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Zinc finger HIT domain-containing protein 1

Plays a role in chromatin remodeling by promoting the incorporation of histone variant H2AZ1/H2A.Z into the genome to regulate gene expression (By similarity). Promotes SRCAP complex-mediated deposition of histone variant H2AZ1 to lymphoid fate regulator genes, enhancing lymphoid lineage commitment (By similarity). Recruited to the promoter of the transcriptional activator MYOG at the early stages of muscle differentiation where it mediates binding of histone H2AZ1 to chromatin and induces muscle-specific gene expression (By similarity). Maintains hematopoietic stem cell (HSC) quiescence by determining the chromatin accessibility at distal enhancers of HSC quiescence genes such as PTEN, FSTL1 and KLF4, enhancing deposition of H2AZ1 to promote their sustained transcription and restricting PI3K-AKT signaling inhibition (By similarity). Plays a role in intestinal stem cell maintenance by promoting H2AZ1 deposition at the transcription start sites of genes involved in intestinal stem cell fate determination including LGR5, TGFB1 and TGFBR2, thereby contributing to gene transcription (By similarity). Promotes phosphorylation of the H2AZ1 chaperone VPS72/YL1 which enhances the interaction between HZAZ1 and VPS72 (By similarity). Regulates the entry of male germ cells into meiosis by controlling histone H2AZ1 deposition which facilitates the expression of meiotic genes such as MEIOSIN, leading to the initiation of meiosis (By similarity). Required for postnatal heart function through its role in maintenance of cardiac Ca(2+) homeostasis by modulating the expression of Ca(2+)-regulating proteins CASQ1 and ATP2A2/SERCA2A via deposition of histone H2AZ1 at their promoters (By similarity). During embryonic heart development, required for mitochondrial maturation and oxidative metabolism by functioning through H2AZ1 deposition to activate transcription of metabolic genes and is also required to maintain the stability of the respiratory complex (By similarity). In neural cells, increases deposition of the H2AZ1 histone variant and promotes neurite growth (By similarity). Plays a role in TP53/p53-mediated apoptosis induction by stimulating the transcriptional activation of several proapoptotic p53 target genes such as PMAIP1/NOXA and BBC3/PUMA (By similarity). Mediates cell cycle arrest induced in response to gamma-irradiation by enhancing recruitment of TP53/p53 to the promoter of the cell cycle inhibitor CDKN1A, leading to its transcriptional activation (By similarity). Recruited to the promoter of cyclin-dependent kinase CDK6 and inhibits its transcription, possibly by decreasing the acetylation level of histone H4, leading to cell cycle arrest at the G1 phase (By similarity). Plays a role in lens fiber cell differentiation by regulating the expression of cell cycle regulator CDKN1A/p21Cip1 (By similarity). Binds to transcriptional repressor NR1D2 and relieves it of its inhibitory effect on the transcription of apolipoprotein APOC3 without affecting its DNA-binding activity (By similarity).

AlphaFold DB , UniProt , Accession Q24JY4, Species BOVIN (Bos taurus, Bovine), Gene ZNHIT1, Length 154 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
1M49.1Very low50.1Low236 Ų236157.4 Ų157.4100%1.16379%0.793SS**  0115.20-65178.8-177.200106.8E3M1-E3 PolarHBondContact O-N 2.95Å
2V49.8Very low50.7Low136 Ų136151.5 Ų151.582%0.82477%0.765SS**  trans-77.4108.3179.5108.20000107.5K4V2-K4 PolarHBondContact O-N 2.94Å; V2-K4 VanDerWaalsContact O-N 3.07Å
3E47.5Very low51.2Low183 Ų183147.8 Ų147.886%0.85576%0.758SS**  trans-67.2105.7169.9-68.1-174.311700107.2M1 K5M1-E3 PolarHBondContact O-N 2.95Å; E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.11Å
4K51.8Low51.8Low185 Ų185142.1 Ų142.180%0.80475%0.754SS**  trans-6696169.1-93.5178.6173175.80107.4V2 T6V2-K4 PolarHBondContact O-N 2.94Å; V2-K4 VanDerWaalsContact O-N 3.07Å; K4-T6 VanDerWaalsContact C-N 3.31Å; K4-T6 PolarHBondContact O-N 2.89Å
5K48.5Very low52.6Low209 Ų209142.5 Ų142.591%0.90975%0.75SS**  trans-60.795168.8-147.2156.8-176.3169.50107.2E3 S7E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.11Å; K5-S7 PolarHBondContact O-N 3.11Å; K5-S7 VanDerWaalsContact O-N 3.09Å
6T47.1Very low53.5Low98 Ų98140.1 Ų140.160%0.60173%0.728SS**  trans-66.3109.7172.446.70000106.1K4 V8K4-T6 VanDerWaalsContact C-N 3.31Å; K4-T6 PolarHBondContact O-N 2.89Å; T6-V8 PolarHBondContact O-N 3.44Å
7S46.8Very low55.1Low117 Ų117144.1 Ų144.182%0.81873%0.731SS**  trans-68.681.1171-179.60000107.6K5 R9K5-S7 PolarHBondContact O-N 3.11Å; K5-S7 VanDerWaalsContact O-N 3.09Å; S7-R9 PolarHBondContact O-N 2.96Å; S7-R9 VanDerWaalsContact O-N 3.11Å
