContact O-N 3.48Å; R131-E135 HydrophobicContact CG-CG 4.13Å; R131-E135 IonicContact NE-OE1 3.52Å; R131-E135 IonicContact NH2-OE1 3.39Å; R131-E135 WeakPolarHBondContact O-CB 3.45Å; R131-E135 WeakPolarHBondContact O-CG 3.45Å; R131-E135 PolarHBondContact O-N 3.46Å
132A87.7Confident87.9Confident1 Ų156.5 Ų56.51%0.00830%0.298CS..Hα-helixtrans-59.2-46.8175.600000110.9Q8 C107 Y127 D128 D129 H134 E135 D136Q8-A132 PolarHBondContact NE2-O 2.91Å; C107-A132 HydrophobicContact CB-CB 4.02Å; Y127-A132 HydrophobicContact CE1-CB 4.36Å; Y127-A132 HydrophobicContact CE2-CB 4.22Å; Y127-A132 WeakPolarHBondContact OH-CB 3.07Å; D128-A132 WeakPolarHBondContact O-CB 3.32Å; D128-A132 PolarHBondContact O-N 3.43Å; D129-A132 PolarHBondContact O-N 2.86Å; A132-H134 VanDerWaalsContact C-N 3.33Å; A132-H134 PolarHBondContact O-N 3.28Å; A132-E135 PolarHBondContact O-N 3.17Å; A132-D136 VanDerWaalsContact O-CB 3.26Å; A132-D136 WeakPolarHBondContact O-CB 3.05Å; A132-D136 PolarHBondContact O-N 3.44Å
133Q86.3Confident86.8Confident122 Ų12260.4 Ų60.457%0.5731%0.313SS*.Hα-helixtrans-60.2-43.3176.3-69.8178.724.100112D129 R131 A137D129-Q133 WeakPolarHBondContact O-CG 3.41Å; D129-Q133 PolarHBondContact O-N 3.37Å; D129-Q133 PolarHBondContact OD2-NE2 2.93Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-A137 WeakPolarHBondContact O-CB 3.27Å; Q133-A137 PolarHBondContact O-N 3.17Å
134H85Confident85.9Confident99 Ų9965.7 Ų65.746%0.45834%0.338SS..Hα-helixtrans-66.4-45.5179.5-174.8-91.9000112.6E130 R131 A132 A137 L138E130-H134 PolarHBondContact O-N 2.86Å; E130-H134 VanDerWaalsContact O-N 3.17Å; R131-H134 PolarHBondContact O-N 3.48Å; A132-H134 VanDerWaalsContact C-N 3.33Å; A132-H134 PolarHBondContact O-N 3.28Å; H134-A137 PolarHBondContact O-N 3.14Å; H134-L138 WeakPolarHBondContact O-CG 3.36Å; H134-L138 PolarHBondContact O-N 3.04Å; H134-L138 VanDerWaalsContact O-N 3.11Å
135E84.9Confident85.2Confident11 Ų1167.1 Ų67.15%0.05135%0.347CS..Hα-helixtrans-69.6-34.6177.6-68.7-84.5178.400111.9R3 V4 I102 R131 A132 L138 A139R3-E135 IonicContact NH1-OE1 2.65Å; R3-E135 IonicContact NH1-OE2 3.95Å; V4-E135 HydrophobicContact CG1-CB 3.75Å; V4-E135 HydrophobicContact CG1-CG 4.45Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; I102-E135 HydrophobicContact CD1-CG 4.33Å; R131-E135 HydrophobicContact CG-CG 4.13Å; R131-E135 IonicContact NE-OE1 3.52Å; R131-E135 IonicContact NH2-OE1 3.39Å; R131-E135 WeakPolarHBondContact O-CB 3.45Å; R131-E135 WeakPolarHBondContact O-CG 3.45Å; R131-E135 PolarHBondContact O-N 3.46Å; A132-E135 PolarHBondContact O-N 3.17Å; E135-L138 PolarHBondContact O-N 3.25Å; E135-A139 VanDerWaalsContact O-CB 3.27Å; E135-A139 WeakPolarHBondContact O-CB 3.26Å; E135-A139 PolarHBondContact O-N 2.95Å
