A0A096NJA6_PAPAN Loading...

Core-binding factor subunit beta

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

AlphaFold DB (A0A803KIN1), UniProt , Accession A0A096NJA6, Species PAPAN (Papio anubis, Olive baboon), Gene CBFB, 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
1M52.6Low78.7Confident231 Ų23192.6 Ų92.6100%1.13847%0.473SS*.  0136.80-80178.6167.800107.9
2P60.7Low79.8Confident94 Ų9486.8 Ų86.861%0.6144%0.442SS*.  trans-61.8137.9-179.424.9-31.8000110.4V4 A139P2-V4 VanDerWaalsContact C-N 3.34Å; P2-A139 HydrophobicContact CB-CB 4.15Å
3R72.3Confident80.6Confident152 Ų15287.8 Ų87.857%0.57444%0.444SS*.SBendtrans-79.6-20.4-179.5-63.2178.873.4-176.46.6112.5I102R3-I102 HydrophobicContact CB-CD1 4.43Å
4V82.1Confident81.3Confident9 Ų989.6 Ų89.66%0.05546%0.455CS..SBendtrans-120.3152.9-176.7-650000111.5P2 Q8 I102 G105 E135 A139P2-V4 VanDerWaalsContact C-N 3.34Å; V4-Q8 HydrophobicContact CB-CG 4.5Å; V4-I102 HydrophobicContact CG1-CD1 4.26Å; V4-I102 HydrophobicContact CG1-CG2 4.2Å; V4-G105 CarbonylContact C-O 3.58Å; V4-G105 VanDerWaalsContact CA-O 3.25Å; V4-G105 WeakPolarHBondContact CA-O 3.32Å; V4-G105 WeakPolarHBondContact CB-O 3.44Å; V4-E135 HydrophobicContact CG1-CB 3.7Å; V4-E135 HydrophobicContact CG1-CG 4.37Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; V4-A139 HydrophobicContact CG2-CB 3.92Å
5V81.1Confident82Confident40 Ų4087.8 Ų87.824%0.24244%0.444CS..  trans-87.8154.3174.5-670000111.1Q8 K11 G105 V106V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.02Å; V5-K11 HydrophobicContact CG2-CD 3.66Å; V5-G105 WeakPolarHBondContact CG2-O 3.24Å; V5-G105 PolarHBondContact N-O 2.87Å; V5-V106 HydrophobicContact CG2-CG2 4.19Å
6P76.4Confident82.4Confident103 Ų10390.2 Ų90.267%0.66945%0.453SS*.THydrogen-bonded Turntrans-58.5151.2164.5-20.432.7000111.3Q8P6-Q8 VanDerWaalsContact C-N 3.33Å; P6-Q8 PolarHBondContact O-N 3.26Å
7D83.9Confident82.9Confident133 Ų13388.5 Ų88.571%0.71144%0.442SS*.THydrogen-bonded Turntrans52.844.3175.7-60.5-59.1000114.3R9 S10 K11D7-R9 PolarHBondContact O-N 2.63Å; D7-S10 WeakPolarHBondContact O-CB 2.98Å; D7-S10 PolarHBondContact O-N 2.82Å; D7-K11 PolarHBondContact O-N 2.85Å; D7-K11 VanDerWaalsContact O-N 3.12Å
8Q87.8Confident83.3Confident9 Ų983.6 Ų83.64%0.04242%0.418CS..Hα-helixtrans-48.4-40.7-176.8-59.7-177.148.700113.3V4 V5 P6 K11 F12 V106 C107 F127 A132V4-Q8 HydrophobicContact CB-CG 4.5Å; V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.02Å; P6-Q8 VanDerWaalsContact C-N 3.33Å; P6-Q8 PolarHBondContact O-N 3.26Å; Q8-K11 PolarHBondContact O-N 3.15Å; Q8-F12 PolarHBondContact O-N 2.74Å; Q8-V106 HydrophobicContact CB-CG1 4.27Å; Q8-C107 PolarHBondContact OE1-SG 3.36Å; Q8-F127 HydrophobicContact CB-CE2 3.79Å; Q8-F127 HydrophobicContact CB-CZ 4.08Å; Q8-A132 PolarHBondContact NE2-O 3.4Å
9R88.8Confident83.7Confident127 Ų12786.3 Ų86.348%0.47942%0.423SS..Hα-helixtrans-61.7-46.7178.5-176.1173.4-177.6156.30.7112.4D7 K11 F12 E13 F127 E129D7-R9 PolarHBondContact O-N 2.63Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.2Å; R9-F12 PolarHBondContact O-N 3.06Å; R9-E13 WeakPolarHBondContact CG-OE1 3.35Å; R9-E13 IonicContact CZ-OE1 2.61Å; R9-E13 IonicContact NE-OE1 2.75Å; R9-E13 PolarHBondContact NE-OE1 3.16Å; R9-E13 IonicContact NH2-OE1 2.73Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.11Å; R9-F127 HydrophobicContact CB-CE1 3.96Å; R9-F127 HydrophobicContact CB-CE2 4.5Å; R9-F127 HydrophobicContact CB-CZ 3.92Å; R9-F127 HydrophobicContact CG-CE1 4.3Å; R9-E129 IonicContact NH1-OE1 3.06Å; R9-E129 PolarHBondContact NH1-OE1 3.44Å
10S90.4Very high84Confident59 Ų5987 Ų8741%0.41342%0.423SS..Hα-helixtrans-61.4-41.4177.1-179.40000110.9D7 E13 N14D7-S10 WeakPolarHBondContact O-CB 2.98Å; D7-S10 PolarHBondContact O-N 2.82Å; S10-E13 PolarHBondContact O-N 3.03Å; S10-N14 VanDerWaalsContact O-CB 3.23Å; S10-N14 WeakPolarHBondContact O-CB 3.23Å; S10-N14 PolarHBondContact O-N 3.19Å; S10-N14 PolarHBondContact O-ND2 3.27Å; S10-N14 PolarHBondContact OG-ND2 3.46Å
11K89.8Confident84.3Confident62 Ų6282.9 Ų82.927%0.2740%0.403SS..Hα-helixtrans-63.1-44.6175.9-171171.9-179-179.40111.9V5 D7 Q8 R9 E13 E15 N104 V106V5-K11 HydrophobicContact CG2-CD 3.66Å; D7-K11 PolarHBondContact O-N 2.85Å; D7-K11 VanDerWaalsContact O-N 3.12Å; Q8-K11 PolarHBondContact O-N 3.15Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.2Å; K11-E13 PolarHBondContact O-N 3.38Å; K11-E15 WeakPolarHBondContact CE-OE2 3.44Å; K11-E15 VanDerWaalsContact CG-OE2 3.26Å; K11-E15 WeakPolarHBondContact CG-OE2 3.24Å; K11-E15 WeakPolarHBondContact O-CB 3.33Å; K11-E15 PolarHBondContact O-N 3.39Å; K11-N104 PolarHBondContact NZ-O 2.88Å; K11-V106 HydrophobicContact CB-CG2 4.04Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.96Å
12F91.4Very high86.2Confident22 Ų2274 Ų7410%0.09636%0.364CS..Hα-helixtrans-60.6-42.8176.7-174.3-95.1000112.6Q8 R9 F18 V106 V108 L125 F127Q8-F12 PolarHBondContact O-N 2.74Å; R9-F12 PolarHBondContact O-N 3.06Å; F12-F18 HydrophobicContact CD2-CB 3.89Å; F12-F18 AromaticContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CE1 4.34Å; F12-F18 AromaticContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CE2-CB 4.17Å; F12-F18 AromaticContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CG 4.27Å; F12-F18 HydrophobicContact CG-CB 4.34Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.16Å; F12-V106 HydrophobicContact CB-CG1 3.99Å; F12-V106 HydrophobicContact CD2-CG1 4.16Å; F12-V108 HydrophobicContact CD2-CG1 3.67Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F12-L125 HydrophobicContact CE2-CB 4.29Å; F12-F127 HydrophobicContact CB-CD2 4.03Å; F12-F127 HydrophobicContact CD1-CB 3.82Å; F12-F127 HydrophobicContact CD2-CB 4.38Å; F12-F127 HydrophobicContact CD2-CD2 4.43Å; F12-F127 HydrophobicContact CE1-CB 3.93Å; F12-F127 HydrophobicContact CE2-CB 4.48Å; F12-F127 HydrophobicContact CG-CB 4.05Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.27Å
13E90.6Very high87.6Confident101 Ų10177.7 Ų77.747%0.47237%0.366SS..Hα-helixtrans-76.3-33.3-176.8-70.7175.5-175.500113R9 S10 K11 R19R9-E13 WeakPolarHBondContact CG-OE1 3.35Å; R9-E13 IonicContact CZ-OE1 2.61Å; R9-E13 IonicContact NE-OE1 2.75Å; R9-E13 PolarHBondContact NE-OE1 3.16Å; R9-E13 IonicContact NH2-OE1 2.73Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.11Å; S10-E13 PolarHBondContact O-N 3.03Å; K11-E13 PolarHBondContact O-N 3.38Å; E13-R19 WeakPolarHBondContact O-CD 3.41Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.47Å
14N90.2Very high88.5Confident112 Ų11276.9 Ų76.960%0.59937%0.369SS*.Hα-helixtrans-96.5-30.8-172.8-68.8-51.7000114.2S10 E16S10-N14 VanDerWaalsContact O-CB 3.23Å; S10-N14 WeakPolarHBondContact O-CB 3.23Å; S10-N14 PolarHBondContact O-N 3.19Å; S10-N14 PolarHBondContact O-ND2 3.27Å; S10-N14 PolarHBondContact OG-ND2 3.46Å; N14-E16 PolarHBondContact O-N 3.44Å
15E92.4Very high89Confident63 Ų6377.2 Ų77.229%0.29437%0.372SS..  trans-74.2125.6-175.5-164.5178.7162.200110.9K11 F17 F18 R19K11-E15 WeakPolarHBondContact CE-OE2 3.44Å; K11-E15 VanDerWaalsContact CG-OE2 3.26Å; K11-E15 WeakPolarHBondContact CG-OE2 3.24Å; K11-E15 WeakPolarHBondContact O-CB 3.33Å; K11-E15 PolarHBondContact O-N 3.39Å; E15-F17 HydrophobicContact CG-CB 4.24Å; E15-F17 PolarHBondContact O-N 3.08Å; E15-F17 VanDerWaalsContact O-N 3.14Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.46Å; E15-F18 PolarHBondContact O-N 3.42Å; E15-F18 VanDerWaalsContact O-N 3.09Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.41Å; E15-R19 WeakPolarHBondContact O-CG 3.14Å; E15-R19 PolarHBondContact O-N 3.1Å
16E88.9Confident89.7Confident126 Ų12679.1 Ų79.159%0.58938%0.378SS*.Hα-helixtrans-56.8-35.1-176.3-170.8-175.217300112.3N14 R19 K20N14-E16 PolarHBondContact O-N 3.44Å; E16-R19 PolarHBondContact O-N 3.28Å; E16-K20 HydrophobicContact CG-CD 4.24Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 2.98Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.63Å; E16-K20 PolarHBondContact OE1-NZ 3.04Å
17F89.4Confident90.6Very high61 Ų6174.2 Ų74.227%0.26835%0.346SS..Hα-helixtrans-56.2-52.8175.9175.6-88.2000111.7E15 K20 L21 T62 L103E15-F17 HydrophobicContact CG-CB 4.24Å; E15-F17 PolarHBondContact O-N 3.08Å; E15-F17 VanDerWaalsContact O-N 3.14Å; F17-K20 PolarHBondContact O-N 3.13Å; F17-L21 HydrophobicContact CD1-CD1 4.32Å; F17-L21 HydrophobicContact CE1-CD1 3.53Å; F17-L21 HydrophobicContact CE2-CD1 3.82Å; F17-L21 HydrophobicContact CZ-CD1 3.27Å; F17-L21 HydrophobicContact CZ-CG 4.45Å; F17-L21 WeakPolarHBondContact O-CG 3.18Å; F17-L21 PolarHBondContact O-N 3.07Å; F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.12Å; F17-L103 HydrophobicContact CD1-CD2 4.2Å; F17-L103 HydrophobicContact CE1-CD2 3.16Å; F17-L103 HydrophobicContact CZ-CD2 3.66Å
18F90.7Very high91.2Very high0 Ų072 Ų720%033%0.33CS..Hα-helixtrans-69.2-39.8179.1-72.4-65.2000112.1F12 E15 K20 L21 S22 L103 N104 V106 V108 L125F12-F18 HydrophobicContact CD2-CB 3.89Å; F12-F18 AromaticContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CD1 3.66Å; F12-F18 HydrophobicContact CD2-CE1 4.34Å; F12-F18 AromaticContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CD2-CG 3.77Å; F12-F18 HydrophobicContact CE2-CB 4.17Å; F12-F18 AromaticContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CD1 3.88Å; F12-F18 HydrophobicContact CE2-CG 4.27Å; F12-F18 HydrophobicContact CG-CB 4.34Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.16Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.46Å; E15-F18 PolarHBondContact O-N 3.42Å; E15-F18 VanDerWaalsContact O-N 3.09Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.41Å; F18-K20 VanDerWaalsContact C-N 3.25Å; F18-K20 PolarHBondContact O-N 3.44Å; F18-L21 CarbonylContact O-C 3.5Å; F18-L21 PolarHBondContact O-N 3.14Å; F18-L21 VanDerWaalsContact O-N 3.15Å; F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.44Å; F18-S22 PolarHBondContact O-N 2.87Å; F18-S22 PolarHBondContact O-OG 3.17Å; F18-L103 HydrophobicContact CE1-CB 4.25Å; F18-L103 HydrophobicContact CE1-CD2 3.6Å; F18-L103 HydrophobicContact CZ-CB 4.4Å; F18-L103 HydrophobicContact CZ-CD2 3.9Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; F18-N104 HydrophobicContact CZ-CB 4.29Å; F18-V106 HydrophobicContact CE1-CB 4.48Å; F18-V106 HydrophobicContact CE2-CB 4.23Å; F18-V106 HydrophobicContact CE2-CG2 3.81Å; F18-V106 HydrophobicContact CZ-CB 3.87Å; F18-V106 HydrophobicContact CZ-CG1 4.49Å; F18-V106 HydrophobicContact CZ-CG2 3.94Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.99Å; F18-L125 HydrophobicContact CD1-CD1 4.15Å; F18-L125 HydrophobicContact CE1-CD1 4.41Å
19R90.9Very high91.6Very high135 Ų13572 Ų7251%0.50933%0.33SS..Hα-helixtrans-60.8-33177.4-68.6179.470.1-1730.5113.5E13 E15 E16 S22E13-R19 WeakPolarHBondContact O-CD 3.41Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.47Å; E15-R19 WeakPolarHBondContact O-CG 3.14Å; E15-R19 PolarHBondContact O-N 3.1Å; E16-R19 PolarHBondContact O-N 3.28Å; R19-S22 PolarHBondContact O-OG 2.88Å
20K90.4Very high91.9Very high100 Ų10067.5 Ų67.544%0.43532%0.316SS..Hα-helixtrans-71.1-44.9174.7-78176.9179.4168.60111E16 F17 F18 C25 T60E16-K20 HydrophobicContact CG-CD 4.24Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CG 3.42Å; E16-K20 PolarHBondContact O-N 2.98Å; E16-K20 WeakPolarHBondContact OE1-CE 3.47Å; E16-K20 IonicContact OE1-NZ 2.63Å; E16-K20 PolarHBondContact OE1-NZ 3.04Å; F17-K20 PolarHBondContact O-N 3.13Å; F18-K20 VanDerWaalsContact C-N 3.25Å; F18-K20 PolarHBondContact O-N 3.44Å; K20-C25 PolarHBondContact O-SG 2.93Å; K20-C25 VanDerWaalsContact O-SG 3.38Å; K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.36Å