8V50.4Low56.8Low89 Ų89141.3 Ų141.354%0.53972%0.722SS.*  trans-79.192.3176.71620000105.8T6 S10T6-V8 PolarHBondContact O-N 3.44Å; V8-S10 VanDerWaalsContact CG1-N 3.33Å; V8-S10 WeakPolarHBondContact CG1-OG 3.35Å; V8-S10 PolarHBondContact O-N 2.96Å
9R52.1Low58.3Low244 Ų244135.9 Ų135.992%0.92170%0.695SS**  trans-70.467.2148.1-79.3-175.7173.3175.5-1.7106.8S7 Q11S7-R9 PolarHBondContact O-N 2.96Å; S7-R9 VanDerWaalsContact O-N 3.11Å; R9-Q11 PolarHBondContact O-N 3.16Å
10S52.3Low59.8Low83 Ų83133.5 Ų133.558%0.5868%0.683SS**  trans-65.610317236.90000107.2V8 D12V8-S10 VanDerWaalsContact CG1-N 3.33Å; V8-S10 WeakPolarHBondContact CG1-OG 3.35Å; V8-S10 PolarHBondContact O-N 2.96Å; S10-D12 PolarHBondContact O-N 3.02Å
11Q55.4Low61.1Low151 Ų151138 Ų13871%0.70669%0.692SS**  trans-61.3130.2145.6-73.2-175.9-40.500107.1R9R9-Q11 PolarHBondContact O-N 3.16Å
12D58.1Low63.1Low87 Ų87128.8 Ų128.847%0.46565%0.653SS.*  trans-46.1129.8179.9-175.6-89.4000110.2S10 G14 Q15S10-D12 PolarHBondContact O-N 3.02Å; D12-G14 PolarHBondContact O-N 2.94Å; D12-G14 VanDerWaalsContact O-N 3.11Å; D12-G14 WeakPolarHBondContact OD1-CA 3.27Å; D12-G14 PolarHBondContact OD1-N 3.33Å; D12-Q15 HydrophobicContact CB-CB 4.42Å; D12-Q15 HydrophobicContact CB-CG 4.13Å; D12-Q15 PolarHBondContact O-N 3.06Å
13P56.6Low64.9Low103 Ų103123.1 Ų123.167%0.66962%0.621SS**G310 helixtrans-57.9-27-176.722.4-32.4000112.7Q15P13-Q15 VanDerWaalsContact C-N 3.34Å
14G60.4Low66.9Low68 Ų68117.6 Ų117.670%0.70159%0.592SS**G310 helixtrans-73.8-19.5175.700000114.4D12D12-G14 PolarHBondContact O-N 2.94Å; D12-G14 VanDerWaalsContact O-N 3.11Å; D12-G14 WeakPolarHBondContact OD1-CA 3.27Å; D12-G14 PolarHBondContact OD1-N 3.33Å
15Q63.1Low68.6Low148 Ų148113.6 Ų113.669%0.69258%0.576SS**G310 helixtrans-92.82.6178.6-66-175.924.200113.8D12 P13 R17D12-Q15 HydrophobicContact CB-CB 4.42Å; D12-Q15 HydrophobicContact CB-CG 4.13Å; D12-Q15 PolarHBondContact O-N 3.06Å; P13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 3.46Å
16R67.2Low70.6Confident105 Ų105111 Ų11140%0.39656%0.561SS.*  trans-69.8102.6-176.9-73.8-176.7175-156.90.4110.6V18 Q145R16-V18 PolarHBondContact O-N 3.04Å; R16-V18 VanDerWaalsContact O-N 3.16Å; R16-Q145 VanDerWaalsContact NH1-NE2 3.16Å; R16-Q145 VanDerWaalsContact NH2-OE1 3.14Å
17R80.9Confident72.4Confident208 Ų208109.5 Ų109.579%0.78554%0.544SS*.PPolyproline II helixtrans-54.4120.4172.4-68.9-173.3180-152.80.1110Q15Q15-R17 PolarHBondContact O-N 3.46Å
18V85.3Confident74.3Confident94 Ų94107.8 Ų107.857%0.5753%0.525SS*.PPolyproline II helixtrans-91.5116.1172.3174.70000107.9R16 V129R16-V18 PolarHBondContact O-N 3.04Å; R16-V18 VanDerWaalsContact O-N 3.16Å; V18-V129 HydrophobicContact CG1-CG1 4.34Å; V18-V129 WeakPolarHBondContact CG1-O 3.48Å; V18-V129 HydrophobicContact CG2-CG1 4.12Å
19L84.8Confident76.2Confident39 Ų39107.6 Ų107.620%0.20452%0.521CS..PPolyproline II helixtrans-77.3134.9175-63-177.7000110.1A23 R24 S130 L150L19-A23 HydrophobicContact CB-CB 4.14Å; L19-A23 HydrophobicContact CD2-CB 4.09Å; L19-R24 HydrophobicContact CB-CG 3.92Å; L19-R24 PolarHBondContact O-NE 3.09Å; L19-R24 PolarHBondContact O-NH2 2.74Å; L19-R24 VanDerWaalsContact O-NH2 3.13Å; L19-S130 WeakPolarHBondContact CB-O 3.42Å; L19-S130 PolarHBondContact N-O 3.38Å; L19-L150 HydrophobicContact CD1-CD2 3.61Å; L19-L150 HydrophobicContact CG-CD2 4.23Å
20D89.2Confident78Confident87 Ų87104 Ų10447%0.46551%0.507SS..PPolyproline II helixtrans-69.2170.7170.378.4-51.3000111.2A22 A23 R24D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.44Å; D20-A22 VanDerWaalsContact OD2-CB 3.27Å; D20-A22 WeakPolarHBondContact OD2-CB 3.17Å; D20-A22 PolarHBondContact OD2-N 3.41Å; D20-A22 VanDerWaalsContact OD2-N 3.11Å; D20-A23 PolarHBondContact O-N 3.13Å; D20-A23 WeakPolarHBondContact OD1-CB 2.93Å; D20-A23 PolarHBondContact OD1-N 2.9Å; D20-R24 VanDerWaalsContact O-CG 3.28Å; D20-R24 WeakPolarHBondContact O-CG 3.45Å; D20-R24 PolarHBondContact O-N 2.82Å
21R87.9Confident79.6Confident227 Ų227105.9 Ų105.986%0.85751%0.507SS*.Hα-helixtrans-60.3-38.4-178.3-174.6176.3176178.4-2.2112.1R24 Q25R21-R24 PolarHBondContact O-N 2.83Å; R21-Q25 PolarHBondContact O-N 2.94Å
22A89.8Confident81.1Confident43 Ų43103 Ų10336%0.35550%0.496SS..Hα-helixtrans-71.4-41.9-178.700000111.6D20 R24 Q25 R26D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.44Å; D20-A22 VanDerWaalsContact OD2-CB 3.27Å; D20-A22 WeakPolarHBondContact OD2-CB 3.17Å; D20-A22 PolarHBondContact OD2-N 3.41Å; D20-A22 VanDerWaalsContact OD2-N 3.11Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 3.24Å; A22-Q25 PolarHBondContact O-N 3.44Å; A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 2.76Å
