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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 X5D679, Species CALMI (Callorhinchus milii, Ghost shark), Gene Runxb, Length 187 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
1M57.4Low83.3Confident232 Ų23287 Ų87100%1.14344%0.442SS*.  0142.30-80.8179.3165.700108
2P67.1Low84.2Confident53 Ų5381.6 Ų81.634%0.34441%0.413SS..  trans-64.2143.8-178.2-11.825.8000110.4A139 Y143P2-A139 HydrophobicContact CB-CB 4.32Å; P2-Y143 HydrophobicContact CB-CE2 4.17Å; P2-Y143 HydrophobicContact CG-CD2 4.3Å; P2-Y143 HydrophobicContact CG-CE1 4.36Å; P2-Y143 HydrophobicContact CG-CE2 3.25Å; P2-Y143 WeakPolarHBondContact CG-OH 3.36Å
3R78.7Confident84.9Confident147 Ų14782.9 Ų82.956%0.55542%0.417SS*.SBendtrans-81.8-21.1174.5-61.1177.571.7-1727.8112.1I102 E135R3-I102 HydrophobicContact CB-CD1 4.24Å; R3-I102 WeakPolarHBondContact O-CG2 3.46Å; R3-E135 IonicContact NH1-OE1 3.44Å
4V86.2Confident85.5Confident12 Ų1284.8 Ų84.87%0.07343%0.429CS..SBendtrans-120151.9-175.1-64.60000111.9Q8 I102 G105 E135 D136 A139V4-Q8 HydrophobicContact CB-CG 4.41Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.33Å; V4-G105 CarbonylContact C-O 3.43Å; V4-G105 VanDerWaalsContact CA-O 3.24Å; V4-G105 WeakPolarHBondContact CA-O 3.41Å; V4-G105 WeakPolarHBondContact CB-O 3.43Å; V4-E135 HydrophobicContact CG1-CB 3.73Å; V4-E135 HydrophobicContact CG1-CG 4.33Å; V4-E135 HydrophobicContact CG2-CB 4.12Å; V4-D136 WeakPolarHBondContact CG2-OD1 3.48Å; V4-A139 HydrophobicContact CG2-CB 4.21Å
5V85.8Confident86.1Confident41 Ų4184.1 Ų84.125%0.24842%0.424CS..  trans-85.4155.1174.3-66.70000111Q8 K11 G105 V106V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 3Å; V5-K11 HydrophobicContact CG2-CD 3.62Å; V5-G105 WeakPolarHBondContact CG2-O 3.26Å; V5-G105 PolarHBondContact N-O 3.32Å; V5-V106 HydrophobicContact CG2-CG2 4.21Å
6P82.6Confident86.5Confident109 Ų10986.7 Ų86.771%0.70843%0.434SS*.THydrogen-bonded Turntrans-58.7151.7164.5-2032.7000111.4Q8P6-Q8 VanDerWaalsContact C-N 3.32Å; P6-Q8 PolarHBondContact O-N 2.83Å
7D87.3Confident86.8Confident128 Ų12885.4 Ų85.468%0.68443%0.425SS*.THydrogen-bonded Turntrans52.145.1175.5-57.3-39.9000113.9R9 S10 K11D7-R9 PolarHBondContact O-N 3.4Å; D7-S10 WeakPolarHBondContact O-CB 3.44Å; D7-S10 PolarHBondContact O-N 3.47Å; D7-K11 PolarHBondContact O-N 2.74Å; D7-K11 VanDerWaalsContact O-N 3.16Å
8Q91.8Very high87.2Confident3 Ų380.6 Ų80.61%0.01440%0.401CS..Hα-helixtrans-48.4-40.8-176.2-58.8-174.34900113.2V4 V5 P6 K11 F12 V106 C107 F127 A132 D136V4-Q8 HydrophobicContact CB-CG 4.41Å; V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 3Å; P6-Q8 VanDerWaalsContact C-N 3.32Å; P6-Q8 PolarHBondContact O-N 2.83Å; Q8-K11 PolarHBondContact O-N 3.07Å; Q8-F12 PolarHBondContact O-N 3.17Å; Q8-V106 HydrophobicContact CB-CG1 4.31Å; Q8-C107 PolarHBondContact OE1-SG 2.82Å; Q8-F127 HydrophobicContact CB-CE2 3.78Å; Q8-F127 HydrophobicContact CB-CZ 4.07Å; Q8-A132 PolarHBondContact NE2-O 3.26Å; Q8-D136 PolarHBondContact NE2-OD1 2.64Å
9R92.5Very high87.5Confident124 Ų12484 Ų8447%0.46841%0.409SS..Hα-helixtrans-61-46.8178.3-175.9172.2-175.6154.21.2112.5D7 K11 F12 E13 F127 E129D7-R9 PolarHBondContact O-N 3.4Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.44Å; R9-F12 PolarHBondContact O-N 3.49Å; R9-E13 HydrophobicContact CG-CG 4.47Å; R9-E13 WeakPolarHBondContact CG-OE1 2.96Å; R9-E13 IonicContact CZ-OE1 3.83Å; R9-E13 IonicContact NE-OE1 3.62Å; R9-E13 PolarHBondContact NE-OE1 3.37Å; R9-E13 IonicContact NH2-OE1 3.37Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.32Å; R9-E13 PolarHBondContact O-N 3.02Å; R9-F127 HydrophobicContact CB-CE1 3.99Å; R9-F127 HydrophobicContact CB-CE2 4.49Å; R9-F127 HydrophobicContact CB-CZ 3.94Å; R9-F127 HydrophobicContact CG-CE1 4.34Å; R9-E129 IonicContact NH1-OE1 3.07Å; R9-E129 PolarHBondContact NH1-OE1 2.86Å
10S93.3Very high87.8Confident59 Ų5985 Ų8541%0.41341%0.411SS..Hα-helixtrans-61.1-41.6177.21790000110.9D7 E13 N14D7-S10 WeakPolarHBondContact O-CB 3.44Å; D7-S10 PolarHBondContact O-N 3.47Å; S10-E13 PolarHBondContact O-N 3.15Å; S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.06Å; S10-N14 PolarHBondContact O-ND2 2.86Å; S10-N14 PolarHBondContact OG-ND2 3.24Å; S10-N14 VanDerWaalsContact OG-ND2 3.1Å
11K93.4Very high88.1Confident49 Ų4980.9 Ų80.921%0.21339%0.391CS..Hα-helixtrans-62.6-44.9176.3-169.4173.3-177.3-176.40111.9V5 D7 Q8 R9 E13 E15 F18 N104 V106V5-K11 HydrophobicContact CG2-CD 3.62Å; D7-K11 PolarHBondContact O-N 2.74Å; D7-K11 VanDerWaalsContact O-N 3.16Å; Q8-K11 PolarHBondContact O-N 3.07Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.44Å; K11-E13 PolarHBondContact O-N 3.1Å; K11-E15 WeakPolarHBondContact CE-OE1 3.24Å; K11-E15 WeakPolarHBondContact CE-OE2 3.46Å; K11-E15 VanDerWaalsContact CG-CD 3.4Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 IonicContact NZ-OE1 2.6Å; K11-E15 VanDerWaalsContact O-CB 3.31Å; K11-E15 WeakPolarHBondContact O-CB 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 3.04Å; K11-F18 HydrophobicContact CG-CE2 4.45Å; K11-N104 PolarHBondContact NZ-O 3.04Å; K11-V106 HydrophobicContact CB-CG2 4.05Å; K11-V106 HydrophobicContact CD-CG2 3.72Å; K11-V106 HydrophobicContact CG-CG2 3.99Å
12F94.4Very high89.8Confident22 Ų2271.6 Ų71.610%0.09635%0.349CS..Hα-helixtrans-60.9-43.6176.8-174.5-94.7000112.6Q8 R9 F18 S22 V106 V108 L125 F127Q8-F12 PolarHBondContact O-N 3.17Å; R9-F12 PolarHBondContact O-N 3.49Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CE1 4.31Å; F12-F18 AromaticContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CE2-CB 4.31Å; F12-F18 AromaticContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CG 4.38Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.22Å; F12-F18 WeakPolarHBondContact O-CB 3.35Å; F12-S22 WeakPolarHBondContact CZ-OG 3.38Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.15Å; F12-V108 HydrophobicContact CD2-CG1 3.69Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F12-L125 HydrophobicContact CE2-CB 4.26Å; F12-F127 HydrophobicContact CB-CD2 4.04Å; F12-F127 HydrophobicContact CD1-CB 3.8Å; F12-F127 HydrophobicContact CD2-CB 4.34Å; F12-F127 HydrophobicContact CD2-CD2 4.41Å; F12-F127 HydrophobicContact CE1-CB 3.88Å; F12-F127 HydrophobicContact CE2-CB 4.4Å; F12-F127 HydrophobicContact CG-CB 4.03Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.17Å
13E93.4Very high91Very high99 Ų9977.5 Ų77.546%0.46337%0.365SS..Hα-helixtrans-75.1-31.9-176.8-70.6174.7-17700112.9R9 S10 K11 R19R9-E13 HydrophobicContact CG-CG 4.47Å; R9-E13 WeakPolarHBondContact CG-OE1 2.96Å; R9-E13 IonicContact CZ-OE1 3.83Å; R9-E13 IonicContact NE-OE1 3.62Å; R9-E13 PolarHBondContact NE-OE1 3.37Å; R9-E13 IonicContact NH2-OE1 3.37Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.32Å; R9-E13 PolarHBondContact O-N 3.02Å; S10-E13 PolarHBondContact O-N 3.15Å; K11-E13 PolarHBondContact O-N 3.1Å; E13-R19 WeakPolarHBondContact O-CD 3.24Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.27Å
14N93.1Very high91.7Very high109 Ų10976.2 Ų76.258%0.58337%0.365SS*.Hα-helixtrans-100.6-31.3-171.4-67.3-51.6000114.7S10 E16S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.06Å; S10-N14 PolarHBondContact O-ND2 2.86Å; S10-N14 PolarHBondContact OG-ND2 3.24Å; S10-N14 VanDerWaalsContact OG-ND2 3.1Å; N14-E16 PolarHBondContact O-N 3.28Å
15E94.6Very high92.1Very high75 Ų7576.5 Ų76.535%0.3537%0.367SS..  trans-71.7129.6-179.1-73.6-168.7161.900111.7K11 F17 F18 R19K11-E15 WeakPolarHBondContact CE-OE1 3.24Å; K11-E15 WeakPolarHBondContact CE-OE2 3.46Å; K11-E15 VanDerWaalsContact CG-CD 3.4Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 IonicContact NZ-OE1 2.6Å; K11-E15 VanDerWaalsContact O-CB 3.31Å; K11-E15 WeakPolarHBondContact O-CB 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 3.04Å; E15-F17 PolarHBondContact O-N 3.19Å; E15-F17 VanDerWaalsContact O-N 3.16Å; E15-F18 HydrophobicContact CB-CD2 4.03Å; E15-F18 PolarHBondContact O-N 3.04Å; E15-F18 VanDerWaalsContact O-N 3.14Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.42Å; E15-R19 WeakPolarHBondContact O-CG 3.13Å; E15-R19 PolarHBondContact O-N 3.05Å
16E92.1Very high92.6Very high125 Ų12578.4 Ų78.458%0.58437%0.373SS*.Hα-helixtrans-56.8-35-179.3-170.1-175.6176.300112.4N14 R19 K20N14-E16 PolarHBondContact O-N 3.28Å; E16-R19 PolarHBondContact O-N 2.79Å; E16-K20 HydrophobicContact CG-CD 4.2Å; E16-K20 HydrophobicContact CG-CG 4.46Å; E16-K20 WeakPolarHBondContact O-CB 3.16Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 3.44Å; E16-K20 WeakPolarHBondContact OE1-CE 3.38Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 3.09Å
17F92.3Very high93.4Very high64 Ų6473.2 Ų73.228%0.28134%0.339SS..Hα-helixtrans-56.8-54.2176.1175.1-101.9000111.8E15 K20 L21 T62 L103E15-F17 PolarHBondContact O-N 3.19Å; E15-F17 VanDerWaalsContact O-N 3.16Å; F17-K20 PolarHBondContact O-N 2.84Å; F17-L21 HydrophobicContact CD1-CD1 4.48Å; F17-L21 HydrophobicContact CD2-CD1 4.27Å; F17-L21 HydrophobicContact CE1-CD1 3.9Å; F17-L21 HydrophobicContact CE2-CD1 3.66Å; F17-L21 HydrophobicContact CZ-CD1 3.45Å; F17-L21 VanDerWaalsContact CZ-CD1 3.45Å; F17-L21 WeakPolarHBondContact O-CG 3.33Å; F17-L21 PolarHBondContact O-N 3.3Å; F17-T62 HydrophobicContact CE2-CG2 3.99Å; F17-T62 HydrophobicContact CZ-CG2 4.17Å; F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.07Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å
18F93.7Very high93.9Very high0 Ų071.4 Ų71.40%033%0.326CS..Hα-helixtrans-67-46.3178.6-71.8-67.7000111.2K11 F12 E15 K20 L21 S22 L103 N104 V106 V108 L125K11-F18 HydrophobicContact CG-CE2 4.45Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CE1 4.31Å; F12-F18 AromaticContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CE2-CB 4.31Å; F12-F18 AromaticContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CG 4.38Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.22Å; F12-F18 WeakPolarHBondContact O-CB 3.35Å; E15-F18 HydrophobicContact CB-CD2 4.03Å; E15-F18 PolarHBondContact O-N 3.04Å; E15-F18 VanDerWaalsContact O-N 3.14Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.42Å; F18-K20 PolarHBondContact O-N 3.44Å; F18-K20 VanDerWaalsContact O-N 3.11Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 WeakPolarHBondContact O-CA 3.37Å; F18-L21 PolarHBondContact O-N 2.92Å; F18-S22 PolarHBondContact O-N 2.89Å; F18-S22 PolarHBondContact O-OG 2.92Å; F18-L103 HydrophobicContact CE1-CB 4.24Å; F18-L103 HydrophobicContact CE1-CD2 4.05Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 HydrophobicContact CZ-CB 4.46Å; F18-L103 HydrophobicContact CZ-CG 4.49Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; F18-N104 HydrophobicContact CZ-CB 4.3Å; F18-V106 HydrophobicContact CE1-CB 4.37Å; F18-V106 HydrophobicContact CE2-CB 4.25Å; F18-V106 HydrophobicContact CE2-CG2 3.79Å; F18-V106 HydrophobicContact CZ-CB 3.8Å; F18-V106 HydrophobicContact CZ-CG1 4.42Å; F18-V106 HydrophobicContact CZ-CG2 3.83Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; F18-L125 HydrophobicContact CD1-CD1 4.14Å; F18-L125 HydrophobicContact CE1-CD1 4.43Å
19R93.4Very high94.1Very high145 Ų14571.9 Ų71.955%0.54733%0.327SS..Hα-helixtrans-54.9-35.7179.5-68.8178.668.3-172.90.1113.8E13 E15 E16E13-R19 WeakPolarHBondContact O-CD 3.24Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 WeakPolarHBondContact O-CG 3.13Å; E15-R19 PolarHBondContact O-N 3.05Å; E16-R19 PolarHBondContact O-N 2.79Å
20K92.9Very high94.3Very high103 Ų10367.4 Ų67.445%0.44831%0.314SS..Hα-helixtrans-68.4-44.4174.3-77.6176.3179.3168.60111.6E16 F17 F18 C25 T60E16-K20 HydrophobicContact CG-CD 4.2Å; E16-K20 HydrophobicContact CG-CG 4.46Å; E16-K20 WeakPolarHBondContact O-CB 3.16Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 3.44Å; E16-K20 WeakPolarHBondContact OE1-CE 3.38Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 3.09Å; F17-K20 PolarHBondContact O-N 2.84Å; F18-K20 PolarHBondContact O-N 3.44Å; F18-K20 VanDerWaalsContact O-N 3.11Å; K20-C25 PolarHBondContact O-SG 3.34Å; K20-T60 HydrophobicContact CB-CG2 4.23Å; K20-T60 HydrophobicContact CD-CG2 4.31Å