21L90.8Very high91.9Very high1 Ų164.9 Ų64.91%0.00530%0.298CS..Hα-helixtrans-81.6-15.8-176-61.7-173.2000114.2F17 F18 R23 F57 T60 T62 C124 L125F17-L21 HydrophobicContact CD1-CD1 4.32Å; F17-L21 HydrophobicContact CE1-CD1 3.53Å; F17-L21 HydrophobicContact CE2-CD1 3.82Å; F17-L21 HydrophobicContact CZ-CD1 3.27Å; F17-L21 HydrophobicContact CZ-CG 4.45Å; F17-L21 WeakPolarHBondContact O-CG 3.18Å; F17-L21 PolarHBondContact O-N 3.07Å; F18-L21 CarbonylContact O-C 3.5Å; F18-L21 PolarHBondContact O-N 3.14Å; F18-L21 VanDerWaalsContact O-N 3.15Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-F57 HydrophobicContact CB-CZ 4.43Å; L21-F57 HydrophobicContact CD1-CD2 4.36Å; L21-F57 HydrophobicContact CD1-CE2 4.22Å; L21-F57 HydrophobicContact CD2-CB 4.03Å; L21-F57 HydrophobicContact CD2-CD1 3.89Å; L21-F57 HydrophobicContact CD2-CD2 3.62Å; L21-F57 HydrophobicContact CD2-CE1 4.18Å; L21-F57 HydrophobicContact CD2-CE2 3.93Å; L21-F57 HydrophobicContact CD2-CG 3.58Å; L21-F57 HydrophobicContact CD2-CZ 4.19Å; L21-F57 HydrophobicContact CG-CE2 4.49Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; L21-C124 CarbonylContact O-C 3.48Å; L21-C124 VanDerWaalsContact O-CA 3.26Å; L21-C124 WeakPolarHBondContact O-CA 3.28Å; L21-L125 HydrophobicContact CB-CB 4.49Å; L21-L125 HydrophobicContact CB-CD1 3.67Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.8Å; L21-L125 HydrophobicContact CG-CD1 4.41Å; L21-L125 PolarHBondContact O-N 3.01Å
22S90.8Very high92Very high46 Ų4666.4 Ų66.432%0.32231%0.305SS..THydrogen-bonded Turntrans-77.3-17.9176.365.20000113.5F18 R19 L125F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.44Å; F18-S22 PolarHBondContact O-N 2.87Å; F18-S22 PolarHBondContact O-OG 3.17Å; R19-S22 PolarHBondContact O-OG 2.88Å; S22-L125 VanDerWaalsContact CA-O 3.25Å; S22-L125 WeakPolarHBondContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CB-O 3.3Å
23R90.2Very high91.9Very high171 Ų17174.8 Ų74.865%0.64534%0.336SS*.SBendtrans-80148.4170.7-63.9179.4180-167.8-2.9109.3L21 C25L21-R23 VanDerWaalsContact C-N 3.29Å; R23-C25 PolarHBondContact O-N 2.9Å; R23-C25 PolarHBondContact O-SG 2.84Å
24E90.9Very high92Very high134 Ų13475.8 Ų75.863%0.62634%0.344SS*.  trans-58.6116.1172.7-160.5-178.7-136.800109.5M122E24-M122 HydrophobicContact CB-CE 4.37Å; E24-M122 HydrophobicContact CG-CB 3.88Å; E24-M122 HydrophobicContact CG-CE 3.7Å; E24-M122 HydrophobicContact CG-CG 4.49Å
25C92.7Very high92.2Very high17 Ų1776.2 Ų76.212%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-124.6148-174.7-72.70000110.3K20 R23 I27 F57 M122 G123K20-C25 PolarHBondContact O-SG 2.93Å; K20-C25 VanDerWaalsContact O-SG 3.38Å; R23-C25 PolarHBondContact O-N 2.9Å; R23-C25 PolarHBondContact O-SG 2.84Å; C25-I27 PolarHBondContact O-N 3.36Å; C25-F57 HydrophobicContact CB-CD1 3.53Å; C25-F57 HydrophobicContact CB-CE1 3.88Å; C25-M122 CarbonylContact O-C 3.57Å; C25-M122 WeakPolarHBondContact O-CA 3.44Å; C25-G123 PolarHBondContact N-O 2.75Å; C25-G123 PolarHBondContact O-N 2.83Å
26E95.9Very high92.4Very high79 Ų7977.3 Ų77.337%0.36935%0.351SS..EExtended strand (participates in β ladder)trans-63.9132.8171.4-170.5-171.4161.900109.8K28 V58 G121 M122E26-K28 WeakPolarHBondContact OE1-CE 3.26Å; E26-K28 IonicContact OE1-NZ 3.15Å; E26-K28 PolarHBondContact OE1-NZ 2.68Å; E26-K28 VanDerWaalsContact OE1-NZ 3.15Å; E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.23Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.89Å; E26-V58 PolarHBondContact O-N 3.04Å; E26-G121 WeakPolarHBondContact CA-O 3.12Å; E26-M122 HydrophobicContact CB-SD 4.21Å
27I96.8Very high92.6Very high0 Ų075.5 Ų75.50%034%0.342CS..EExtended strand (participates in β ladder)trans-124.6153.2178.258.7171000110.7C25 I55 A56 F57 W110 I114 D120 G121 M122C25-I27 PolarHBondContact O-N 3.36Å; I27-I55 HydrophobicContact CG2-CD1 4.27Å; I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.26Å; I27-F57 HydrophobicContact CG2-CD1 3.65Å; I27-F57 HydrophobicContact CG2-CE1 3.83Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.49Å; I27-W110 HydrophobicContact CD1-CH2 3.88Å; I27-W110 HydrophobicContact CD1-CZ2 3.47Å; I27-W110 VanDerWaalsContact CD1-CZ2 3.47Å; I27-I114 HydrophobicContact CD1-CD1 4.07Å; I27-I114 HydrophobicContact CD1-CG1 3.71Å; I27-I114 HydrophobicContact CG1-CG1 4.4Å; I27-D120 CarbonylContact O-C 3.05Å; I27-D120 WeakPolarHBondContact O-CA 3.22Å; I27-G121 VanDerWaalsContact CG1-C 3.4Å; I27-G121 WeakPolarHBondContact CG1-O 3.23Å; I27-G121 PolarHBondContact N-O 2.8Å; I27-G121 PolarHBondContact O-N 2.98Å; I27-M122 WeakPolarHBondContact CD1-O 3.46Å
28K96.2Very high92.8Very high86 Ų8680.1 Ų80.137%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-134.1143.6173.6-69.9-176.2179.61690111.1E26 T30 I55 A56 V58 D120E26-K28 WeakPolarHBondContact OE1-CE 3.26Å; E26-K28 IonicContact OE1-NZ 3.15Å; E26-K28 PolarHBondContact OE1-NZ 2.68Å; E26-K28 VanDerWaalsContact OE1-NZ 3.15Å; K28-T30 PolarHBondContact O-N 3.2Å; K28-I55 CarbonylContact O-C 3.51Å; K28-I55 VanDerWaalsContact O-CA 3.3Å; K28-I55 WeakPolarHBondContact O-CA 3.42Å; K28-A56 PolarHBondContact N-O 2.86Å; K28-A56 PolarHBondContact O-N 2.83Å; K28-V58 HydrophobicContact CB-CG2 4.35Å; K28-V58 HydrophobicContact CD-CG2 3.84Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; K28-D120 HydrophobicContact CG-CB 3.91Å
29Y95.8Very high93Very high11 Ų1182.9 Ų82.94%0.04338%0.377CS..EExtended strand (participates in β ladder)trans-69.2124.8167.8175.5-114000109.9G31 F32 R40 F44 E54 L119Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.29Å; Y29-G31 VanDerWaalsContact CZ-CA 3.45Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.34Å; Y29-R40 PolarHBondContact O-NH2 3.35Å; Y29-F44 HydrophobicContact CD1-CB 4.22Å; Y29-F44 HydrophobicContact CD1-CD2 4.35Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 4.01Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.47Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.47Å; Y29-F44 AromaticContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.34Å; Y29-E54 WeakPolarHBondContact CD2-O 2.92Å; Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 PolarHBondContact N-O 2.83Å
30T94.3Very high93.2Very high32 Ų3278.4 Ų78.420%0.19636%0.36CS..  trans-106.70.8-175.648.70000114.3K28 R33 E54 A56K28-T30 PolarHBondContact O-N 3.2Å; T30-R33 WeakPolarHBondContact O-CG 3.32Å; T30-E54 PolarHBondContact N-O 3.3Å; T30-E54 VanDerWaalsContact N-O 3.08Å; T30-E54 PolarHBondContact OG1-O 3.42Å; T30-A56 HydrophobicContact CG2-CB 3.4Å; T30-A56 VanDerWaalsContact CG2-CB 3.4Å
31G90.8Very high93.4Very high3 Ų375.7 Ų75.73%0.03135%0.349CS..THydrogen-bonded Turntrans-71.3148.6175.500000113.2Y29 R33 R40Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.29Å; Y29-G31 VanDerWaalsContact CZ-CA 3.45Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 PolarHBondContact O-N 2.98Å; G31-R40 PolarHBondContact O-NE 3.37Å; G31-R40 VanDerWaalsContact O-NE 3.1Å; G31-R40 PolarHBondContact O-NH2 2.82Å; G31-R40 VanDerWaalsContact O-NH2 3.17Å
32F91.2Very high93.5Very high94 Ų9478 Ų7841%0.41237%0.368SS..THydrogen-bonded Turntrans4943.5171.6-56.8-80.6000114.5Y29 D34 R35 R40 R43Y29-F32 WeakPolarHBondContact OH-CD2 3.34Å; F32-D34 PolarHBondContact O-N 3.28Å; F32-D34 VanDerWaalsContact O-N 3.16Å; F32-R35 HydrophobicContact CB-CB 4.23Å; F32-R35 HydrophobicContact CB-CG 3.9Å; F32-R35 HydrophobicContact CD1-CG 4.44Å; F32-R35 WeakPolarHBondContact O-CB 3.49Å; F32-R35 PolarHBondContact O-N 3.44Å; F32-R40 HydrophobicContact CB-CG 4.27Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.49Å; F32-R40 PolarHBondContact O-NE 2.99Å; F32-R43 HydrophobicContact CD2-CB 3.88Å; F32-R43 HydrophobicContact CD2-CG 4.12Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.28Å; F32-R43 HydrophobicContact CG-CG 4.47Å
33R90.1Very high93.6Very high198 Ų19881.2 Ų81.275%0.74737%0.373SS*.THydrogen-bonded Turntrans-63-19.2-177.3-67.7179.368.2-170.10.4114.1T30 G31 R35T30-R33 WeakPolarHBondContact O-CG 3.32Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 PolarHBondContact O-N 2.98Å; R33-R35 VanDerWaalsContact C-N 3.28Å
34D93.6Very high93.7Very high122 Ų12273 Ų7365%0.65234%0.342SS*.THydrogen-bonded Turntrans-76-12174.661.1-56.2000113.5F32F32-D34 PolarHBondContact O-N 3.28Å; F32-D34 VanDerWaalsContact O-N 3.16Å
35R94.1Very high93.7Very high121 Ų12169.7 Ų69.746%0.45733%0.327SS..SBendtrans-99.6156.7-172.6-58.7-64.3169.1151.9-1113.3F32 R33 E39 R40F32-R35 HydrophobicContact CB-CB 4.23Å; F32-R35 HydrophobicContact CB-CG 3.9Å; F32-R35 HydrophobicContact CD1-CG 4.44Å; F32-R35 WeakPolarHBondContact O-CB 3.49Å; F32-R35 PolarHBondContact O-N 3.44Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R35-E39 HydrophobicContact CB-CB 4.44Å; R35-R40 HydrophobicContact CB-CG 4.1Å; R35-R40 WeakPolarHBondContact O-CD 3.48Å
36P95.7Very high93.6Very high87 Ų8772.6 Ų72.657%0.56534%0.341SS*.  trans-56.4148.4172.4-23.334000112.2E38 E39 R40P36-E38 VanDerWaalsContact C-N 3.32Å; P36-E38 PolarHBondContact O-N 3.25Å; P36-E39 PolarHBondContact O-N 3.43Å; P36-R40 WeakPolarHBondContact O-CG 3.23Å; P36-R40 PolarHBondContact O-N 3.04Å
37H93.5Very high93.2Very high88 Ų8869.5 Ų69.541%0.40733%0.329SS..Hα-helixtrans-56.4-43.1-174.2-169.366.8000113.5E39 R40 Q41 Q117H37-E39 PolarHBondContact O-N 3.09Å; H37-R40 WeakPolarHBondContact O-CB 3.47Å; H37-R40 PolarHBondContact O-N 2.83Å; H37-R40 VanDerWaalsContact O-N 3.13Å; H37-Q41 PolarHBondContact CD2-NE2 2.89Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.3Å; H37-Q41 PolarHBondContact NE2-NE2 3.07Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.2Å; H37-Q41 WeakPolarHBondContact O-CG 3.36Å; H37-Q41 PolarHBondContact O-N 3.15Å; H37-Q117 PolarHBondContact CE1-O 3.11Å; H37-Q117 PolarHBondContact NE2-O 3.29Å
38E94.1Very high92.8Very high158 Ų15869.5 Ų69.574%0.73833%0.329SS*.Hα-helixtrans-61.3-41.2177.3-169.4-179.610200112.3P36 R40 Q41 A42P36-E38 VanDerWaalsContact C-N 3.32Å; P36-E38 PolarHBondContact O-N 3.25Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 2.96Å; E38-Q41 PolarHBondContact O-N 2.79Å; E38-A42 PolarHBondContact O-N 3.24Å; E38-A42 VanDerWaalsContact O-N 3.17Å
39E94.9Very high92.2Very high58 Ų5872.1 Ų72.127%0.27134%0.337SS..Hα-helixtrans-64.7-40.4175.2-168.7-177166.800110.5R35 P36 H37 Q41 A42 R43R35-E39 HydrophobicContact CB-CB 4.44Å; P36-E39 PolarHBondContact O-N 3.43Å; H37-E39 PolarHBondContact O-N 3.09Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 2.94Å; E39-A42 PolarHBondContact O-N 2.78Å; E39-R43 HydrophobicContact CG-CG 4.2Å; E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 3.43Å; E39-R43 IonicContact OE1-CZ 3.02Å; E39-R43 IonicContact OE1-NE 3.36Å; E39-R43 PolarHBondContact OE1-NE 2.86Å; E39-R43 IonicContact OE1-NH2 3.49Å; E39-R43 PolarHBondContact OE1-NH2 2.91Å
40R94.8Very high91.7Very high40 Ų4076.2 Ų76.215%0.15136%0.36CS..Hα-helixtrans-61.9-39177.3-64.1-179.871-142.4-5.6111.9Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119Y29-R40 PolarHBondContact O-NH2 3.35Å; G31-R40 PolarHBondContact O-NE 3.37Å; G31-R40 VanDerWaalsContact O-NE 3.1Å; G31-R40 PolarHBondContact O-NH2 2.82Å; G31-R40 VanDerWaalsContact O-NH2 3.17Å; F32-R40 HydrophobicContact CB-CG 4.27Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.49Å; F32-R40 PolarHBondContact O-NE 2.99Å; R35-R40 HydrophobicContact CB-CG 4.1Å; R35-R40 WeakPolarHBondContact O-CD 3.48Å; P36-R40 WeakPolarHBondContact O-CG 3.23Å; P36-R40 PolarHBondContact O-N 3.04Å; H37-R40 WeakPolarHBondContact O-CB 3.47Å; H37-R40 PolarHBondContact O-N 2.83Å; H37-R40 VanDerWaalsContact O-N 3.13Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 2.96Å; R40-R43 PolarHBondContact O-N 2.8Å; R40-F44 WeakPolarHBondContact O-CB 3.18Å; R40-F44 PolarHBondContact O-N 3.08Å; R40-L119 HydrophobicContact CB-CD1 3.63Å
41Q93.8Very high91.3Very high43 Ų4374.8 Ų74.820%0.20135%0.351CS..Hα-helixtrans-61.9-49.3176.1-66.8168.8-21.600111.6H37 E38 E39 R43 F44 Q45 L116 Q117 L119H37-Q41 PolarHBondContact CD2-NE2 2.89Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.3Å; H37-Q41 PolarHBondContact NE2-NE2 3.07Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.2Å; H37-Q41 WeakPolarHBondContact O-CG 3.36Å; H37-Q41 PolarHBondContact O-N 3.15Å; E38-Q41 PolarHBondContact O-N 2.79Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 2.94Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.34Å; Q41-F44 PolarHBondContact O-N 3.46Å; Q41-Q45 WeakPolarHBondContact O-CG 3.41Å; Q41-Q45 PolarHBondContact O-N 3.22Å; Q41-L116 WeakPolarHBondContact CG-O 3.25Å; Q41-Q117 PolarHBondContact NE2-O 3.49Å; Q41-L119 HydrophobicContact CG-CD1 4.1Å; Q41-L119 HydrophobicContact CG-CD2 4.25Å; Q41-L119 HydrophobicContact CG-CG 4.19Å