23A88.2Confident82.6Confident17 Ų17104.1 Ų104.114%0.1450%0.498CS..Hα-helixtrans-63.2-38.1174.400000112.4L19 D20 Q25 R26 R27L19-A23 HydrophobicContact CB-CB 4.14Å; L19-A23 HydrophobicContact CD2-CB 4.09Å; D20-A23 PolarHBondContact O-N 3.13Å; D20-A23 WeakPolarHBondContact OD1-CB 2.93Å; D20-A23 PolarHBondContact OD1-N 2.9Å; A23-Q25 VanDerWaalsContact C-N 3.35Å; A23-R26 PolarHBondContact O-N 3.11Å; A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 3.01Å
24R88.5Confident84Confident68 Ų68102 Ų10226%0.25749%0.489SS..Hα-helixtrans-60.2-45.6173.7-69173.5-166.9-170.64.9111.4L19 D20 R21 A22 R27 I28 V129L19-R24 HydrophobicContact CB-CG 3.92Å; L19-R24 PolarHBondContact O-NE 3.09Å; L19-R24 PolarHBondContact O-NH2 2.74Å; L19-R24 VanDerWaalsContact O-NH2 3.13Å; D20-R24 VanDerWaalsContact O-CG 3.28Å; D20-R24 WeakPolarHBondContact O-CG 3.45Å; D20-R24 PolarHBondContact O-N 2.82Å; R21-R24 PolarHBondContact O-N 2.83Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 3.24Å; R24-R27 WeakPolarHBondContact O-CB 3.23Å; R24-R27 PolarHBondContact O-N 3.06Å; R24-I28 WeakPolarHBondContact O-CG1 3.4Å; R24-I28 PolarHBondContact O-N 2.68Å; R24-V129 PolarHBondContact NH2-O 2.84Å
25Q88.3Confident85.2Confident100 Ų100103.5 Ų103.547%0.46748%0.48SS..Hα-helixtrans-64-45.6178.7-169.360.744.500112.1R21 A22 A23 R27 I28 N29R21-Q25 PolarHBondContact O-N 2.94Å; A22-Q25 PolarHBondContact O-N 3.44Å; A23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-R27 PolarHBondContact O-N 3.46Å; Q25-I28 PolarHBondContact O-N 3.33Å; Q25-I28 VanDerWaalsContact O-N 3.12Å; Q25-N29 PolarHBondContact NE2-OD1 2.76Å; Q25-N29 PolarHBondContact O-N 3.13Å; Q25-N29 PolarHBondContact O-OD1 3.47Å
26R90.1Very high86.2Confident155 Ų155101 Ų10159%0.58547%0.469SS*.Hα-helixtrans-56.3-39.2175.1-73.6-171.3-66.9-99.10.2111.9A22 A23 N29 R30A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 2.76Å; A23-R26 PolarHBondContact O-N 3.11Å; R26-N29 PolarHBondContact O-N 3.37Å; R26-R30 PolarHBondContact O-N 3.05Å
27R85Confident86.9Confident66 Ų66100.1 Ų100.125%0.24947%0.472CS..Hα-helixtrans-67.3-41.8177.2-171178.1-174.9-133.7-0.3112.4A23 R24 Q25 N29 R30 Q31 T153A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 3.01Å; R24-R27 WeakPolarHBondContact O-CB 3.23Å; R24-R27 PolarHBondContact O-N 3.06Å; Q25-R27 PolarHBondContact O-N 3.46Å; R27-N29 VanDerWaalsContact C-N 3.32Å; R27-R30 PolarHBondContact O-N 3.31Å; R27-Q31 WeakPolarHBondContact O-CB 3.4Å; R27-Q31 PolarHBondContact O-N 3.27Å; R27-T153 VanDerWaalsContact NE-CG2 3.3Å
28I87.4Confident86.9Confident82 Ų8295.1 Ų95.142%0.42146%0.461SS..Hα-helixtrans-59.5-47.5175.3-68.2166.3000109.5R24 Q25 R30 Q31 L32R24-I28 WeakPolarHBondContact O-CG1 3.4Å; R24-I28 PolarHBondContact O-N 2.68Å; Q25-I28 PolarHBondContact O-N 3.33Å; Q25-I28 VanDerWaalsContact O-N 3.12Å; I28-R30 PolarHBondContact O-N 2.99Å; I28-Q31 WeakPolarHBondContact O-CB 3.42Å; I28-Q31 PolarHBondContact O-N 3.12Å; I28-Q31 VanDerWaalsContact O-N 3.13Å; I28-L32 HydrophobicContact CG2-CD1 4.19Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.26Å
29N90.4Very high86.4Confident84 Ų8494.3 Ų94.345%0.44945%0.453SS..Hα-helixtrans-61.4-44.5179.5-65.66000111.8Q25 R26 R27 Q31 L32 E33Q25-N29 PolarHBondContact NE2-OD1 2.76Å; Q25-N29 PolarHBondContact O-N 3.13Å; Q25-N29 PolarHBondContact O-OD1 3.47Å; R26-N29 PolarHBondContact O-N 3.37Å; R27-N29 VanDerWaalsContact C-N 3.32Å; N29-Q31 VanDerWaalsContact C-N 3.28Å; N29-Q31 PolarHBondContact O-N 3Å; N29-L32 PolarHBondContact O-N 3.11Å; N29-E33 PolarHBondContact O-N 3.47Å
30R89.5Confident85.6Confident170 Ų17096.4 Ų96.464%0.64246%0.461SS*.Hα-helixtrans-60.9-37.8174.8-176.8178.4-68.2-157-2.7112.4R26 R27 I28 A34R26-R30 PolarHBondContact O-N 3.05Å; R27-R30 PolarHBondContact O-N 3.31Å; I28-R30 PolarHBondContact O-N 2.99Å; R30-A34 WeakPolarHBondContact O-CB 3.44Å; R30-A34 PolarHBondContact O-N 2.96Å
31Q85.8Confident84.6Confident121 Ų12198.6 Ų98.657%0.56547%0.468SS*.Hα-helixtrans-67.1-39.6176.8-175.5175.75.700111.5R27 I28 N29 A34 L35R27-Q31 WeakPolarHBondContact O-CB 3.4Å; R27-Q31 PolarHBondContact O-N 3.27Å; I28-Q31 WeakPolarHBondContact O-CB 3.42Å; I28-Q31 PolarHBondContact O-N 3.12Å; I28-Q31 VanDerWaalsContact O-N 3.13Å; N29-Q31 VanDerWaalsContact C-N 3.28Å; N29-Q31 PolarHBondContact O-N 3Å; Q31-A34 PolarHBondContact O-N 3.38Å; Q31-L35 WeakPolarHBondContact O-CG 3.25Å; Q31-L35 PolarHBondContact O-N 3.45Å