21L93.6Very high94.4Very high0 Ų064.8 Ų64.80%030%0.296CS..Hα-helixtrans-82-16.1-176.4-60.3-174.7000114.1F17 F18 R23 F57 T60 T62 F124 L125F17-L21 HydrophobicContact CD1-CD1 4.48Å; F17-L21 HydrophobicContact CD2-CD1 4.27Å; F17-L21 HydrophobicContact CE1-CD1 3.9Å; F17-L21 HydrophobicContact CE2-CD1 3.66Å; F17-L21 HydrophobicContact CZ-CD1 3.45Å; F17-L21 VanDerWaalsContact CZ-CD1 3.45Å; F17-L21 WeakPolarHBondContact O-CG 3.33Å; F17-L21 PolarHBondContact O-N 3.3Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 WeakPolarHBondContact O-CA 3.37Å; F18-L21 PolarHBondContact O-N 2.92Å; L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 3.19Å; L21-F57 HydrophobicContact CB-CZ 4.42Å; L21-F57 HydrophobicContact CD1-CD2 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.02Å; L21-F57 HydrophobicContact CD2-CD1 3.79Å; L21-F57 HydrophobicContact CD2-CD2 3.68Å; L21-F57 HydrophobicContact CD2-CE1 4.09Å; L21-F57 HydrophobicContact CD2-CE2 3.98Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.18Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; L21-T62 HydrophobicContact CD1-CG2 4.3Å; L21-F124 CarbonylContact O-C 3.48Å; L21-F124 WeakPolarHBondContact O-CA 3.44Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.86Å; L21-L125 HydrophobicContact CG-CD1 4.44Å; L21-L125 PolarHBondContact O-N 2.66Å
22S93.6Very high94.4Very high37 Ų3766.5 Ų66.526%0.25930%0.304SS..THydrogen-bonded Turntrans-75-16.1175.4-54.30000113.4F12 F18 L125F12-S22 WeakPolarHBondContact CZ-OG 3.38Å; F18-S22 PolarHBondContact O-N 2.89Å; F18-S22 PolarHBondContact O-OG 2.92Å; S22-L125 VanDerWaalsContact CA-O 3.29Å; S22-L125 WeakPolarHBondContact CA-O 3.39Å
23R92.8Very high94.4Very high177 Ų17775 Ų7567%0.66834%0.335SS*.SBendtrans-87.1145.8173.9-63.9179.6180-167.5-2.7109L21 C25L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 3.19Å; R23-C25 PolarHBondContact O-N 3.31Å; R23-C25 VanDerWaalsContact O-N 3.07Å; R23-C25 PolarHBondContact O-SG 2.96Å
24E93.4Very high94.5Very high120 Ų12076.1 Ų76.156%0.56134%0.344SS*.  trans-57.5116.9173.4-163.1178.1-165.100109.9M122E24-M122 HydrophobicContact CB-CE 4.47Å; E24-M122 HydrophobicContact CG-CB 3.8Å; E24-M122 HydrophobicContact CG-CE 3.75Å; E24-M122 HydrophobicContact CG-CG 4.46Å; E24-M122 WeakPolarHBondContact OE1-CB 3.23Å
25C93.8Very high94.6Very high18 Ų1876.5 Ų76.512%0.12234%0.337CS..EExtended strand (participates in β ladder)trans-127149.8-174.5-73.30000110.3K20 R23 I27 F57 M122 G123K20-C25 PolarHBondContact O-SG 3.34Å; R23-C25 PolarHBondContact O-N 3.31Å; R23-C25 VanDerWaalsContact O-N 3.07Å; R23-C25 PolarHBondContact O-SG 2.96Å; C25-I27 PolarHBondContact O-N 3.43Å; C25-F57 HydrophobicContact CB-CD1 3.6Å; C25-F57 HydrophobicContact CB-CE1 3.94Å; C25-M122 WeakPolarHBondContact O-CA 3.4Å; C25-G123 PolarHBondContact N-O 3.1Å; C25-G123 PolarHBondContact O-N 3.48Å
26E97.4Very high94.8Very high80 Ų8077 Ų7737%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-62.7133171.6-170.4-171.4164.400109.8K28 V58 G121 M122E26-K28 WeakPolarHBondContact OE1-CE 3.33Å; E26-K28 IonicContact OE1-NZ 3.26Å; E26-K28 PolarHBondContact OE1-NZ 3.16Å; E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.18Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.85Å; E26-V58 PolarHBondContact O-N 2.86Å; E26-G121 WeakPolarHBondContact CA-O 3.5Å; E26-M122 HydrophobicContact CB-SD 4.28Å
27I97.9Very high95Very high0 Ų075.3 Ų75.30%034%0.339CS..EExtended strand (participates in β ladder)trans-125.5155.3175.857.4143.9000111.2C25 I55 A56 F57 W110 I114 D120 G121C25-I27 PolarHBondContact O-N 3.43Å; I27-I55 HydrophobicContact CD1-CG2 4.49Å; I27-I55 HydrophobicContact CG2-CD1 4.27Å; I27-A56 CarbonylContact C-O 3.51Å; I27-A56 WeakPolarHBondContact CA-O 3.07Å; I27-F57 HydrophobicContact CG2-CD1 3.72Å; I27-F57 HydrophobicContact CG2-CE1 3.93Å; I27-F57 HydrophobicContact CG2-CG 4.12Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; I27-W110 HydrophobicContact CD1-CH2 4.09Å; I27-W110 HydrophobicContact CD1-CZ2 3.67Å; I27-I114 HydrophobicContact CD1-CD1 3.81Å; I27-I114 HydrophobicContact CD1-CG1 3.56Å; I27-D120 CarbonylContact O-C 2.96Å; I27-D120 WeakPolarHBondContact O-CA 3.44Å; I27-G121 VanDerWaalsContact CG1-C 3.49Å; I27-G121 WeakPolarHBondContact CG1-O 3.4Å; I27-G121 PolarHBondContact N-O 3.01Å; I27-G121 PolarHBondContact O-N 3.46Å
28K97.8Very high95.2Very high91 Ų9178.8 Ų78.840%0.39636%0.356SS..EExtended strand (participates in β ladder)trans-133.8143.8174.1-67.2-173.6-179.9177.80111.3E26 T30 I55 A56 V58 D120E26-K28 WeakPolarHBondContact OE1-CE 3.33Å; E26-K28 IonicContact OE1-NZ 3.26Å; E26-K28 PolarHBondContact OE1-NZ 3.16Å; K28-T30 PolarHBondContact O-N 3.14Å; K28-I55 CarbonylContact O-C 3.5Å; K28-I55 VanDerWaalsContact O-CA 3.28Å; K28-I55 WeakPolarHBondContact O-CA 3.44Å; K28-A56 PolarHBondContact N-O 3.16Å; K28-A56 PolarHBondContact O-N 3.28Å; K28-V58 HydrophobicContact CB-CG2 4.42Å; K28-V58 HydrophobicContact CD-CG2 3.92Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; K28-D120 HydrophobicContact CG-CB 3.93Å
29Y97.7Very high95.4Very high12 Ų1281 Ų815%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-68.4125.5167.3175.9-115.5000110G31 F32 R40 F44 E54 L119Y29-G31 WeakPolarHBondContact CE1-O 3.34Å; Y29-G31 VanDerWaalsContact CZ-CA 3.46Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.38Å; Y29-R40 PolarHBondContact O-NH2 2.84Å; Y29-F44 HydrophobicContact CD1-CB 4.17Å; Y29-F44 HydrophobicContact CD1-CD2 4.47Å; Y29-F44 HydrophobicContact CD2-CB 4.43Å; Y29-F44 AromaticContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CD2 3.45Å; Y29-F44 VanDerWaalsContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CE2 4.14Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 3.96Å; Y29-F44 HydrophobicContact CE2-CB 4.25Å; Y29-F44 AromaticContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.38Å; Y29-F44 AromaticContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CG 4.36Å; Y29-E54 WeakPolarHBondContact CD2-O 3.41Å; Y29-L119 HydrophobicContact CD1-CD1 4.06Å; Y29-L119 PolarHBondContact N-O 2.99Å
30T96.5Very high95.5Very high31 Ų3175.9 Ų75.919%0.1935%0.347CS..  trans-106.5-1.4-175.249.30000114.3K28 R33 E54 A56K28-T30 PolarHBondContact O-N 3.14Å; T30-R33 VanDerWaalsContact O-CG 3.32Å; T30-R33 WeakPolarHBondContact O-CG 3.34Å; T30-E54 PolarHBondContact N-O 3.5Å; T30-E54 VanDerWaalsContact N-O 3.09Å; T30-E54 PolarHBondContact OG1-O 3Å; T30-A56 HydrophobicContact CG2-CB 3.46Å; T30-A56 VanDerWaalsContact CG2-CB 3.46Å
31G93.9Very high95.7Very high3 Ų373 Ų733%0.03134%0.335CS..THydrogen-bonded Turntrans-71.7149.1176.800000113.2Y29 R33 R40Y29-G31 WeakPolarHBondContact CE1-O 3.34Å; Y29-G31 VanDerWaalsContact CZ-CA 3.46Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.11Å; G31-R40 PolarHBondContact O-NE 3.09Å; G31-R40 PolarHBondContact O-NH2 2.69Å
32F94.3Very high95.9Very high86 Ų8677.9 Ų77.938%0.37736%0.36SS..THydrogen-bonded Turntrans49.243.3171.4-56.6-83000114.5Y29 D34 R35 R40 R43Y29-F32 WeakPolarHBondContact OH-CD2 3.38Å; F32-D34 PolarHBondContact O-N 3.3Å; F32-D34 VanDerWaalsContact O-N 3.15Å; F32-R35 HydrophobicContact CB-CB 4.18Å; F32-R35 HydrophobicContact CB-CG 3.85Å; F32-R35 HydrophobicContact CD1-CG 4.34Å; F32-R35 WeakPolarHBondContact O-CB 3.24Å; F32-R35 PolarHBondContact O-N 3.49Å; F32-R40 HydrophobicContact CB-CG 4.25Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.16Å; F32-R40 PolarHBondContact O-NE 2.8Å; F32-R43 HydrophobicContact CD2-CB 3.97Å; F32-R43 VanDerWaalsContact CD2-CD 3.48Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.35Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å
33R93.4Very high96Very high200 Ų20080.7 Ų80.776%0.75536%0.364SS*.THydrogen-bonded Turntrans-63.1-18.6-177.4-65.6-179.669.8-170.60.5113.9T30 G31 R35T30-R33 VanDerWaalsContact O-CG 3.32Å; T30-R33 WeakPolarHBondContact O-CG 3.34Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.11Å; R33-R35 VanDerWaalsContact C-N 3.3Å
34D95.8Very high96.2Very high122 Ų12272.3 Ų72.365%0.65233%0.333SS*.THydrogen-bonded Turntrans-77.8-10.7174.861.8-55.3000113.7F32F32-D34 PolarHBondContact O-N 3.3Å; F32-D34 VanDerWaalsContact O-N 3.15Å
35R96.6Very high96.3Very high117 Ų11768.8 Ų68.844%0.44232%0.316SS..SBendtrans-100.6156.4-172.8-58.5-63.9167.6153.3-1.4113.3F32 R33 E39 R40F32-R35 HydrophobicContact CB-CB 4.18Å; F32-R35 HydrophobicContact CB-CG 3.85Å; F32-R35 HydrophobicContact CD1-CG 4.34Å; F32-R35 WeakPolarHBondContact O-CB 3.24Å; F32-R35 PolarHBondContact O-N 3.49Å; R33-R35 VanDerWaalsContact C-N 3.3Å; R35-E39 HydrophobicContact CB-CB 4.42Å; R35-R40 HydrophobicContact CB-CG 4.12Å; R35-R40 WeakPolarHBondContact O-CD 3.34Å
36P97.5Very high96.3Very high86 Ų8672 Ų7256%0.55833%0.332SS*.  trans-54.9147.1171.8-24.434.6000112.3E38 E39 R40P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 2.91Å; P36-E39 WeakPolarHBondContact O-CB 3.2Å; P36-E39 PolarHBondContact O-N 2.85Å; P36-R40 WeakPolarHBondContact O-CG 3.04Å; P36-R40 PolarHBondContact O-N 3.42Å
37H96.4Very high96.1Very high90 Ų9068.9 Ų68.942%0.41732%0.321SS..Hα-helixtrans-56.7-43.4-173.4-170.765.6000113.6E39 R40 Q41 Q117H37-E39 VanDerWaalsContact C-N 3.33Å; H37-E39 PolarHBondContact O-N 2.81Å; H37-R40 WeakPolarHBondContact O-CB 3.21Å; H37-R40 PolarHBondContact O-N 2.93Å; H37-R40 VanDerWaalsContact O-N 3.12Å; H37-Q41 PolarHBondContact CD2-NE2 3.38Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.34Å; H37-Q41 PolarHBondContact NE2-NE2 2.8Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.19Å; H37-Q41 WeakPolarHBondContact O-CG 3.46Å; H37-Q41 PolarHBondContact O-N 2.97Å; H37-Q117 PolarHBondContact CE1-O 2.86Å; H37-Q117 VanDerWaalsContact CE1-O 3.31Å; H37-Q117 PolarHBondContact NE2-O 3.33Å
38E96.8Very high95.8Very high137 Ų13768.9 Ų68.964%0.6432%0.321SS*.Hα-helixtrans-61-40.2176.8-172.3177.3-168.100112.4P36 R40 Q41 M42P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 2.91Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.07Å; E38-Q41 PolarHBondContact O-N 2.75Å; E38-M42 PolarHBondContact O-N 3.12Å; E38-M42 VanDerWaalsContact O-N 3.13Å
39E97Very high95.5Very high47 Ų4770.1 Ų70.122%0.2232%0.323CS..Hα-helixtrans-64.8-40175-167.3-174.6158.300110.9R35 P36 H37 Q41 M42 R43R35-E39 HydrophobicContact CB-CB 4.42Å; P36-E39 WeakPolarHBondContact O-CB 3.2Å; P36-E39 PolarHBondContact O-N 2.85Å; H37-E39 VanDerWaalsContact C-N 3.33Å; H37-E39 PolarHBondContact O-N 2.81Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.8Å; E39-M42 PolarHBondContact O-N 2.86Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.23Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.29Å; E39-R43 PolarHBondContact O-N 2.76Å; E39-R43 IonicContact OE1-CZ 3.29Å; E39-R43 IonicContact OE1-NE 3.04Å; E39-R43 PolarHBondContact OE1-NE 3.49Å; E39-R43 IonicContact OE1-NH2 3.81Å; E39-R43 PolarHBondContact OE1-NH2 2.83Å
40R97.3Very high95.2Very high37 Ų3774.3 Ų74.314%0.1435%0.346CS..Hα-helixtrans-62.9-40.6176.3-62.5-178.870.7-138.9-5.2111.7Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119Y29-R40 PolarHBondContact O-NH2 2.84Å; G31-R40 PolarHBondContact O-NE 3.09Å; G31-R40 PolarHBondContact O-NH2 2.69Å; F32-R40 HydrophobicContact CB-CG 4.25Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.16Å; F32-R40 PolarHBondContact O-NE 2.8Å; R35-R40 HydrophobicContact CB-CG 4.12Å; R35-R40 WeakPolarHBondContact O-CD 3.34Å; P36-R40 WeakPolarHBondContact O-CG 3.04Å; P36-R40 PolarHBondContact O-N 3.42Å; H37-R40 WeakPolarHBondContact O-CB 3.21Å; H37-R40 PolarHBondContact O-N 2.93Å; H37-R40 VanDerWaalsContact O-N 3.12Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.07Å; R40-R43 PolarHBondContact O-N 2.94Å; R40-F44 VanDerWaalsContact O-CB 3.3Å; R40-F44 WeakPolarHBondContact O-CB 3.34Å; R40-F44 PolarHBondContact O-N 2.85Å; R40-L119 HydrophobicContact CB-CD1 3.64Å
41Q97.1Very high94.9Very high42 Ų4272.9 Ų72.920%0.19634%0.337CS..Hα-helixtrans-60.7-49.1176.8-67.4168.8-24.700111.5H37 E38 E39 R43 F44 Q45 L116 Q117 L119H37-Q41 PolarHBondContact CD2-NE2 3.38Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.34Å; H37-Q41 PolarHBondContact NE2-NE2 2.8Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.19Å; H37-Q41 WeakPolarHBondContact O-CG 3.46Å; H37-Q41 PolarHBondContact O-N 2.97Å; E38-Q41 PolarHBondContact O-N 2.75Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.8Å; Q41-R43 PolarHBondContact O-N 2.8Å; Q41-F44 PolarHBondContact O-N 3.43Å; Q41-Q45 WeakPolarHBondContact O-CG 3.33Å; Q41-Q45 PolarHBondContact O-N 3.47Å; Q41-L116 WeakPolarHBondContact CG-O 3.49Å; Q41-Q117 PolarHBondContact NE2-O 2.79Å; Q41-L119 HydrophobicContact CG-CD1 4.07Å; Q41-L119 HydrophobicContact CG-CD2 4.19Å; Q41-L119 HydrophobicContact CG-CG 4.16Å
42M96.4Very high94.9Very high103 Ų10380.4 Ų80.451%0.50737%0.365SS..Hα-helixtrans-61.7-44.4177.4-69.7-170.8-72.400111.7E38 E39 Q45 N46E38-M42 PolarHBondContact O-N 3.12Å; E38-M42 VanDerWaalsContact O-N 3.13Å; E39-M42 PolarHBondContact O-N 2.86Å; M42-Q45 PolarHBondContact O-N 2.93Å; M42-N46 WeakPolarHBondContact O-CB 3.19Å; M42-N46 VanDerWaalsContact O-CG 3.24Å; M42-N46 PolarHBondContact O-N 2.97Å; M42-N46 PolarHBondContact O-ND2 3.49Å