42A93.2Very high91.2Very high49 Ų4982.3 Ų82.341%0.40538%0.378SS..Hα-helixtrans-62.4-41.7177.900000111.8E38 E39 Q45 N46E38-A42 PolarHBondContact O-N 3.24Å; E38-A42 VanDerWaalsContact O-N 3.17Å; E39-A42 PolarHBondContact O-N 2.78Å; A42-Q45 PolarHBondContact O-N 2.84Å; A42-N46 WeakPolarHBondContact O-CB 3.17Å; A42-N46 VanDerWaalsContact O-CG 3.27Å; A42-N46 PolarHBondContact O-N 2.69Å; A42-N46 PolarHBondContact O-ND2 3.03Å
43R93.2Very high91.2Very high114 Ų11478.1 Ų78.143%0.4336%0.361SS..Hα-helixtrans-62.9-44.6176.5-69.4-82.6-177.2-157.4-3.2111.9F32 E39 R40 Q41 N46 A47F32-R43 HydrophobicContact CD2-CB 3.88Å; F32-R43 HydrophobicContact CD2-CG 4.12Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.28Å; F32-R43 HydrophobicContact CG-CG 4.47Å; E39-R43 HydrophobicContact CG-CG 4.2Å; E39-R43 WeakPolarHBondContact O-CB 3.38Å; E39-R43 WeakPolarHBondContact O-CG 3.35Å; E39-R43 PolarHBondContact O-N 3.43Å; E39-R43 IonicContact OE1-CZ 3.02Å; E39-R43 IonicContact OE1-NE 3.36Å; E39-R43 PolarHBondContact OE1-NE 2.86Å; E39-R43 IonicContact OE1-NH2 3.49Å; E39-R43 PolarHBondContact OE1-NH2 2.91Å; R40-R43 PolarHBondContact O-N 2.8Å; Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.34Å; R43-N46 PolarHBondContact O-N 2.78Å; R43-A47 VanDerWaalsContact O-CB 3.27Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.97Å
44F92.9Very high91.3Very high0 Ų073.3 Ų73.30%035%0.347CS..Hα-helixtrans-62.2-45.8178.4174.1-110000111.7Y29 R40 Q41 N46 A47 C48 S53 V95 L97 I114 L116 L119Y29-F44 HydrophobicContact CD1-CB 4.22Å; Y29-F44 HydrophobicContact CD1-CD2 4.35Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CE2 3.92Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 4.01Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.47Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.47Å; Y29-F44 AromaticContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CD2 3.76Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.34Å; R40-F44 WeakPolarHBondContact O-CB 3.18Å; R40-F44 PolarHBondContact O-N 3.08Å; Q41-F44 PolarHBondContact O-N 3.46Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 2.87Å; F44-A47 PolarHBondContact O-N 3.41Å; F44-C48 VanDerWaalsContact CZ-SG 3.52Å; F44-C48 PolarHBondContact O-N 2.89Å; F44-C48 PolarHBondContact O-SG 3.05Å; F44-S53 WeakPolarHBondContact CE2-OG 3.07Å; F44-V95 HydrophobicContact CE1-CG1 3.54Å; F44-V95 HydrophobicContact CZ-CG1 3.67Å; F44-L97 HydrophobicContact CZ-CD1 4.1Å; F44-I114 HydrophobicContact CE1-CB 4.17Å; F44-I114 HydrophobicContact CE1-CG2 3.77Å; F44-I114 HydrophobicContact CE2-CD1 3.9Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.78Å; F44-I114 HydrophobicContact CZ-CD1 3.71Å; F44-I114 HydrophobicContact CZ-CG1 4.29Å; F44-I114 HydrophobicContact CZ-CG2 3.66Å; F44-L116 HydrophobicContact CD1-CD2 4.06Å; F44-L116 HydrophobicContact CE1-CD2 3.88Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.8Å; F44-L119 HydrophobicContact CG-CD2 4.01Å
45Q90Very high91.4Very high63 Ų6367.5 Ų67.529%0.29432%0.316SS..Hα-helixtrans-60.8-43.5176.5-72.6179.139.800112Q41 A42 C48 R49 L116Q41-Q45 WeakPolarHBondContact O-CG 3.41Å; Q41-Q45 PolarHBondContact O-N 3.22Å; A42-Q45 PolarHBondContact O-N 2.84Å; Q45-C48 PolarHBondContact O-N 3.32Å; Q45-R49 WeakPolarHBondContact O-CG 3.14Å; Q45-R49 PolarHBondContact O-N 3.42Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; Q45-L116 HydrophobicContact CG-CD2 3.83Å
46N90.1Very high91.5Very high78 Ų7862.3 Ų62.342%0.41730%0.298SS..Hα-helixtrans-65-41175.5-70.8-23.8000111.7A42 R43 F44 C48 R49 D50A42-N46 WeakPolarHBondContact O-CB 3.17Å; A42-N46 VanDerWaalsContact O-CG 3.27Å; A42-N46 PolarHBondContact O-N 2.69Å; A42-N46 PolarHBondContact O-ND2 3.03Å; R43-N46 PolarHBondContact O-N 2.78Å; F44-N46 VanDerWaalsContact C-N 3.34Å; F44-N46 PolarHBondContact O-N 2.87Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 3.17Å; N46-R49 CarbonylContact O-C 3.56Å; N46-R49 WeakPolarHBondContact O-CB 3.34Å; N46-R49 PolarHBondContact O-N 2.91Å; N46-R49 VanDerWaalsContact O-N 3.11Å; N46-D50 WeakPolarHBondContact O-CB 3.1Å; N46-D50 VanDerWaalsContact O-CG 3.29Å; N46-D50 PolarHBondContact O-N 3.23Å
47A88.9Confident91.4Very high15 Ų1558.1 Ų58.112%0.12427%0.271CS..Hα-helixtrans-62.9-41177.100000111.7R43 F44 R49 D50 G51 R52R43-A47 VanDerWaalsContact O-CB 3.27Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.97Å; F44-A47 PolarHBondContact O-N 3.41Å; A47-R49 VanDerWaalsContact C-N 3.3Å; A47-R49 PolarHBondContact O-N 3.31Å; A47-D50 CarbonylContact O-C 3.53Å; A47-D50 WeakPolarHBondContact O-CB 3.38Å; A47-D50 PolarHBondContact O-N 3.46Å; A47-D50 VanDerWaalsContact O-N 3.11Å; A47-G51 PolarHBondContact O-N 3.46Å; A47-R52 CarbonylContact C-O 3.48Å; A47-R52 WeakPolarHBondContact CB-O 3.37Å; A47-R52 PolarHBondContact O-N 3.41Å
48C87.6Confident91.4Very high0 Ų057 Ų570%027%0.27CS..Hα-helixtrans-59.7-40.6172.5-65.60000111.6F44 Q45 N46 G51 P81 V86F44-C48 VanDerWaalsContact CZ-SG 3.52Å; F44-C48 PolarHBondContact O-N 2.89Å; F44-C48 PolarHBondContact O-SG 3.05Å; Q45-C48 PolarHBondContact O-N 3.32Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 3.17Å; C48-G51 PolarHBondContact O-N 3.3Å; C48-P81 VanDerWaalsContact O-CG 3.28Å; C48-P81 WeakPolarHBondContact O-CG 3.07Å; C48-V86 HydrophobicContact CB-CG1 4.08Å
49R84.3Confident91Very high140 Ų14053.4 Ų53.453%0.52827%0.268SS..Hα-helixtrans-70.1-30.3173.9-68.1176-175.9163.11.5113.4Q45 N46 A47 G51 P81Q45-R49 WeakPolarHBondContact O-CG 3.14Å; Q45-R49 PolarHBondContact O-N 3.42Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; N46-R49 CarbonylContact O-C 3.56Å; N46-R49 WeakPolarHBondContact O-CB 3.34Å; N46-R49 PolarHBondContact O-N 2.91Å; N46-R49 VanDerWaalsContact O-N 3.11Å; A47-R49 VanDerWaalsContact C-N 3.3Å; A47-R49 PolarHBondContact O-N 3.31Å; R49-G51 PolarHBondContact O-N 3.12Å; R49-P81 WeakPolarHBondContact O-CD 3.24Å
50D85Confident90.7Very high98 Ų9853.2 Ų53.252%0.52427%0.271SS..Hα-helixtrans-76.4-8.8174.1-70.8-13.5000112.3N46 A47 R52 F69N46-D50 WeakPolarHBondContact O-CB 3.1Å; N46-D50 VanDerWaalsContact O-CG 3.29Å; N46-D50 PolarHBondContact O-N 3.23Å; A47-D50 CarbonylContact O-C 3.53Å; A47-D50 WeakPolarHBondContact O-CB 3.38Å; A47-D50 PolarHBondContact O-N 3.46Å; A47-D50 VanDerWaalsContact O-N 3.11Å; D50-R52 HydrophobicContact CB-CG 4.33Å; D50-F69 WeakPolarHBondContact O-CE2 3.43Å
51G84.9Confident90.5Very high1 Ų153.8 Ų53.81%0.0129%0.289CS..THydrogen-bonded Turntrans80.423.1178.200000115A47 C48 R49 F68 F69A47-G51 PolarHBondContact O-N 3.46Å; C48-G51 PolarHBondContact O-N 3.3Å; R49-G51 PolarHBondContact O-N 3.12Å; G51-F68 PolarHBondContact O-N 2.75Å; G51-F69 VanDerWaalsContact CA-CE2 3.46Å
52R88.7Confident90.4Very high161 Ų16153.3 Ų53.361%0.60829%0.289SS*.EExtended strand (participates in β ladder)trans-142.1146.1177.760.7-177.8177.7168.80.2111.9A47 D50 L66A47-R52 CarbonylContact C-O 3.48Å; A47-R52 WeakPolarHBondContact CB-O 3.37Å; A47-R52 PolarHBondContact O-N 3.41Å; D50-R52 HydrophobicContact CB-CG 4.33Å; R52-L66 WeakPolarHBondContact CA-O 3.43Å
53S91.6Very high90.4Very high6 Ų656.3 Ų56.34%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-155.6163.7172-160.10000111.6F44 L66F44-S53 WeakPolarHBondContact CE2-OG 3.07Å; S53-L66 PolarHBondContact N-O 3.49Å; S53-L66 PolarHBondContact O-N 2.9Å
54E93.4Very high90.3Very high98 Ų9851.5 Ų51.546%0.45828%0.281SS..EExtended strand (participates in β ladder)trans-123.1121.4177.8-66.7-178.1169.500109.1Y29 T30Y29-E54 WeakPolarHBondContact CD2-O 2.92Å; T30-E54 PolarHBondContact N-O 3.3Å; T30-E54 VanDerWaalsContact N-O 3.08Å; T30-E54 PolarHBondContact OG1-O 3.42Å
55I95.1Very high90.2Very high0 Ų055.8 Ų55.80%031%0.311CS..EExtended strand (participates in β ladder)trans-129.6157.2-177.965.690.6000110I27 K28 F57 N63 L64 L66 W110 I114I27-I55 HydrophobicContact CG2-CD1 4.27Å; K28-I55 CarbonylContact O-C 3.51Å; K28-I55 VanDerWaalsContact O-CA 3.3Å; K28-I55 WeakPolarHBondContact O-CA 3.42Å; I55-F57 HydrophobicContact CD1-CD2 4.38Å; I55-F57 HydrophobicContact CD1-CE2 4.28Å; I55-N63 CarbonylContact O-C 3.54Å; I55-N63 WeakPolarHBondContact O-CA 3.46Å; I55-L64 HydrophobicContact CD1-CB 4.11Å; I55-L64 HydrophobicContact CD1-CD1 4.44Å; I55-L64 HydrophobicContact CG1-CB 4.36Å; I55-L64 PolarHBondContact N-O 3.02Å; I55-L64 PolarHBondContact O-N 3.29Å; I55-L66 HydrophobicContact CG1-CD1 3.7Å; I55-L66 HydrophobicContact CG1-CD2 4.37Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; I55-W110 HydrophobicContact CD1-CZ2 3.92Å; I55-W110 HydrophobicContact CG1-CZ2 4Å; I55-I114 HydrophobicContact CG2-CD1 3.65Å
56A95.5Very high90.3Very high11 Ų1153 Ų539%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-128.8136.8172.200000111.1I27 K28 T30 V58 T62 N63I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.26Å; K28-A56 PolarHBondContact N-O 2.86Å; K28-A56 PolarHBondContact O-N 2.83Å; T30-A56 HydrophobicContact CG2-CB 3.4Å; T30-A56 VanDerWaalsContact CG2-CB 3.4Å; A56-V58 PolarHBondContact O-N 2.96Å; A56-T62 CarbonylContact C-O 3.56Å; A56-T62 VanDerWaalsContact CA-O 3.27Å; A56-T62 WeakPolarHBondContact CA-O 3.24Å; A56-N63 WeakPolarHBondContact CB-OD1 3.33Å
57F94.1Very high90.1Very high0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-72.7118.2165.4-74.1-82.2000109.4L21 C25 I27 I55 T60 G61 T62 L64 W110 G123L21-F57 HydrophobicContact CB-CZ 4.43Å; L21-F57 HydrophobicContact CD1-CD2 4.36Å; L21-F57 HydrophobicContact CD1-CE2 4.22Å; L21-F57 HydrophobicContact CD2-CB 4.03Å; L21-F57 HydrophobicContact CD2-CD1 3.89Å; L21-F57 HydrophobicContact CD2-CD2 3.62Å; L21-F57 HydrophobicContact CD2-CE1 4.18Å; L21-F57 HydrophobicContact CD2-CE2 3.93Å; L21-F57 HydrophobicContact CD2-CG 3.58Å; L21-F57 HydrophobicContact CD2-CZ 4.19Å; L21-F57 HydrophobicContact CG-CE2 4.49Å; C25-F57 HydrophobicContact CB-CD1 3.53Å; C25-F57 HydrophobicContact CB-CE1 3.88Å; I27-F57 HydrophobicContact CG2-CD1 3.65Å; I27-F57 HydrophobicContact CG2-CE1 3.83Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.49Å; I55-F57 HydrophobicContact CD1-CD2 4.38Å; I55-F57 HydrophobicContact CD1-CE2 4.28Å; F57-T60 VanDerWaalsContact CB-OG1 3.28Å; F57-T60 WeakPolarHBondContact CB-OG1 3.41Å; F57-G61 VanDerWaalsContact O-CA 3.24Å; F57-G61 WeakPolarHBondContact O-CA 3.32Å; F57-G61 PolarHBondContact O-N 2.83Å; F57-T62 PolarHBondContact N-O 2.99Å; F57-T62 PolarHBondContact O-N 2.93Å; F57-L64 HydrophobicContact CD2-CD1 4.3Å; F57-L64 HydrophobicContact CE2-CD1 3.59Å; F57-L64 HydrophobicContact CE2-CG 4.29Å; F57-W110 AromaticContact CE2-NE1 3.84Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.46Å; F57-G123 WeakPolarHBondContact CE1-O 3.44Å
58V92.4Very high89.9Confident63 Ų6352.7 Ų52.738%0.38229%0.292SS..THydrogen-bonded Turntrans-66.6-41.8-175.3178.90000111E26 K28 A56 T60E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.23Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.89Å; E26-V58 PolarHBondContact O-N 3.04Å; K28-V58 HydrophobicContact CB-CG2 4.35Å; K28-V58 HydrophobicContact CD-CG2 3.84Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; A56-V58 PolarHBondContact O-N 2.96Å; V58-T60 VanDerWaalsContact C-N 3.33Å; V58-T60 PolarHBondContact O-N 3.4Å
59A86.4Confident89.3Confident83 Ų8354.3 Ų54.369%0.68630%0.299SS*.THydrogen-bonded Turntrans-65-34.9-176.600000113.4
60T88.9Confident88.3Confident54 Ų5449.1 Ų49.133%0.33128%0.283SS..THydrogen-bonded Turntrans-107.4-11.1-176.459.50000113.4K20 L21 F57 V58 T62K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.36Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; F57-T60 VanDerWaalsContact CB-OG1 3.28Å; F57-T60 WeakPolarHBondContact CB-OG1 3.41Å; V58-T60 VanDerWaalsContact C-N 3.33Å; V58-T60 PolarHBondContact O-N 3.4Å; T60-T62 PolarHBondContact O-N 2.94Å; T60-T62 WeakPolarHBondContact OG1-CB 3.45Å; T60-T62 PolarHBondContact OG1-N 2.83Å; T60-T62 PolarHBondContact OG1-OG1 2.81Å
61G89.9Confident87Confident53 Ų5345.8 Ų45.855%0.54627%0.269SS..THydrogen-bonded Turntrans6515.2-171.200000114F57 N63F57-G61 VanDerWaalsContact O-CA 3.24Å; F57-G61 WeakPolarHBondContact O-CA 3.32Å; F57-G61 PolarHBondContact O-N 2.83Å; G61-N63 PolarHBondContact O-N 3.12Å
62T91.3Very high85.5Confident32 Ų3250.8 Ų50.820%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-79.7118.9-176.8-580000110.3F17 L21 A56 F57 T60 L64F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.12Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; A56-T62 CarbonylContact C-O 3.56Å; A56-T62 VanDerWaalsContact CA-O 3.27Å; A56-T62 WeakPolarHBondContact CA-O 3.24Å; F57-T62 PolarHBondContact N-O 2.99Å; F57-T62 PolarHBondContact O-N 2.93Å; T60-T62 PolarHBondContact O-N 2.94Å; T60-T62 WeakPolarHBondContact OG1-CB 3.45Å; T60-T62 PolarHBondContact OG1-N 2.83Å; T60-T62 PolarHBondContact OG1-OG1 2.81Å; T62-L64 HydrophobicContact CG2-CD2 4.26Å