32L87.3Confident83.5Confident91 Ų9192.7 Ų92.748%0.47645%0.454SS..Hα-helixtrans-63.8-45.9175.1-68.4173.1000111.1I28 N29 A34 L35 E36I28-L32 HydrophobicContact CG2-CD1 4.19Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.26Å; N29-L32 PolarHBondContact O-N 3.11Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3Å; L32-L35 WeakPolarHBondContact O-CB 3.37Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-L35 VanDerWaalsContact O-N 3.11Å; L32-E36 WeakPolarHBondContact O-CG 3.38Å; L32-E36 PolarHBondContact O-N 3.33Å
33E88.4Confident82.4Confident111 Ų11193.6 Ų93.652%0.51945%0.453SS..Hα-helixtrans-58.9-41.7175.1-177.4-176.9-170.100112.1N29 L35 E36 N37N29-E33 PolarHBondContact O-N 3.47Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.85Å; E33-E36 PolarHBondContact O-N 3.07Å; E33-N37 WeakPolarHBondContact O-CB 3.46Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.34Å; E33-N37 PolarHBondContact O-ND2 3.3Å
34A86.7Confident81.3Confident57 Ų5798.4 Ų98.447%0.47148%0.483SS..Hα-helixtrans-63-40.1175.400000112.4R30 Q31 L32 N37 D38R30-A34 WeakPolarHBondContact O-CB 3.44Å; R30-A34 PolarHBondContact O-N 2.96Å; Q31-A34 PolarHBondContact O-N 3.38Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3Å; A34-N37 PolarHBondContact O-N 3.44Å; A34-D38 PolarHBondContact O-N 3.4Å
35L85.9Confident80.3Confident100 Ų100101.2 Ų101.252%0.52450%0.498SS..Hα-helixtrans-68.4-34.8175.4-69.5171.8000112.1Q31 L32 E33 D38 N39Q31-L35 WeakPolarHBondContact O-CG 3.25Å; Q31-L35 PolarHBondContact O-N 3.45Å; L32-L35 WeakPolarHBondContact O-CB 3.37Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-L35 VanDerWaalsContact O-N 3.11Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.85Å; L35-D38 PolarHBondContact O-N 2.93Å; L35-N39 PolarHBondContact O-ND2 3.13Å
36E82.8Confident79.1Confident95 Ų9598.2 Ų98.244%0.44449%0.491SS..Hα-helixtrans-65.5-41.4174.3-73.9172.9179.300111.4L32 E33 N39L32-E36 WeakPolarHBondContact O-CG 3.38Å; L32-E36 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.07Å; E36-N39 PolarHBondContact O-ND2 2.88Å; E36-N39 VanDerWaalsContact O-ND2 3.07Å
37N82.2Confident77.9Confident87 Ų8794.4 Ų94.447%0.46550%0.5SS..Hα-helixtrans-71.3-27.7178.1-71.4-30000113.5E33 A34 N39 F40E33-N37 WeakPolarHBondContact O-CB 3.46Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.34Å; E33-N37 PolarHBondContact O-ND2 3.3Å; A34-N37 PolarHBondContact O-N 3.44Å; N37-N39 PolarHBondContact O-N 2.77Å; N37-F40 PolarHBondContact O-N 3.04Å; N37-F40 VanDerWaalsContact O-N 3.17Å
38D80.5Confident76.9Confident103 Ų10396.1 Ų96.155%0.55151%0.513SS*.Hα-helixtrans-64.5-25.5178.6-161.248.3000112.5A34 L35 F40 Q41A34-D38 PolarHBondContact O-N 3.4Å; L35-D38 PolarHBondContact O-N 2.93Å; D38-F40 PolarHBondContact O-N 3.46Å; D38-F40 VanDerWaalsContact O-N 3.17Å; D38-Q41 WeakPolarHBondContact O-CG 3.36Å; D38-Q41 PolarHBondContact O-N 3.37Å
39N75Confident75.8Confident77 Ų7797.3 Ų97.341%0.41253%0.527SS..THydrogen-bonded Turntrans-59.9-27.5175.2-63.4-52.5000112.7L35 E36 N37 Q41 F80L35-N39 PolarHBondContact O-ND2 3.13Å; E36-N39 PolarHBondContact O-ND2 2.88Å; E36-N39 VanDerWaalsContact O-ND2 3.07Å; N37-N39 PolarHBondContact O-N 2.77Å; N39-Q41 VanDerWaalsContact C-N 3.29Å; N39-Q41 PolarHBondContact O-N 3.48Å; N39-F80 CarbonylContact C-O 3.6Å; N39-F80 WeakPolarHBondContact CB-O 3.27Å; N39-F80 CarbonylContact O-C 3.54Å
40F69Low74.3Confident83 Ų83102.5 Ų102.536%0.36455%0.548SS..THydrogen-bonded Turntrans-81-2.9-178.1-64.6-89.4000114.5N37 D38 R81 N83N37-F40 PolarHBondContact O-N 3.04Å; N37-F40 VanDerWaalsContact O-N 3.17Å; D38-F40 PolarHBondContact O-N 3.46Å; D38-F40 VanDerWaalsContact O-N 3.17Å; F40-R81 WeakPolarHBondContact CD1-O 3.44Å; F40-R81 WeakPolarHBondContact CE1-O 3.36Å; F40-N83 HydrophobicContact CE2-CB 3.87Å; F40-N83 HydrophobicContact CZ-CB 3.67Å
41Q68Low72.7Confident133 Ų133100.2 Ų100.262%0.62155%0.548SS*.SBendtrans-65.3138.3176.8-63.4-62-40.600110.4D38 N39 D43D38-Q41 WeakPolarHBondContact O-CG 3.36Å; D38-Q41 PolarHBondContact O-N 3.37Å; N39-Q41 VanDerWaalsContact C-N 3.29Å; N39-Q41 PolarHBondContact O-N 3.48Å; Q41-D43 PolarHBondContact O-N 2.89Å
42D64.4Low71.3Confident104 Ų10498 Ų9856%0.55656%0.557SS**PPolyproline II helixtrans-60.8128.1171.6-76.5-52.6000109.1P44 R81D42-P44 WeakPolarHBondContact O-CD 3.34Å; D42-R81 IonicContact OD1-CZ 3.23Å; D42-R81 VanDerWaalsContact OD1-CZ 3.23Å; D42-R81 IonicContact OD1-NH1 2.72Å; D42-R81 PolarHBondContact OD1-NH1 2.88Å; D42-R81 IonicContact OD1-NH2 2.82Å; D42-R81 PolarHBondContact OD1-NH2 3.11Å
43D66.1Low69.9Low62 Ų62101.8 Ų101.833%0.33257%0.57SS.*PPolyproline II helixtrans-53.8116.5173.1167.315000108.2Q41 H45 A46Q41-D43 PolarHBondContact O-N 2.89Å; D43-H45 PolarHBondContact O-N 3.09Å; D43-H45 WeakPolarHBondContact OD1-CA 3.45Å; D43-H45 VanDerWaalsContact OD1-CB 3.31Å; D43-H45 WeakPolarHBondContact OD1-CB 3.47Å; D43-H45 IonicContact OD1-CD2 2.84Å; D43-H45 PolarHBondContact OD1-CD2 3.37Å; D43-H45 IonicContact OD1-CG 3.78Å; D43-H45 PolarHBondContact OD1-N 2.73Å; D43-A46 HydrophobicContact CB-CB 4.03Å; D43-A46 WeakPolarHBondContact O-CB 3.26Å; D43-A46 PolarHBondContact O-N 2.86Å