43R96.2Very high94.9Very high96 Ų9676.7 Ų76.736%0.36235%0.349SS..Hα-helixtrans-64.5-41.9178.8-74.2-178.4-179.7-76.5-2.3112.5F32 E39 R40 Q41 N46 A47F32-R43 HydrophobicContact CD2-CB 3.97Å; F32-R43 VanDerWaalsContact CD2-CD 3.48Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.35Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.23Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.29Å; E39-R43 PolarHBondContact O-N 2.76Å; E39-R43 IonicContact OE1-CZ 3.29Å; E39-R43 IonicContact OE1-NE 3.04Å; E39-R43 PolarHBondContact OE1-NE 3.49Å; E39-R43 IonicContact OE1-NH2 3.81Å; E39-R43 PolarHBondContact OE1-NH2 2.83Å; R40-R43 PolarHBondContact O-N 2.94Å; Q41-R43 PolarHBondContact O-N 2.8Å; R43-N46 PolarHBondContact O-N 3.4Å; R43-A47 WeakPolarHBondContact O-CB 3.2Å; R43-A47 PolarHBondContact O-N 3.41Å
44F96.6Very high95Very high0 Ų071.9 Ų71.90%034%0.335CS..Hα-helixtrans-61.2-47.2176.3169.1-106.1000111.4Y29 R40 Q41 A47 S48 S53 V95 L97 I114 L116 L119Y29-F44 HydrophobicContact CD1-CB 4.17Å; Y29-F44 HydrophobicContact CD1-CD2 4.47Å; Y29-F44 HydrophobicContact CD2-CB 4.43Å; Y29-F44 AromaticContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CD2 3.45Å; Y29-F44 VanDerWaalsContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CE2 4.14Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 3.96Å; Y29-F44 HydrophobicContact CE2-CB 4.25Å; Y29-F44 AromaticContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.38Å; Y29-F44 AromaticContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CG 4.36Å; R40-F44 VanDerWaalsContact O-CB 3.3Å; R40-F44 WeakPolarHBondContact O-CB 3.34Å; R40-F44 PolarHBondContact O-N 2.85Å; Q41-F44 PolarHBondContact O-N 3.43Å; F44-A47 PolarHBondContact O-N 3.06Å; F44-S48 WeakPolarHBondContact O-CB 3.45Å; F44-S48 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-OG 3.42Å; F44-S53 WeakPolarHBondContact CD2-OG 3.4Å; F44-S53 WeakPolarHBondContact CE2-OG 2.9Å; F44-V95 HydrophobicContact CE1-CG1 3.59Å; F44-V95 HydrophobicContact CZ-CG1 3.6Å; F44-L97 HydrophobicContact CE2-CD1 4.5Å; F44-L97 HydrophobicContact CZ-CD1 4.18Å; F44-I114 HydrophobicContact CE1-CB 4.22Å; F44-I114 HydrophobicContact CE1-CG2 3.81Å; F44-I114 HydrophobicContact CE2-CD1 3.67Å; F44-I114 HydrophobicContact CE2-CG2 4.38Å; F44-I114 HydrophobicContact CZ-CB 3.77Å; F44-I114 HydrophobicContact CZ-CD1 3.63Å; F44-I114 HydrophobicContact CZ-CG1 4.26Å; F44-I114 HydrophobicContact CZ-CG2 3.67Å; F44-L116 HydrophobicContact CD1-CD2 4.31Å; F44-L116 HydrophobicContact CE1-CD2 3.89Å; F44-L119 HydrophobicContact CB-CD2 4.04Å; F44-L119 HydrophobicContact CD1-CD2 3.78Å; F44-L119 HydrophobicContact CG-CD2 4.01Å
45Q94.9Very high95Very high47 Ų4766 Ų6622%0.2230%0.304CS..Hα-helixtrans-62.2-45.3178.4-72.9-18053.900111.9Q41 M42 S48 R49 F88 L116Q41-Q45 WeakPolarHBondContact O-CG 3.33Å; Q41-Q45 PolarHBondContact O-N 3.47Å; M42-Q45 PolarHBondContact O-N 2.93Å; Q45-S48 PolarHBondContact O-N 2.97Å; Q45-R49 WeakPolarHBondContact O-CG 3.32Å; Q45-R49 PolarHBondContact O-N 2.79Å; Q45-F88 HydrophobicContact CG-CE1 4.37Å; Q45-L116 HydrophobicContact CG-CD2 3.97Å
46N94.3Very high95.1Very high84 Ų8461 Ų6145%0.44929%0.288SS..Hα-helixtrans-65.1-46.4178.4-69.4-14.7000111.6M42 R43 S48 R49 D50M42-N46 WeakPolarHBondContact O-CB 3.19Å; M42-N46 VanDerWaalsContact O-CG 3.24Å; M42-N46 PolarHBondContact O-N 2.97Å; M42-N46 PolarHBondContact O-ND2 3.49Å; R43-N46 PolarHBondContact O-N 3.4Å; N46-S48 VanDerWaalsContact C-N 3.28Å; N46-S48 PolarHBondContact O-N 2.85Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 PolarHBondContact O-N 3.39Å; N46-R49 VanDerWaalsContact O-N 3.15Å; N46-D50 VanDerWaalsContact O-CG 3.27Å; N46-D50 PolarHBondContact O-N 3.13Å
47A93.1Very high95Very high16 Ų1657 Ų5713%0.13226%0.261CS..Hα-helixtrans-60.4-40.517700000111.7R43 F44 R49 D50 G51 R52R43-A47 WeakPolarHBondContact O-CB 3.2Å; R43-A47 PolarHBondContact O-N 3.41Å; F44-A47 PolarHBondContact O-N 3.06Å; A47-R49 VanDerWaalsContact C-N 3.35Å; A47-R49 PolarHBondContact O-N 3.31Å; A47-D50 CarbonylContact O-C 3.57Å; A47-D50 WeakPolarHBondContact O-CA 3.28Å; A47-D50 WeakPolarHBondContact O-CB 3.4Å; A47-D50 PolarHBondContact O-N 3.5Å; A47-D50 VanDerWaalsContact O-N 3.07Å; A47-G51 PolarHBondContact O-N 3.1Å; A47-G51 VanDerWaalsContact O-N 3.08Å; A47-R52 CarbonylContact C-O 3.44Å; A47-R52 HydrophobicContact CB-CG 4.39Å; A47-R52 WeakPolarHBondContact CB-O 3.22Å; A47-R52 PolarHBondContact O-N 3.24Å
48S93.3Very high94.9Very high0 Ų055.7 Ų55.70%026%0.26CS..Hα-helixtrans-63.5-40.9176.7-57.40000111.6F44 Q45 N46 D50 G51 R52F44-S48 WeakPolarHBondContact O-CB 3.45Å; F44-S48 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-OG 3.42Å; Q45-S48 PolarHBondContact O-N 2.97Å; N46-S48 VanDerWaalsContact C-N 3.28Å; N46-S48 PolarHBondContact O-N 2.85Å; S48-D50 VanDerWaalsContact C-N 3.29Å; S48-D50 PolarHBondContact O-N 2.96Å; S48-G51 PolarHBondContact O-N 3.4Å; S48-G51 VanDerWaalsContact O-N 3.08Å; S48-R52 PolarHBondContact N-O 2.93Å
49R91.3Very high94.6Very high117 Ų11753.2 Ų53.244%0.44226%0.263SS..Hα-helixtrans-67.3-27.1171.8-69.1175.5-173.8131.24.7113.3Q45 N46 A47 G51 P81 F88Q45-R49 WeakPolarHBondContact O-CG 3.32Å; Q45-R49 PolarHBondContact O-N 2.79Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 PolarHBondContact O-N 3.39Å; N46-R49 VanDerWaalsContact O-N 3.15Å; A47-R49 VanDerWaalsContact C-N 3.35Å; A47-R49 PolarHBondContact O-N 3.31Å; R49-G51 PolarHBondContact O-N 2.94Å; R49-P81 WeakPolarHBondContact O-CD 3.14Å; R49-F88 HydrophobicContact CG-CE2 3.75Å; R49-F88 HydrophobicContact CG-CZ 4.07Å
50D90.4Very high94.3Very high99 Ų9953.7 Ų53.753%0.52927%0.269SS..THydrogen-bonded Turntrans-80-2.7172.4-66-20.5000112.5N46 A47 S48N46-D50 VanDerWaalsContact O-CG 3.27Å; N46-D50 PolarHBondContact O-N 3.13Å; A47-D50 CarbonylContact O-C 3.57Å; A47-D50 WeakPolarHBondContact O-CA 3.28Å; A47-D50 WeakPolarHBondContact O-CB 3.4Å; A47-D50 PolarHBondContact O-N 3.5Å; A47-D50 VanDerWaalsContact O-N 3.07Å; S48-D50 VanDerWaalsContact C-N 3.29Å; S48-D50 PolarHBondContact O-N 2.96Å
51G90.5Very high94.1Very high1 Ų154.3 Ų54.31%0.0129%0.287CS..THydrogen-bonded Turntrans85.522.6176.300000115.1A47 S48 R49 Q67 F68A47-G51 PolarHBondContact O-N 3.1Å; A47-G51 VanDerWaalsContact O-N 3.08Å; S48-G51 PolarHBondContact O-N 3.4Å; S48-G51 VanDerWaalsContact O-N 3.08Å; R49-G51 PolarHBondContact O-N 2.94Å; G51-Q67 WeakPolarHBondContact O-CA 3.44Å; G51-F68 PolarHBondContact O-N 2.79Å
52R92.7Very high93.9Very high162 Ų16253.6 Ų53.661%0.61129%0.286SS*.EExtended strand (participates in β ladder)trans-143.6150.7178.461.4-178.7177.2167.9-0.7113.4A47 S48 L66A47-R52 CarbonylContact C-O 3.44Å; A47-R52 HydrophobicContact CB-CG 4.39Å; A47-R52 WeakPolarHBondContact CB-O 3.22Å; A47-R52 PolarHBondContact O-N 3.24Å; S48-R52 PolarHBondContact N-O 2.93Å; R52-L66 VanDerWaalsContact CA-O 3.3Å; R52-L66 WeakPolarHBondContact CA-O 3.48Å
53S94.9Very high93.9Very high8 Ų854 Ų546%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-158.3167.9170.5-158.70000111.8F44 L66F44-S53 WeakPolarHBondContact CD2-OG 3.4Å; F44-S53 WeakPolarHBondContact CE2-OG 2.9Å; S53-L66 PolarHBondContact N-O 3.41Å; S53-L66 PolarHBondContact O-N 3.39Å
54E95.6Very high93.8Very high98 Ų9850 Ų5046%0.45828%0.276SS..EExtended strand (participates in β ladder)trans-126.3121.2176.9-68178.8179.600109.1Y29 T30Y29-E54 WeakPolarHBondContact CD2-O 3.41Å; T30-E54 PolarHBondContact N-O 3.5Å; T30-E54 VanDerWaalsContact N-O 3.09Å; T30-E54 PolarHBondContact OG1-O 3Å
55I97Very high93.7Very high0 Ų054.4 Ų54.40%031%0.306CS..EExtended strand (participates in β ladder)trans-129.6159.5-178.865.783.9000110.6I27 K28 F57 N63 L64 L66 W110 I114I27-I55 HydrophobicContact CD1-CG2 4.49Å; I27-I55 HydrophobicContact CG2-CD1 4.27Å; K28-I55 CarbonylContact O-C 3.5Å; K28-I55 VanDerWaalsContact O-CA 3.28Å; K28-I55 WeakPolarHBondContact O-CA 3.44Å; I55-F57 HydrophobicContact CD1-CD2 4.26Å; I55-F57 HydrophobicContact CD1-CE2 4.24Å; I55-N63 CarbonylContact O-C 3.53Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; I55-L64 HydrophobicContact CD1-CB 4.04Å; I55-L64 HydrophobicContact CD1-CD1 4.3Å; I55-L64 HydrophobicContact CD1-CG 4.41Å; I55-L64 HydrophobicContact CG1-CB 4.38Å; I55-L64 PolarHBondContact N-O 3.44Å; I55-L64 PolarHBondContact O-N 3.16Å; I55-L66 HydrophobicContact CG1-CD1 3.69Å; I55-L66 HydrophobicContact CG1-CD2 4.45Å; I55-L66 HydrophobicContact CG1-CG 4.03Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; I55-W110 HydrophobicContact CD1-CZ2 4.42Å; I55-W110 HydrophobicContact CG1-CZ2 4.35Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å
56A97.3Very high93.7Very high12 Ų1252.4 Ų52.410%0.09930%0.297CS..EExtended strand (participates in β ladder)trans-128.8138168.600000111.4I27 K28 T30 V58 T62 N63I27-A56 CarbonylContact C-O 3.51Å; I27-A56 WeakPolarHBondContact CA-O 3.07Å; K28-A56 PolarHBondContact N-O 3.16Å; K28-A56 PolarHBondContact O-N 3.28Å; T30-A56 HydrophobicContact CG2-CB 3.46Å; T30-A56 VanDerWaalsContact CG2-CB 3.46Å; A56-V58 PolarHBondContact O-N 2.86Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.5Å; A56-N63 WeakPolarHBondContact CB-OD1 3.13Å
57F96.3Very high93.5Very high0 Ų054 Ų540%030%0.302CS..EExtended strand (participates in β ladder)trans-71.3118.6164-75.8-85.8000109.3L21 C25 I27 I55 T60 G61 T62 L64 W110 G123L21-F57 HydrophobicContact CB-CZ 4.42Å; L21-F57 HydrophobicContact CD1-CD2 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.02Å; L21-F57 HydrophobicContact CD2-CD1 3.79Å; L21-F57 HydrophobicContact CD2-CD2 3.68Å; L21-F57 HydrophobicContact CD2-CE1 4.09Å; L21-F57 HydrophobicContact CD2-CE2 3.98Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.18Å; C25-F57 HydrophobicContact CB-CD1 3.6Å; C25-F57 HydrophobicContact CB-CE1 3.94Å; I27-F57 HydrophobicContact CG2-CD1 3.72Å; I27-F57 HydrophobicContact CG2-CE1 3.93Å; I27-F57 HydrophobicContact CG2-CG 4.12Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; I55-F57 HydrophobicContact CD1-CD2 4.26Å; I55-F57 HydrophobicContact CD1-CE2 4.24Å; F57-T60 WeakPolarHBondContact CB-OG1 3.46Å; F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.22Å; F57-G61 PolarHBondContact O-N 2.9Å; F57-T62 PolarHBondContact N-O 3.29Å; F57-T62 PolarHBondContact O-N 2.93Å; F57-L64 HydrophobicContact CD2-CD1 4.29Å; F57-L64 HydrophobicContact CE2-CD1 3.64Å; F57-L64 HydrophobicContact CE2-CG 4.42Å; F57-W110 AromaticContact CE2-CD1 3.94Å; F57-W110 AromaticContact CE2-NE1 3.81Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.48Å; F57-G123 WeakPolarHBondContact CE1-O 3.3Å
58V94.7Very high93.3Very high63 Ų6353.2 Ų53.238%0.38230%0.295SS..THydrogen-bonded Turntrans-66.3-42.5-174.71780000111.1E26 K28 A56 T60E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.18Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.85Å; E26-V58 PolarHBondContact O-N 2.86Å; K28-V58 HydrophobicContact CB-CG2 4.42Å; K28-V58 HydrophobicContact CD-CG2 3.92Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; A56-V58 PolarHBondContact O-N 2.86Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.82Å
59A88.6Confident92.8Very high86 Ų8655.1 Ų55.171%0.71130%0.303SS*.THydrogen-bonded Turntrans-65-35.4-176.300000113.3
60T91.3Very high91.8Very high57 Ų5750.9 Ų50.935%0.3529%0.291SS..THydrogen-bonded Turntrans-105.7-13.5-176.461.80000113.4K20 L21 F57 V58 T62K20-T60 HydrophobicContact CB-CG2 4.23Å; K20-T60 HydrophobicContact CD-CG2 4.31Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; F57-T60 WeakPolarHBondContact CB-OG1 3.46Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.82Å; T60-T62 WeakPolarHBondContact CB-OG1 3.4Å; T60-T62 PolarHBondContact O-N 3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.31Å; T60-T62 PolarHBondContact OG1-N 2.93Å; T60-T62 PolarHBondContact OG1-OG1 2.69Å
61G92.7Very high90.5Very high49 Ų4947.9 Ų47.951%0.50528%0.28SS..THydrogen-bonded Turntrans67.313.4-170.400000113.8F57 N63F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.22Å; F57-G61 PolarHBondContact O-N 2.9Å; G61-N63 PolarHBondContact O-N 2.98Å
62T94.1Very high88.9Confident28 Ų2854.1 Ų54.117%0.17231%0.313CS..EExtended strand (participates in β ladder)trans-76117.4-177.5-53.70000110.3F17 L21 A56 F57 T60 L64F17-T62 HydrophobicContact CE2-CG2 3.99Å; F17-T62 HydrophobicContact CZ-CG2 4.17Å; L21-T62 HydrophobicContact CD1-CG2 4.3Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.5Å; F57-T62 PolarHBondContact N-O 3.29Å; F57-T62 PolarHBondContact O-N 2.93Å; T60-T62 WeakPolarHBondContact CB-OG1 3.4Å; T60-T62 PolarHBondContact O-N 3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.31Å; T60-T62 PolarHBondContact OG1-N 2.93Å; T60-T62 PolarHBondContact OG1-OG1 2.69Å; T62-L64 HydrophobicContact CG2-CD2 4.3Å