63N93.3Very high83.9Confident112 Ų11249.8 Ų49.860%0.59930%0.3SS*.EExtended strand (participates in β ladder)trans-87.8134.8174-59.9-54.4000110.5I55 A56 G61I55-N63 CarbonylContact O-C 3.54Å; I55-N63 WeakPolarHBondContact O-CA 3.46Å; A56-N63 WeakPolarHBondContact CB-OD1 3.33Å; G61-N63 PolarHBondContact O-N 3.12Å
64L91.7Very high81.9Confident14 Ų1456.3 Ų56.37%0.07333%0.33CS..EExtended strand (participates in β ladder)trans-125.7130.7173.4-64-173.8000110.5I55 F57 T62 L66 L103 L125I55-L64 HydrophobicContact CD1-CB 4.11Å; I55-L64 HydrophobicContact CD1-CD1 4.44Å; I55-L64 HydrophobicContact CG1-CB 4.36Å; I55-L64 PolarHBondContact N-O 3.02Å; I55-L64 PolarHBondContact O-N 3.29Å; F57-L64 HydrophobicContact CD2-CD1 4.3Å; F57-L64 HydrophobicContact CE2-CD1 3.59Å; F57-L64 HydrophobicContact CE2-CG 4.29Å; T62-L64 HydrophobicContact CG2-CD2 4.26Å; L64-L66 HydrophobicContact CB-CD2 4.01Å; L64-L66 HydrophobicContact CD1-CD2 4.4Å; L64-L103 HydrophobicContact CD2-CD1 3.74Å; L64-L125 HydrophobicContact CD1-CD2 4.47Å
65S91.8Very high79.9Confident89 Ų8955.2 Ų55.262%0.62235%0.346SS*.EExtended strand (participates in β ladder)trans-89.7109.7164.9-57.90000108.3M101S65-M101 WeakPolarHBondContact O-CE 3.32Å
66L90.4Very high77.8Confident4 Ų462 Ų622%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-89.5136.9-179.2-56.3-175.3000110.5R52 S53 I55 L64 F68 A99 M101 W110R52-L66 WeakPolarHBondContact CA-O 3.43Å; S53-L66 PolarHBondContact N-O 3.49Å; S53-L66 PolarHBondContact O-N 2.9Å; I55-L66 HydrophobicContact CG1-CD1 3.7Å; I55-L66 HydrophobicContact CG1-CD2 4.37Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; L64-L66 HydrophobicContact CB-CD2 4.01Å; L64-L66 HydrophobicContact CD1-CD2 4.4Å; L66-F68 HydrophobicContact CB-CE1 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.01Å; L66-F68 HydrophobicContact CD1-CE1 3.99Å; L66-F68 HydrophobicContact CD1-CZ 4.24Å; L66-A99 HydrophobicContact CB-CB 3.96Å; L66-A99 HydrophobicContact CD1-CB 4.45Å; L66-A99 HydrophobicContact CD2-CB 4.06Å; L66-A99 HydrophobicContact CG-CB 4.38Å; L66-M101 HydrophobicContact CD2-CE 3.65Å; L66-W110 HydrophobicContact CD1-CD2 3.67Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CG 4.45Å; L66-W110 HydrophobicContact CD1-CH2 3.7Å; L66-W110 HydrophobicContact CD1-CZ2 3.92Å; L66-W110 HydrophobicContact CD1-CZ3 3.43Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.43Å; L66-W110 HydrophobicContact CD2-CB 4.11Å; L66-W110 HydrophobicContact CD2-CD2 3.98Å; L66-W110 HydrophobicContact CD2-CE3 4.31Å; L66-W110 HydrophobicContact CD2-CG 3.9Å; L66-W110 HydrophobicContact CG-CE3 4.49Å
67Q87.6Confident75.5Confident87 Ų8769.5 Ų69.541%0.40741%0.41SS..EExtended strand (participates in β ladder)trans-120.2125.9168.8-169167.529.200108.4F69Q67-F69 VanDerWaalsContact C-N 3.25Å; Q67-F69 HydrophobicContact CG-CB 4.47Å; Q67-F69 HydrophobicContact CG-CD2 4.04Å; Q67-F69 PolarHBondContact O-N 2.85Å
68F83.5Confident73.5Confident0 Ų081.3 Ų81.30%046%0.455CS..  trans-93.126.6-173.9-53.7-52000112.2G51 L66 P81 Y85 V86 L97 K98 A99G51-F68 PolarHBondContact O-N 2.75Å; L66-F68 HydrophobicContact CB-CE1 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.01Å; L66-F68 HydrophobicContact CD1-CE1 3.99Å; L66-F68 HydrophobicContact CD1-CZ 4.24Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F68-Y85 WeakPolarHBondContact O-CB 3.47Å; F68-Y85 WeakPolarHBondContact O-CD2 3.4Å; F68-V86 HydrophobicContact CB-CG2 3.82Å; F68-V86 HydrophobicContact CD1-CG2 4.35Å; F68-V86 HydrophobicContact CD2-CG2 3.62Å; F68-V86 HydrophobicContact CE2-CG2 4.33Å; F68-V86 HydrophobicContact CG-CG2 3.68Å; F68-L97 HydrophobicContact CE1-CB 4.01Å; F68-L97 HydrophobicContact CE1-CD1 4.37Å; F68-L97 HydrophobicContact CE1-CD2 3.99Å; F68-L97 HydrophobicContact CE1-CG 4.35Å; F68-L97 HydrophobicContact CE2-CD2 4.08Å; F68-L97 HydrophobicContact CZ-CB 4.38Å; F68-L97 HydrophobicContact CZ-CD1 3.93Å; F68-L97 HydrophobicContact CZ-CD2 3.76Å; F68-L97 HydrophobicContact CZ-CG 4.25Å; F68-K98 WeakPolarHBondContact CD1-O 3.39Å; F68-A99 HydrophobicContact CD1-CB 3.92Å; F68-A99 HydrophobicContact CE1-CB 4.07Å
69F76Confident72Confident35 Ų3582.3 Ų82.315%0.15446%0.455CS..SBendtrans-125.5150.1177.5-58.1-73.6000110.4D50 G51 Q67 A71 Q79 P81D50-F69 WeakPolarHBondContact O-CE2 3.43Å; G51-F69 VanDerWaalsContact CA-CE2 3.46Å; Q67-F69 VanDerWaalsContact C-N 3.25Å; Q67-F69 HydrophobicContact CG-CB 4.47Å; Q67-F69 HydrophobicContact CG-CD2 4.04Å; Q67-F69 PolarHBondContact O-N 2.85Å; F69-A71 PolarHBondContact O-N 3.36Å; F69-Q79 WeakPolarHBondContact CE1-O 3.47Å; F69-Q79 WeakPolarHBondContact CZ-O 3.5Å; F69-P81 VanDerWaalsContact CE1-CA 3.49Å; F69-P81 HydrophobicContact CE1-CB 3.96Å; F69-P81 HydrophobicContact CZ-CB 4.15Å; F69-P81 HydrophobicContact CZ-CG 4.46Å
70P62.4Low70.8Confident30 Ų3083.8 Ų83.820%0.19546%0.456CS..  trans-58.4138.9168.5-14.326.4000110.2S72 W73 Y85P70-S72 PolarHBondContact O-N 3.34Å; P70-W73 HydrophobicContact CB-CG 4.35Å; P70-W73 HydrophobicContact CG-CD2 4.37Å; P70-W73 HydrophobicContact CG-CG 4.27Å; P70-W73 WeakPolarHBondContact O-CB 3.13Å; P70-W73 PolarHBondContact O-N 2.82Å; P70-Y85 HydrophobicContact CG-CE2 4.35Å
71A58Low70Confident28 Ų2881.9 Ų81.923%0.23145%0.445CS..G310 helixtrans-62.5-19.3-177.800000113.9F69 W73F69-A71 PolarHBondContact O-N 3.36Å; A71-W73 PolarHBondContact O-N 3.46Å
72S53.9Low69.5Low106 Ų10682 Ų8274%0.74144%0.437SS*.G310 helixtrans-69.5-9.5174.242.90000113.8P70P70-S72 PolarHBondContact O-N 3.34Å
73W55.5Low69Low140 Ų14088.5 Ų88.553%0.5346%0.458SS..G310 helixtrans-102.312.3-174-66.236.6000112.4P70 A71 G75P70-W73 HydrophobicContact CB-CG 4.35Å; P70-W73 HydrophobicContact CG-CD2 4.37Å; P70-W73 HydrophobicContact CG-CG 4.27Å; P70-W73 WeakPolarHBondContact O-CB 3.13Å; P70-W73 PolarHBondContact O-N 2.82Å; A71-W73 PolarHBondContact O-N 3.46Å; W73-G75 PolarHBondContact O-N 3.26Å
74Q49.4Very low68.6Low143 Ų14388.9 Ų88.967%0.66846%0.457SS*.THydrogen-bonded Turntrans-67.490.8172.5-72.5-167.2-11.200110.4
75G51.4Low68.4Low76 Ų7690.1 Ų90.178%0.78446%0.461SS*.THydrogen-bonded Turntrans152-23.4173.500000115.2W73W73-G75 PolarHBondContact O-N 3.26Å
76E49.4Very low68.3Low142 Ų14286.5 Ų86.566%0.66443%0.434SS*.SBendtrans-83.7133.8-177.5-139.180.4174.900110.8R78E76-R78 PolarHBondContact O-N 3.03Å
77Q47.5Very low68.3Low168 Ų16888.6 Ų88.679%0.78545%0.446SS*.SBendtrans-35.7124.3176.9-82.7-84.9-17.500113.8Q79Q77-Q79 WeakPolarHBondContact O-CG 3.27Å; Q77-Q79 PolarHBondContact O-N 3.48Å
78R53.3Low68.3Low248 Ų24887.6 Ų87.694%0.93644%0.443SS*.  trans3.276.3166.1-72.9-178.1177.7-169.5-0.6114.5E76E76-R78 PolarHBondContact O-N 3.03Å
79Q59.4Low68.4Low84 Ų8494 Ų9439%0.39347%0.473SS..PPolyproline II helixtrans-90.2140.1171.6-81.9165.912.300109F69 Q77F69-Q79 WeakPolarHBondContact CE1-O 3.47Å; F69-Q79 WeakPolarHBondContact CZ-O 3.5Å; Q77-Q79 WeakPolarHBondContact O-CG 3.27Å; Q77-Q79 PolarHBondContact O-N 3.48Å
80T62.9Low69.1Low114 Ų114100.2 Ų100.270%0.69950%0.495SS*.PPolyproline II helixtrans-70.9135.1174.1-43.20000108.4S82T80-S82 PolarHBondContact O-N 2.8Å
81P72Confident70.4Confident14 Ų14102.4 Ų102.49%0.09150%0.503CS..PPolyproline II helixtrans-58.8141.517726.1-33.8000109.9C48 R49 F68 F69 V86C48-P81 VanDerWaalsContact O-CG 3.28Å; C48-P81 WeakPolarHBondContact O-CG 3.07Å; R49-P81 WeakPolarHBondContact O-CD 3.24Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F69-P81 VanDerWaalsContact CE1-CA 3.49Å; F69-P81 HydrophobicContact CE1-CB 3.96Å; F69-P81 HydrophobicContact CZ-CB 4.15Å; F69-P81 HydrophobicContact CZ-CG 4.46Å; P81-V86 HydrophobicContact CB-CB 4.44Å; P81-V86 HydrophobicContact CB-CG2 3.81Å; P81-V86 HydrophobicContact CG-CB 4.25Å; P81-V86 HydrophobicContact CG-CG2 3.76Å
82S78.3Confident71.9Confident57 Ų57105.9 Ų105.940%0.39953%0.532SS..PPolyproline II helixtrans-67.6158.4178.972.40000110.5T80 E84 Y85 V86T80-S82 PolarHBondContact O-N 2.8Å; S82-E84 PolarHBondContact O-N 2.85Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-Y85 PolarHBondContact O-N 3Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.41Å; S82-V86 PolarHBondContact O-N 2.97Å
83R81.7Confident73.6Confident167 Ų167102.5 Ų102.563%0.6351%0.514SS*.THydrogen-bonded Turntrans-58.1-22.3175.3-74-177.3165.8-145.7-6.9113.6Y85 V86 E89R83-Y85 VanDerWaalsContact C-N 3.32Å; R83-V86 WeakPolarHBondContact CA-O 3.22Å; R83-E89 IonicContact CZ-OE1 3.33Å; R83-E89 IonicContact CZ-OE2 3.74Å; R83-E89 IonicContact NH1-OE2 3.92Å; R83-E89 PolarHBondContact NH1-OE2 2.87Å; R83-E89 IonicContact NH2-OE1 3.34Å; R83-E89 PolarHBondContact NH2-OE1 3.41Å; R83-E89 IonicContact NH2-OE2 2.75Å; R83-E89 PolarHBondContact NH2-OE2 3.46Å
84E85.1Confident75.5Confident121 Ų12198 Ų9857%0.56550%0.498SS*.THydrogen-bonded Turntrans-68.1-33.8175.4-169.1-171.3116.400112.2S82 K98S82-E84 PolarHBondContact O-N 2.85Å; S82-E84 VanDerWaalsContact O-N 3.1Å; E84-K98 IonicContact OE1-NZ 3.43Å; E84-K98 PolarHBondContact OE1-NZ 2.78Å
85Y87.3Confident77.6Confident40 Ų4091.1 Ų91.116%0.15747%0.466CS..THydrogen-bonded Turntrans-93.1-31.3-178.7-61.7-68000113.1F68 P70 S82 R83 L97 K98 P100F68-Y85 WeakPolarHBondContact O-CB 3.47Å; F68-Y85 WeakPolarHBondContact O-CD2 3.4Å; P70-Y85 HydrophobicContact CG-CE2 4.35Å; S82-Y85 PolarHBondContact O-N 3Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.41Å; R83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-L97 CarbonylContact O-C 3.56Å; Y85-L97 WeakPolarHBondContact O-CA 3.39Å; Y85-K98 HydrophobicContact CD1-CB 4.31Å; Y85-K98 HydrophobicContact CD1-CD 4.34Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.3Å; Y85-K98 WeakPolarHBondContact CD1-O 3.2Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.89Å; Y85-P100 HydrophobicContact CE1-CG 3.89Å
86V90.3Very high79.6Confident12 Ų1289.7 Ų89.77%0.07344%0.437CS..EExtended strand (participates in β ladder)trans-134.4105.7178.6-177.60000109.3C48 F68 P81 S82 R83 L88 V95 L97C48-V86 HydrophobicContact CB-CG1 4.08Å; F68-V86 HydrophobicContact CB-CG2 3.82Å; F68-V86 HydrophobicContact CD1-CG2 4.35Å; F68-V86 HydrophobicContact CD2-CG2 3.62Å; F68-V86 HydrophobicContact CE2-CG2 4.33Å; F68-V86 HydrophobicContact CG-CG2 3.68Å; P81-V86 HydrophobicContact CB-CB 4.44Å; P81-V86 HydrophobicContact CB-CG2 3.81Å; P81-V86 HydrophobicContact CG-CB 4.25Å; P81-V86 HydrophobicContact CG-CG2 3.76Å; S82-V86 PolarHBondContact O-N 2.97Å; R83-V86 WeakPolarHBondContact CA-O 3.22Å; V86-L88 HydrophobicContact CG1-CD1 4.45Å; V86-L88 HydrophobicContact CG1-CG 4.39Å; V86-V95 HydrophobicContact CG1-CG2 3.97Å; V86-L97 HydrophobicContact CB-CD2 4.18Å; V86-L97 HydrophobicContact CG1-CD2 3.89Å; V86-L97 HydrophobicContact CG2-CD2 3.82Å
87D90.2Very high81.7Confident48 Ų4883.2 Ų83.226%0.25741%0.407SS..EExtended strand (participates in β ladder)trans-114105179.9-169.2-14.2000110.6E89 R90 V95 Y96D87-E89 PolarHBondContact OD1-N 3.19Å; D87-R90 PolarHBondContact OD1-N 3.22Å; D87-R90 WeakPolarHBondContact OD2-CB 3.45Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; D87-Y96 PolarHBondContact N-O 3.1Å; D87-Y96 PolarHBondContact O-N 3.06Å
88L86.6Confident83.9Confident67 Ų6777.5 Ų77.535%0.35138%0.379SS..SBendtrans-94.4-11.5177-70155.6000112.5V86 V95 L116V86-L88 HydrophobicContact CG1-CD1 4.45Å; V86-L88 HydrophobicContact CG1-CG 4.39Å; L88-V95 HydrophobicContact CD2-CB 3.77Å; L88-V95 HydrophobicContact CD2-CG2 3.59Å; L88-V95 HydrophobicContact CG-CG2 3.91Å; L88-L116 HydrophobicContact CD2-CD1 4.37Å; L88-L116 HydrophobicContact CD2-CD2 4.48Å
89E86.7Confident85.8Confident133 Ų13365.7 Ų65.762%0.62134%0.335SS*.SBendtrans-99.2-19.6-172.3-69.2-171.1168.700112.7R83 D87 E91R83-E89 IonicContact CZ-OE1 3.33Å; R83-E89 IonicContact CZ-OE2 3.74Å; R83-E89 IonicContact NH1-OE2 3.92Å; R83-E89 PolarHBondContact NH1-OE2 2.87Å; R83-E89 IonicContact NH2-OE1 3.34Å; R83-E89 PolarHBondContact NH2-OE1 3.41Å; R83-E89 IonicContact NH2-OE2 2.75Å; R83-E89 PolarHBondContact NH2-OE2 3.46Å; D87-E89 PolarHBondContact OD1-N 3.19Å; E89-E91 VanDerWaalsContact C-N 3.3Å; E89-E91 PolarHBondContact O-N 3.08Å