136D83.9Confident84.2Confident45 Ų4569.3 Ų69.324%0.24137%0.365CS..Hα-helixtrans-63.3-44.7173.5-84.2-4.8000111.1V4 Q8 A132 L138 A139 Q140V4-D136 WeakPolarHBondContact CG2-OD1 3.17Å; Q8-D136 PolarHBondContact NE2-OD1 3.09Å; A132-D136 VanDerWaalsContact O-CB 3.26Å; A132-D136 WeakPolarHBondContact O-CB 3.05Å; A132-D136 PolarHBondContact O-N 3.44Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.45Å; D136-A139 PolarHBondContact O-N 3.46Å; D136-Q140 WeakPolarHBondContact O-CB 3.28Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.87Å
137A83.1Confident83.3Confident57 Ų5775.1 Ų75.147%0.47139%0.385SS..Hα-helixtrans-61.1-42.5176.100000111.9Q133 H134 Q140 A141Q133-A137 WeakPolarHBondContact O-CB 3.27Å; Q133-A137 PolarHBondContact O-N 3.17Å; H134-A137 PolarHBondContact O-N 3.14Å; A137-Q140 PolarHBondContact O-N 3.48Å; A137-A141 WeakPolarHBondContact O-CB 3.39Å; A137-A141 PolarHBondContact O-N 3.38Å
138L83.6Confident82.5Confident92 Ų9281 Ų8148%0.48241%0.406SS..Hα-helixtrans-65-41.6175.1-73173.2000112.3H134 E135 D136 A141 A142H134-L138 WeakPolarHBondContact O-CG 3.36Å; H134-L138 PolarHBondContact O-N 3.04Å; H134-L138 VanDerWaalsContact O-N 3.11Å; E135-L138 PolarHBondContact O-N 3.25Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 3.5Å; L138-A142 WeakPolarHBondContact O-CB 3.32Å; L138-A142 PolarHBondContact O-N 3.11Å
139A80.1Confident81.7Confident19 Ų1987.8 Ų87.816%0.15743%0.431CS..Hα-helixtrans-65.5-40.8178.100000111.6P2 V4 E135 D136 A142 F143P2-A139 HydrophobicContact CB-CB 4.07Å; V4-A139 HydrophobicContact CG2-CB 3.91Å; E135-A139 VanDerWaalsContact O-CB 3.27Å; E135-A139 WeakPolarHBondContact O-CB 3.26Å; E135-A139 PolarHBondContact O-N 2.95Å; D136-A139 PolarHBondContact O-N 3.46Å; A139-A142 PolarHBondContact O-N 2.72Å; A139-F143 WeakPolarHBondContact O-CB 3.35Å; A139-F143 PolarHBondContact O-N 2.99Å
140Q77.4Confident81Confident126 Ų12688.8 Ų88.859%0.58944%0.439SS*.Hα-helixtrans-63-47.6174.3-741754.400111.3D136 A137 A142 F143 E144D136-Q140 WeakPolarHBondContact O-CB 3.28Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.87Å; A137-Q140 PolarHBondContact O-N 3.48Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A142 PolarHBondContact O-N 3.33Å; Q140-F143 PolarHBondContact O-N 2.94Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q140-E144 WeakPolarHBondContact O-CG 3.39Å; Q140-E144 PolarHBondContact O-N 3.41Å
141A80.2Confident80.6Confident55 Ų5588.8 Ų88.846%0.45543%0.432SS..Hα-helixtrans-58.9-44.5176.700000112A137 L138 F143 E144 E145A137-A141 WeakPolarHBondContact O-CB 3.39Å; A137-A141 PolarHBondContact O-N 3.38Å; L138-A141 PolarHBondContact O-N 3.5Å; A141-F143 VanDerWaalsContact C-N 3.33Å; A141-F143 PolarHBondContact O-N 2.86Å; A141-E144 PolarHBondContact O-N 3.45Å; A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 PolarHBondContact O-N 2.93Å
142A79.2Confident80.2Confident56 Ų5691.5 Ų91.546%0.46345%0.449SS..Hα-helixtrans-65.1-35.6176.800000112.5L138 A139 Q140 A146L138-A142 WeakPolarHBondContact O-CB 3.32Å; L138-A142 PolarHBondContact O-N 3.11Å; A139-A142 PolarHBondContact O-N 2.72Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A142 PolarHBondContact O-N 3.33Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.14Å