63N95.3Very high87.3Confident110 Ų11053.1 Ų53.159%0.58831%0.31SS*.EExtended strand (participates in β ladder)trans-87.6136.9173.7-61-76.6000110.5I55 A56 G61I55-N63 CarbonylContact O-C 3.53Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; A56-N63 WeakPolarHBondContact CB-OD1 3.13Å; G61-N63 PolarHBondContact O-N 2.98Å
64L94.8Very high85.2Confident14 Ų1461.2 Ų61.27%0.07335%0.346CS..EExtended strand (participates in β ladder)trans-128.2130.7173.9-63.1-176.5000110.2I55 F57 T62 L66 L103I55-L64 HydrophobicContact CD1-CB 4.04Å; I55-L64 HydrophobicContact CD1-CD1 4.3Å; I55-L64 HydrophobicContact CD1-CG 4.41Å; I55-L64 HydrophobicContact CG1-CB 4.38Å; I55-L64 PolarHBondContact N-O 3.44Å; I55-L64 PolarHBondContact O-N 3.16Å; F57-L64 HydrophobicContact CD2-CD1 4.29Å; F57-L64 HydrophobicContact CE2-CD1 3.64Å; F57-L64 HydrophobicContact CE2-CG 4.42Å; T62-L64 HydrophobicContact CG2-CD2 4.3Å; L64-L66 HydrophobicContact CB-CD2 3.91Å; L64-L66 HydrophobicContact CD1-CD2 4.33Å; L64-L103 HydrophobicContact CD2-CD1 4.39Å; L64-L103 HydrophobicContact CD2-CD2 4.45Å
65S94.8Very high83.1Confident91 Ų9159.2 Ų59.264%0.63635%0.351SS*.EExtended strand (participates in β ladder)trans-89.5113.8163.5-58.80000108.2
66L94.1Very high80.7Confident5 Ų569.1 Ų69.13%0.02640%0.398CS..EExtended strand (participates in β ladder)trans-95.3139.9-176.5-56-177000110.6R52 S53 I55 L64 F68 A99 M101 W110R52-L66 VanDerWaalsContact CA-O 3.3Å; R52-L66 WeakPolarHBondContact CA-O 3.48Å; S53-L66 PolarHBondContact N-O 3.41Å; S53-L66 PolarHBondContact O-N 3.39Å; I55-L66 HydrophobicContact CG1-CD1 3.69Å; I55-L66 HydrophobicContact CG1-CD2 4.45Å; I55-L66 HydrophobicContact CG1-CG 4.03Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; L64-L66 HydrophobicContact CB-CD2 3.91Å; L64-L66 HydrophobicContact CD1-CD2 4.33Å; L66-F68 HydrophobicContact CB-CE1 3.72Å; L66-F68 HydrophobicContact CB-CZ 3.94Å; L66-F68 HydrophobicContact CD1-CE1 3.96Å; L66-F68 HydrophobicContact CD1-CZ 4.19Å; L66-A99 HydrophobicContact CB-CB 4.04Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.47Å; L66-M101 HydrophobicContact CD2-CE 3.61Å; L66-W110 HydrophobicContact CD1-CD2 3.75Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.23Å; L66-W110 HydrophobicContact CD1-CZ3 3.44Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.44Å; L66-W110 HydrophobicContact CD2-CB 4.22Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 4.03Å; L66-W110 HydrophobicContact CG-CE3 4.46Å
67Q91.9Very high78.6Confident118 Ų11875.6 Ų75.655%0.55143%0.426SS*.EExtended strand (participates in β ladder)trans-123.5127.3169.7-171.8171.711.500108.8G51 F69 A99G51-Q67 WeakPolarHBondContact O-CA 3.44Å; Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.35Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 3.49Å; Q67-A99 WeakPolarHBondContact O-CB 3.36Å
68F88.5Confident76.8Confident0 Ų087.6 Ų87.60%047%0.471CS..  trans-97.138.8-172.6-52.6-49.5000111.6G51 L66 P81 Y85 V86 L97 K98 A99G51-F68 PolarHBondContact O-N 2.79Å; L66-F68 HydrophobicContact CB-CE1 3.72Å; L66-F68 HydrophobicContact CB-CZ 3.94Å; L66-F68 HydrophobicContact CD1-CE1 3.96Å; L66-F68 HydrophobicContact CD1-CZ 4.19Å; F68-P81 HydrophobicContact CB-CB 4.04Å; F68-P81 WeakPolarHBondContact O-CB 3.48Å; F68-Y85 WeakPolarHBondContact O-CB 3.13Å; F68-V86 HydrophobicContact CB-CG2 3.71Å; F68-V86 HydrophobicContact CD1-CG2 4.46Å; F68-V86 HydrophobicContact CD2-CG2 3.59Å; F68-V86 HydrophobicContact CE2-CG2 4.37Å; F68-V86 HydrophobicContact CG-CG2 3.67Å; F68-L97 HydrophobicContact CD2-CD2 4.49Å; F68-L97 HydrophobicContact CE1-CB 4.04Å; F68-L97 HydrophobicContact CE1-CD1 4.42Å; F68-L97 HydrophobicContact CE1-CD2 4.12Å; F68-L97 HydrophobicContact CE1-CG 4.43Å; F68-L97 HydrophobicContact CE2-CD2 4.03Å; F68-L97 HydrophobicContact CZ-CB 4.37Å; F68-L97 HydrophobicContact CZ-CD1 3.95Å; F68-L97 HydrophobicContact CZ-CD2 3.83Å; F68-L97 HydrophobicContact CZ-CG 4.28Å; F68-K98 WeakPolarHBondContact CD1-O 3.44Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.05Å
69F82.6Confident75.3Confident39 Ų3989.2 Ų89.217%0.17148%0.475CS..SBendtrans-129.3154.4178.4-61.7-74.4000109.8Q67 Q79 P81 P100Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.35Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 3.49Å; F69-Q79 WeakPolarHBondContact CE1-O 3.4Å; F69-Q79 WeakPolarHBondContact CZ-O 3.46Å; F69-P81 HydrophobicContact CE1-CB 4.25Å; F69-P100 WeakPolarHBondContact O-CG 3.27Å
70P70.3Confident74.6Confident29 Ų2990.6 Ų90.619%0.18847%0.474CS..  trans-64.3144.5170.6-15.331.1000109.8N72 W73 Y85P70-N72 WeakPolarHBondContact CB-OD1 3.45Å; P70-N72 PolarHBondContact O-N 3.03Å; P70-N72 VanDerWaalsContact O-N 3.13Å; P70-W73 HydrophobicContact CB-CE3 3.71Å; P70-W73 HydrophobicContact CB-CZ3 4.15Å; P70-W73 HydrophobicContact CG-CD2 4.36Å; P70-W73 HydrophobicContact CG-CE3 3.37Å; P70-W73 HydrophobicContact CG-CZ3 3.53Å; P70-W73 VanDerWaalsContact O-CB 3.31Å; P70-W73 WeakPolarHBondContact O-CB 3.46Å; P70-W73 PolarHBondContact O-N 2.87Å; P70-W73 VanDerWaalsContact O-N 3.09Å; P70-Y85 HydrophobicContact CG-CE2 4.12Å
71A61.9Low74.2Confident36 Ų3688.8 Ų88.830%0.29846%0.464SS..THydrogen-bonded Turntrans-73-8.6-166.900000116.3
72N57.7Low74Confident131 Ų13190.1 Ų90.170%0.70146%0.462SS*.THydrogen-bonded Turntrans-92.41.7174.155.6-8.9000112.8P70 H74P70-N72 WeakPolarHBondContact CB-OD1 3.45Å; P70-N72 PolarHBondContact O-N 3.03Å; P70-N72 VanDerWaalsContact O-N 3.13Å; N72-H74 PolarHBondContact O-N 2.89Å; N72-H74 VanDerWaalsContact O-N 3.08Å
73W59Low73.7Confident142 Ų14295.8 Ų95.854%0.53848%0.48SS..  trans-86.972.2-176.5-126.1-79000111.8P70P70-W73 HydrophobicContact CB-CE3 3.71Å; P70-W73 HydrophobicContact CB-CZ3 4.15Å; P70-W73 HydrophobicContact CG-CD2 4.36Å; P70-W73 HydrophobicContact CG-CE3 3.37Å; P70-W73 HydrophobicContact CG-CZ3 3.53Å; P70-W73 VanDerWaalsContact O-CB 3.31Å; P70-W73 WeakPolarHBondContact O-CB 3.46Å; P70-W73 PolarHBondContact O-N 2.87Å; P70-W73 VanDerWaalsContact O-N 3.09Å
74H52.1Low73.5Confident178 Ų17896 Ų9682%0.82448%0.478SS*.  trans-97.390.1167.1-73.7-72.3000109.3N72N72-H74 PolarHBondContact O-N 2.89Å; N72-H74 VanDerWaalsContact O-N 3.08Å
75G50.8Low73.4Confident55 Ų5596.9 Ų96.957%0.56748%0.481SS*.  trans-146.6137.3176.900000112.3Q77G75-Q77 PolarHBondContact O-N 2.77Å
76E47.3Very low73.4Confident209 Ų20993.1 Ų93.198%0.97745%0.454SS*.SBendtrans-61.60.8-177-110.6167161.700116.1
77Q53.1Low73.5Confident147 Ų14794.1 Ų94.169%0.68746%0.459SS*.SBendtrans-89.7121.6178.9-71.8-75.4-12.600109.2G75 Q79G75-Q77 PolarHBondContact O-N 2.77Å; Q77-Q79 HydrophobicContact CB-CG 4.06Å; Q77-Q79 PolarHBondContact O-N 3.02Å
78R56.8Low73.7Confident253 Ų25390.7 Ų90.796%0.95544%0.442SS*.  trans-62.780.7168.8-71.7-175.1-176.9-165.21.5109.2
79Q63.6Low74Confident96 Ų9696.6 Ų96.645%0.44947%0.474SS..PPolyproline II helixtrans-91.4137.5176.5-74.9177.46.300109.2F69 Q77F69-Q79 WeakPolarHBondContact CE1-O 3.4Å; F69-Q79 WeakPolarHBondContact CZ-O 3.46Å; Q77-Q79 HydrophobicContact CB-CG 4.06Å; Q77-Q79 PolarHBondContact O-N 3.02Å
80T74.6Confident74.5Confident115 Ų115102.5 Ų102.571%0.70650%0.495SS*.PPolyproline II helixtrans-77.9140.2175.847.90000109.9
81P82.9Confident75.7Confident19 Ų19104.6 Ų104.612%0.12350%0.502CS..PPolyproline II helixtrans-57.8143.6175.728.7-35000109.9R49 F68 F69 V86R49-P81 WeakPolarHBondContact O-CD 3.14Å; F68-P81 HydrophobicContact CB-CB 4.04Å; F68-P81 WeakPolarHBondContact O-CB 3.48Å; F69-P81 HydrophobicContact CE1-CB 4.25Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.83Å; P81-V86 HydrophobicContact CG-CB 4.23Å; P81-V86 HydrophobicContact CG-CG2 3.74Å
82T87.6Confident77.3Confident78 Ų78108.8 Ų108.848%0.47953%0.53SS..PPolyproline II helixtrans-72.7162.517766.10000110.4E84 Y85 V86T82-E84 PolarHBondContact O-N 3.37Å; T82-E84 VanDerWaalsContact O-N 3.1Å; T82-Y85 PolarHBondContact O-N 3.46Å; T82-Y85 VanDerWaalsContact OG1-CD2 3.26Å; T82-Y85 WeakPolarHBondContact OG1-CD2 3.4Å; T82-V86 PolarHBondContact O-N 2.76Å; T82-V86 VanDerWaalsContact O-N 3.09Å
83R88.9Confident79Confident146 Ų146104.1 Ų104.155%0.55151%0.512SS*.THydrogen-bonded Turntrans-59.3-21.7176.6-172173.9170.2168.70.3113.5Y85 V86 D87 D89R83-Y85 VanDerWaalsContact C-N 3.29Å; R83-Y85 PolarHBondContact O-N 2.86Å; R83-V86 WeakPolarHBondContact CA-O 3.34Å; R83-D87 HydrophobicContact CG-CB 4.14Å; R83-D87 IonicContact CZ-OD1 3.47Å; R83-D87 IonicContact CZ-OD2 3.67Å; R83-D87 IonicContact NE-OD1 3.91Å; R83-D87 PolarHBondContact NE-OD1 2.9Å; R83-D87 IonicContact NE-OD2 3.97Å; R83-D87 PolarHBondContact NE-OD2 3.46Å; R83-D87 IonicContact NH2-OD1 2.97Å; R83-D87 IonicContact NH2-OD2 3.78Å; R83-D87 PolarHBondContact NH2-OD2 3.4Å; R83-D89 IonicContact CZ-OD2 3.39Å; R83-D89 IonicContact NH1-OD2 3.16Å
84E91.1Very high80.9Confident116 Ų11699.2 Ų99.254%0.54249%0.494SS..THydrogen-bonded Turntrans-64.8-34.6173.9-169.2-166.7157.500112.4T82 K98T82-E84 PolarHBondContact O-N 3.37Å; T82-E84 VanDerWaalsContact O-N 3.1Å; E84-K98 IonicContact OE1-NZ 3.4Å; E84-K98 PolarHBondContact OE1-NZ 2.81Å
85Y92.6Very high83Confident32 Ų3290.7 Ų90.713%0.12546%0.455CS..THydrogen-bonded Turntrans-94.2-31.1-178.4-62.6-77.5000113.1F68 P70 T82 R83 L97 K98 P100F68-Y85 WeakPolarHBondContact O-CB 3.13Å; P70-Y85 HydrophobicContact CG-CE2 4.12Å; T82-Y85 PolarHBondContact O-N 3.46Å; T82-Y85 VanDerWaalsContact OG1-CD2 3.26Å; T82-Y85 WeakPolarHBondContact OG1-CD2 3.4Å; R83-Y85 VanDerWaalsContact C-N 3.29Å; R83-Y85 PolarHBondContact O-N 2.86Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.41Å; Y85-K98 HydrophobicContact CD1-CB 4.32Å; Y85-K98 HydrophobicContact CD1-CD 4.38Å; Y85-K98 HydrophobicContact CD1-CG 4.25Å; Y85-K98 WeakPolarHBondContact CD1-O 3.41Å; Y85-K98 HydrophobicContact CE1-CD 4.44Å; Y85-K98 PolarHBondContact O-N 3.07Å; Y85-P100 HydrophobicContact CE1-CG 3.95Å
86V95.2Very high85.2Confident12 Ų1290.2 Ų90.27%0.07344%0.437CS..EExtended strand (participates in β ladder)trans-138.1107.9-179.9-176.20000109.6F68 P81 T82 R83 F88 V95 L97F68-V86 HydrophobicContact CB-CG2 3.71Å; F68-V86 HydrophobicContact CD1-CG2 4.46Å; F68-V86 HydrophobicContact CD2-CG2 3.59Å; F68-V86 HydrophobicContact CE2-CG2 4.37Å; F68-V86 HydrophobicContact CG-CG2 3.67Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.83Å; P81-V86 HydrophobicContact CG-CB 4.23Å; P81-V86 HydrophobicContact CG-CG2 3.74Å; T82-V86 PolarHBondContact O-N 2.76Å; T82-V86 VanDerWaalsContact O-N 3.09Å; R83-V86 WeakPolarHBondContact CA-O 3.34Å; V86-F88 HydrophobicContact CG1-CD2 3.92Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4.1Å; V86-V95 HydrophobicContact CG1-CG2 3.94Å; V86-L97 HydrophobicContact CB-CD2 4.21Å; V86-L97 HydrophobicContact CG1-CD2 3.86Å; V86-L97 HydrophobicContact CG2-CD2 3.9Å
87D95.6Very high87.6Confident25 Ų2580.6 Ų80.613%0.13439%0.392CS..EExtended strand (participates in β ladder)trans-120.1107.4-179.9-163.1-23000111.3R83 D89 R90 V95 Y96R83-D87 HydrophobicContact CG-CB 4.14Å; R83-D87 IonicContact CZ-OD1 3.47Å; R83-D87 IonicContact CZ-OD2 3.67Å; R83-D87 IonicContact NE-OD1 3.91Å; R83-D87 PolarHBondContact NE-OD1 2.9Å; R83-D87 IonicContact NE-OD2 3.97Å; R83-D87 PolarHBondContact NE-OD2 3.46Å; R83-D87 IonicContact NH2-OD1 2.97Å; R83-D87 IonicContact NH2-OD2 3.78Å; R83-D87 PolarHBondContact NH2-OD2 3.4Å; D87-D89 WeakPolarHBondContact OD1-CA 3.47Å; D87-D89 PolarHBondContact OD1-N 2.98Å; D87-R90 HydrophobicContact CB-CB 4.31Å; D87-R90 PolarHBondContact OD1-N 3.41Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; D87-Y96 PolarHBondContact N-O 2.96Å; D87-Y96 PolarHBondContact O-N 3.01Å
88F94.9Very high89.6Confident47 Ų4775.8 Ų75.821%0.20637%0.368CS..SBendtrans-88.7-14.8173-69.5-85.1000113.2Q45 R49 V86 V95 L116Q45-F88 HydrophobicContact CG-CE1 4.37Å; R49-F88 HydrophobicContact CG-CE2 3.75Å; R49-F88 HydrophobicContact CG-CZ 4.07Å; V86-F88 HydrophobicContact CG1-CD2 3.92Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4.1Å; F88-V95 HydrophobicContact CD1-CB 3.77Å; F88-V95 HydrophobicContact CD1-CG2 3.74Å; F88-V95 HydrophobicContact CD2-CG2 4.21Å; F88-V95 HydrophobicContact CE1-CB 3.78Å; F88-V95 HydrophobicContact CE1-CG1 4.43Å; F88-V95 HydrophobicContact CE1-CG2 3.66Å; F88-V95 HydrophobicContact CE2-CG2 4.14Å; F88-V95 HydrophobicContact CG-CB 4.44Å; F88-V95 HydrophobicContact CG-CG2 4.02Å; F88-V95 HydrophobicContact CZ-CB 4.46Å; F88-V95 HydrophobicContact CZ-CG2 3.88Å; F88-L116 HydrophobicContact CD1-CD1 4.28Å; F88-L116 HydrophobicContact CD1-CD2 4.33Å; F88-L116 HydrophobicContact CE1-CD2 4.03Å