90R89.1Confident87.3Confident167 Ų16762.4 Ų62.463%0.6332%0.321SS*.SBendtrans-55.9-40.8179.7-176.2168.4-178.8-1771.3114D87 Y96D87-R90 PolarHBondContact OD1-N 3.22Å; D87-R90 WeakPolarHBondContact OD2-CB 3.45Å; R90-Y96 HydrophobicContact CB-CD2 3.88Å; R90-Y96 HydrophobicContact CB-CE2 4.15Å; R90-Y96 HydrophobicContact CG-CD2 3.97Å; R90-Y96 HydrophobicContact CG-CE2 3.87Å
91E91.1Very high88.5Confident75 Ų7558.3 Ų58.335%0.3529%0.294SS..SBendtrans-149.6126.6-179.9-165.8177.7140.600111E89 G93 K94 Y96E89-E91 VanDerWaalsContact C-N 3.3Å; E89-E91 PolarHBondContact O-N 3.08Å; E91-G93 PolarHBondContact O-N 3.45Å; E91-K94 HydrophobicContact CB-CB 4.41Å; E91-K94 HydrophobicContact CG-CD 4.44Å; E91-K94 PolarHBondContact O-N 3.3Å; E91-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 VanDerWaalsContact O-O 3.08Å; E91-K94 VanDerWaalsContact OE1-CD 3.24Å; E91-K94 WeakPolarHBondContact OE1-CD 3.34Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 3.27Å; E91-K94 PolarHBondContact OE1-NZ 2.96Å; E91-K94 IonicContact OE2-NZ 2.74Å; E91-Y96 HydrophobicContact CB-CE2 3.87Å; E91-Y96 PolarHBondContact OE2-OH 3.35Å
92A89.1Confident89.3Confident102 Ų10259.7 Ų59.784%0.84330%0.3SS*.THydrogen-bonded Turntrans-62127-178.500000111.2K94A92-K94 VanDerWaalsContact C-N 3.33Å
93G90.1Very high89.9Confident35 Ų3558.2 Ų58.236%0.36129%0.287SS..THydrogen-bonded Turntrans86.6-3.1-179.500000114.7E91 L116E91-G93 PolarHBondContact O-N 3.45Å; G93-L116 WeakPolarHBondContact O-CB 3.3Å; G93-L116 PolarHBondContact O-N 3.41Å
94K94.9Very high90.1Very high44 Ų4454.6 Ų54.619%0.19128%0.281CS..EExtended strand (participates in β ladder)trans-122.6156.2173-65-179.7-173.6163.40111.2E91 A92 Y96 W113 I114E91-K94 HydrophobicContact CB-CB 4.41Å; E91-K94 HydrophobicContact CG-CD 4.44Å; E91-K94 PolarHBondContact O-N 3.3Å; E91-K94 VanDerWaalsContact O-N 3.12Å; E91-K94 VanDerWaalsContact O-O 3.08Å; E91-K94 VanDerWaalsContact OE1-CD 3.24Å; E91-K94 WeakPolarHBondContact OE1-CD 3.34Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 3.27Å; E91-K94 PolarHBondContact OE1-NZ 2.96Å; E91-K94 IonicContact OE2-NZ 2.74Å; A92-K94 VanDerWaalsContact C-N 3.33Å; K94-Y96 HydrophobicContact CB-CE2 4.48Å; K94-W113 HydrophobicContact CD-CD2 4.12Å; K94-W113 HydrophobicContact CD-CE3 3.54Å; K94-W113 HydrophobicContact CD-CZ3 3.8Å; K94-W113 HydrophobicContact CG-CE3 4.08Å; K94-W113 HydrophobicContact CG-CZ3 4.37Å; K94-I114 CarbonylContact C-O 3.59Å; K94-I114 WeakPolarHBondContact CA-O 3.48Å
95V93.5Very high90.2Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-120.9126.6169.162.80000108.9F44 V86 D87 L88 L97 W113 I114 L116F44-V95 HydrophobicContact CE1-CG1 3.54Å; F44-V95 HydrophobicContact CZ-CG1 3.67Å; V86-V95 HydrophobicContact CG1-CG2 3.97Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; L88-V95 HydrophobicContact CD2-CB 3.77Å; L88-V95 HydrophobicContact CD2-CG2 3.59Å; L88-V95 HydrophobicContact CG-CG2 3.91Å; V95-L97 HydrophobicContact CG1-CD1 4.1Å; V95-L97 HydrophobicContact CG1-CD2 4.5Å; V95-L97 HydrophobicContact CG1-CG 4.15Å; V95-L97 HydrophobicContact CG2-CD2 3.66Å; V95-L97 HydrophobicContact CG2-CG 3.98Å; V95-W113 CarbonylContact O-C 3.55Å; V95-W113 WeakPolarHBondContact O-CA 3.05Å; V95-I114 HydrophobicContact CG1-CB 4.12Å; V95-I114 PolarHBondContact N-O 3.25Å; V95-I114 PolarHBondContact O-N 3.44Å; V95-L116 HydrophobicContact CB-CD2 4.22Å; V95-L116 HydrophobicContact CG1-CD2 4.04Å
96Y94.2Very high90.3Very high46 Ų4647.5 Ų47.518%0.1825%0.253CS..EExtended strand (participates in β ladder)trans-92.7133.3171-70.8-102.5000108.6D87 R90 E91 K94 G112 W113D87-Y96 PolarHBondContact N-O 3.1Å; D87-Y96 PolarHBondContact O-N 3.06Å; R90-Y96 HydrophobicContact CB-CD2 3.88Å; R90-Y96 HydrophobicContact CB-CE2 4.15Å; R90-Y96 HydrophobicContact CG-CD2 3.97Å; R90-Y96 HydrophobicContact CG-CE2 3.87Å; E91-Y96 HydrophobicContact CB-CE2 3.87Å; E91-Y96 PolarHBondContact OE2-OH 3.35Å; K94-Y96 HydrophobicContact CB-CE2 4.48Å; Y96-G112 WeakPolarHBondContact CA-O 3.28Å; Y96-W113 HydrophobicContact CD1-CB 3.72Å; Y96-W113 HydrophobicContact CD1-CG 4.45Å; Y96-W113 HydrophobicContact CD2-CB 4.31Å; Y96-W113 HydrophobicContact CE1-CB 3.8Å; Y96-W113 AromaticContact CE1-CD1 3.99Å; Y96-W113 HydrophobicContact CE1-CG 4.09Å; Y96-W113 HydrophobicContact CE2-CB 4.38Å; Y96-W113 HydrophobicContact CG-CB 3.99Å
97L93.7Very high90.4Very high5 Ų547 Ų473%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-132.1136.5-168.3-66.6174.1000108.7F44 F68 Y85 V86 V95 W110 K111 G112 I114F44-L97 HydrophobicContact CZ-CD1 4.1Å; F68-L97 HydrophobicContact CE1-CB 4.01Å; F68-L97 HydrophobicContact CE1-CD1 4.37Å; F68-L97 HydrophobicContact CE1-CD2 3.99Å; F68-L97 HydrophobicContact CE1-CG 4.35Å; F68-L97 HydrophobicContact CE2-CD2 4.08Å; F68-L97 HydrophobicContact CZ-CB 4.38Å; F68-L97 HydrophobicContact CZ-CD1 3.93Å; F68-L97 HydrophobicContact CZ-CD2 3.76Å; F68-L97 HydrophobicContact CZ-CG 4.25Å; Y85-L97 CarbonylContact O-C 3.56Å; Y85-L97 WeakPolarHBondContact O-CA 3.39Å; V86-L97 HydrophobicContact CB-CD2 4.18Å; V86-L97 HydrophobicContact CG1-CD2 3.89Å; V86-L97 HydrophobicContact CG2-CD2 3.82Å; V95-L97 HydrophobicContact CG1-CD1 4.1Å; V95-L97 HydrophobicContact CG1-CD2 4.5Å; V95-L97 HydrophobicContact CG1-CG 4.15Å; V95-L97 HydrophobicContact CG2-CD2 3.66Å; V95-L97 HydrophobicContact CG2-CG 3.98Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 WeakPolarHBondContact O-CZ3 3.25Å; L97-K111 WeakPolarHBondContact O-CA 3.44Å; L97-G112 PolarHBondContact N-O 3.03Å; L97-G112 PolarHBondContact O-N 3.36Å; L97-I114 HydrophobicContact CD1-CD1 4.2Å
98K93.3Very high90.5Very high48 Ų4844.7 Ų44.721%0.20924%0.237CC..EExtended strand (participates in β ladder)trans-131.6128.6175.4178.4-172.6176-166.70108F68 E84 Y85 I109 W110 K111F68-K98 WeakPolarHBondContact CD1-O 3.39Å; E84-K98 IonicContact OE1-NZ 3.43Å; E84-K98 PolarHBondContact OE1-NZ 2.78Å; Y85-K98 HydrophobicContact CD1-CB 4.31Å; Y85-K98 HydrophobicContact CD1-CD 4.34Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.3Å; Y85-K98 WeakPolarHBondContact CD1-O 3.2Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.89Å; K98-I109 HydrophobicContact CD-CG2 4.29Å; K98-I109 HydrophobicContact CG-CG2 3.54Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.49Å; K98-K111 HydrophobicContact CG-CG 4.22Å
99A92.1Very high90.9Very high0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-138.2108.7-176.300000110.6L66 F68 W110L66-A99 HydrophobicContact CB-CB 3.96Å; L66-A99 HydrophobicContact CD1-CB 4.45Å; L66-A99 HydrophobicContact CD2-CB 4.06Å; L66-A99 HydrophobicContact CG-CB 4.38Å; F68-A99 HydrophobicContact CD1-CB 3.92Å; F68-A99 HydrophobicContact CE1-CB 4.07Å; A99-W110 HydrophobicContact CB-CB 4.41Å; A99-W110 HydrophobicContact CB-CE3 4.41Å; A99-W110 PolarHBondContact N-O 2.85Å; A99-W110 PolarHBondContact O-N 2.89Å
100P90.6Very high91.3Very high15 Ų1536.1 Ų36.110%0.09720%0.196CC..EExtended strand (participates in β ladder)trans-85.7124.9-179.637.6-36.9000110.5Y85 I109 R131Y85-P100 HydrophobicContact CE1-CG 3.89Å; P100-I109 HydrophobicContact CB-CG1 4.03Å; P100-R131 VanDerWaalsContact CB-NH1 3.29Å; P100-R131 PolarHBondContact O-NH1 3.41Å
101M89Confident91.6Very high29 Ų2931.5 Ų31.514%0.14318%0.18CC..EExtended strand (participates in β ladder)trans-144163.6-174.858.7173.948.300113.3S65 L66 L103 V108S65-M101 WeakPolarHBondContact O-CE 3.32Å; L66-M101 HydrophobicContact CD2-CE 3.65Å; M101-L103 HydrophobicContact SD-CD1 4.06Å; M101-V108 HydrophobicContact CG-CG2 3.86Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.61Å
102I89.4Confident91.8Very high43 Ų4328.5 Ų28.522%0.22117%0.169CC..EExtended strand (participates in β ladder)trans-105.7113.4172.3-55.7176000106.9R3 V4 V106 E135R3-I102 HydrophobicContact CB-CD1 4.43Å; V4-I102 HydrophobicContact CG1-CD1 4.26Å; V4-I102 HydrophobicContact CG1-CG2 4.2Å; I102-V106 WeakPolarHBondContact CA-O 3.47Å; I102-E135 HydrophobicContact CD1-CG 4.22Å
103L89.6Confident92.1Very high25 Ų2526.4 Ų26.413%0.13114%0.14CC..EExtended strand (participates in β ladder)trans-117.5124.8-177.7-160.6111000109.5F17 F18 L64 M101 G105 V106 V108F17-L103 HydrophobicContact CD1-CD2 4.2Å; F17-L103 HydrophobicContact CE1-CD2 3.16Å; F17-L103 HydrophobicContact CZ-CD2 3.66Å; F18-L103 HydrophobicContact CE1-CB 4.25Å; F18-L103 HydrophobicContact CE1-CD2 3.6Å; F18-L103 HydrophobicContact CZ-CB 4.4Å; F18-L103 HydrophobicContact CZ-CD2 3.9Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; L64-L103 HydrophobicContact CD2-CD1 3.74Å; M101-L103 HydrophobicContact SD-CD1 4.06Å; L103-G105 PolarHBondContact O-N 2.84Å; L103-V106 PolarHBondContact N-O 2.81Å; L103-V106 PolarHBondContact O-N 2.83Å; L103-V108 HydrophobicContact CB-CG2 3.99Å
104N87.1Confident92.4Very high91 Ų9124.7 Ų24.749%0.48712%0.122SC..THydrogen-bonded Turntrans48.731.4-175.7-62.2-19.2000114.1K11 F18K11-N104 PolarHBondContact NZ-O 2.88Å; F18-N104 HydrophobicContact CZ-CB 4.29Å
105G85.8Confident92.4Very high13 Ų1324.2 Ų24.213%0.13412%0.122CC..THydrogen-bonded Turntrans80.610.8-177.600000115.6V4 V5 L103V4-G105 CarbonylContact C-O 3.58Å; V4-G105 VanDerWaalsContact CA-O 3.25Å; V4-G105 WeakPolarHBondContact CA-O 3.32Å; V4-G105 WeakPolarHBondContact CB-O 3.44Å; V5-G105 WeakPolarHBondContact CG2-O 3.24Å; V5-G105 PolarHBondContact N-O 2.87Å; L103-G105 PolarHBondContact O-N 2.84Å
106V90.8Very high92.5Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-109.9126.8175.9-1780000109.1V5 Q8 K11 F12 F18 I102 L103 V108 F127V5-V106 HydrophobicContact CG2-CG2 4.19Å; Q8-V106 HydrophobicContact CB-CG1 4.27Å; K11-V106 HydrophobicContact CB-CG2 4.04Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.96Å; F12-V106 HydrophobicContact CB-CG1 3.99Å; F12-V106 HydrophobicContact CD2-CG1 4.16Å; F18-V106 HydrophobicContact CE1-CB 4.48Å; F18-V106 HydrophobicContact CE2-CB 4.23Å; F18-V106 HydrophobicContact CE2-CG2 3.81Å; F18-V106 HydrophobicContact CZ-CB 3.87Å; F18-V106 HydrophobicContact CZ-CG1 4.49Å; F18-V106 HydrophobicContact CZ-CG2 3.94Å; I102-V106 WeakPolarHBondContact CA-O 3.47Å; L103-V106 PolarHBondContact N-O 2.81Å; L103-V106 PolarHBondContact O-N 2.83Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 2.85Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.92Å
107C91.7Very high92.4Very high0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-69.3117.7170.5-68.30000110Q8 F127 D128 R131 A132Q8-C107 PolarHBondContact OE1-SG 3.36Å; C107-F127 WeakPolarHBondContact O-CD2 3.19Å; C107-D128 HydrophobicContact CB-CB 4.18Å; C107-D128 PolarHBondContact O-N 2.96Å; C107-D128 VanDerWaalsContact O-N 3.1Å; C107-R131 HydrophobicContact CB-CB 4.43Å; C107-A132 HydrophobicContact CB-CB 4Å
108V93.1Very high92.4Very high0 Ų037.3 Ų37.30%018%0.179CC..EExtended strand (participates in β ladder)trans-134.2151.9-180-61.80000110.5F12 F18 M101 L103 V106 L125 E126F12-V108 HydrophobicContact CD2-CG1 3.67Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.99Å; M101-V108 HydrophobicContact CG-CG2 3.86Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.61Å; L103-V108 HydrophobicContact CB-CG2 3.99Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 2.85Å; V108-L125 HydrophobicContact CG2-CD2 4.16Å; V108-E126 CarbonylContact C-O 3.49Å; V108-E126 WeakPolarHBondContact CA-O 3.45Å; V108-E126 WeakPolarHBondContact CB-O 3.49Å
109I94.2Very high92.5Very high20 Ų2035.3 Ų35.310%0.10317%0.17CC..EExtended strand (participates in β ladder)trans-110.1119.2168.4-64156000107.5K98 P100 K111 E126 D128K98-I109 HydrophobicContact CD-CG2 4.29Å; K98-I109 HydrophobicContact CG-CG2 3.54Å; P100-I109 HydrophobicContact CB-CG1 4.03Å; I109-K111 HydrophobicContact CG2-CG 3.85Å; I109-E126 PolarHBondContact N-O 2.94Å; I109-E126 PolarHBondContact O-N 3.5Å; I109-D128 HydrophobicContact CD1-CB 3.84Å; I109-D128 VanDerWaalsContact CD1-CG 3.49Å; I109-D128 WeakPolarHBondContact CD1-OD2 3.48Å; I109-D128 HydrophobicContact CG1-CB 3.84Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.07Å