44P65.4Low68.3Low118 Ų118107.5 Ų107.577%0.76659%0.587SS**THydrogen-bonded Turntrans-57.4-22.2-179-23.132.5000112.5D42D42-P44 WeakPolarHBondContact O-CD 3.34Å
45H67.3Low67Low126 Ų126112.4 Ų112.458%0.58360%0.604SS**THydrogen-bonded Turntrans-93.4-3.6179-55.3-81.2000113.4D43 G47 L48D43-H45 PolarHBondContact O-N 3.09Å; D43-H45 WeakPolarHBondContact OD1-CA 3.45Å; D43-H45 VanDerWaalsContact OD1-CB 3.31Å; D43-H45 WeakPolarHBondContact OD1-CB 3.47Å; D43-H45 IonicContact OD1-CD2 2.84Å; D43-H45 PolarHBondContact OD1-CD2 3.37Å; D43-H45 IonicContact OD1-CG 3.78Å; D43-H45 PolarHBondContact OD1-N 2.73Å; H45-G47 PolarHBondContact O-N 2.92Å; H45-G47 VanDerWaalsContact O-N 3.14Å; H45-L48 PolarHBondContact O-N 3.49Å
46A64.7Low66Low38 Ų38112.2 Ų112.231%0.31461%0.609SS.*THydrogen-bonded Turntrans-59.7-29.1-175.900000114D43 K77D43-A46 HydrophobicContact CB-CB 4.03Å; D43-A46 WeakPolarHBondContact O-CB 3.26Å; D43-A46 PolarHBondContact O-N 2.86Å; A46-K77 HydrophobicContact CB-CD 4.48Å; A46-K77 PolarHBondContact O-NZ 3.38Å
47G65.3Low64.9Low75 Ų75115.7 Ų115.777%0.77363%0.625SS**THydrogen-bonded Turntrans-102.1-4.5175.500000114.3H45H45-G47 PolarHBondContact O-N 2.92Å; H45-G47 VanDerWaalsContact O-N 3.14Å
48L62.4Low63.6Low102 Ų102119.5 Ų119.553%0.53464%0.638SS.*SBendtrans-79.9131.6178.9-146.476.2000108.5H45 Q50H45-L48 PolarHBondContact O-N 3.49Å; L48-Q50 PolarHBondContact O-N 3.36Å
49P65Low62.1Low107 Ų107120.3 Ų120.370%0.69564%0.642SS**  trans-52121.5172.4-23.531.7000108.6L51P49-L51 PolarHBondContact O-N 3.01Å
50Q58.6Low61.1Low192 Ų192122.6 Ų122.690%0.89765%0.654SS**  trans-49.7103.4179.8-161.9162.8-1.900107.7L48 G52L48-Q50 PolarHBondContact O-N 3.36Å; Q50-G52 PolarHBondContact O-N 3.38Å
51L56.2Low59.8Low123 Ų123126.2 Ų126.264%0.64468%0.677SS**  trans-76.172.7-172.9-134.2159.3000106.6P49 K53P49-L51 PolarHBondContact O-N 3.01Å; L51-K53 HydrophobicContact CD2-CG 4.22Å; L51-K53 PolarHBondContact O-N 2.97Å
52G56.6Low58.7Low74 Ų74123.6 Ų123.676%0.76368%0.679SS**THydrogen-bonded Turntrans-7448.2-162.600000114.6Q50Q50-G52 PolarHBondContact O-N 3.38Å
53K57.6Low57.5Low171 Ų171125.6 Ų125.674%0.74369%0.69SS**THydrogen-bonded Turntrans-140.64.1176.938.7175.9177.5-100.50116L51L51-K53 HydrophobicContact CD2-CG 4.22Å; L51-K53 PolarHBondContact O-N 2.97Å
54R54.2Low56.3Low231 Ų231128.6 Ų128.687%0.87271%0.71SS**SBendtrans-139.60.8-178.6-71.5-70.5-146.1-122.7-1.8116.3
55L60.6Low55Low160 Ų160126.3 Ų126.384%0.83871%0.708SS**SBendtrans-96.2132.4173.2-120.170.5000109.7Q57L55-Q57 PolarHBondContact O-N 3.15Å; L55-Q57 VanDerWaalsContact O-N 3.13Å
56P64.4Low53.6Low96 Ų96130.1 Ų130.162%0.62372%0.723SS**  trans-52.4120.5169.8-24.934.3000109.6F58P56-F58 HydrophobicContact CB-CE2 4.09Å; P56-F58 WeakPolarHBondContact O-CD2 3.46Å; P56-F58 PolarHBondContact O-N 2.92Å
57Q59.8Low52.4Low167 Ų167138.5 Ų138.578%0.7875%0.753SS**  trans-78.5104.7172-164.5174.9-29.400105.9L55 D59L55-Q57 PolarHBondContact O-N 3.15Å; L55-Q57 VanDerWaalsContact O-N 3.13Å; Q57-D59 PolarHBondContact O-N 3.22Å
58F54.4Low51.1Low168 Ų168143 Ų14374%0.73775%0.751SS**  trans-74.2104.8168.1-67.5-97000106.1P56 D60P56-F58 HydrophobicContact CB-CE2 4.09Å; P56-F58 WeakPolarHBondContact O-CD2 3.46Å; P56-F58 PolarHBondContact O-N 2.92Å; F58-D60 PolarHBondContact O-N 2.97Å
59D49.6Very low50.2Low119 Ų119148.6 Ų148.664%0.63677%0.771SS**  trans-63.9115.4166.7-94.2-69.1000107.5Q57 D61Q57-D59 PolarHBondContact O-N 3.22Å; D59-D61 PolarHBondContact O-N 3.49Å
60D52.7Low49.2Very low125 Ų125150.8 Ų150.867%0.66877%0.769SS**  trans-87.490.9168.5-139.3-64.2000103.6F58 A62F58-D60 PolarHBondContact O-N 2.97Å; D60-A62 PolarHBondContact O-N 3.47Å
61D42.1Very low48.4Very low159 Ų159146.8 Ų146.885%0.8576%0.758SS**  trans-6867.1171.9-82.1-65.6000109.3D59D59-D61 PolarHBondContact O-N 3.49Å
62A45.4Very low48.1Very low78 Ų78150 Ų15065%0.64576%0.762SS**  trans-11086.1159.800000106.5D60 T64D60-A62 PolarHBondContact O-N 3.47Å; A62-T64 PolarHBondContact O-N 3.46Å
63D38.8Very low47.7Very low147 Ų147148.2 Ų148.279%0.78674%0.743SS**  trans-46.5121.2168.1-172.9-91.8000110.5
64T40.4Very low47.3Very low124 Ų124144.5 Ų144.576%0.76173%0.732SS**  trans173.6111.5131.4320000110.7A62A62-T64 PolarHBondContact O-N 3.46Å
65G38.2Very low47.1Very low71 Ų71139.1 Ų139.173%0.73272%0.716SS**  trans58.4115.813200000120.2
66K38.8Very low46.6Very low205 Ų205137.3 Ų137.389%0.89170%0.702SS**  trans81.594.1149.3-54.7178.8-177.41770116.8K68K66-K68 PolarHBondContact O-N 2.88Å
67K39.5Very low46.1Very low215 Ų215136.4 Ų136.494%0.93569%0.688SS**  trans10.895.9141.6-63.9-171.5179.6-179.30115.4