89D94.6Very high91.4Very high123 Ų12363.7 Ų63.766%0.65832%0.323SS*.SBendtrans-96-13.8-171.4-62.5-29.8000111.9R83 D87 E91R83-D89 IonicContact CZ-OD2 3.39Å; R83-D89 IonicContact NH1-OD2 3.16Å; D87-D89 WeakPolarHBondContact OD1-CA 3.47Å; D87-D89 PolarHBondContact OD1-N 2.98Å; D89-E91 PolarHBondContact O-N 3.3Å
90R94.3Very high92.8Very high164 Ų16460 Ų6062%0.61931%0.307SS*.SBendtrans-62.5-39.6-179.4179.9168.3175.2-1771.2113.2D87 Y96D87-R90 HydrophobicContact CB-CB 4.31Å; D87-R90 PolarHBondContact OD1-N 3.41Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.44Å; R90-Y96 HydrophobicContact CG-CD2 3.78Å; R90-Y96 HydrophobicContact CG-CE2 3.77Å; R90-Y96 HydrophobicContact CG-CG 4.31Å
91E95.6Very high93.7Very high72 Ų7255.9 Ų55.934%0.33628%0.28SS..SBendtrans-150.4130.7177-167.2-179147.200110.3D89 G93 K94 Y96D89-E91 PolarHBondContact O-N 3.3Å; E91-G93 PolarHBondContact O-N 3.35Å; E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.37Å; E91-K94 PolarHBondContact O-N 2.89Å; E91-K94 VanDerWaalsContact O-N 3.16Å; E91-K94 WeakPolarHBondContact OE1-CD 3.21Å; E91-K94 WeakPolarHBondContact OE1-CE 3.33Å; E91-K94 IonicContact OE1-NZ 3.29Å; E91-K94 PolarHBondContact OE1-NZ 3.4Å; E91-K94 IonicContact OE2-NZ 2.74Å; E91-Y96 HydrophobicContact CB-CE2 3.74Å; E91-Y96 PolarHBondContact OE2-OH 3.06Å
92S94.4Very high94.1Very high125 Ų12557 Ų5787%0.87429%0.285SS*.THydrogen-bonded Turntrans-62132.6-178.1-167.60000111.4K94S92-K94 VanDerWaalsContact C-N 3.27Å; S92-K94 PolarHBondContact O-N 2.87Å
93G94.8Very high94.3Very high32 Ų3254.6 Ų54.633%0.3327%0.269SS..THydrogen-bonded Turntrans81.2-0.3-179.700000114.6E91 L116E91-G93 PolarHBondContact O-N 3.35Å; G93-L116 WeakPolarHBondContact O-CB 3.4Å; G93-L116 WeakPolarHBondContact O-CG 3.49Å; G93-L116 PolarHBondContact O-N 3.15Å
94K97.4Very high94.4Very high39 Ų3952.2 Ų52.217%0.1727%0.267CS..EExtended strand (participates in β ladder)trans-125.6159.7175.3-65.9177.7-174.8167.20111.5E91 S92 Y96 W113 I114E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.37Å; E91-K94 PolarHBondContact O-N 2.89Å; E91-K94 VanDerWaalsContact O-N 3.16Å; E91-K94 WeakPolarHBondContact OE1-CD 3.21Å; E91-K94 WeakPolarHBondContact OE1-CE 3.33Å; E91-K94 IonicContact OE1-NZ 3.29Å; E91-K94 PolarHBondContact OE1-NZ 3.4Å; E91-K94 IonicContact OE2-NZ 2.74Å; S92-K94 VanDerWaalsContact C-N 3.27Å; S92-K94 PolarHBondContact O-N 2.87Å; K94-Y96 HydrophobicContact CB-CE2 4.5Å; K94-W113 HydrophobicContact CD-CD2 4.04Å; K94-W113 HydrophobicContact CD-CE3 3.5Å; K94-W113 VanDerWaalsContact CD-CE3 3.5Å; K94-W113 HydrophobicContact CD-CZ3 3.81Å; K94-W113 HydrophobicContact CG-CE3 3.99Å; K94-W113 HydrophobicContact CG-CZ3 4.31Å; K94-I114 CarbonylContact C-O 3.49Å; K94-I114 VanDerWaalsContact CA-O 3.27Å; K94-I114 WeakPolarHBondContact CA-O 3.24Å
95V97.1Very high94.3Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-122.8129.4167.261.40000109.1F44 V86 D87 F88 L97 W113 I114 L116F44-V95 HydrophobicContact CE1-CG1 3.59Å; F44-V95 HydrophobicContact CZ-CG1 3.6Å; V86-V95 HydrophobicContact CG1-CG2 3.94Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; F88-V95 HydrophobicContact CD1-CB 3.77Å; F88-V95 HydrophobicContact CD1-CG2 3.74Å; F88-V95 HydrophobicContact CD2-CG2 4.21Å; F88-V95 HydrophobicContact CE1-CB 3.78Å; F88-V95 HydrophobicContact CE1-CG1 4.43Å; F88-V95 HydrophobicContact CE1-CG2 3.66Å; F88-V95 HydrophobicContact CE2-CG2 4.14Å; F88-V95 HydrophobicContact CG-CB 4.44Å; F88-V95 HydrophobicContact CG-CG2 4.02Å; F88-V95 HydrophobicContact CZ-CB 4.46Å; F88-V95 HydrophobicContact CZ-CG2 3.88Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.47Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.69Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; V95-W113 CarbonylContact O-C 3.56Å; V95-W113 WeakPolarHBondContact O-CA 3.44Å; V95-I114 HydrophobicContact CG1-CB 4.17Å; V95-I114 PolarHBondContact N-O 3.48Å; V95-I114 PolarHBondContact O-N 3.07Å; V95-L116 HydrophobicContact CB-CD2 4.09Å; V95-L116 HydrophobicContact CG1-CD2 3.89Å
96Y97.4Very high94.4Very high45 Ų4545.8 Ų45.818%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-94133.3172-72.9-103.2000109.1D87 R90 E91 K94 G112 W113D87-Y96 PolarHBondContact N-O 2.96Å; D87-Y96 PolarHBondContact O-N 3.01Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.44Å; R90-Y96 HydrophobicContact CG-CD2 3.78Å; R90-Y96 HydrophobicContact CG-CE2 3.77Å; R90-Y96 HydrophobicContact CG-CG 4.31Å; E91-Y96 HydrophobicContact CB-CE2 3.74Å; E91-Y96 PolarHBondContact OE2-OH 3.06Å; K94-Y96 HydrophobicContact CB-CE2 4.5Å; Y96-G112 WeakPolarHBondContact CA-O 3.17Å; Y96-W113 HydrophobicContact CD1-CB 3.82Å; Y96-W113 HydrophobicContact CD2-CB 4.3Å; Y96-W113 HydrophobicContact CE1-CB 3.88Å; Y96-W113 HydrophobicContact CE1-CG 4.2Å; Y96-W113 HydrophobicContact CE2-CB 4.35Å; Y96-W113 HydrophobicContact CG-CB 4.05Å
97L96.6Very high94.4Very high6 Ų645.2 Ų45.23%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-131.9138.7-168.5-63.9172.6000109.5F44 F68 Y85 V86 V95 W110 K111 G112 I114F44-L97 HydrophobicContact CE2-CD1 4.5Å; F44-L97 HydrophobicContact CZ-CD1 4.18Å; F68-L97 HydrophobicContact CD2-CD2 4.49Å; F68-L97 HydrophobicContact CE1-CB 4.04Å; F68-L97 HydrophobicContact CE1-CD1 4.42Å; F68-L97 HydrophobicContact CE1-CD2 4.12Å; F68-L97 HydrophobicContact CE1-CG 4.43Å; F68-L97 HydrophobicContact CE2-CD2 4.03Å; F68-L97 HydrophobicContact CZ-CB 4.37Å; F68-L97 HydrophobicContact CZ-CD1 3.95Å; F68-L97 HydrophobicContact CZ-CD2 3.83Å; F68-L97 HydrophobicContact CZ-CG 4.28Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.41Å; V86-L97 HydrophobicContact CB-CD2 4.21Å; V86-L97 HydrophobicContact CG1-CD2 3.86Å; V86-L97 HydrophobicContact CG2-CD2 3.9Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.47Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.69Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; L97-W110 HydrophobicContact CB-CH2 4.1Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 HydrophobicContact CD1-CZ3 4.44Å; L97-K111 WeakPolarHBondContact O-CA 3.31Å; L97-G112 PolarHBondContact N-O 3.08Å; L97-G112 PolarHBondContact O-N 2.97Å; L97-I114 HydrophobicContact CD1-CD1 4.09Å
98K95.8Very high94.3Very high46 Ų4644 Ų4420%0.223%0.231CC..EExtended strand (participates in β ladder)trans-132.4130.7175.2178.2-173.5175.6-173.70108.1F68 E84 Y85 I109 W110 K111F68-K98 WeakPolarHBondContact CD1-O 3.44Å; E84-K98 IonicContact OE1-NZ 3.4Å; E84-K98 PolarHBondContact OE1-NZ 2.81Å; Y85-K98 HydrophobicContact CD1-CB 4.32Å; Y85-K98 HydrophobicContact CD1-CD 4.38Å; Y85-K98 HydrophobicContact CD1-CG 4.25Å; Y85-K98 WeakPolarHBondContact CD1-O 3.41Å; Y85-K98 HydrophobicContact CE1-CD 4.44Å; Y85-K98 PolarHBondContact O-N 3.07Å; K98-I109 HydrophobicContact CD-CG2 4.27Å; K98-I109 HydrophobicContact CG-CG2 3.53Å; K98-W110 CarbonylContact C-O 3.52Å; K98-W110 WeakPolarHBondContact CA-O 3.33Å; K98-K111 HydrophobicContact CG-CG 4.27Å
99A95Very high94.4Very high0 Ų042.8 Ų42.80%023%0.227CC..EExtended strand (participates in β ladder)trans-138.9107.5-177.100000111L66 Q67 F68 W110L66-A99 HydrophobicContact CB-CB 4.04Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.47Å; Q67-A99 WeakPolarHBondContact O-CB 3.36Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.05Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.3Å; A99-W110 PolarHBondContact N-O 2.89Å; A99-W110 PolarHBondContact O-N 2.82Å
100P93.4Very high94.5Very high17 Ų1736.9 Ų36.911%0.1120%0.195CC..EExtended strand (participates in β ladder)trans-80.3130.4177.133.3-33.6000110.8F69 Y85 I109 R131F69-P100 WeakPolarHBondContact O-CG 3.27Å; Y85-P100 HydrophobicContact CE1-CG 3.95Å; P100-I109 HydrophobicContact CB-CG1 4.28Å; P100-R131 VanDerWaalsContact C-NH1 3.25Å; P100-R131 PolarHBondContact O-NH1 3.09Å
101M91.8Very high94.6Very high30 Ų3032 Ų3215%0.14818%0.178CC..EExtended strand (participates in β ladder)trans-149.2166.4-178.459.2175.653.100113.4L66 V108L66-M101 HydrophobicContact CD2-CE 3.61Å; M101-V108 HydrophobicContact CG-CG2 3.78Å; M101-V108 PolarHBondContact N-O 2.88Å; M101-V108 PolarHBondContact O-N 3.37Å
102I92Very high94.7Very high43 Ų4329 Ų2922%0.22117%0.167CC..EExtended strand (participates in β ladder)trans-106.3111.9169.2-64.2165.2000106.7R3 V4 V106 E135R3-I102 HydrophobicContact CB-CD1 4.24Å; R3-I102 WeakPolarHBondContact O-CG2 3.46Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.33Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; I102-E135 HydrophobicContact CD1-CG 4.38Å
103L92.3Very high94.9Very high27 Ų2725.7 Ų25.714%0.14114%0.135CC..EExtended strand (participates in β ladder)trans-112.7122.4-179.1-171.361.4000108.6F17 F18 L64 G105 V106 V108 L125F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.07Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å; F18-L103 HydrophobicContact CE1-CB 4.24Å; F18-L103 HydrophobicContact CE1-CD2 4.05Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 HydrophobicContact CZ-CB 4.46Å; F18-L103 HydrophobicContact CZ-CG 4.49Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; L64-L103 HydrophobicContact CD2-CD1 4.39Å; L64-L103 HydrophobicContact CD2-CD2 4.45Å; L103-G105 PolarHBondContact O-N 2.6Å; L103-V106 PolarHBondContact N-O 2.86Å; L103-V106 PolarHBondContact O-N 2.87Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; L103-L125 HydrophobicContact CD2-CD1 3.82Å
104N90.3Very high95.1Very high96 Ų9624.2 Ų24.251%0.51312%0.12SC..THydrogen-bonded Turntrans49.433.4-177.1-60.9-24.6000114.1K11 F18K11-N104 PolarHBondContact NZ-O 3.04Å; F18-N104 HydrophobicContact CZ-CB 4.3Å
105G90Very high95.1Very high12 Ų1223.9 Ų23.912%0.12412%0.12CC..THydrogen-bonded Turntrans79.611.6-177.900000115.5V4 V5 L103V4-G105 CarbonylContact C-O 3.43Å; V4-G105 VanDerWaalsContact CA-O 3.24Å; V4-G105 WeakPolarHBondContact CA-O 3.41Å; V4-G105 WeakPolarHBondContact CB-O 3.43Å; V5-G105 WeakPolarHBondContact CG2-O 3.26Å; V5-G105 PolarHBondContact N-O 3.32Å; L103-G105 PolarHBondContact O-N 2.6Å
106V93.9Very high95.1Very high0 Ų025.2 Ų25.20%013%0.127CC..EExtended strand (participates in β ladder)trans-111.6127.3175.6-1780000109.2V5 Q8 K11 F12 F18 I102 L103 V108 F127V5-V106 HydrophobicContact CG2-CG2 4.21Å; Q8-V106 HydrophobicContact CB-CG1 4.31Å; K11-V106 HydrophobicContact CB-CG2 4.05Å; K11-V106 HydrophobicContact CD-CG2 3.72Å; K11-V106 HydrophobicContact CG-CG2 3.99Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.15Å; F18-V106 HydrophobicContact CE1-CB 4.37Å; F18-V106 HydrophobicContact CE2-CB 4.25Å; F18-V106 HydrophobicContact CE2-CG2 3.79Å; F18-V106 HydrophobicContact CZ-CB 3.8Å; F18-V106 HydrophobicContact CZ-CG1 4.42Å; F18-V106 HydrophobicContact CZ-CG2 3.83Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; L103-V106 PolarHBondContact N-O 2.86Å; L103-V106 PolarHBondContact O-N 2.87Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.94Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.94Å
107C94.3Very high95Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-68.8117.9170.7-66.60000110.2Q8 F127 D128 R131 A132Q8-C107 PolarHBondContact OE1-SG 2.82Å; C107-F127 WeakPolarHBondContact O-CD2 3.41Å; C107-D128 HydrophobicContact CB-CB 4.09Å; C107-D128 PolarHBondContact O-N 2.97Å; C107-R131 HydrophobicContact CB-CB 4.34Å; C107-R131 HydrophobicContact CB-CG 4.4Å; C107-A132 HydrophobicContact CB-CB 4.04Å
108V95.3Very high95Very high0 Ų037.2 Ų37.20%018%0.177CC..EExtended strand (participates in β ladder)trans-135.3154.6-179.8-61.20000110.7F12 F18 M101 L103 V106 L125 E126F12-V108 HydrophobicContact CD2-CG1 3.69Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; M101-V108 HydrophobicContact CG-CG2 3.78Å; M101-V108 PolarHBondContact N-O 2.88Å; M101-V108 PolarHBondContact O-N 3.37Å; 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 2.94Å; V108-L125 HydrophobicContact CG2-CD2 4.15Å; V108-E126 CarbonylContact C-O 3.56Å; V108-E126 WeakPolarHBondContact CA-O 3.5Å; V108-E126 WeakPolarHBondContact CB-O 3.17Å
109I96.3Very high95.1Very high21 Ų2135.2 Ų35.211%0.10817%0.169CC..EExtended strand (participates in β ladder)trans-112.9118.9168.5-59.8168.2000107.3K98 P100 K111 E126 D128K98-I109 HydrophobicContact CD-CG2 4.27Å; K98-I109 HydrophobicContact CG-CG2 3.53Å; P100-I109 HydrophobicContact CB-CG1 4.28Å; I109-K111 HydrophobicContact CG2-CG 3.92Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.09Å; I109-D128 HydrophobicContact CD1-CB 4.13Å; I109-D128 HydrophobicContact CG1-CB 3.88Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.46Å