143F74.9Confident79.4Confident135 Ų13598.4 Ų98.459%0.59248%0.479SS*.Hα-helixtrans-69.8-43.3176.5-170.5-94.6000111.8A139 Q140 A141 E145 A146 R147A139-F143 WeakPolarHBondContact O-CB 3.35Å; A139-F143 PolarHBondContact O-N 2.99Å; Q140-F143 PolarHBondContact O-N 2.94Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; A141-F143 VanDerWaalsContact C-N 3.33Å; A141-F143 PolarHBondContact O-N 2.86Å; F143-E145 VanDerWaalsContact C-N 3.35Å; F143-A146 PolarHBondContact O-N 3.4Å; F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 2.79Å
144E78Confident78.9Confident111 Ų11198 Ų9852%0.51948%0.477SS..Hα-helixtrans-62.4-42.4174.7-74.5-173.9-176.400111.9Q140 A141 R147 R148Q140-E144 WeakPolarHBondContact O-CG 3.39Å; Q140-E144 PolarHBondContact O-N 3.41Å; A141-E144 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 3.16Å; E144-R148 WeakPolarHBondContact O-CG 3.4Å; E144-R148 PolarHBondContact O-N 3.22Å
145E80.2Confident78.4Confident99 Ų9996.6 Ų96.646%0.46347%0.473SS..Hα-helixtrans-64.2-44.2176.7-169.1-176.7-178.700111.5A141 F143 R147 R148 R149A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 PolarHBondContact O-N 2.93Å; F143-E145 VanDerWaalsContact C-N 3.35Å; E145-R147 VanDerWaalsContact C-N 3.35Å; E145-R147 PolarHBondContact O-N 2.98Å; E145-R148 PolarHBondContact O-N 3.07Å; E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 2.91Å; E145-R149 IonicContact OE1-CZ 2.69Å; E145-R149 IonicContact OE1-NE 3.8Å; E145-R149 IonicContact OE1-NH2 3.61Å; E145-R149 PolarHBondContact OE1-NH2 3.38Å
146A76.4Confident77.8Confident48 Ų48104.9 Ų104.940%0.39750%0.504SS..Hα-helixtrans-61.2-43.9174.700000111.5A142 F143 R148 R149 T150A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.14Å; F143-A146 PolarHBondContact O-N 3.4Å; A146-R148 PolarHBondContact O-N 2.98Å; A146-R149 PolarHBondContact O-N 3.25Å; A146-T150 PolarHBondContact O-N 3.49Å; A146-T150 PolarHBondContact O-OG1 3.36Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å
147R76.7Confident77.3Confident183 Ų183107.5 Ų107.569%0.69152%0.518SS*.Hα-helixtrans-63.8-40.2177.8-173178.3178.1-175.50.2112.2F143 E144 E145 T150 R151F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 2.79Å; E144-R147 PolarHBondContact O-N 3.16Å; E145-R147 VanDerWaalsContact C-N 3.35Å; E145-R147 PolarHBondContact O-N 2.98Å; R147-T150 PolarHBondContact O-N 3.27Å; R147-R151 WeakPolarHBondContact O-CB 3.33Å; R147-R151 PolarHBondContact O-N 2.85Å
148R77.2Confident76.8Confident170 Ų170111.7 Ų111.764%0.64252%0.521SS*.Hα-helixtrans-61.5-48.5172.8-75.9-177.8-169.5-162.65.3110.8E144 E145 A146 T150 R151 D152E144-R148 WeakPolarHBondContact O-CG 3.4Å; E144-R148 PolarHBondContact O-N 3.22Å; E145-R148 PolarHBondContact O-N 3.07Å; A146-R148 PolarHBondContact O-N 2.98Å; R148-T150 VanDerWaalsContact C-N 3.33Å; R148-T150 PolarHBondContact O-N 3.49Å; R148-R151 PolarHBondContact O-N 2.65Å; R148-R151 VanDerWaalsContact O-N 3.16Å; R148-D152 WeakPolarHBondContact O-CB 3.4Å; R148-D152 PolarHBondContact O-N 2.96Å