68K37.2Very low45.9Very low168 Ų168132.5 Ų132.573%0.7367%0.672SS**  trans-153.1114.6140.1-134.7174.3-169.2-179.70107K66 K70K66-K68 PolarHBondContact O-N 2.88Å; K68-K70 HydrophobicContact CB-CG 4.04Å; K68-K70 HydrophobicContact CD-CG 4.42Å; K68-K70 HydrophobicContact CG-CG 4.32Å; K68-K70 PolarHBondContact O-N 2.9Å
69K44.1Very low45.9Very low221 Ų221132.3 Ų132.396%0.96167%0.666SS**  trans-64.263.6170.3-170.4179.6-178.5-179.40108.3T71K69-T71 PolarHBondContact O-N 3.07Å
70K43.3Very low46.4Very low153 Ų153131.7 Ų131.767%0.66566%0.658SS**  trans-81.599.5171.8-68.2-169.6-175.5-176.70105.2K68 R72K68-K70 HydrophobicContact CB-CG 4.04Å; K68-K70 HydrophobicContact CD-CG 4.42Å; K68-K70 HydrophobicContact CG-CG 4.32Å; K68-K70 PolarHBondContact O-N 2.9Å; K70-R72 PolarHBondContact O-N 3.39Å
71T43.2Very low47.1Very low107 Ų107131.2 Ų131.266%0.65665%0.647SS**  trans24.759.2140.749.10000115.6K69 G73 D74K69-T71 PolarHBondContact O-N 3.07Å; T71-G73 PolarHBondContact O-N 3.13Å; T71-D74 PolarHBondContact O-N 3.18Å
72R49.9Very low48.6Very low191 Ų191126.3 Ų126.372%0.72162%0.618SS**Hα-helixtrans-61.6-12.7169.8-161.5-179.1127.3145.70.1111.2K70K70-R72 PolarHBondContact O-N 3.39Å
73G47.5Very low50.2Low37 Ų37125.3 Ų125.338%0.38160%0.602SS.*Hα-helixtrans-69.5-25.7172.200000114.7T71 K77T71-G73 PolarHBondContact O-N 3.13Å; G73-K77 VanDerWaalsContact O-CB 3.27Å; G73-K77 WeakPolarHBondContact O-CB 3.49Å; G73-K77 WeakPolarHBondContact O-CD 3.48Å; G73-K77 WeakPolarHBondContact O-CG 3.28Å; G73-K77 PolarHBondContact O-N 3.22Å; G73-K77 VanDerWaalsContact O-N 3.08Å
74D49.3Very low52.2Low93 Ų93122.7 Ų122.750%0.49758%0.584SS.*Hα-helixtrans-79.7-41-173.8-125.6-16.5000112.1T71 F76 K77 L78T71-D74 PolarHBondContact O-N 3.18Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.94Å; D74-K77 PolarHBondContact O-N 2.94Å; D74-L78 WeakPolarHBondContact O-CB 3.49Å; D74-L78 WeakPolarHBondContact O-CD1 3.42Å; D74-L78 PolarHBondContact O-N 2.95Å
75H50.6Low54.3Low117 Ų117121.6 Ų121.654%0.54257%0.57SS.*Hα-helixtrans-72-26.9179.2-148.7-82.9000112.9R79H75-R79 PolarHBondContact CE1-NH2 3.07Å; H75-R79 VanDerWaalsContact CE1-NH2 3.26Å; H75-R79 PolarHBondContact ND1-NH1 2.63Å; H75-R79 VanDerWaalsContact O-CG 3.31Å; H75-R79 WeakPolarHBondContact O-CG 3.48Å; H75-R79 PolarHBondContact O-N 3.26Å
76F50.4Low56.6Low122 Ų122119.6 Ų119.654%0.53555%0.547SS..Hα-helixtrans-71.8-49.3170.1-168.1-105.1000109.6D74 L78 R79 F80D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.94Å; F76-L78 PolarHBondContact O-N 3.4Å; F76-R79 PolarHBondContact O-N 2.94Å; F76-F80 HydrophobicContact CD1-CD2 4.32Å; F76-F80 AromaticContact CD1-CE2 3.64Å; F76-F80 HydrophobicContact CD1-CE2 3.64Å; F76-F80 AromaticContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CZ 4.32Å; F76-F80 HydrophobicContact CE1-CD2 4.32Å; F76-F80 AromaticContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CE2 3.43Å; F76-F80 VanDerWaalsContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CZ 4.06Å; F76-F80 AromaticContact CE2-CE2 3.58Å; F76-F80 HydrophobicContact CE2-CE2 3.58Å; F76-F80 AromaticContact CE2-CZ 3.73Å; F76-F80 HydrophobicContact CE2-CZ 3.73Å; F76-F80 AromaticContact CG-CE2 3.81Å; F76-F80 HydrophobicContact CG-CE2 3.81Å; F76-F80 AromaticContact CZ-CE2 3.4Å; F76-F80 HydrophobicContact CZ-CE2 3.4Å; F76-F80 VanDerWaalsContact CZ-CE2 3.4Å; F76-F80 AromaticContact CZ-CZ 3.58Å; F76-F80 HydrophobicContact CZ-CZ 3.58Å; F76-F80 WeakPolarHBondContact O-CD2 3.23Å; F76-F80 VanDerWaalsContact O-CE2 3.25Å; F76-F80 WeakPolarHBondContact O-CE2 3.45Å
77K53.6Low58.7Low77 Ų77113.3 Ų113.334%0.33552%0.522SS..Hα-helixtrans-64.4-38.1179.7-72172.2-178-170.30113.8A46 G73 D74 R81A46-K77 HydrophobicContact CB-CD 4.48Å; A46-K77 PolarHBondContact O-NZ 3.38Å; G73-K77 VanDerWaalsContact O-CB 3.27Å; G73-K77 WeakPolarHBondContact O-CB 3.49Å; G73-K77 WeakPolarHBondContact O-CD 3.48Å; G73-K77 WeakPolarHBondContact O-CG 3.28Å; G73-K77 PolarHBondContact O-N 3.22Å; G73-K77 VanDerWaalsContact O-N 3.08Å; D74-K77 PolarHBondContact O-N 2.94Å; K77-R81 WeakPolarHBondContact O-CD 3.36Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.46Å
78L54.4Low60.9Low85 Ų85105 Ų10545%0.44549%0.488SS..Hα-helixtrans-70.6-34.7178.4-102.593.6000113D74 F76 F80 R81D74-L78 WeakPolarHBondContact O-CB 3.49Å; D74-L78 WeakPolarHBondContact O-CD1 3.42Å; D74-L78 PolarHBondContact O-N 2.95Å; F76-L78 PolarHBondContact O-N 3.4Å; L78-F80 PolarHBondContact O-N 3.21Å; L78-R81 PolarHBondContact O-N 3.47Å; L78-R81 VanDerWaalsContact O-N 3.08Å