110W94.9Very high92.7Very high0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans-77.8133165.6-176.994.2000109.2I27 I55 F57 L66 L97 K98 A99 C124 L125I27-W110 HydrophobicContact CD1-CH2 3.88Å; I27-W110 HydrophobicContact CD1-CZ2 3.47Å; I27-W110 VanDerWaalsContact CD1-CZ2 3.47Å; I55-W110 HydrophobicContact CD1-CZ2 3.92Å; I55-W110 HydrophobicContact CG1-CZ2 4Å; F57-W110 AromaticContact CE2-NE1 3.84Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.46Å; L66-W110 HydrophobicContact CD1-CD2 3.67Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CG 4.45Å; L66-W110 HydrophobicContact CD1-CH2 3.7Å; L66-W110 HydrophobicContact CD1-CZ2 3.92Å; L66-W110 HydrophobicContact CD1-CZ3 3.43Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.43Å; L66-W110 HydrophobicContact CD2-CB 4.11Å; L66-W110 HydrophobicContact CD2-CD2 3.98Å; L66-W110 HydrophobicContact CD2-CE3 4.31Å; L66-W110 HydrophobicContact CD2-CG 3.9Å; L66-W110 HydrophobicContact CG-CE3 4.49Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 WeakPolarHBondContact O-CZ3 3.25Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.49Å; A99-W110 HydrophobicContact CB-CB 4.41Å; A99-W110 HydrophobicContact CB-CE3 4.41Å; A99-W110 PolarHBondContact N-O 2.85Å; A99-W110 PolarHBondContact O-N 2.89Å; W110-C124 WeakPolarHBondContact CA-O 3.5Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.1Å
111K94.9Very high93Very high70 Ų7035.8 Ų35.830%0.30417%0.173SC..EExtended strand (participates in β ladder)trans-130.9142.1173.4-64.2-174.5-174.6166.10109.3L97 K98 I109 G123 C124 E126L97-K111 WeakPolarHBondContact O-CA 3.44Å; K98-K111 HydrophobicContact CG-CG 4.22Å; I109-K111 HydrophobicContact CG2-CG 3.85Å; K111-G123 CarbonylContact O-C 3.46Å; K111-G123 WeakPolarHBondContact O-CA 3.45Å; K111-C124 PolarHBondContact N-O 2.75Å; K111-C124 PolarHBondContact O-N 2.7Å; K111-E126 WeakPolarHBondContact CE-OE2 3.46Å; K111-E126 IonicContact NZ-OE1 3Å; K111-E126 PolarHBondContact NZ-OE1 2.99Å; K111-E126 IonicContact NZ-OE2 2.7Å; K111-E126 PolarHBondContact NZ-OE2 3.07Å
112G95.5Very high93.3Very high12 Ų1236.8 Ų36.812%0.12418%0.178CC..EExtended strand (participates in β ladder)trans-175.9179.1175.500000112.5Y96 L97 M122Y96-G112 WeakPolarHBondContact CA-O 3.28Å; L97-G112 PolarHBondContact N-O 3.03Å; L97-G112 PolarHBondContact O-N 3.36Å; G112-M122 CarbonylContact C-O 3.59Å; G112-M122 WeakPolarHBondContact CA-O 3.23Å
113W95.7Very high93.6Very high58 Ų5834.9 Ų34.922%0.2217%0.168CC..EExtended strand (participates in β ladder)trans-133.2149.7171.261.3-93000110.2K94 V95 Y96 D115 G121 M122K94-W113 HydrophobicContact CD-CD2 4.12Å; K94-W113 HydrophobicContact CD-CE3 3.54Å; K94-W113 HydrophobicContact CD-CZ3 3.8Å; K94-W113 HydrophobicContact CG-CE3 4.08Å; K94-W113 HydrophobicContact CG-CZ3 4.37Å; V95-W113 CarbonylContact O-C 3.55Å; V95-W113 WeakPolarHBondContact O-CA 3.05Å; Y96-W113 HydrophobicContact CD1-CB 3.72Å; Y96-W113 HydrophobicContact CD1-CG 4.45Å; Y96-W113 HydrophobicContact CD2-CB 4.31Å; Y96-W113 HydrophobicContact CE1-CB 3.8Å; Y96-W113 AromaticContact CE1-CD1 3.99Å; Y96-W113 HydrophobicContact CE1-CG 4.09Å; Y96-W113 HydrophobicContact CE2-CB 4.38Å; Y96-W113 HydrophobicContact CG-CB 3.99Å; W113-D115 HydrophobicContact CZ3-CB 4.48Å; W113-G121 WeakPolarHBondContact O-CA 3.48Å; W113-M122 HydrophobicContact CH2-CG 4.45Å; W113-M122 HydrophobicContact CZ2-CB 4.12Å; W113-M122 HydrophobicContact CZ2-CG 3.66Å; W113-M122 PolarHBondContact N-O 3.1Å; W113-M122 PolarHBondContact O-N 3Å; W113-M122 VanDerWaalsContact O-N 3.08Å
114I96.1Very high93.9Very high0 Ų034.8 Ų34.80%017%0.169CC..EExtended strand (participates in β ladder)trans-130.3134.8177.7-64.7179.2000109I27 F44 I55 K94 V95 L97 D120I27-I114 HydrophobicContact CD1-CD1 4.07Å; I27-I114 HydrophobicContact CD1-CG1 3.71Å; I27-I114 HydrophobicContact CG1-CG1 4.4Å; F44-I114 HydrophobicContact CE1-CB 4.17Å; F44-I114 HydrophobicContact CE1-CG2 3.77Å; F44-I114 HydrophobicContact CE2-CD1 3.9Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.78Å; F44-I114 HydrophobicContact CZ-CD1 3.71Å; F44-I114 HydrophobicContact CZ-CG1 4.29Å; F44-I114 HydrophobicContact CZ-CG2 3.66Å; I55-I114 HydrophobicContact CG2-CD1 3.65Å; K94-I114 CarbonylContact C-O 3.59Å; K94-I114 WeakPolarHBondContact CA-O 3.48Å; V95-I114 HydrophobicContact CG1-CB 4.12Å; V95-I114 PolarHBondContact N-O 3.25Å; V95-I114 PolarHBondContact O-N 3.44Å; L97-I114 HydrophobicContact CD1-CD1 4.2Å; I114-D120 WeakPolarHBondContact CA-O 3.41Å
115D96.2Very high94.3Very high33 Ų3330.5 Ų30.518%0.17615%0.147CC..EExtended strand (participates in β ladder)trans-72.1125.4170.6-174.2-64.4000110.2W113 Q117 R118 L119 D120W113-D115 HydrophobicContact CZ3-CB 4.48Å; D115-Q117 VanDerWaalsContact C-N 3.26Å; D115-Q117 PolarHBondContact O-N 3.11Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.38Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.09Å; D115-Q117 PolarHBondContact OD1-N 2.81Å; D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 2.97Å; D115-L119 VanDerWaalsContact O-CA 3.3Å; D115-L119 WeakPolarHBondContact O-CA 3.34Å; D115-L119 PolarHBondContact O-N 3.44Å; D115-D120 WeakPolarHBondContact CB-O 3.36Å; D115-D120 PolarHBondContact N-O 3.02Å
116L93.6Very high94.7Very high27 Ų2733.7 Ų33.714%0.14116%0.158CC..THydrogen-bonded Turntrans-69.7-23.2-176-67.2176.1000113Q41 F44 Q45 L88 G93 V95Q41-L116 WeakPolarHBondContact CG-O 3.25Å; F44-L116 HydrophobicContact CD1-CD2 4.06Å; F44-L116 HydrophobicContact CE1-CD2 3.88Å; Q45-L116 HydrophobicContact CG-CD2 3.83Å; L88-L116 HydrophobicContact CD2-CD1 4.37Å; L88-L116 HydrophobicContact CD2-CD2 4.48Å; G93-L116 WeakPolarHBondContact O-CB 3.3Å; G93-L116 PolarHBondContact O-N 3.41Å; V95-L116 HydrophobicContact CB-CD2 4.22Å; V95-L116 HydrophobicContact CG1-CD2 4.04Å
117Q92.8Very high94.8Very high142 Ų14235.9 Ų35.966%0.66417%0.167SC*.THydrogen-bonded Turntrans-88.5-45.4176.6-67.1-172.8-0.700111.2H37 Q41 D115H37-Q117 PolarHBondContact CE1-O 3.11Å; H37-Q117 PolarHBondContact NE2-O 3.29Å; Q41-Q117 PolarHBondContact NE2-O 3.49Å; D115-Q117 VanDerWaalsContact C-N 3.26Å; D115-Q117 PolarHBondContact O-N 3.11Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.38Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.09Å; D115-Q117 PolarHBondContact OD1-N 2.81Å
118R94.7Very high94.9Very high158 Ų15836.8 Ų36.860%0.59617%0.173SC*.THydrogen-bonded Turntrans-86.8-22.4-174.1-65.7173.853.8178.1-3.8113.7D115 D120D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 2.97Å; R118-D120 VanDerWaalsContact CB-OD1 3.23Å; R118-D120 WeakPolarHBondContact CB-OD1 3.3Å; R118-D120 IonicContact CZ-OD1 3.34Å; R118-D120 IonicContact CZ-OD2 3.82Å; R118-D120 VanDerWaalsContact CZ-OD2 3.27Å; R118-D120 IonicContact NE-OD1 3.82Å; R118-D120 PolarHBondContact NE-OD1 3.08Å; R118-D120 VanDerWaalsContact NE-OD1 3.11Å; R118-D120 IonicContact NE-OD2 3.03Å; R118-D120 PolarHBondContact NE-OD2 2.73Å; R118-D120 IonicContact NH2-OD1 3.88Å; R118-D120 IonicContact NH2-OD2 3.66Å; R118-D120 PolarHBondContact NH2-OD2 3.05Å; R118-D120 PolarHBondContact O-N 2.86Å
119L95.3Very high94.7Very high6 Ų641.4 Ų41.43%0.03119%0.194CC..SBendtrans59.829.2-174.6-53.9178000113Y29 R40 Q41 F44 D115Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 PolarHBondContact N-O 2.83Å; R40-L119 HydrophobicContact CB-CD1 3.63Å; Q41-L119 HydrophobicContact CG-CD1 4.1Å; Q41-L119 HydrophobicContact CG-CD2 4.25Å; Q41-L119 HydrophobicContact CG-CG 4.19Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.8Å; F44-L119 HydrophobicContact CG-CD2 4.01Å; D115-L119 VanDerWaalsContact O-CA 3.3Å; D115-L119 WeakPolarHBondContact O-CA 3.34Å; D115-L119 PolarHBondContact O-N 3.44Å
120D96.1Very high94.4Very high21 Ų2148.1 Ų48.111%0.11223%0.225CC..EExtended strand (participates in β ladder)trans-127.7167.2172.363.721.9000110.2I27 K28 I114 D115 R118I27-D120 CarbonylContact O-C 3.05Å; I27-D120 WeakPolarHBondContact O-CA 3.22Å; K28-D120 HydrophobicContact CG-CB 3.91Å; I114-D120 WeakPolarHBondContact CA-O 3.41Å; D115-D120 WeakPolarHBondContact CB-O 3.36Å; D115-D120 PolarHBondContact N-O 3.02Å; R118-D120 VanDerWaalsContact CB-OD1 3.23Å; R118-D120 WeakPolarHBondContact CB-OD1 3.3Å; R118-D120 IonicContact CZ-OD1 3.34Å; R118-D120 IonicContact CZ-OD2 3.82Å; R118-D120 VanDerWaalsContact CZ-OD2 3.27Å; R118-D120 IonicContact NE-OD1 3.82Å; R118-D120 PolarHBondContact NE-OD1 3.08Å; R118-D120 VanDerWaalsContact NE-OD1 3.11Å; R118-D120 IonicContact NE-OD2 3.03Å; R118-D120 PolarHBondContact NE-OD2 2.73Å; R118-D120 IonicContact NH2-OD1 3.88Å; R118-D120 IonicContact NH2-OD2 3.66Å; R118-D120 PolarHBondContact NH2-OD2 3.05Å; R118-D120 PolarHBondContact O-N 2.86Å
121G96.1Very high94Very high4 Ų449.5 Ų49.54%0.04123%0.23CC..EExtended strand (participates in β ladder)trans174.3-153.2178.500000112.2E26 I27 W113E26-G121 WeakPolarHBondContact CA-O 3.12Å; I27-G121 VanDerWaalsContact CG1-C 3.4Å; I27-G121 WeakPolarHBondContact CG1-O 3.23Å; I27-G121 PolarHBondContact N-O 2.8Å; I27-G121 PolarHBondContact O-N 2.98Å; W113-G121 WeakPolarHBondContact O-CA 3.48Å
122M96.4Very high93.6Very high50 Ų5046.5 Ų46.525%0.24622%0.219CC..EExtended strand (participates in β ladder)trans-126.8144.2-179.1-58.1-64.1-71.400110.9E24 C25 E26 I27 G112 W113E24-M122 HydrophobicContact CB-CE 4.37Å; E24-M122 HydrophobicContact CG-CB 3.88Å; E24-M122 HydrophobicContact CG-CE 3.7Å; E24-M122 HydrophobicContact CG-CG 4.49Å; C25-M122 CarbonylContact O-C 3.57Å; C25-M122 WeakPolarHBondContact O-CA 3.44Å; E26-M122 HydrophobicContact CB-SD 4.21Å; I27-M122 WeakPolarHBondContact CD1-O 3.46Å; G112-M122 CarbonylContact C-O 3.59Å; G112-M122 WeakPolarHBondContact CA-O 3.23Å; W113-M122 HydrophobicContact CH2-CG 4.45Å; W113-M122 HydrophobicContact CZ2-CB 4.12Å; W113-M122 HydrophobicContact CZ2-CG 3.66Å; W113-M122 PolarHBondContact N-O 3.1Å; W113-M122 PolarHBondContact O-N 3Å; W113-M122 VanDerWaalsContact O-N 3.08Å
123G95.9Very high93.2Very high2 Ų251.9 Ų51.92%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-154.8165.117400000113C25 F57 K111C25-G123 PolarHBondContact N-O 2.75Å; C25-G123 PolarHBondContact O-N 2.83Å; F57-G123 WeakPolarHBondContact CE1-O 3.44Å; K111-G123 CarbonylContact O-C 3.46Å; K111-G123 WeakPolarHBondContact O-CA 3.45Å
124C94.9Very high92.6Very high23 Ų2355 Ų5516%0.15526%0.257CS..EExtended strand (participates in β ladder)trans-151.5166.8177.459.60000111.2L21 W110 K111L21-C124 CarbonylContact O-C 3.48Å; L21-C124 VanDerWaalsContact O-CA 3.26Å; L21-C124 WeakPolarHBondContact O-CA 3.28Å; W110-C124 WeakPolarHBondContact CA-O 3.5Å; K111-C124 PolarHBondContact N-O 2.75Å; K111-C124 PolarHBondContact O-N 2.7Å
125L94.9Very high92.1Very high2 Ų256.3 Ų56.31%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-101.5135.9169.6-66.1-179.9000110.6F12 F18 L21 S22 L64 V108 W110F12-L125 HydrophobicContact CE2-CB 4.29Å; F18-L125 HydrophobicContact CD1-CD1 4.15Å; F18-L125 HydrophobicContact CE1-CD1 4.41Å; L21-L125 HydrophobicContact CB-CB 4.49Å; L21-L125 HydrophobicContact CB-CD1 3.67Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.8Å; L21-L125 HydrophobicContact CG-CD1 4.41Å; L21-L125 PolarHBondContact O-N 3.01Å; S22-L125 VanDerWaalsContact CA-O 3.25Å; S22-L125 WeakPolarHBondContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CB-O 3.3Å; L64-L125 HydrophobicContact CD1-CD2 4.47Å; V108-L125 HydrophobicContact CG2-CD2 4.16Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.1Å
126E94.9Very high91.5Very high79 Ų7957.2 Ų57.237%0.36927%0.268SS..EExtended strand (participates in β ladder)trans-117.3149.6170.2-67.1-178.6-17000110V108 I109 K111V108-E126 CarbonylContact C-O 3.49Å; V108-E126 WeakPolarHBondContact CA-O 3.45Å; V108-E126 WeakPolarHBondContact CB-O 3.49Å; I109-E126 PolarHBondContact N-O 2.94Å; I109-E126 PolarHBondContact O-N 3.5Å; K111-E126 WeakPolarHBondContact CE-OE2 3.46Å; K111-E126 IonicContact NZ-OE1 3Å; K111-E126 PolarHBondContact NZ-OE1 2.99Å; K111-E126 IonicContact NZ-OE2 2.7Å; K111-E126 PolarHBondContact NZ-OE2 3.07Å