149R77Confident76.2Confident161 Ų161109.8 Ų109.861%0.60852%0.516SS*.Hα-helixtrans-59.4-41.6177.8-71.6175.9-174.1-173.61.9112.7E145 A146 F153E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 2.91Å; E145-R149 IonicContact OE1-CZ 2.69Å; E145-R149 IonicContact OE1-NE 3.8Å; E145-R149 IonicContact OE1-NH2 3.61Å; E145-R149 PolarHBondContact OE1-NH2 3.38Å; A146-R149 PolarHBondContact O-N 3.25Å; R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 3.23Å
150T76.5Confident75.7Confident78 Ų78114.2 Ų114.248%0.47953%0.533SS..Hα-helixtrans-64-45.5175.5-56.30000110.9A146 R147 R148 F153 E154A146-T150 PolarHBondContact O-N 3.49Å; A146-T150 PolarHBondContact O-OG1 3.36Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å; R147-T150 PolarHBondContact O-N 3.27Å; R148-T150 VanDerWaalsContact C-N 3.33Å; R148-T150 PolarHBondContact O-N 3.49Å; T150-F153 WeakPolarHBondContact O-CB 3.36Å; T150-F153 PolarHBondContact O-N 2.95Å; T150-E154 WeakPolarHBondContact O-CG 3.47Å; T150-E154 PolarHBondContact O-N 2.85Å
151R78.4Confident75.3Confident166 Ų166115.5 Ų115.563%0.62653%0.532SS*.Hα-helixtrans-62.8-45.2177.9-171.3-179.7-176178.73.4112.3R147 R148 F153 E154 D155R147-R151 WeakPolarHBondContact O-CB 3.33Å; R147-R151 PolarHBondContact O-N 2.85Å; R148-R151 PolarHBondContact O-N 2.65Å; R148-R151 VanDerWaalsContact O-N 3.16Å; R151-F153 PolarHBondContact O-N 2.91Å; R151-E154 PolarHBondContact O-N 3.32Å; R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 PolarHBondContact O-N 2.81Å
152D77.2Confident74.7Confident88 Ų88118.2 Ų118.247%0.47154%0.536SS..Hα-helixtrans-62.1-33.2177.1-66.2-17.7000111.5R148 R156R148-D152 WeakPolarHBondContact O-CB 3.4Å; R148-D152 PolarHBondContact O-N 2.96Å; D152-R156 WeakPolarHBondContact O-CB 3.23Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.41Å; D152-R156 PolarHBondContact O-N 3.46Å; D152-R156 VanDerWaalsContact O-N 3.13Å
153F71.7Confident73.9Confident146 Ų146121.4 Ų121.464%0.6455%0.545SS*.Hα-helixtrans-71.9-44.8175.1-167.1-91.4000111.8R149 T150 R151 R156 D157R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 3.23Å; T150-F153 WeakPolarHBondContact O-CB 3.36Å; T150-F153 PolarHBondContact O-N 2.95Å; R151-F153 PolarHBondContact O-N 2.91Å; F153-R156 PolarHBondContact O-N 2.91Å; F153-D157 WeakPolarHBondContact O-CB 3.46Å; F153-D157 PolarHBondContact O-N 3.35Å
154E76.1Confident73.2Confident113 Ų113120.3 Ų120.353%0.52855%0.545SS..Hα-helixtrans-62.2-40.5175.4-72.8174.2174.400112.3T150 R151 D157 R158T150-E154 WeakPolarHBondContact O-CG 3.47Å; T150-E154 PolarHBondContact O-N 2.85Å; R151-E154 PolarHBondContact O-N 3.32Å; E154-D157 PolarHBondContact O-N 3.04Å; E154-R158 WeakPolarHBondContact O-CB 3.42Å; E154-R158 PolarHBondContact O-N 3.13Å