110W96.8Very high95.2Very high0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans-78.3132.9165.9-17890000109.4I27 I55 F57 L66 L97 K98 A99 F124 L125I27-W110 HydrophobicContact CD1-CH2 4.09Å; I27-W110 HydrophobicContact CD1-CZ2 3.67Å; I55-W110 HydrophobicContact CD1-CZ2 4.42Å; I55-W110 HydrophobicContact CG1-CZ2 4.35Å; F57-W110 AromaticContact CE2-CD1 3.94Å; F57-W110 AromaticContact CE2-NE1 3.81Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.48Å; L66-W110 HydrophobicContact CD1-CD2 3.75Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.23Å; L66-W110 HydrophobicContact CD1-CZ3 3.44Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.44Å; L66-W110 HydrophobicContact CD2-CB 4.22Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 4.03Å; L66-W110 HydrophobicContact CG-CE3 4.46Å; L97-W110 HydrophobicContact CB-CH2 4.1Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 HydrophobicContact CD1-CZ3 4.44Å; K98-W110 CarbonylContact C-O 3.52Å; K98-W110 WeakPolarHBondContact CA-O 3.33Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.3Å; A99-W110 PolarHBondContact N-O 2.89Å; A99-W110 PolarHBondContact O-N 2.82Å; W110-F124 WeakPolarHBondContact CA-O 3.43Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.13Å
111K97.2Very high95.4Very high61 Ų6135.7 Ų35.727%0.26517%0.171SC..EExtended strand (participates in β ladder)trans-131.1143.5174.8-66-178-177.7170.90109.5L97 K98 I109 G123 F124 E126L97-K111 WeakPolarHBondContact O-CA 3.31Å; K98-K111 HydrophobicContact CG-CG 4.27Å; I109-K111 HydrophobicContact CG2-CG 3.92Å; K111-G123 CarbonylContact O-C 3.47Å; K111-G123 WeakPolarHBondContact O-CA 3.33Å; K111-F124 HydrophobicContact CB-CE1 4.2Å; K111-F124 HydrophobicContact CB-CZ 4.23Å; K111-F124 HydrophobicContact CD-CZ 4.5Å; K111-F124 PolarHBondContact N-O 2.97Å; K111-F124 PolarHBondContact O-N 3.48Å; K111-E126 WeakPolarHBondContact CE-OE2 3.25Å; K111-E126 VanDerWaalsContact NZ-CD 3.29Å; K111-E126 IonicContact NZ-OE1 2.67Å; K111-E126 PolarHBondContact NZ-OE1 2.67Å; K111-E126 IonicContact NZ-OE2 3.69Å; K111-E126 PolarHBondContact NZ-OE2 3.47Å
112G97.5Very high95.7Very high9 Ų936.8 Ų36.89%0.09318%0.177CC..EExtended strand (participates in β ladder)trans-178-178.4175.100000113.1Y96 L97 M122Y96-G112 WeakPolarHBondContact CA-O 3.17Å; L97-G112 PolarHBondContact N-O 3.08Å; L97-G112 PolarHBondContact O-N 2.97Å; G112-M122 CarbonylContact C-O 3.47Å; G112-M122 WeakPolarHBondContact CA-O 3.27Å
113W97.9Very high96Very high56 Ų5634.8 Ų34.821%0.21217%0.167CC..EExtended strand (participates in β ladder)trans-134.3152171.561.7-93.1000110.3K94 V95 Y96 D115 G121 M122K94-W113 HydrophobicContact CD-CD2 4.04Å; K94-W113 HydrophobicContact CD-CE3 3.5Å; K94-W113 VanDerWaalsContact CD-CE3 3.5Å; K94-W113 HydrophobicContact CD-CZ3 3.81Å; K94-W113 HydrophobicContact CG-CE3 3.99Å; K94-W113 HydrophobicContact CG-CZ3 4.31Å; V95-W113 CarbonylContact O-C 3.56Å; V95-W113 WeakPolarHBondContact O-CA 3.44Å; Y96-W113 HydrophobicContact CD1-CB 3.82Å; Y96-W113 HydrophobicContact CD2-CB 4.3Å; Y96-W113 HydrophobicContact CE1-CB 3.88Å; Y96-W113 HydrophobicContact CE1-CG 4.2Å; Y96-W113 HydrophobicContact CE2-CB 4.35Å; Y96-W113 HydrophobicContact CG-CB 4.05Å; W113-D115 HydrophobicContact CZ3-CB 4.38Å; W113-G121 WeakPolarHBondContact O-CA 3.16Å; W113-M122 HydrophobicContact CH2-CG 4.42Å; W113-M122 HydrophobicContact CZ2-CB 4.13Å; W113-M122 HydrophobicContact CZ2-CG 3.61Å; W113-M122 PolarHBondContact N-O 3.46Å; W113-M122 PolarHBondContact O-N 2.84Å; W113-M122 VanDerWaalsContact O-N 3.09Å
114I98.1Very high96.2Very high0 Ų036 Ų360%017%0.171CC..EExtended strand (participates in β ladder)trans-130.7134.2177.1-66176.5000109.2I27 F44 I55 K94 V95 L97 D120I27-I114 HydrophobicContact CD1-CD1 3.81Å; I27-I114 HydrophobicContact CD1-CG1 3.56Å; F44-I114 HydrophobicContact CE1-CB 4.22Å; F44-I114 HydrophobicContact CE1-CG2 3.81Å; F44-I114 HydrophobicContact CE2-CD1 3.67Å; F44-I114 HydrophobicContact CE2-CG2 4.38Å; F44-I114 HydrophobicContact CZ-CB 3.77Å; F44-I114 HydrophobicContact CZ-CD1 3.63Å; F44-I114 HydrophobicContact CZ-CG1 4.26Å; F44-I114 HydrophobicContact CZ-CG2 3.67Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å; K94-I114 CarbonylContact C-O 3.49Å; K94-I114 VanDerWaalsContact CA-O 3.27Å; K94-I114 WeakPolarHBondContact CA-O 3.24Å; V95-I114 HydrophobicContact CG1-CB 4.17Å; V95-I114 PolarHBondContact N-O 3.48Å; V95-I114 PolarHBondContact O-N 3.07Å; L97-I114 HydrophobicContact CD1-CD1 4.09Å; I114-D120 WeakPolarHBondContact CA-O 3.5Å
115D98.1Very high96.5Very high32 Ų3231.5 Ų31.517%0.17115%0.147CC..EExtended strand (participates in β ladder)trans-70.8124.4169.4-174.7-65.9000110.2W113 Q117 R118 L119 D120W113-D115 HydrophobicContact CZ3-CB 4.38Å; D115-Q117 PolarHBondContact O-N 2.86Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.49Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.3Å; D115-Q117 PolarHBondContact OD1-N 3.36Å; D115-R118 HydrophobicContact CB-CB 4.15Å; D115-R118 PolarHBondContact OD1-N 3.42Å; D115-L119 WeakPolarHBondContact O-CA 3.43Å; D115-L119 PolarHBondContact O-N 3.43Å; D115-D120 WeakPolarHBondContact CB-O 3.07Å; D115-D120 PolarHBondContact N-O 2.82Å
116L96.9Very high96.9Very high29 Ų2934 Ų3415%0.15216%0.155CC..THydrogen-bonded Turntrans-69-23.3-175.3-63.1179.8000112.9Q41 F44 Q45 F88 G93 V95Q41-L116 WeakPolarHBondContact CG-O 3.49Å; F44-L116 HydrophobicContact CD1-CD2 4.31Å; F44-L116 HydrophobicContact CE1-CD2 3.89Å; Q45-L116 HydrophobicContact CG-CD2 3.97Å; F88-L116 HydrophobicContact CD1-CD1 4.28Å; F88-L116 HydrophobicContact CD1-CD2 4.33Å; F88-L116 HydrophobicContact CE1-CD2 4.03Å; G93-L116 WeakPolarHBondContact O-CB 3.4Å; G93-L116 WeakPolarHBondContact O-CG 3.49Å; G93-L116 PolarHBondContact O-N 3.15Å; V95-L116 HydrophobicContact CB-CD2 4.09Å; V95-L116 HydrophobicContact CG1-CD2 3.89Å
117Q95.8Very high97Very high143 Ų14336.1 Ų36.167%0.66817%0.165SC*.THydrogen-bonded Turntrans-88.3-45.9177.1-65.7-172.5-4.600111.2H37 Q41 D115H37-Q117 PolarHBondContact CE1-O 2.86Å; H37-Q117 VanDerWaalsContact CE1-O 3.31Å; H37-Q117 PolarHBondContact NE2-O 3.33Å; Q41-Q117 PolarHBondContact NE2-O 2.79Å; D115-Q117 PolarHBondContact O-N 2.86Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.49Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.3Å; D115-Q117 PolarHBondContact OD1-N 3.36Å
118R96.9Very high97Very high159 Ų15937.1 Ų37.160%0.617%0.17SC*.THydrogen-bonded Turntrans-86.7-23-173.5-66171.653.2178.8-3.5113.7D115 D120D115-R118 HydrophobicContact CB-CB 4.15Å; D115-R118 PolarHBondContact OD1-N 3.42Å; R118-D120 VanDerWaalsContact CB-OD1 3.27Å; R118-D120 WeakPolarHBondContact CB-OD1 3.4Å; R118-D120 IonicContact CZ-OD1 3.98Å; R118-D120 IonicContact CZ-OD2 2.75Å; R118-D120 VanDerWaalsContact CZ-OD2 3.29Å; R118-D120 IonicContact NE-OD1 2.98Å; R118-D120 PolarHBondContact NE-OD1 2.83Å; R118-D120 VanDerWaalsContact NE-OD1 3.1Å; R118-D120 IonicContact NE-OD2 2.8Å; R118-D120 PolarHBondContact NE-OD2 3.08Å; R118-D120 VanDerWaalsContact NE-OD2 3.07Å; R118-D120 IonicContact NH2-OD1 3.86Å; R118-D120 PolarHBondContact NH2-OD1 3.35Å; R118-D120 IonicContact NH2-OD2 3.22Å; R118-D120 PolarHBondContact NH2-OD2 3.47Å; R118-D120 PolarHBondContact O-N 3.32Å
119L97.6Very high96.9Very high5 Ų542.8 Ų42.83%0.02620%0.197CC..SBendtrans59.830.3-174.3-52.8178.4000113.1Y29 R40 Q41 F44 D115Y29-L119 HydrophobicContact CD1-CD1 4.06Å; Y29-L119 PolarHBondContact N-O 2.99Å; R40-L119 HydrophobicContact CB-CD1 3.64Å; Q41-L119 HydrophobicContact CG-CD1 4.07Å; Q41-L119 HydrophobicContact CG-CD2 4.19Å; Q41-L119 HydrophobicContact CG-CG 4.16Å; F44-L119 HydrophobicContact CB-CD2 4.04Å; F44-L119 HydrophobicContact CD1-CD2 3.78Å; F44-L119 HydrophobicContact CG-CD2 4.01Å; D115-L119 WeakPolarHBondContact O-CA 3.43Å; D115-L119 PolarHBondContact O-N 3.43Å
120D97.7Very high96.6Very high22 Ų2248.6 Ų48.612%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-127.1168.7170.763.422.1000110.1I27 K28 I114 D115 R118I27-D120 CarbonylContact O-C 2.96Å; I27-D120 WeakPolarHBondContact O-CA 3.44Å; K28-D120 HydrophobicContact CG-CB 3.93Å; I114-D120 WeakPolarHBondContact CA-O 3.5Å; D115-D120 WeakPolarHBondContact CB-O 3.07Å; D115-D120 PolarHBondContact N-O 2.82Å; R118-D120 VanDerWaalsContact CB-OD1 3.27Å; R118-D120 WeakPolarHBondContact CB-OD1 3.4Å; R118-D120 IonicContact CZ-OD1 3.98Å; R118-D120 IonicContact CZ-OD2 2.75Å; R118-D120 VanDerWaalsContact CZ-OD2 3.29Å; R118-D120 IonicContact NE-OD1 2.98Å; R118-D120 PolarHBondContact NE-OD1 2.83Å; R118-D120 VanDerWaalsContact NE-OD1 3.1Å; R118-D120 IonicContact NE-OD2 2.8Å; R118-D120 PolarHBondContact NE-OD2 3.08Å; R118-D120 VanDerWaalsContact NE-OD2 3.07Å; R118-D120 IonicContact NH2-OD1 3.86Å; R118-D120 PolarHBondContact NH2-OD1 3.35Å; R118-D120 IonicContact NH2-OD2 3.22Å; R118-D120 PolarHBondContact NH2-OD2 3.47Å; R118-D120 PolarHBondContact O-N 3.32Å
121G97.6Very high96.2Very high4 Ų449.6 Ų49.64%0.04123%0.227CC..EExtended strand (participates in β ladder)trans173.3-153.6179.100000112.1E26 I27 W113E26-G121 WeakPolarHBondContact CA-O 3.5Å; I27-G121 VanDerWaalsContact CG1-C 3.49Å; I27-G121 WeakPolarHBondContact CG1-O 3.4Å; I27-G121 PolarHBondContact N-O 3.01Å; I27-G121 PolarHBondContact O-N 3.46Å; W113-G121 WeakPolarHBondContact O-CA 3.16Å
122M98.1Very high95.8Very high54 Ų5446.9 Ų46.927%0.26622%0.216SC..EExtended strand (participates in β ladder)trans-127.4143.2-177.8-57.2-66.1-76.700110.8E24 C25 E26 G112 W113E24-M122 HydrophobicContact CB-CE 4.47Å; E24-M122 HydrophobicContact CG-CB 3.8Å; E24-M122 HydrophobicContact CG-CE 3.75Å; E24-M122 HydrophobicContact CG-CG 4.46Å; E24-M122 WeakPolarHBondContact OE1-CB 3.23Å; C25-M122 WeakPolarHBondContact O-CA 3.4Å; E26-M122 HydrophobicContact CB-SD 4.28Å; G112-M122 CarbonylContact C-O 3.47Å; G112-M122 WeakPolarHBondContact CA-O 3.27Å; W113-M122 HydrophobicContact CH2-CG 4.42Å; W113-M122 HydrophobicContact CZ2-CB 4.13Å; W113-M122 HydrophobicContact CZ2-CG 3.61Å; W113-M122 PolarHBondContact N-O 3.46Å; W113-M122 PolarHBondContact O-N 2.84Å; W113-M122 VanDerWaalsContact O-N 3.09Å
123G97.5Very high95.4Very high0 Ų052 Ų520%024%0.238CC..EExtended strand (participates in β ladder)trans-155.8165.3176.500000112.7C25 F57 K111C25-G123 PolarHBondContact N-O 3.1Å; C25-G123 PolarHBondContact O-N 3.48Å; F57-G123 WeakPolarHBondContact CE1-O 3.3Å; K111-G123 CarbonylContact O-C 3.47Å; K111-G123 WeakPolarHBondContact O-CA 3.33Å
124F97Very high94.9Very high52 Ų5254.2 Ų54.223%0.22825%0.25CS..EExtended strand (participates in β ladder)trans-159.7167.818062.7-77.7000111.4L21 W110 K111 E126L21-F124 CarbonylContact O-C 3.48Å; L21-F124 WeakPolarHBondContact O-CA 3.44Å; W110-F124 WeakPolarHBondContact CA-O 3.43Å; K111-F124 HydrophobicContact CB-CE1 4.2Å; K111-F124 HydrophobicContact CB-CZ 4.23Å; K111-F124 HydrophobicContact CD-CZ 4.5Å; K111-F124 PolarHBondContact N-O 2.97Å; K111-F124 PolarHBondContact O-N 3.48Å; F124-E126 HydrophobicContact CD2-CG 3.87Å; F124-E126 HydrophobicContact CE2-CG 3.41Å; F124-E126 VanDerWaalsContact CE2-CG 3.41Å; F124-E126 WeakPolarHBondContact CE2-OE1 3Å; F124-E126 HydrophobicContact CZ-CG 4.43Å; F124-E126 WeakPolarHBondContact CZ-OE1 3.19Å
125L96.8Very high94.4Very high2 Ų255.4 Ų55.41%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-103.3136.5174.4-64.4-179.9000111.2F12 F18 L21 S22 L103 V108 W110F12-L125 HydrophobicContact CE2-CB 4.26Å; F18-L125 HydrophobicContact CD1-CD1 4.14Å; F18-L125 HydrophobicContact CE1-CD1 4.43Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.86Å; L21-L125 HydrophobicContact CG-CD1 4.44Å; L21-L125 PolarHBondContact O-N 2.66Å; S22-L125 VanDerWaalsContact CA-O 3.29Å; S22-L125 WeakPolarHBondContact CA-O 3.39Å; L103-L125 HydrophobicContact CD2-CD1 3.82Å; V108-L125 HydrophobicContact CG2-CD2 4.15Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.13Å
126E96.8Very high93.8Very high64 Ų6455.8 Ų55.830%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-115.1150.5167.4-67.6-179.1-176.100110.2V108 I109 K111 F124V108-E126 CarbonylContact C-O 3.56Å; V108-E126 WeakPolarHBondContact CA-O 3.5Å; V108-E126 WeakPolarHBondContact CB-O 3.17Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.09Å; K111-E126 WeakPolarHBondContact CE-OE2 3.25Å; K111-E126 VanDerWaalsContact NZ-CD 3.29Å; K111-E126 IonicContact NZ-OE1 2.67Å; K111-E126 PolarHBondContact NZ-OE1 2.67Å; K111-E126 IonicContact NZ-OE2 3.69Å; K111-E126 PolarHBondContact NZ-OE2 3.47Å; F124-E126 HydrophobicContact CD2-CG 3.87Å; F124-E126 HydrophobicContact CE2-CG 3.41Å; F124-E126 VanDerWaalsContact CE2-CG 3.41Å; F124-E126 WeakPolarHBondContact CE2-OE1 3Å; F124-E126 HydrophobicContact CZ-CG 4.43Å; F124-E126 WeakPolarHBondContact CZ-OE1 3.19Å