127F93.5Very high91Very high46 Ų4658 Ų5820%0.20228%0.279CS..EExtended strand (participates in β ladder)trans-75.4133.3174.8-178-111.9000110.5Q8 R9 F12 V106 C107 E129 A132Q8-F127 HydrophobicContact CB-CE2 3.79Å; Q8-F127 HydrophobicContact CB-CZ 4.08Å; R9-F127 HydrophobicContact CB-CE1 3.96Å; R9-F127 HydrophobicContact CB-CE2 4.5Å; R9-F127 HydrophobicContact CB-CZ 3.92Å; R9-F127 HydrophobicContact CG-CE1 4.3Å; F12-F127 HydrophobicContact CB-CD2 4.03Å; F12-F127 HydrophobicContact CD1-CB 3.82Å; F12-F127 HydrophobicContact CD2-CB 4.38Å; F12-F127 HydrophobicContact CD2-CD2 4.43Å; F12-F127 HydrophobicContact CE1-CB 3.93Å; F12-F127 HydrophobicContact CE2-CB 4.48Å; F12-F127 HydrophobicContact CG-CB 4.05Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.27Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.92Å; C107-F127 WeakPolarHBondContact O-CD2 3.19Å; F127-E129 HydrophobicContact CD1-CB 4.07Å; F127-E129 HydrophobicContact CE1-CB 3.86Å; F127-E129 HydrophobicContact CE1-CG 4.24Å; F127-A132 HydrophobicContact CE1-CB 4.3Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.53Å
128D93.1Very high90.6Very high20 Ų2055.3 Ų55.311%0.10727%0.269CS..  trans-99.587.7178.9-167.4-19.1000109.8C107 I109 R131 A132C107-D128 HydrophobicContact CB-CB 4.18Å; C107-D128 PolarHBondContact O-N 2.96Å; C107-D128 VanDerWaalsContact O-N 3.1Å; I109-D128 HydrophobicContact CD1-CB 3.84Å; I109-D128 VanDerWaalsContact CD1-CG 3.49Å; I109-D128 WeakPolarHBondContact CD1-OD2 3.48Å; I109-D128 HydrophobicContact CG1-CB 3.84Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.07Å; D128-R131 HydrophobicContact CB-CB 4.15Å; D128-R131 VanDerWaalsContact OD1-CB 3.3Å; D128-R131 WeakPolarHBondContact OD1-CB 2.93Å; D128-R131 PolarHBondContact OD1-N 2.82Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.02Å; D128-A132 WeakPolarHBondContact O-CB 3.43Å; D128-A132 PolarHBondContact O-N 2.83Å
129E89.3Confident89.9Confident97 Ų9748.6 Ų48.645%0.45325%0.247SC..Hα-helixtrans-66.4-39.8-174.7-174.2164.2-150.200112.6R9 F127 A132 Q133R9-E129 IonicContact NH1-OE1 3.06Å; R9-E129 PolarHBondContact NH1-OE1 3.44Å; F127-E129 HydrophobicContact CD1-CB 4.07Å; F127-E129 HydrophobicContact CE1-CB 3.86Å; F127-E129 HydrophobicContact CE1-CG 4.24Å; E129-A132 PolarHBondContact O-N 2.9Å; E129-Q133 WeakPolarHBondContact O-CG 3.25Å; E129-Q133 PolarHBondContact O-N 2.95Å
130E88Confident89.1Confident161 Ų16153.3 Ų53.375%0.75227%0.268SS*.Hα-helixtrans-63.8-49.7179.2-174179.895.800110.6Q133 Q134E130-Q133 PolarHBondContact O-N 3.43Å; E130-Q134 PolarHBondContact O-N 3.44Å; E130-Q134 VanDerWaalsContact O-N 3.07Å
131R85.3Confident88.3Confident29 Ų2958 Ų5811%0.10929%0.29CS..Hα-helixtrans-71.8-31.7179.1-165.7173.9166.9-172.6-10.2112.5P100 C107 D128 Q133 Q134 E135P100-R131 VanDerWaalsContact CB-NH1 3.29Å; P100-R131 PolarHBondContact O-NH1 3.41Å; C107-R131 HydrophobicContact CB-CB 4.43Å; D128-R131 HydrophobicContact CB-CB 4.15Å; D128-R131 VanDerWaalsContact OD1-CB 3.3Å; D128-R131 WeakPolarHBondContact OD1-CB 2.93Å; D128-R131 PolarHBondContact OD1-N 2.82Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.02Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; R131-Q134 PolarHBondContact O-N 3.48Å; R131-E135 HydrophobicContact CG-CG 4.26Å; R131-E135 WeakPolarHBondContact O-CB 3.39Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 2.9Å
132A87.4Confident87.6Confident7 Ų760.6 Ų60.66%0.05831%0.311CS..Hα-helixtrans-59.9-46.4172.900000110.9Q8 C107 F127 D128 E129 D136Q8-A132 PolarHBondContact NE2-O 3.4Å; C107-A132 HydrophobicContact CB-CB 4Å; F127-A132 HydrophobicContact CE1-CB 4.3Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.53Å; D128-A132 WeakPolarHBondContact O-CB 3.43Å; D128-A132 PolarHBondContact O-N 2.83Å; E129-A132 PolarHBondContact O-N 2.9Å; A132-D136 WeakPolarHBondContact O-CB 3.38Å; A132-D136 PolarHBondContact O-N 3.49Å
133Q86Confident86.6Confident125 Ų12564.6 Ų64.658%0.58433%0.327SS*.Hα-helixtrans-63.3-43.2176.8-72175.522.700111.9E129 E130 R131 D136 A137E129-Q133 WeakPolarHBondContact O-CG 3.25Å; E129-Q133 PolarHBondContact O-N 2.95Å; E130-Q133 PolarHBondContact O-N 3.43Å; R131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-D136 PolarHBondContact O-N 3.07Å; Q133-A137 WeakPolarHBondContact O-CB 3.2Å; Q133-A137 PolarHBondContact O-N 3.35Å
134Q84.9Confident85.8Confident123 Ų12370.8 Ų70.858%0.57536%0.356SS*.Hα-helixtrans-65-46.4179.6-169.117619.500112.3E130 R131 D136 A137 L138E130-Q134 PolarHBondContact O-N 3.44Å; E130-Q134 VanDerWaalsContact O-N 3.07Å; R131-Q134 PolarHBondContact O-N 3.48Å; Q134-D136 VanDerWaalsContact C-N 3.35Å; Q134-A137 PolarHBondContact O-N 2.83Å; Q134-L138 HydrophobicContact CG-CD1 4.48Å; Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 2.97Å
135E84.6Confident85.2Confident27 Ų2774.2 Ų74.213%0.12637%0.369CS..Hα-helixtrans-68.5-34177.4-71.1-77.1141.700111.9V4 I102 R131 L138 A139V4-E135 HydrophobicContact CG1-CB 3.7Å; V4-E135 HydrophobicContact CG1-CG 4.37Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; I102-E135 HydrophobicContact CD1-CG 4.22Å; R131-E135 HydrophobicContact CG-CG 4.26Å; R131-E135 WeakPolarHBondContact O-CB 3.39Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 2.9Å; E135-L138 PolarHBondContact O-N 3.4Å; E135-A139 VanDerWaalsContact O-CB 3.23Å; E135-A139 WeakPolarHBondContact O-CB 3.29Å; E135-A139 PolarHBondContact O-N 3.35Å
136D84.3Confident84.4Confident53 Ų5376.4 Ų76.428%0.28339%0.388SS..Hα-helixtrans-66.6-44.3175.5-16558.6000111.2A132 Q133 Q134 L138 A139 Q140A132-D136 WeakPolarHBondContact O-CB 3.38Å; A132-D136 PolarHBondContact O-N 3.49Å; Q133-D136 PolarHBondContact O-N 3.07Å; Q134-D136 VanDerWaalsContact C-N 3.35Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.36Å; D136-A139 PolarHBondContact O-N 2.84Å; D136-Q140 WeakPolarHBondContact O-CB 3.43Å; D136-Q140 VanDerWaalsContact O-CG 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.06Å; D136-Q140 PolarHBondContact OD2-NE2 3.39Å
137A83.5Confident83.6Confident43 Ų4381.3 Ų81.336%0.35540%0.403SS..Hα-helixtrans-59.7-43.317400000112Q133 Q134 Q140 Q141Q133-A137 WeakPolarHBondContact O-CB 3.2Å; Q133-A137 PolarHBondContact O-N 3.35Å; Q134-A137 PolarHBondContact O-N 2.83Å; A137-Q140 PolarHBondContact O-N 3.14Å; A137-Q141 VanDerWaalsContact O-CG 3.29Å; A137-Q141 WeakPolarHBondContact O-CG 3.11Å; A137-Q141 PolarHBondContact O-N 3.43Å
138L83.6Confident83Confident86 Ų8686.9 Ų86.945%0.4542%0.422SS..Hα-helixtrans-65.4-40.2175.5-73.4169.8000112.2Q134 E135 D136 Q141 A142Q134-L138 HydrophobicContact CG-CD1 4.48Å; Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 2.97Å; E135-L138 PolarHBondContact O-N 3.4Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.36Å; L138-Q141 PolarHBondContact O-N 2.88Å; L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 3.43Å
139A79.9Confident82.4Confident17 Ų1793.3 Ų93.314%0.1445%0.445CS..Hα-helixtrans-66.3-40.8177.400000111.7P2 V4 E135 D136 A142 F143P2-A139 HydrophobicContact CB-CB 4.15Å; V4-A139 HydrophobicContact CG2-CB 3.92Å; E135-A139 VanDerWaalsContact O-CB 3.23Å; E135-A139 WeakPolarHBondContact O-CB 3.29Å; E135-A139 PolarHBondContact O-N 3.35Å; D136-A139 PolarHBondContact O-N 2.84Å; A139-A142 PolarHBondContact O-N 3.35Å; A139-F143 WeakPolarHBondContact O-CB 3.34Å; A139-F143 PolarHBondContact O-N 3.2Å
140Q77.6Confident82Confident104 Ų10492.4 Ų92.449%0.48645%0.446SS..Hα-helixtrans-62.2-47.3174.1-72.3177.215.100111D136 A137 A142 F143 E144D136-Q140 WeakPolarHBondContact O-CB 3.43Å; D136-Q140 VanDerWaalsContact O-CG 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.06Å; D136-Q140 PolarHBondContact OD2-NE2 3.39Å; A137-Q140 PolarHBondContact O-N 3.14Å; Q140-A142 PolarHBondContact O-N 2.9Å; Q140-F143 WeakPolarHBondContact O-CB 3.39Å; Q140-F143 PolarHBondContact O-N 2.82Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q140-E144 WeakPolarHBondContact O-CG 3.42Å; Q140-E144 PolarHBondContact O-N 3.3Å
141Q80.9Confident81.7Confident120 Ų12092.8 Ų92.856%0.56144%0.441SS*.Hα-helixtrans-58.2-46.7175.4-74.9176.34.500112A137 L138 F143 E144 E145A137-Q141 VanDerWaalsContact O-CG 3.29Å; A137-Q141 WeakPolarHBondContact O-CG 3.11Å; A137-Q141 PolarHBondContact O-N 3.43Å; L138-Q141 PolarHBondContact O-N 2.88Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.45Å; Q141-E144 PolarHBondContact O-N 2.84Å; Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 PolarHBondContact O-N 2.97Å
142A80.1Confident81.5Confident58 Ų5894.7 Ų94.748%0.47945%0.451SS..Hα-helixtrans-63.8-35177.600000112.2L138 A139 Q140 A146L138-A142 WeakPolarHBondContact O-CB 3.5Å; L138-A142 PolarHBondContact O-N 3.43Å; A139-A142 PolarHBondContact O-N 3.35Å; Q140-A142 PolarHBondContact O-N 2.9Å; A142-A146 VanDerWaalsContact O-CB 3.29Å; A142-A146 WeakPolarHBondContact O-CB 3.35Å; A142-A146 PolarHBondContact O-N 2.94Å
143F76Confident81Confident135 Ų135101.4 Ų101.459%0.59248%0.479SS*.Hα-helixtrans-70.3-44176.3-173-95.9000112A139 Q140 Q141 E145 A146 R147A139-F143 WeakPolarHBondContact O-CB 3.34Å; A139-F143 PolarHBondContact O-N 3.2Å; Q140-F143 WeakPolarHBondContact O-CB 3.39Å; Q140-F143 PolarHBondContact O-N 2.82Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.45Å; F143-E145 VanDerWaalsContact C-N 3.35Å; F143-A146 PolarHBondContact O-N 3.06Å; F143-R147 VanDerWaalsContact O-CB 3.29Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 PolarHBondContact O-N 2.89Å
144E79.2Confident80.8Confident132 Ų132100.7 Ų100.762%0.61748%0.476SS*.Hα-helixtrans-62.5-42.5174.9-74.4-177.117400111.6Q140 Q141 R147 R148Q140-E144 WeakPolarHBondContact O-CG 3.42Å; Q140-E144 PolarHBondContact O-N 3.3Å; Q141-E144 PolarHBondContact O-N 2.84Å; E144-R147 PolarHBondContact O-N 3.29Å; E144-R148 VanDerWaalsContact O-CB 3.28Å; E144-R148 WeakPolarHBondContact O-CB 3.45Å; E144-R148 PolarHBondContact O-N 3.2Å
145E81.4Confident80.6Confident94 Ų9498.3 Ų98.344%0.43947%0.467SS..Hα-helixtrans-64.3-44176.3-166.8-174.7171.700111.3Q141 F143 R148 R149Q141-E145 WeakPolarHBondContact O-CB 3.29Å; Q141-E145 PolarHBondContact O-N 2.97Å; F143-E145 VanDerWaalsContact C-N 3.35Å; E145-R148 PolarHBondContact O-N 3.47Å; E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 2.98Å; E145-R149 IonicContact OE1-CZ 3.11Å; E145-R149 IonicContact OE1-NE 2.69Å; E145-R149 PolarHBondContact OE1-NE 3.25Å; E145-R149 IonicContact OE1-NH2 2.66Å; E145-R149 PolarHBondContact OE1-NH2 3.46Å
146A78.4Confident80.3Confident49 Ų49105.3 Ų105.341%0.40549%0.492SS..Hα-helixtrans-61.3-45.7174.700000111.5A142 F143 R148 R149 T150A142-A146 VanDerWaalsContact O-CB 3.29Å; A142-A146 WeakPolarHBondContact O-CB 3.35Å; A142-A146 PolarHBondContact O-N 2.94Å; F143-A146 PolarHBondContact O-N 3.06Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.45Å; A146-R149 PolarHBondContact O-N 3.48Å; A146-T150 PolarHBondContact O-N 2.9Å; A146-T150 PolarHBondContact O-OG1 3.37Å; A146-T150 VanDerWaalsContact O-OG1 3.06Å
147R79.6Confident80.1Confident182 Ų182107.4 Ų107.469%0.68750%0.504SS*.Hα-helixtrans-62.3-40.9177.8-174.4179.1179-175.80.9111.8F143 E144 T150 R151F143-R147 VanDerWaalsContact O-CB 3.29Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 PolarHBondContact O-N 2.89Å; E144-R147 PolarHBondContact O-N 3.29Å; R147-T150 PolarHBondContact O-N 2.85Å; R147-R151 WeakPolarHBondContact O-CB 3.28Å; R147-R151 PolarHBondContact O-N 3.33Å
148R80Confident80Confident162 Ų162112.2 Ų112.261%0.61151%0.513SS*.Hα-helixtrans-63.3-46.5175.1-175.9-175.5136.6-159.1-9.4110.9E144 E145 A146 T150 R151 E152E144-R148 VanDerWaalsContact O-CB 3.28Å; E144-R148 WeakPolarHBondContact O-CB 3.45Å; E144-R148 PolarHBondContact O-N 3.2Å; E145-R148 PolarHBondContact O-N 3.47Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 3.45Å; R148-T150 PolarHBondContact O-N 3.45Å; R148-R151 PolarHBondContact O-N 3.36Å; R148-E152 HydrophobicContact CG-CG 4.45Å; R148-E152 IonicContact CZ-OE1 3.43Å; R148-E152 IonicContact NE-OE1 2.76Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NH2-OE1 3.18Å; R148-E152 PolarHBondContact NH2-OE1 3.18Å; R148-E152 WeakPolarHBondContact O-CB 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.38Å; R148-E152 PolarHBondContact O-N 2.89Å
149R80.5Confident79.9Confident156 Ų156111 Ų11159%0.58951%0.512SS*.Hα-helixtrans-60.6-42.6176.2-73.1176.2-175-1633.3112.1E145 A146 E152 F153E145-R149 WeakPolarHBondContact O-CB 3.48Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.43Å; E145-R149 PolarHBondContact O-N 2.98Å; E145-R149 IonicContact OE1-CZ 3.11Å; E145-R149 IonicContact OE1-NE 2.69Å; E145-R149 PolarHBondContact OE1-NE 3.25Å; E145-R149 IonicContact OE1-NH2 2.66Å; E145-R149 PolarHBondContact OE1-NH2 3.46Å; A146-R149 PolarHBondContact O-N 3.48Å; R149-E152 PolarHBondContact O-N 3.26Å; R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 2.96Å