155D74.1Confident72.1Confident70 Ų70121.3 Ų121.337%0.37455%0.55SS..Hα-helixtrans-68.4-38177.8-74.9-21.4000111.1R151 S159R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 PolarHBondContact O-N 2.81Å; D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.42Å
156R72.6Confident70.9Confident185 Ų185122.7 Ų122.770%0.69856%0.56SS**Hα-helixtrans-68-39.8173.5-77.8175.5-176.7-174.42.6113.3D152 F153 R158 S159 H160D152-R156 WeakPolarHBondContact O-CB 3.23Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.41Å; D152-R156 PolarHBondContact O-N 3.46Å; D152-R156 VanDerWaalsContact O-N 3.13Å; F153-R156 PolarHBondContact O-N 2.91Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-S159 WeakPolarHBondContact CA-OG 3.46Å; R156-S159 PolarHBondContact O-N 2.94Å; R156-S159 PolarHBondContact O-OG 3.1Å; R156-H160 VanDerWaalsContact O-CB 3.24Å; R156-H160 WeakPolarHBondContact O-CB 3.24Å; R156-H160 PolarHBondContact O-N 3.45Å
157D71.8Confident69.8Low99 Ų99124.7 Ų124.753%0.52957%0.569SS.*Hα-helixtrans-65.7-41.3176.8-16972.6000110.5F153 E154 H160 R161F153-D157 WeakPolarHBondContact O-CB 3.46Å; F153-D157 PolarHBondContact O-N 3.35Å; E154-D157 PolarHBondContact O-N 3.04Å; D157-H160 PolarHBondContact O-N 3.31Å; D157-R161 WeakPolarHBondContact O-CB 3.42Å; D157-R161 PolarHBondContact O-N 2.93Å
158R74Confident68.6Low145 Ų145122.4 Ų122.455%0.54758%0.575SS.*Hα-helixtrans-61.2-50172.5-173-176.1-58.5172.36.7112.1E154 R156 H160 R161 E162E154-R158 WeakPolarHBondContact O-CB 3.42Å; E154-R158 PolarHBondContact O-N 3.13Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-H160 VanDerWaalsContact C-N 3.3Å; R158-H160 PolarHBondContact O-N 3.41Å; R158-R161 WeakPolarHBondContact O-CB 3.41Å; R158-R161 PolarHBondContact O-N 3.35Å; R158-R161 VanDerWaalsContact O-N 3.1Å; R158-E162 HydrophobicContact CG-CG 4.5Å; R158-E162 WeakPolarHBondContact O-CG 3.04Å; R158-E162 PolarHBondContact O-N 2.93Å
159S71Confident67.3Low52 Ų52121 Ų12136%0.36459%0.585SS.*Hα-helixtrans-62.1-40.2179.864.90000111.6D155 R156 R161 E162 D163D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.42Å; R156-S159 WeakPolarHBondContact CA-OG 3.46Å; R156-S159 PolarHBondContact O-N 2.94Å; R156-S159 PolarHBondContact O-OG 3.1Å; S159-R161 VanDerWaalsContact C-N 3.29Å; S159-R161 PolarHBondContact O-N 2.95Å; S159-E162 PolarHBondContact O-N 3.48Å; S159-D163 WeakPolarHBondContact O-CB 3.32Å; S159-D163 PolarHBondContact O-N 3.2Å
160H69.9Low65.9Low113 Ų113118.7 Ų118.752%0.52359%0.594SS.*Hα-helixtrans-64.7-34.2175.5-176.6-96.4000112.3R156 D157 R158 L164R156-H160 VanDerWaalsContact O-CB 3.24Å; R156-H160 WeakPolarHBondContact O-CB 3.24Å; R156-H160 PolarHBondContact O-N 3.45Å; D157-H160 PolarHBondContact O-N 3.31Å; R158-H160 VanDerWaalsContact C-N 3.3Å; R158-H160 PolarHBondContact O-N 3.41Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.5Å; H160-L164 WeakPolarHBondContact O-CB 3.45Å; H160-L164 WeakPolarHBondContact O-CD1 3.45Å; H160-L164 WeakPolarHBondContact O-CG 3.35Å; H160-L164 PolarHBondContact O-N 2.97Å