79R55.6Low63.3Low165 Ų165101.9 Ų101.962%0.62348%0.476SS*.Hα-helixtrans-63.2-30.9-179.8-85.1-179.1170.4136-2.2112.9H75 F76H75-R79 PolarHBondContact CE1-NH2 3.07Å; H75-R79 VanDerWaalsContact CE1-NH2 3.26Å; H75-R79 PolarHBondContact ND1-NH1 2.63Å; H75-R79 VanDerWaalsContact O-CG 3.31Å; H75-R79 WeakPolarHBondContact O-CG 3.48Å; H75-R79 PolarHBondContact O-N 3.26Å; F76-R79 PolarHBondContact O-N 2.94Å
80F59Low65.2Low105 Ų10596 Ų9646%0.46145%0.452SS..Hα-helixtrans-78-20.5175.7-63-72.8000112.9N39 F76 L78 K82N39-F80 CarbonylContact C-O 3.6Å; N39-F80 WeakPolarHBondContact CB-O 3.27Å; N39-F80 CarbonylContact O-C 3.54Å; F76-F80 HydrophobicContact CD1-CD2 4.32Å; F76-F80 AromaticContact CD1-CE2 3.64Å; F76-F80 HydrophobicContact CD1-CE2 3.64Å; F76-F80 AromaticContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CZ 4.32Å; F76-F80 HydrophobicContact CE1-CD2 4.32Å; F76-F80 AromaticContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CE2 3.43Å; F76-F80 VanDerWaalsContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CZ 4.06Å; F76-F80 AromaticContact CE2-CE2 3.58Å; F76-F80 HydrophobicContact CE2-CE2 3.58Å; F76-F80 AromaticContact CE2-CZ 3.73Å; F76-F80 HydrophobicContact CE2-CZ 3.73Å; F76-F80 AromaticContact CG-CE2 3.81Å; F76-F80 HydrophobicContact CG-CE2 3.81Å; F76-F80 AromaticContact CZ-CE2 3.4Å; F76-F80 HydrophobicContact CZ-CE2 3.4Å; F76-F80 VanDerWaalsContact CZ-CE2 3.4Å; F76-F80 AromaticContact CZ-CZ 3.58Å; F76-F80 HydrophobicContact CZ-CZ 3.58Å; F76-F80 WeakPolarHBondContact O-CD2 3.23Å; F76-F80 VanDerWaalsContact O-CE2 3.25Å; F76-F80 WeakPolarHBondContact O-CE2 3.45Å; L78-F80 PolarHBondContact O-N 3.21Å; F80-K82 PolarHBondContact O-N 3.05Å
81R67.5Low67.1Low115 Ų11593.6 Ų93.643%0.43444%0.443SS..THydrogen-bonded Turntrans-91.27.7-171.6-64.5174.199.993.92.7114.8F40 D42 K77 L78F40-R81 WeakPolarHBondContact CD1-O 3.44Å; F40-R81 WeakPolarHBondContact CE1-O 3.36Å; D42-R81 IonicContact OD1-CZ 3.23Å; D42-R81 VanDerWaalsContact OD1-CZ 3.23Å; D42-R81 IonicContact OD1-NH1 2.72Å; D42-R81 PolarHBondContact OD1-NH1 2.88Å; D42-R81 IonicContact OD1-NH2 2.82Å; D42-R81 PolarHBondContact OD1-NH2 3.11Å; K77-R81 WeakPolarHBondContact O-CD 3.36Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.46Å; L78-R81 PolarHBondContact O-N 3.47Å; L78-R81 VanDerWaalsContact O-N 3.08Å
82K73Confident68.9Low57 Ų5794.9 Ų94.925%0.24845%0.446CS..  trans-110.5130.3179.8-64.6-171.7-174.3-1730109.3F80 A86 L87 E90F80-K82 PolarHBondContact O-N 3.05Å; K82-A86 HydrophobicContact CB-CB 4.14Å; K82-A86 HydrophobicContact CG-CB 4.49Å; K82-L87 HydrophobicContact CB-CD2 3.95Å; K82-L87 HydrophobicContact CB-CG 3.94Å; K82-L87 HydrophobicContact CD-CD2 3.97Å; K82-E90 IonicContact NZ-OE1 2.62Å; K82-E90 PolarHBondContact NZ-OE1 3.02Å; K82-E90 IonicContact NZ-OE2 3.48Å; K82-E90 PolarHBondContact NZ-OE2 2.87Å
83N79.9Confident70.4Confident56 Ų5692.6 Ų92.630%0.29945%0.447SS..  trans-68.7166.6165.962.137.8000109.9F40 Q85 A86 L87F40-N83 HydrophobicContact CE2-CB 3.87Å; F40-N83 HydrophobicContact CZ-CB 3.67Å; N83-Q85 PolarHBondContact O-N 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.07Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.42Å; N83-Q85 PolarHBondContact OD1-N 2.99Å; N83-Q85 VanDerWaalsContact OD1-N 3.16Å; N83-A86 PolarHBondContact O-N 2.9Å; N83-A86 WeakPolarHBondContact OD1-CB 3.47Å; N83-A86 PolarHBondContact OD1-N 3.47Å; N83-L87 PolarHBondContact O-N 3.4Å; N83-L87 VanDerWaalsContact O-N 3.16Å
84F81.5Confident72Confident92 Ų9293.2 Ų93.240%0.40445%0.446SS..Hα-helixtrans-54.6-39.7178.3175.7-110.1000112.5L87 L88 Y101F84-L87 PolarHBondContact O-N 3.38Å; F84-L88 HydrophobicContact CD1-CD1 4.19Å; F84-L88 HydrophobicContact CE1-CD1 3.54Å; F84-L88 HydrophobicContact CE1-CG 4.2Å; F84-L88 HydrophobicContact CE2-CD1 4.44Å; F84-L88 HydrophobicContact CE2-CD2 4.3Å; F84-L88 HydrophobicContact CE2-CG 4.28Å; F84-L88 HydrophobicContact CZ-CD1 3.66Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 3.97Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.11Å; F84-Y101 HydrophobicContact CE2-CD2 4.08Å; F84-Y101 HydrophobicContact CE2-CE1 4.2Å; F84-Y101 AromaticContact CE2-CE2 3.59Å; F84-Y101 HydrophobicContact CE2-CE2 3.59Å; F84-Y101 AromaticContact CE2-CZ 3.66Å; F84-Y101 HydrophobicContact CZ-CD1 4.17Å; F84-Y101 HydrophobicContact CZ-CD2 4.38Å; F84-Y101 AromaticContact CZ-CE1 3.55Å; F84-Y101 HydrophobicContact CZ-CE1 3.55Å; F84-Y101 AromaticContact CZ-CE2 3.78Å; F84-Y101 HydrophobicContact CZ-CE2 3.78Å; F84-Y101 AromaticContact CZ-CZ 3.31Å; F84-Y101 WeakPolarHBondContact CZ-OH 3.32Å