127F96.1Very high93.3Very high46 Ų4657 Ų5720%0.20227%0.266CS..EExtended strand (participates in β ladder)trans-74134.2172.4-177.6-112.1000110.4Q8 R9 F12 V106 C107 E129 A132Q8-F127 HydrophobicContact CB-CE2 3.78Å; Q8-F127 HydrophobicContact CB-CZ 4.07Å; R9-F127 HydrophobicContact CB-CE1 3.99Å; R9-F127 HydrophobicContact CB-CE2 4.49Å; R9-F127 HydrophobicContact CB-CZ 3.94Å; R9-F127 HydrophobicContact CG-CE1 4.34Å; F12-F127 HydrophobicContact CB-CD2 4.04Å; F12-F127 HydrophobicContact CD1-CB 3.8Å; F12-F127 HydrophobicContact CD2-CB 4.34Å; F12-F127 HydrophobicContact CD2-CD2 4.41Å; F12-F127 HydrophobicContact CE1-CB 3.88Å; F12-F127 HydrophobicContact CE2-CB 4.4Å; F12-F127 HydrophobicContact CG-CB 4.03Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.17Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.94Å; C107-F127 WeakPolarHBondContact O-CD2 3.41Å; F127-E129 HydrophobicContact CD1-CB 4.05Å; F127-E129 HydrophobicContact CE1-CB 3.89Å; F127-E129 HydrophobicContact CE1-CG 4.26Å; F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.5Å
128D95Very high92.8Very high20 Ų2054.8 Ų54.811%0.10726%0.258CS..  trans-98.986178.8-165.5-20.4000109.8C107 I109 R131 A132C107-D128 HydrophobicContact CB-CB 4.09Å; C107-D128 PolarHBondContact O-N 2.97Å; I109-D128 HydrophobicContact CD1-CB 4.13Å; I109-D128 HydrophobicContact CG1-CB 3.88Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.46Å; D128-R131 HydrophobicContact CB-CB 4.06Å; D128-R131 PolarHBondContact O-N 2.84Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.39Å; D128-R131 PolarHBondContact OD1-N 2.81Å; D128-R131 VanDerWaalsContact OD1-N 3.1Å; D128-R131 VanDerWaalsContact OD2-CB 3.23Å; D128-R131 WeakPolarHBondContact OD2-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.44Å; D128-A132 PolarHBondContact O-N 3.13Å
129E92.4Very high92.2Very high120 Ų12048 Ų4856%0.56124%0.237SC*.Hα-helixtrans-65.2-40.5-174.8-173165.1-141.500112.4R9 F127 A132 Q133R9-E129 IonicContact NH1-OE1 3.07Å; R9-E129 PolarHBondContact NH1-OE1 2.86Å; F127-E129 HydrophobicContact CD1-CB 4.05Å; F127-E129 HydrophobicContact CE1-CB 3.89Å; F127-E129 HydrophobicContact CE1-CG 4.26Å; E129-A132 PolarHBondContact O-N 2.73Å; E129-Q133 WeakPolarHBondContact O-CB 3.49Å; E129-Q133 PolarHBondContact O-N 3.46Å
130E90.6Very high91.4Very high142 Ų14253.5 Ų53.566%0.66426%0.262SS*.Hα-helixtrans-62.4-49178.6-173.3-174166.900110.6Q133 Q134E130-Q133 PolarHBondContact O-N 2.88Å; E130-Q134 WeakPolarHBondContact O-CG 3Å; E130-Q134 PolarHBondContact O-N 3.41Å; E130-Q134 VanDerWaalsContact O-N 3.14Å; E130-Q134 PolarHBondContact OE1-NE2 3.4Å
131R88Confident90.7Very high21 Ų2157.3 Ų57.38%0.07928%0.28CS..Hα-helixtrans-71.4-35.7-180-170177.6167-172.7-7.1112.6P100 C107 D128 Q133 Q134 E135P100-R131 VanDerWaalsContact C-NH1 3.25Å; P100-R131 PolarHBondContact O-NH1 3.09Å; C107-R131 HydrophobicContact CB-CB 4.34Å; C107-R131 HydrophobicContact CB-CG 4.4Å; D128-R131 HydrophobicContact CB-CB 4.06Å; D128-R131 PolarHBondContact O-N 2.84Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.39Å; D128-R131 PolarHBondContact OD1-N 2.81Å; D128-R131 VanDerWaalsContact OD1-N 3.1Å; D128-R131 VanDerWaalsContact OD2-CB 3.23Å; D128-R131 WeakPolarHBondContact OD2-CB 3.31Å; R131-Q133 VanDerWaalsContact C-N 3.29Å; R131-Q133 PolarHBondContact O-N 3.26Å; R131-Q134 PolarHBondContact O-N 3.05Å; R131-E135 HydrophobicContact CG-CG 4.18Å; R131-E135 IonicContact NE-OE1 3.35Å; R131-E135 WeakPolarHBondContact O-CB 3.21Å; R131-E135 WeakPolarHBondContact O-CG 3.22Å; R131-E135 PolarHBondContact O-N 3.39Å
132A90.4Very high90Very high4 Ų459.6 Ų59.63%0.03330%0.298CS..Hα-helixtrans-57.1-46.2174.300000110.5Q8 C107 F127 D128 E129 Q134 E135 D136Q8-A132 PolarHBondContact NE2-O 3.26Å; C107-A132 HydrophobicContact CB-CB 4.04Å; F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.5Å; D128-A132 WeakPolarHBondContact O-CB 3.44Å; D128-A132 PolarHBondContact O-N 3.13Å; E129-A132 PolarHBondContact O-N 2.73Å; A132-Q134 PolarHBondContact O-N 3.05Å; A132-E135 PolarHBondContact O-N 3.41Å; A132-D136 VanDerWaalsContact O-CB 3.29Å; A132-D136 WeakPolarHBondContact O-CB 3.29Å; A132-D136 VanDerWaalsContact O-CG 3.23Å; A132-D136 PolarHBondContact O-N 3.37Å
133Q88.9Confident89.2Confident118 Ų11863.9 Ų63.955%0.55131%0.312SS*.Hα-helixtrans-63.8-40.3177.9-173.161.966.800112.7E129 E130 R131 T137E129-Q133 WeakPolarHBondContact O-CB 3.49Å; E129-Q133 PolarHBondContact O-N 3.46Å; E130-Q133 PolarHBondContact O-N 2.88Å; R131-Q133 VanDerWaalsContact C-N 3.29Å; R131-Q133 PolarHBondContact O-N 3.26Å; Q133-T137 WeakPolarHBondContact O-CB 3.48Å; Q133-T137 PolarHBondContact O-N 3.14Å; Q133-T137 PolarHBondContact O-OG1 3.44Å
134Q87.1Confident88.4Confident102 Ų10270.2 Ų70.248%0.47734%0.342SS..Hα-helixtrans-64.5-48.7176.6-70.6173.710.600111.6E130 R131 A132 T137 L138E130-Q134 WeakPolarHBondContact O-CG 3Å; E130-Q134 PolarHBondContact O-N 3.41Å; E130-Q134 VanDerWaalsContact O-N 3.14Å; E130-Q134 PolarHBondContact OE1-NE2 3.4Å; R131-Q134 PolarHBondContact O-N 3.05Å; A132-Q134 PolarHBondContact O-N 3.05Å; Q134-T137 PolarHBondContact O-N 3.15Å; Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 3.38Å
135E87.4Confident87.8Confident24 Ų2471.6 Ų71.611%0.11235%0.352CS..Hα-helixtrans-67.5-35.5179.2-68.4-83.317900111.8R3 V4 I102 R131 A132 L138 A139R3-E135 IonicContact NH1-OE1 3.44Å; V4-E135 HydrophobicContact CG1-CB 3.73Å; V4-E135 HydrophobicContact CG1-CG 4.33Å; V4-E135 HydrophobicContact CG2-CB 4.12Å; I102-E135 HydrophobicContact CD1-CG 4.38Å; R131-E135 HydrophobicContact CG-CG 4.18Å; R131-E135 IonicContact NE-OE1 3.35Å; R131-E135 WeakPolarHBondContact O-CB 3.21Å; R131-E135 WeakPolarHBondContact O-CG 3.22Å; R131-E135 PolarHBondContact O-N 3.39Å; A132-E135 PolarHBondContact O-N 3.41Å; E135-L138 PolarHBondContact O-N 3.37Å; E135-A139 VanDerWaalsContact O-CB 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.5Å; E135-A139 PolarHBondContact O-N 2.93Å
136D86.2Confident87.1Confident41 Ų4176 Ų7622%0.21938%0.378CS..Hα-helixtrans-63.9-43.2174.1-79-11.7000111.2V4 Q8 A132 A139 Q140V4-D136 WeakPolarHBondContact CG2-OD1 3.48Å; Q8-D136 PolarHBondContact NE2-OD1 2.64Å; A132-D136 VanDerWaalsContact O-CB 3.29Å; A132-D136 WeakPolarHBondContact O-CB 3.29Å; A132-D136 VanDerWaalsContact O-CG 3.23Å; A132-D136 PolarHBondContact O-N 3.37Å; D136-A139 PolarHBondContact O-N 2.95Å; D136-Q140 WeakPolarHBondContact O-CB 3.44Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.08Å
137T85.8Confident86.5Confident54 Ų5480.3 Ų80.333%0.33139%0.392SS..Hα-helixtrans-62.4-45176.4-53.10000110.9Q133 Q134 Q140 Q141Q133-T137 WeakPolarHBondContact O-CB 3.48Å; Q133-T137 PolarHBondContact O-N 3.14Å; Q133-T137 PolarHBondContact O-OG1 3.44Å; Q134-T137 PolarHBondContact O-N 3.15Å; T137-Q140 PolarHBondContact O-N 2.98Å; T137-Q141 WeakPolarHBondContact O-CG 3.26Å; T137-Q141 PolarHBondContact O-N 2.73Å
138L85.9Confident85.9Confident96 Ų9685.9 Ų85.950%0.50341%0.411SS..Hα-helixtrans-64.3-39.9176.5-73.3169.4000112.1Q134 E135 Q141 A142Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 3.38Å; E135-L138 PolarHBondContact O-N 3.37Å; L138-Q141 PolarHBondContact O-N 3.45Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3Å
139A83.4Confident85.4Confident18 Ų1893.5 Ų93.515%0.14944%0.439CS..Hα-helixtrans-64.9-42.3176.800000111.4P2 V4 E135 D136 A142 Y143P2-A139 HydrophobicContact CB-CB 4.32Å; V4-A139 HydrophobicContact CG2-CB 4.21Å; E135-A139 VanDerWaalsContact O-CB 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.5Å; E135-A139 PolarHBondContact O-N 2.93Å; D136-A139 PolarHBondContact O-N 2.95Å; A139-A142 PolarHBondContact O-N 3.42Å; A139-Y143 WeakPolarHBondContact O-CB 3.48Å; A139-Y143 WeakPolarHBondContact O-CD2 3.49Å; A139-Y143 PolarHBondContact O-N 2.9Å
140Q81.4Confident84.9Confident119 Ų11990 Ų9056%0.55643%0.431SS*.Hα-helixtrans-61.3-47.4175-74.1175.26.200111.5D136 T137 A142 Y143 E144D136-Q140 WeakPolarHBondContact O-CB 3.44Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.08Å; T137-Q140 PolarHBondContact O-N 2.98Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.37Å; Q140-Y143 WeakPolarHBondContact O-CB 3.35Å; Q140-Y143 PolarHBondContact O-N 3.31Å; Q140-Y143 VanDerWaalsContact O-N 3.15Å; Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 3.22Å
141Q83.4Confident84.7Confident103 Ų10389.2 Ų89.248%0.48142%0.422SS..Hα-helixtrans-58-46.3175.5-72.7174.3-2.400111.8T137 L138 Y143 E144 D145T137-Q141 WeakPolarHBondContact O-CG 3.26Å; T137-Q141 PolarHBondContact O-N 2.73Å; L138-Q141 PolarHBondContact O-N 3.45Å; Q141-Y143 VanDerWaalsContact C-N 3.3Å; Q141-Y143 PolarHBondContact O-N 3.02Å; Q141-E144 PolarHBondContact O-N 3.05Å; Q141-D145 WeakPolarHBondContact O-CB 3.45Å; Q141-D145 PolarHBondContact O-N 3.44Å
142A82.9Confident84.5Confident52 Ų5291.5 Ų91.543%0.4344%0.435SS..Hα-helixtrans-62.3-37.5177.300000112.3L138 A139 Q140 V146L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3Å; A139-A142 PolarHBondContact O-N 3.42Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.37Å; A142-V146 VanDerWaalsContact O-CG2 3.24Å; A142-V146 WeakPolarHBondContact O-CG2 3.25Å; A142-V146 PolarHBondContact O-N 3.29Å
143Y79.4Confident84Confident143 Ų14398.4 Ų98.456%0.56147%0.465SS*.Hα-helixtrans-66.6-44.2174.6-90.8-62.1000112.6P2 A139 Q140 Q141 D145 V146 R147P2-Y143 HydrophobicContact CB-CE2 4.17Å; P2-Y143 HydrophobicContact CG-CD2 4.3Å; P2-Y143 HydrophobicContact CG-CE1 4.36Å; P2-Y143 HydrophobicContact CG-CE2 3.25Å; P2-Y143 WeakPolarHBondContact CG-OH 3.36Å; A139-Y143 WeakPolarHBondContact O-CB 3.48Å; A139-Y143 WeakPolarHBondContact O-CD2 3.49Å; A139-Y143 PolarHBondContact O-N 2.9Å; Q140-Y143 WeakPolarHBondContact O-CB 3.35Å; Q140-Y143 PolarHBondContact O-N 3.31Å; Q140-Y143 VanDerWaalsContact O-N 3.15Å; Q141-Y143 VanDerWaalsContact C-N 3.3Å; Q141-Y143 PolarHBondContact O-N 3.02Å; Y143-D145 VanDerWaalsContact C-N 3.35Å; Y143-V146 PolarHBondContact O-N 3.34Å; Y143-R147 VanDerWaalsContact O-CB 3.29Å; Y143-R147 WeakPolarHBondContact O-CB 3.38Å; Y143-R147 PolarHBondContact O-N 3.49Å
144E82.4Confident83.8Confident133 Ų13399 Ų9962%0.62147%0.468SS*.Hα-helixtrans-63.3-41.9177.3-73.4-177.3170.400111.5Q140 Q141 R147 R148Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 3.22Å; Q141-E144 PolarHBondContact O-N 3.05Å; E144-R147 PolarHBondContact O-N 2.95Å; E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 PolarHBondContact O-N 3.44Å
145D84.1Confident83.6Confident82 Ų8298.9 Ų98.944%0.43947%0.47SS..Hα-helixtrans-62.1-44.5175.5-81.5-16.6000112Q141 Y143 R148 R149Q141-D145 WeakPolarHBondContact O-CB 3.45Å; Q141-D145 PolarHBondContact O-N 3.44Å; Y143-D145 VanDerWaalsContact C-N 3.35Å; D145-R148 PolarHBondContact O-N 2.93Å; D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 VanDerWaalsContact O-CG 3.25Å; D145-R149 WeakPolarHBondContact O-CG 3.24Å; D145-R149 PolarHBondContact O-N 3.36Å
146V81.7Confident83.3Confident93 Ų93106.7 Ų106.756%0.56450%0.499SS*.Hα-helixtrans-64.4-43.4176170.80000110.7A142 Y143 R148 R149 A150A142-V146 VanDerWaalsContact O-CG2 3.24Å; A142-V146 WeakPolarHBondContact O-CG2 3.25Å; A142-V146 PolarHBondContact O-N 3.29Å; Y143-V146 PolarHBondContact O-N 3.34Å; V146-R148 PolarHBondContact O-N 2.86Å; V146-R149 PolarHBondContact O-N 3.36Å; V146-A150 WeakPolarHBondContact O-CB 3.45Å; V146-A150 PolarHBondContact O-N 2.78Å
147R83.3Confident83.1Confident155 Ų155108 Ų10859%0.58551%0.506SS*.Hα-helixtrans-63.6-40.6177.9-175.4-178.8-178.3-177.63.7111.9Y143 E144 A150 R151Y143-R147 VanDerWaalsContact O-CB 3.29Å; Y143-R147 WeakPolarHBondContact O-CB 3.38Å; Y143-R147 PolarHBondContact O-N 3.49Å; E144-R147 PolarHBondContact O-N 2.95Å; R147-A150 PolarHBondContact O-N 3.06Å; R147-R151 VanDerWaalsContact CZ-NH2 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.47Å; R147-R151 PolarHBondContact O-N 2.87Å
148R83.5Confident83Confident164 Ų164113.5 Ų113.562%0.61952%0.52SS*.Hα-helixtrans-63.8-48175.7-176.4-179.1175.7-169.21.9110.7E144 D145 V146 A150 R151 D152E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 PolarHBondContact O-N 3.44Å; D145-R148 PolarHBondContact O-N 2.93Å; V146-R148 PolarHBondContact O-N 2.86Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 2.9Å; R148-R151 PolarHBondContact O-N 3.16Å; R148-D152 WeakPolarHBondContact O-CB 3.48Å; R148-D152 VanDerWaalsContact O-CG 3.23Å; R148-D152 PolarHBondContact O-N 3.35Å