150T79.9Confident80Confident77 Ų77115.5 Ų115.547%0.47253%0.529SS..Hα-helixtrans-62.4-45.5175.7-57.50000111A146 R147 R148 F153 E154A146-T150 PolarHBondContact O-N 2.9Å; A146-T150 PolarHBondContact O-OG1 3.37Å; A146-T150 VanDerWaalsContact O-OG1 3.06Å; R147-T150 PolarHBondContact O-N 2.85Å; R148-T150 PolarHBondContact O-N 3.45Å; T150-F153 WeakPolarHBondContact O-CB 3.35Å; T150-F153 PolarHBondContact O-N 2.81Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 3.37Å
151R81.8Confident80.1Confident169 Ų169118.3 Ų118.364%0.63854%0.535SS*.Hα-helixtrans-63.4-44.5177.4-172.6177.6179.5178.52.6112.5R147 R148 F153 E154 D155R147-R151 WeakPolarHBondContact O-CB 3.28Å; R147-R151 PolarHBondContact O-N 3.33Å; R148-R151 PolarHBondContact O-N 3.36Å; R151-F153 PolarHBondContact O-N 2.93Å; R151-E154 PolarHBondContact O-N 3.26Å; R151-D155 WeakPolarHBondContact O-CB 3.42Å; R151-D155 PolarHBondContact O-N 2.9Å
152E82.7Confident80.2Confident70 Ų70118 Ų11833%0.32753%0.534SS..Hα-helixtrans-60.3-35.3175-74.6175.8-172.100111.7R148 R149 R156R148-E152 HydrophobicContact CG-CG 4.45Å; R148-E152 IonicContact CZ-OE1 3.43Å; R148-E152 IonicContact NE-OE1 2.76Å; R148-E152 PolarHBondContact NE-OE1 2.89Å; R148-E152 IonicContact NH2-OE1 3.18Å; R148-E152 PolarHBondContact NH2-OE1 3.18Å; R148-E152 WeakPolarHBondContact O-CB 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.38Å; R148-E152 PolarHBondContact O-N 2.89Å; R149-E152 PolarHBondContact O-N 3.26Å; E152-R156 WeakPolarHBondContact O-CB 3.4Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.37Å; E152-R156 PolarHBondContact O-N 3.45Å; E152-R156 VanDerWaalsContact O-N 3.08Å
153F76.4Confident80.1Confident147 Ų147120.7 Ų120.765%0.64554%0.536SS*.Hα-helixtrans-70.9-45.7175.9-169.4-92.3000112.1R149 T150 R151 D155 R156 D157R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 2.96Å; T150-F153 WeakPolarHBondContact O-CB 3.35Å; T150-F153 PolarHBondContact O-N 2.81Å; R151-F153 PolarHBondContact O-N 2.93Å; F153-D155 PolarHBondContact O-N 3.18Å; F153-R156 PolarHBondContact O-N 2.89Å; F153-D157 WeakPolarHBondContact O-CB 3.49Å; F153-D157 PolarHBondContact O-N 3.37Å
154E82.1Confident80Confident111 Ų111119 Ų11952%0.51953%0.532SS..Hα-helixtrans-61.5-41.5175.8-73175.5175.500112.2T150 R151 D157 R158T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 3.37Å; R151-E154 PolarHBondContact O-N 3.26Å; E154-D157 PolarHBondContact O-N 2.87Å; E154-R158 WeakPolarHBondContact O-CB 3.4Å; E154-R158 PolarHBondContact O-N 2.92Å
155D80.6Confident80Confident72 Ų72117 Ų11739%0.38552%0.522SS..Hα-helixtrans-67.5-39.3177.7-73.7-22.7000111.1R151 F153 R158 S159R151-D155 WeakPolarHBondContact O-CB 3.42Å; R151-D155 PolarHBondContact O-N 2.9Å; F153-D155 PolarHBondContact O-N 3.18Å; D155-R158 PolarHBondContact O-N 3.47Å; D155-S159 WeakPolarHBondContact O-CB 3.41Å; D155-S159 PolarHBondContact O-N 2.87Å; D155-S159 PolarHBondContact O-OG 3.18Å
156R78.4Confident79.7Confident174 Ų174114.5 Ų114.566%0.65752%0.518SS*.Hα-helixtrans-64.3-46.1173.7-79.8176.9-176.4169.65.3112.1E152 F153 R158 S159 H160E152-R156 WeakPolarHBondContact O-CB 3.4Å; E152-R156 VanDerWaalsContact O-CG 3.26Å; E152-R156 WeakPolarHBondContact O-CG 3.37Å; E152-R156 PolarHBondContact O-N 3.45Å; E152-R156 VanDerWaalsContact O-N 3.08Å; F153-R156 PolarHBondContact O-N 2.89Å; R156-R158 VanDerWaalsContact C-N 3.31Å; R156-R158 PolarHBondContact O-N 3.32Å; R156-S159 WeakPolarHBondContact CA-OG 3.26Å; R156-S159 PolarHBondContact O-N 3.34Å; R156-S159 PolarHBondContact O-OG 3.48Å; R156-H160 WeakPolarHBondContact O-CB 3.34Å; R156-H160 PolarHBondContact O-N 2.97Å
157D79.3Confident79.3Confident98 Ų98120.1 Ų120.152%0.52453%0.529SS..Hα-helixtrans-60.7-43177.9-172.270.1000111.3F153 E154 H160 R161F153-D157 WeakPolarHBondContact O-CB 3.49Å; F153-D157 PolarHBondContact O-N 3.37Å; E154-D157 PolarHBondContact O-N 2.87Å; D157-H160 PolarHBondContact O-N 2.74Å; D157-R161 WeakPolarHBondContact O-CB 3.46Å; D157-R161 PolarHBondContact O-N 2.76Å
158R81.9Confident78.6Confident144 Ų144121.3 Ų121.354%0.54353%0.533SS..Hα-helixtrans-60.6-49.7173.5-171.2-176.2-58.8166.46.7111.9E154 D155 R156 H160 R161 E162E154-R158 WeakPolarHBondContact O-CB 3.4Å; E154-R158 PolarHBondContact O-N 2.92Å; D155-R158 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact C-N 3.31Å; R156-R158 PolarHBondContact O-N 3.32Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 3.5Å; R158-R161 WeakPolarHBondContact O-CB 3.48Å; R158-R161 PolarHBondContact O-N 2.66Å; R158-E162 HydrophobicContact CG-CG 4.49Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.08Å
159S80.6Confident77.8Confident61 Ų61121.3 Ų121.343%0.42754%0.54SS..Hα-helixtrans-61.1-38.717967.20000112.3D155 R156 E162 E163D155-S159 WeakPolarHBondContact O-CB 3.41Å; D155-S159 PolarHBondContact O-N 2.87Å; D155-S159 PolarHBondContact O-OG 3.18Å; R156-S159 WeakPolarHBondContact CA-OG 3.26Å; R156-S159 PolarHBondContact O-N 3.34Å; R156-S159 PolarHBondContact O-OG 3.48Å; S159-E162 PolarHBondContact O-N 3.41Å; S159-E163 WeakPolarHBondContact O-CB 3.39Å; S159-E163 PolarHBondContact O-N 2.84Å
160H81.7Confident76.8Confident111 Ų111121.4 Ų121.451%0.51455%0.547SS..Hα-helixtrans-67.8-38.1178-179.8-93.7000111.2R156 D157 R158 M164R156-H160 WeakPolarHBondContact O-CB 3.34Å; R156-H160 PolarHBondContact O-N 2.97Å; D157-H160 PolarHBondContact O-N 2.74Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 3.5Å; H160-M164 WeakPolarHBondContact O-CB 3.49Å; H160-M164 VanDerWaalsContact O-CG 3.31Å; H160-M164 WeakPolarHBondContact O-CG 3.39Å; H160-M164 PolarHBondContact O-N 2.91Å
161R80.4Confident75.5Confident163 Ų163123.8 Ų123.862%0.61556%0.557SS**Hα-helixtrans-65.7-45.5173.8-174.7177.3177.4165.21.7112D157 R158 E163 M164 E165D157-R161 WeakPolarHBondContact O-CB 3.46Å; D157-R161 PolarHBondContact O-N 2.76Å; R158-R161 WeakPolarHBondContact O-CB 3.48Å; R158-R161 PolarHBondContact O-N 2.66Å; R161-E163 VanDerWaalsContact C-N 3.35Å; R161-M164 PolarHBondContact O-N 3.38Å; R161-E165 IonicContact NE-OE1 3.18Å; R161-E165 PolarHBondContact NE-OE1 2.88Å; R161-E165 IonicContact NH2-OE1 3.5Å; R161-E165 WeakPolarHBondContact O-CB 3.31Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.32Å
162E82.5Confident74Confident114 Ų114121 Ų12153%0.53356%0.561SS.*Hα-helixtrans-62.7-40.4176.7-72.4172.5-178.300111.6R158 S159 E165 A166R158-E162 HydrophobicContact CG-CG 4.49Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.08Å; S159-E162 PolarHBondContact O-N 3.41Å; E162-E165 PolarHBondContact O-N 2.99Å; E162-A166 VanDerWaalsContact O-CB 3.3Å; E162-A166 WeakPolarHBondContact O-CB 3.37Å; E162-A166 PolarHBondContact O-N 3.4Å
163E79.2Confident72.4Confident113 Ų113122.6 Ų122.653%0.52858%0.58SS.*Hα-helixtrans-65.6-40.8175.4-169-178.3170.200112.1S159 R161 A166 R167S159-E163 WeakPolarHBondContact O-CB 3.39Å; S159-E163 PolarHBondContact O-N 2.84Å; R161-E163 VanDerWaalsContact C-N 3.35Å; E163-A166 PolarHBondContact O-N 3.33Å; E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 3.25Å
164M74.2Confident71.1Confident101 Ų101121.6 Ų121.650%0.49859%0.588SS.*Hα-helixtrans-64.6-40.9174.4-80.5-85-87.400112.3H160 R161 R168H160-M164 WeakPolarHBondContact O-CB 3.49Å; H160-M164 VanDerWaalsContact O-CG 3.31Å; H160-M164 WeakPolarHBondContact O-CG 3.39Å; H160-M164 PolarHBondContact O-N 2.91Å; R161-M164 PolarHBondContact O-N 3.38Å; M164-R168 WeakPolarHBondContact O-CG 3.49Å; M164-R168 PolarHBondContact O-N 3.05Å
165E77.6Confident69.5Low88 Ų88119.8 Ų119.841%0.41160%0.599SS.*Hα-helixtrans-68.1-39.3175.3-74.7178-166.500111.6R161 E162 R168 Q169R161-E165 IonicContact NE-OE1 3.18Å; R161-E165 PolarHBondContact NE-OE1 2.88Å; R161-E165 IonicContact NH2-OE1 3.5Å; R161-E165 WeakPolarHBondContact O-CB 3.31Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.32Å; E162-E165 PolarHBondContact O-N 2.99Å; E165-R168 PolarHBondContact O-N 3.38Å; E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 3.12Å
166A75.1Confident68Low43 Ų43121.8 Ų121.836%0.35562%0.619SS.*Hα-helixtrans-65.4-42.1174.400000112.3E162 E163 Q169 Q170E162-A166 VanDerWaalsContact O-CB 3.3Å; E162-A166 WeakPolarHBondContact O-CB 3.37Å; E162-A166 PolarHBondContact O-N 3.4Å; E163-A166 PolarHBondContact O-N 3.33Å; A166-Q169 PolarHBondContact O-N 3.19Å; A166-Q170 WeakPolarHBondContact O-CG 3.45Å; A166-Q170 PolarHBondContact O-N 3.01Å
167R70.3Confident66.3Low167 Ų167121.6 Ų121.663%0.6363%0.631SS**Hα-helixtrans-61.3-41.7172.8-83.6180171.7-132.60.8112.1E163 Q169 Q170 D171E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 3.25Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 3.23Å; R167-Q170 PolarHBondContact O-N 3.41Å; R167-D171 PolarHBondContact O-N 3.22Å
168R66Low64.9Low206 Ų206125 Ų12578%0.77765%0.648SS**Hα-helixtrans-63.2-32.9174.7-82.3-177.1172-165.5-1.5113.4M164 E165M164-R168 WeakPolarHBondContact O-CG 3.49Å; M164-R168 PolarHBondContact O-N 3.05Å; E165-R168 PolarHBondContact O-N 3.38Å
169Q62.3Low63Low162 Ų162121.9 Ų121.976%0.75766%0.661SS**Hα-helixtrans-79.3-23.3176.8-70.6176.443.600112.8E165 A166 R167E165-Q169 WeakPolarHBondContact O-CG 3.43Å; E165-Q169 PolarHBondContact O-N 3.12Å; A166-Q169 PolarHBondContact O-N 3.19Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 3.23Å
170Q59.2Low61.3Low158 Ų158123.2 Ų123.274%0.73868%0.684SS**Hα-helixtrans-86.2-12.3176.7-74.3179.924.800114.3A166 R167 P172A166-Q170 WeakPolarHBondContact O-CG 3.45Å; A166-Q170 PolarHBondContact O-N 3.01Å; R167-Q170 PolarHBondContact O-N 3.41Å; Q170-P172 VanDerWaalsContact C-CD 3.41Å; Q170-P172 WeakPolarHBondContact O-CD 2.97Å
171D54Low59.3Low128 Ų128121.7 Ų121.768%0.68470%0.698SS**  trans-97.586.3168.8-102.3-36.8000110.8R167 S173R167-D171 PolarHBondContact O-N 3.22Å; D171-S173 PolarHBondContact O-N 3.06Å; D171-S173 VanDerWaalsContact O-N 3.12Å
172P49.6Very low57.9Low109 Ų109121.4 Ų121.471%0.70871%0.709SS**  trans-70105.1159.530.1-29.3000106.7Q170Q170-P172 VanDerWaalsContact C-CD 3.41Å; Q170-P172 WeakPolarHBondContact O-CD 2.97Å
173S49.1Very low56.1Low104 Ų104122.9 Ų122.973%0.72772%0.72SS**  trans-51.2135.8171.8-73.30000110D171 G175D171-S173 PolarHBondContact O-N 3.06Å; D171-S173 VanDerWaalsContact O-N 3.12Å; S173-G175 PolarHBondContact O-N 3.35Å
174P49.8Very low54.8Low127 Ų127124.1 Ų124.183%0.82573%0.73SS**  trans-62.3130.917925.6-31.4000109S176P174-S176 PolarHBondContact O-N 3.01Å
175G48.3Very low53.5Low72 Ų72128.4 Ų128.474%0.74275%0.746SS**  trans-45125.9-167.500000115.5S173 N177S173-G175 PolarHBondContact O-N 3.35Å; G175-N177 VanDerWaalsContact C-N 3.33Å; G175-N177 PolarHBondContact O-N 2.87Å
176S49.2Very low52.1Low115 Ų115131.4 Ų131.480%0.80476%0.764SS**  trans-66.291.6154.37.10000108.7P174 L178P174-S176 PolarHBondContact O-N 3.01Å; S176-L178 PolarHBondContact O-N 3.45Å
177N42.4Very low50.7Low169 Ų169144.5 Ų144.590%0.90480%0.804SS**  trans-83.487.2165-119.628.7000108.7G175G175-N177 VanDerWaalsContact C-N 3.33Å; G175-N177 PolarHBondContact O-N 2.87Å
178L49.5Very low49.8Very low171 Ų171143.4 Ų143.490%0.89581%0.813SS**  trans-86.8117.1156.8-80.5165.5000107.5S176S176-L178 PolarHBondContact O-N 3.45Å
179G41.1Very low48.9Very low78 Ų78140.1 Ų140.180%0.80482%0.815SS**  trans164.888.5166.600000117.2
180G45.8Very low48.2Very low88 Ų88138.8 Ų138.891%0.90782%0.818SS**  trans85.5124.6130.700000119.2
181G39Very low47.5Very low79 Ų79137.7 Ų137.781%0.81482%0.822SS**  trans158.663.9161.900000114.4D183G181-D183 PolarHBondContact O-N 3.34Å
182D51.3Low47.1Very low158 Ų158138.3 Ų138.385%0.84583%0.831SS**  trans-57123.1155.3-132.5-77.9000108
183D45.7Very low46.9Very low144 Ų144140.3 Ų140.377%0.7784%0.839SS**  trans-156.5102.7151.1-129-72.9000111.7G181G181-D183 PolarHBondContact O-N 3.34Å
184L51.8Low46.8Very low139 Ų139142.9 Ų142.973%0.72885%0.847SS**  trans-61.2119162.4178.180.7000111.1
185K46.5Very low46.6Very low191 Ų191144.1 Ų144.183%0.8385%0.849SS**  trans-139.4113.6150.5-81.4-167.5177.9156.80113.5
186L47.5Very low46.4Very low152 Ų152150.1 Ų150.180%0.79686%0.858SS**  trans-37.9131.9152.7-95.967.4000112
187R47.2Very low46.2Very low317 Ų317153.3 Ų153.3100%1.19686%0.863SS**  -166.70105.2-129.8177.5176.9175.3-1.5112.1

Retrieved 187 of 187 residues in 40.9 ms (Link to these results)