161R68.4Low64.6Low152 Ų152124.8 Ų124.857%0.57461%0.614SS**Hα-helixtrans-70.9-40.5174.6-158.7178.983.4139.212.8112.2D157 R158 S159 L164 E165D157-R161 WeakPolarHBondContact O-CB 3.42Å; D157-R161 PolarHBondContact O-N 2.93Å; R158-R161 WeakPolarHBondContact O-CB 3.41Å; R158-R161 PolarHBondContact O-N 3.35Å; R158-R161 VanDerWaalsContact O-N 3.1Å; S159-R161 VanDerWaalsContact C-N 3.29Å; S159-R161 PolarHBondContact O-N 2.95Å; R161-L164 PolarHBondContact O-N 3.33Å; R161-E165 PolarHBondContact O-N 3.29Å
162E67.3Low63.4Low112 Ų112123.9 Ų123.952%0.52362%0.62SS.*Hα-helixtrans-64-42.7175.1-71.7172.7159.700111.1R158 S159 L164 E165 D166R158-E162 HydrophobicContact CG-CG 4.5Å; R158-E162 WeakPolarHBondContact O-CG 3.04Å; R158-E162 PolarHBondContact O-N 2.93Å; S159-E162 PolarHBondContact O-N 3.48Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; E162-E165 PolarHBondContact O-N 3.18Å; E162-D166 PolarHBondContact O-N 2.91Å
163D62.2Low62.2Low124 Ų124131.2 Ų131.266%0.66364%0.641SS**Hα-helixtrans-62.8-31.3174.3-72.7-27.4000113S159S159-D163 WeakPolarHBondContact O-CB 3.32Å; S159-D163 PolarHBondContact O-N 3.2Å
164L60.3Low60.8Low112 Ų112135.9 Ų135.959%0.58667%0.673SS**Hα-helixtrans-82.5-22.2176.6-79168.4000113.8H160 R161 E162 D166 P167H160-L164 WeakPolarHBondContact CE1-CD1 3.5Å; H160-L164 WeakPolarHBondContact O-CB 3.45Å; H160-L164 WeakPolarHBondContact O-CD1 3.45Å; H160-L164 WeakPolarHBondContact O-CG 3.35Å; H160-L164 PolarHBondContact O-N 2.97Å; R161-L164 PolarHBondContact O-N 3.33Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; L164-D166 VanDerWaalsContact C-N 3.28Å; L164-P167 WeakPolarHBondContact O-CD 3.47Å
165E55.9Low60Low132 Ų132137.1 Ų137.162%0.61768%0.68SS**Hα-helixtrans-82.2-7.5171.9-76.5179.3153.600112R161 E162R161-E165 PolarHBondContact O-N 3.29Å; E162-E165 PolarHBondContact O-N 3.18Å
166D54.6Low59.3Low128 Ų128140.6 Ų140.668%0.68470%0.696SS**  trans-10241.5177.5-126.2-25.5000116.7E162 L164E162-D166 PolarHBondContact O-N 2.91Å; L164-D166 VanDerWaalsContact C-N 3.28Å
167P52.3Low58.5Low89 Ų89138.1 Ų138.158%0.57870%0.696SS**SBendtrans-101.4120.715232-24.5000109.1L164L164-P167 WeakPolarHBondContact O-CD 3.47Å
168V52.4Low57.7Low135 Ų135140.4 Ų140.482%0.81871%0.706SS**SBendtrans98.356.5165-159.60000116.8
169V49.3Very low56.7Low141 Ų141140.1 Ų140.186%0.85572%0.715SS**SBendtrans-13438.3149.5-161.60000112.1
170S48.5Very low55.8Low113 Ų113146 Ų14679%0.7974%0.739SS**SBendtrans-141.731.4176.3-163.70000115
171K48.8Very low54.8Low206 Ų206148.4 Ų148.490%0.89675%0.754SS**  trans-146.152.3166.5-76.2-164.4177.9177.20113.2
172I53Low53.7Low147 Ų147148.1 Ų148.175%0.75477%0.768SS**SBendtrans-124.7131.8154.4-59.9173.8000102.7
173W52.7Low52.6Low242 Ų242151.1 Ų151.192%0.91779%0.789SS**  trans84.564.4-168.5-43.696.3000115.6
174D41.3Very low51.7Low244 Ų244153.5 Ų153.5100%1.30580%0.8SS**  -163.80119.1-124.2-84000110

Retrieved 174 of 174 residues in 51.5 ms (Link to these results)