149R84.4Confident82.9Confident179 Ų179112 Ų11268%0.67552%0.518SS*.Hα-helixtrans-60.2-38.3176.5-72.2174.4-171.8-176.46.2112.7D145 V146 F153D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 VanDerWaalsContact O-CG 3.25Å; D145-R149 WeakPolarHBondContact O-CG 3.24Å; D145-R149 PolarHBondContact O-N 3.36Å; V146-R149 PolarHBondContact O-N 3.36Å; R149-F153 WeakPolarHBondContact O-CB 3.36Å; R149-F153 PolarHBondContact O-N 2.96Å
150A83.6Confident82.9Confident48 Ų48116.5 Ų116.540%0.39754%0.536SS..Hα-helixtrans-64.5-46.417600000111.6V146 R147 R148 F153 E154V146-A150 WeakPolarHBondContact O-CB 3.45Å; V146-A150 PolarHBondContact O-N 2.78Å; R147-A150 PolarHBondContact O-N 3.06Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 2.9Å; A150-F153 WeakPolarHBondContact O-CB 3.29Å; A150-F153 PolarHBondContact O-N 3.25Å; A150-E154 WeakPolarHBondContact O-CG 3.48Å; A150-E154 PolarHBondContact O-N 2.94Å
151R85.4Confident83Confident125 Ų125117.9 Ų117.947%0.47254%0.536SS..Hα-helixtrans-61-47.9174.7-74175.5176.6168.1-8.3112.4R147 R148 F153 E154 D155R147-R151 VanDerWaalsContact CZ-NH2 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.47Å; R147-R151 PolarHBondContact O-N 2.87Å; R148-R151 PolarHBondContact O-N 3.16Å; R151-F153 PolarHBondContact O-N 3.37Å; R151-E154 PolarHBondContact O-N 3.13Å; R151-E154 VanDerWaalsContact O-N 3.13Å; R151-D155 WeakPolarHBondContact O-CB 3.44Å; R151-D155 PolarHBondContact O-N 3.24Å
152D83.8Confident82.9Confident68 Ų68117.1 Ų117.136%0.36454%0.535SS..Hα-helixtrans-59.3-32.6178.5-67.8-14.3000111.4R148 R156R148-D152 WeakPolarHBondContact O-CB 3.48Å; R148-D152 VanDerWaalsContact O-CG 3.23Å; R148-D152 PolarHBondContact O-N 3.35Å; D152-R156 WeakPolarHBondContact O-CB 3.5Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.2Å
153F79.8Confident82.8Confident150 Ų150119.2 Ų119.266%0.65854%0.539SS*.Hα-helixtrans-73.9-44.5175.6-167.8-92.1000112.2R149 A150 R151 D155 R156 D157R149-F153 WeakPolarHBondContact O-CB 3.36Å; R149-F153 PolarHBondContact O-N 2.96Å; A150-F153 WeakPolarHBondContact O-CB 3.29Å; A150-F153 PolarHBondContact O-N 3.25Å; R151-F153 PolarHBondContact O-N 3.37Å; F153-D155 VanDerWaalsContact C-N 3.35Å; F153-D155 PolarHBondContact O-N 3.04Å; F153-R156 PolarHBondContact O-N 3.5Å; F153-D157 PolarHBondContact O-N 2.86Å
154E84.4Confident82.6Confident131 Ų131117.2 Ų117.261%0.61254%0.536SS*.Hα-helixtrans-60.7-42.2175.1-73.2174.3-178.300112A150 R151 D157 R158A150-E154 WeakPolarHBondContact O-CG 3.48Å; A150-E154 PolarHBondContact O-N 2.94Å; R151-E154 PolarHBondContact O-N 3.13Å; R151-E154 VanDerWaalsContact O-N 3.13Å; E154-D157 PolarHBondContact O-N 2.96Å; E154-R158 WeakPolarHBondContact O-CB 3.48Å; E154-R158 PolarHBondContact O-N 3.35Å
155D82.4Confident82.4Confident99 Ų99116.3 Ų116.353%0.52953%0.532SS..Hα-helixtrans-66.7-39178.3-74.3-19.4000111.6R151 F153 R158 S159R151-D155 WeakPolarHBondContact O-CB 3.44Å; R151-D155 PolarHBondContact O-N 3.24Å; F153-D155 VanDerWaalsContact C-N 3.35Å; F153-D155 PolarHBondContact O-N 3.04Å; D155-R158 PolarHBondContact O-N 3.43Å; D155-S159 WeakPolarHBondContact O-CB 3.27Å; D155-S159 PolarHBondContact O-N 2.91Å
156R82.4Confident82Confident188 Ų188114.4 Ų114.471%0.70953%0.527SS*.Hα-helixtrans-66.2-41.9173.7-77175.1-175.4-175.43.1112.5D152 F153 R158 S159 H160D152-R156 WeakPolarHBondContact O-CB 3.5Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.2Å; F153-R156 PolarHBondContact O-N 3.5Å; R156-R158 VanDerWaalsContact C-N 3.32Å; R156-S159 PolarHBondContact O-N 2.87Å; R156-H160 VanDerWaalsContact O-CB 3.27Å; R156-H160 WeakPolarHBondContact O-CB 3.38Å; R156-H160 PolarHBondContact O-N 3.39Å
157D82.1Confident81.5Confident69 Ų69119 Ų11937%0.36954%0.535SS..Hα-helixtrans-63.5-41.2176.7-169.361.7000110.8F153 E154 H160 R161F153-D157 PolarHBondContact O-N 2.86Å; E154-D157 PolarHBondContact O-N 2.96Å; D157-H160 PolarHBondContact O-N 3.11Å; D157-R161 WeakPolarHBondContact O-CG 3.46Å; D157-R161 PolarHBondContact O-N 3.32Å; D157-R161 IonicContact OD2-CZ 3.1Å; D157-R161 IonicContact OD2-NE 3.59Å; D157-R161 PolarHBondContact OD2-NE 3.46Å; D157-R161 IonicContact OD2-NH2 2.69Å; D157-R161 PolarHBondContact OD2-NH2 2.89Å; D157-R161 VanDerWaalsContact OD2-NH2 3.16Å
158R83.8Confident80.7Confident168 Ų168121 Ų12163%0.63454%0.542SS*.Hα-helixtrans-63.2-51174.9-171.6177.9-68.7-176.5-0.2111.8E154 D155 R156 H160 R161 D162E154-R158 WeakPolarHBondContact O-CB 3.48Å; E154-R158 PolarHBondContact O-N 3.35Å; D155-R158 PolarHBondContact O-N 3.43Å; R156-R158 VanDerWaalsContact C-N 3.32Å; R158-H160 VanDerWaalsContact C-N 3.27Å; R158-H160 PolarHBondContact O-N 2.98Å; R158-R161 WeakPolarHBondContact O-CB 3.23Å; R158-R161 PolarHBondContact O-N 3.43Å; R158-R161 VanDerWaalsContact O-N 3.11Å; R158-D162 PolarHBondContact O-N 3.47Å
159S82.5Confident79.7Confident65 Ų65120.8 Ų120.846%0.45555%0.548SS..Hα-helixtrans-57.1-41.5176.8-178.60000111.9D155 R156 D162 D163D155-S159 WeakPolarHBondContact O-CB 3.27Å; D155-S159 PolarHBondContact O-N 2.91Å; R156-S159 PolarHBondContact O-N 2.87Å; S159-D162 PolarHBondContact O-N 3.2Å; S159-D163 WeakPolarHBondContact O-CB 3.45Å; S159-D163 PolarHBondContact O-N 2.98Å
160H84.2Confident78.5Confident113 Ų113119.5 Ų119.552%0.52355%0.55SS..Hα-helixtrans-67.4-35.8178.3-176.5-87.5000112.5R156 D157 R158 M164R156-H160 VanDerWaalsContact O-CB 3.27Å; R156-H160 WeakPolarHBondContact O-CB 3.38Å; R156-H160 PolarHBondContact O-N 3.39Å; D157-H160 PolarHBondContact O-N 3.11Å; R158-H160 VanDerWaalsContact C-N 3.27Å; R158-H160 PolarHBondContact O-N 2.98Å; H160-M164 PolarHBondContact O-N 3.3Å; H160-M164 VanDerWaalsContact O-N 3.08Å
161R82.4Confident77.1Confident148 Ų148123.5 Ų123.556%0.55857%0.565SS**Hα-helixtrans-65.7-48.8172.4-77.5-178.5-171.2178.47.4111.6D157 R158 D163 M164 E165D157-R161 WeakPolarHBondContact O-CG 3.46Å; D157-R161 PolarHBondContact O-N 3.32Å; D157-R161 IonicContact OD2-CZ 3.1Å; D157-R161 IonicContact OD2-NE 3.59Å; D157-R161 PolarHBondContact OD2-NE 3.46Å; D157-R161 IonicContact OD2-NH2 2.69Å; D157-R161 PolarHBondContact OD2-NH2 2.89Å; D157-R161 VanDerWaalsContact OD2-NH2 3.16Å; R158-R161 WeakPolarHBondContact O-CB 3.23Å; R158-R161 PolarHBondContact O-N 3.43Å; R158-R161 VanDerWaalsContact O-N 3.11Å; R161-D163 VanDerWaalsContact C-N 3.29Å; R161-D163 PolarHBondContact O-N 2.9Å; R161-M164 PolarHBondContact O-N 3.49Å; R161-M164 VanDerWaalsContact O-N 3.12Å; R161-E165 PolarHBondContact O-N 2.97Å
162D83.3Confident75.4Confident87 Ų87122.8 Ų122.847%0.46558%0.576SS.*Hα-helixtrans-60.4-41.2179.9-65.9-12.1000110.7R158 S159 E165 A166R158-D162 PolarHBondContact O-N 3.47Å; S159-D162 PolarHBondContact O-N 3.2Å; D162-E165 PolarHBondContact O-N 2.85Å; D162-A166 WeakPolarHBondContact O-CB 3.35Å; D162-A166 PolarHBondContact O-N 3.48Å
163D79.1Confident73.7Confident96 Ų96124.6 Ų124.651%0.51359%0.594SS.*Hα-helixtrans-64.1-40174.6-78.9-18000112.7S159 R161 R167S159-D163 WeakPolarHBondContact O-CB 3.45Å; S159-D163 PolarHBondContact O-N 2.98Å; R161-D163 VanDerWaalsContact C-N 3.29Å; R161-D163 PolarHBondContact O-N 2.9Å; D163-R167 WeakPolarHBondContact O-CB 3.38Å; D163-R167 WeakPolarHBondContact O-CG 3.46Å; D163-R167 PolarHBondContact O-N 3.43Å
164M76.9Confident72.3Confident100 Ų100123.5 Ų123.549%0.49360%0.602SS.*Hα-helixtrans-66.5-39.7174.8-93.4-132.5-74.600112.2H160 R161 R167 R168H160-M164 PolarHBondContact O-N 3.3Å; H160-M164 VanDerWaalsContact O-N 3.08Å; R161-M164 PolarHBondContact O-N 3.49Å; R161-M164 VanDerWaalsContact O-N 3.12Å; M164-R167 PolarHBondContact O-N 3.26Å; M164-R168 WeakPolarHBondContact O-CG 3.34Å; M164-R168 PolarHBondContact O-N 2.95Å
165E78.1Confident70.7Confident114 Ų114120.5 Ų120.553%0.53361%0.606SS.*Hα-helixtrans-67.1-41.6175.7-73.2-173.9-176.700111.6R161 D162 R167 R168 Q169R161-E165 PolarHBondContact O-N 2.97Å; D162-E165 PolarHBondContact O-N 2.85Å; E165-R167 PolarHBondContact O-N 3.33Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 3.08Å
166A75.1Confident69.1Low42 Ų42120.9 Ų120.935%0.34762%0.617SS.*Hα-helixtrans-62.2-41.7174.700000112D162 Q169 Q170D162-A166 WeakPolarHBondContact O-CB 3.35Å; D162-A166 PolarHBondContact O-N 3.48Å; A166-Q169 PolarHBondContact O-N 3.12Å; A166-Q170 WeakPolarHBondContact O-CG 3.42Å; A166-Q170 PolarHBondContact O-N 3.03Å
167R71.1Confident67.2Low190 Ų190120.1 Ų120.172%0.71763%0.627SS**Hα-helixtrans-64.2-40.6173.8-76.5-179.6-179.9-161.41.2112.5D163 M164 E165 Q169 Q170 D171D163-R167 WeakPolarHBondContact O-CB 3.38Å; D163-R167 WeakPolarHBondContact O-CG 3.46Å; D163-R167 PolarHBondContact O-N 3.43Å; M164-R167 PolarHBondContact O-N 3.26Å; E165-R167 PolarHBondContact O-N 3.33Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 2.93Å; R167-Q170 PolarHBondContact O-N 3.33Å; R167-D171 PolarHBondContact O-N 3.12Å
168R66.6Low65.6Low196 Ų196124.5 Ų124.574%0.7465%0.649SS**Hα-helixtrans-63.7-33.4174.5-80.3-177.9176.6-166.6-0.3113.1M164 E165M164-R168 WeakPolarHBondContact O-CG 3.34Å; M164-R168 PolarHBondContact O-N 2.95Å; E165-R168 PolarHBondContact O-N 2.9Å
169Q62.2Low64Low160 Ų160119.6 Ų119.675%0.74865%0.651SS**Hα-helixtrans-78.2-22.3176.4-69.8178.243.400112.8E165 A166 R167E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 3.08Å; A166-Q169 PolarHBondContact O-N 3.12Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 2.93Å
170Q59Low62.1Low152 Ų152123 Ų12371%0.7168%0.675SS**Hα-helixtrans-87.2-12.6176.9-76-179.723.300114.7A166 R167 P172A166-Q170 WeakPolarHBondContact O-CG 3.42Å; A166-Q170 PolarHBondContact O-N 3.03Å; R167-Q170 PolarHBondContact O-N 3.33Å; Q170-P172 VanDerWaalsContact C-CD 3.42Å; Q170-P172 WeakPolarHBondContact O-CD 2.95Å
171D53.7Low60.5Low133 Ų133121 Ų12171%0.71169%0.685SS**  trans-95.788.1167.8-93.3-28.9000110.4R167 S173R167-D171 PolarHBondContact O-N 3.12Å; D171-S173 PolarHBondContact O-N 3.21Å; D171-S173 VanDerWaalsContact O-N 3.12Å
172P49.5Very low58.9Low110 Ų110121 Ų12171%0.71470%0.696SS**  trans-67.7109.8157.729.4-28.2000106.2Q170Q170-P172 VanDerWaalsContact C-CD 3.42Å; Q170-P172 WeakPolarHBondContact O-CD 2.95Å
173S49.9Very low57Low106 Ų106124.5 Ų124.574%0.74171%0.709SS**  trans-46130.4170.2-69.20000109.3D171 G175D171-S173 PolarHBondContact O-N 3.21Å; D171-S173 VanDerWaalsContact O-N 3.12Å; S173-G175 PolarHBondContact O-N 3.22Å; S173-G175 VanDerWaalsContact O-N 3.11Å
174P49.6Very low55.4Low127 Ų127127.1 Ų127.183%0.82572%0.722SS**  trans-59.1123.1170.5-10.522.6000106.7S176P174-S176 PolarHBondContact O-N 3.04Å
175G50.4Low54.1Low67 Ų67130.5 Ų130.569%0.69173%0.734SS**  trans-44.8131-175.500000112.5S173 N177S173-G175 PolarHBondContact O-N 3.22Å; S173-G175 VanDerWaalsContact O-N 3.11Å; G175-N177 VanDerWaalsContact C-N 3.32Å; G175-N177 PolarHBondContact O-N 2.91Å
176S48.8Very low52.6Low108 Ų108132.8 Ų132.876%0.75575%0.75SS**  trans-56.292.416032.70000109.7P174 L178P174-S176 PolarHBondContact O-N 3.04Å; S176-L178 PolarHBondContact O-N 3.11Å
177N42.9Very low51.1Low172 Ų172145.9 Ų145.992%0.9279%0.79SS**  trans-79.379.3165.8-120.320.2000108.5G175G175-N177 VanDerWaalsContact C-N 3.32Å; G175-N177 PolarHBondContact O-N 2.91Å
178L49.1Very low50.1Low161 Ų161143.7 Ų143.784%0.84379%0.794SS**  trans-75.9114.4163.3-88.7157.7000108.7S176S176-L178 PolarHBondContact O-N 3.11Å
179G49.6Very low49.2Very low65 Ų65140.9 Ų140.967%0.6780%0.796SS**  trans75.798.2143.700000118.1
180S43.1Very low48.5Very low137 Ų137139.8 Ų139.896%0.95880%0.799SS**  trans-155.881.2141.8-83.30000109.1
181G50.6Low47.8Very low71 Ų71139.1 Ų139.173%0.73280%0.804SS**  trans-129.193.416400000107.6
182D48.1Very low47.5Very low148 Ų148139.5 Ų139.579%0.79181%0.81SS**  trans165.7103.5135.7-98.9-26.3000110
183E43.6Very low47.3Very low159 Ų159141.5 Ų141.574%0.74382%0.817SS**  trans-120.284.5153.2-151.6-172.6137.500107.3K185E183-K185 PolarHBondContact O-N 3.4Å; E183-K185 WeakPolarHBondContact OE1-CE 3.22Å; E183-K185 IonicContact OE1-NZ 3.52Å
184L46.4Very low47.2Very low151 Ų151144 Ų14479%0.79182%0.822SS**  trans-67.4104.8166-117.8110.2000108.2
185K48.7Very low47Very low171 Ų171145.3 Ų145.374%0.74382%0.822SS**  trans-93.7116.9161.6-85.5-176.6178.9161.50110.1E183 R187E183-K185 PolarHBondContact O-N 3.4Å; E183-K185 WeakPolarHBondContact OE1-CE 3.22Å; E183-K185 IonicContact OE1-NZ 3.52Å; K185-R187 PolarHBondContact O-N 3.22Å
186L46.9Very low46.7Very low163 Ų163151.8 Ų151.885%0.85383%0.833SS**  trans-40.7121.3159.3-105.970000111.9
187R42.5Very low46.5Very low316 Ų316155.8 Ų155.8100%1.19284%0.84SS**  -174.90114.4-114.7-179.6169.8179.1-2.8112.3K185K185-R187 PolarHBondContact O-N 3.22Å

Retrieved 187 of 187 residues in 64.3 ms (Link to these results)