85Q84.7Confident73.2Confident102 Ų10295.6 Ų95.648%0.47746%0.463SS..Hα-helixtrans-63.3-43.7178.8-178.16222.700112.9N83 L87 L88 E89N83-Q85 PolarHBondContact O-N 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.07Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.42Å; N83-Q85 PolarHBondContact OD1-N 2.99Å; N83-Q85 VanDerWaalsContact OD1-N 3.16Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.22Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.18Å; Q85-L88 VanDerWaalsContact O-N 3.14Å; Q85-E89 PolarHBondContact NE2-OE1 3.36Å; Q85-E89 VanDerWaalsContact NE2-OE1 3.07Å; Q85-E89 WeakPolarHBondContact O-CG 3.45Å; Q85-E89 PolarHBondContact O-N 2.78Å
86A84.7Confident74.5Confident29 Ų2993.4 Ų93.424%0.2447%0.465CS..Hα-helixtrans-67.3-33.4178.800000111.8K82 N83 E89 E90K82-A86 HydrophobicContact CB-CB 4.14Å; K82-A86 HydrophobicContact CG-CB 4.49Å; N83-A86 PolarHBondContact O-N 2.9Å; N83-A86 WeakPolarHBondContact OD1-CB 3.47Å; N83-A86 PolarHBondContact OD1-N 3.47Å; A86-E89 PolarHBondContact O-N 3.48Å; A86-E90 WeakPolarHBondContact O-CB 3.27Å; A86-E90 PolarHBondContact O-N 3.37Å
87L84.4Confident75.7Confident73 Ų7397.2 Ų97.238%0.38249%0.485SS..Hα-helixtrans-66.6-37.2172.1-69.3173.5000111.9K82 N83 F84 Q85 Q91K82-L87 HydrophobicContact CB-CD2 3.95Å; K82-L87 HydrophobicContact CB-CG 3.94Å; K82-L87 HydrophobicContact CD-CD2 3.97Å; N83-L87 PolarHBondContact O-N 3.4Å; N83-L87 VanDerWaalsContact O-N 3.16Å; F84-L87 PolarHBondContact O-N 3.38Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.22Å; L87-Q91 WeakPolarHBondContact O-CB 3.41Å; L87-Q91 PolarHBondContact O-N 3.07Å; L87-Q91 VanDerWaalsContact O-N 3.13Å
88L86.1Confident77.1Confident40 Ų4095.7 Ų95.721%0.20949%0.491CS..Hα-helixtrans-66.8-43.5174.4-69.6-179.7000111.9F84 Q85 Q91 N92 Y101F84-L88 HydrophobicContact CD1-CD1 4.19Å; F84-L88 HydrophobicContact CE1-CD1 3.54Å; F84-L88 HydrophobicContact CE1-CG 4.2Å; F84-L88 HydrophobicContact CE2-CD1 4.44Å; F84-L88 HydrophobicContact CE2-CD2 4.3Å; F84-L88 HydrophobicContact CE2-CG 4.28Å; F84-L88 HydrophobicContact CZ-CD1 3.66Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 3.97Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.11Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.18Å; Q85-L88 VanDerWaalsContact O-N 3.14Å; L88-Q91 PolarHBondContact O-N 3.35Å; L88-N92 WeakPolarHBondContact O-CB 3.48Å; L88-N92 PolarHBondContact O-N 3.17Å; L88-Y101 HydrophobicContact CD2-CD1 3.51Å; L88-Y101 HydrophobicContact CD2-CD2 4.48Å; L88-Y101 HydrophobicContact CD2-CE1 4.29Å; L88-Y101 HydrophobicContact CD2-CG 3.64Å
89E86.5Confident78.4Confident103 Ų10397.5 Ų97.548%0.48151%0.507SS..Hα-helixtrans-62.9-44.1178.2-73.5168.8-167.900111.9Q85 A86 Q91 N92 L93Q85-E89 PolarHBondContact NE2-OE1 3.36Å; Q85-E89 VanDerWaalsContact NE2-OE1 3.07Å; Q85-E89 WeakPolarHBondContact O-CG 3.45Å; Q85-E89 PolarHBondContact O-N 2.78Å; A86-E89 PolarHBondContact O-N 3.48Å; E89-Q91 PolarHBondContact O-N 3.49Å; E89-N92 PolarHBondContact O-N 3.17Å; E89-L93 WeakPolarHBondContact O-CB 3.47Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 3.29Å
90E84.6Confident79.8Confident97 Ų9792.4 Ų92.445%0.45349%0.493SS..Hα-helixtrans-61.5-43.9175.9178174.9-144.100112.3K82 A86 L93 S94K82-E90 IonicContact NZ-OE1 2.62Å; K82-E90 PolarHBondContact NZ-OE1 3.02Å; K82-E90 IonicContact NZ-OE2 3.48Å; K82-E90 PolarHBondContact NZ-OE2 2.87Å; A86-E90 WeakPolarHBondContact O-CB 3.27Å; A86-E90 PolarHBondContact O-N 3.37Å; E90-L93 PolarHBondContact O-N 3.19Å; E90-S94 PolarHBondContact O-N 3.05Å
91Q82.7Confident81Confident102 Ų10293.3 Ų93.348%0.47749%0.494SS..Hα-helixtrans-63.8-41.4175.4-86.7-77.20.600111.8L87 L88 E89 L93 S94L87-Q91 WeakPolarHBondContact O-CB 3.41Å; L87-Q91 PolarHBondContact O-N 3.07Å; L87-Q91 VanDerWaalsContact O-N 3.13Å; L88-Q91 PolarHBondContact O-N 3.35Å; E89-Q91 PolarHBondContact O-N 3.49Å; Q91-L93 VanDerWaalsContact C-N 3.29Å; Q91-L93 PolarHBondContact O-N 3.39Å; Q91-S94 WeakPolarHBondContact O-CB 3.41Å; Q91-S94 PolarHBondContact O-N 3.31Å; Q91-S94 PolarHBondContact O-OG 3.4Å; Q91-S94 PolarHBondContact OE1-OG 3.13Å
92N81.3Confident81.7Confident134 Ų13493.4 Ų93.472%0.71750%0.503SS*.Hα-helixtrans-67.5-29.5178.3-167.972.5000113L88 E89 S94L88-N92 WeakPolarHBondContact O-CB 3.48Å; L88-N92 PolarHBondContact O-N 3.17Å; E89-N92 PolarHBondContact O-N 3.17Å; N92-S94 VanDerWaalsContact C-N 3.33Å
93L82.1Confident82.2Confident143 Ų14395.3 Ų95.375%0.74952%0.519SS*.Hα-helixtrans-79.7-16.8172-69.9168.3000112.8E89 E90 Q91E89-L93 WeakPolarHBondContact O-CB 3.47Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 3.29Å; E90-L93 PolarHBondContact O-N 3.19Å; Q91-L93 VanDerWaalsContact C-N 3.29Å; Q91-L93 PolarHBondContact O-N 3.39Å
94S79.7Confident82.5Confident50 Ų5096.1 Ų96.135%0.3553%0.534SS..  trans-76.3137.1179.583.80000110.8E90 Q91 N92 A96E90-S94 PolarHBondContact O-N 3.05Å; Q91-S94 WeakPolarHBondContact O-CB 3.41Å; Q91-S94 PolarHBondContact O-N 3.31Å; Q91-S94 PolarHBondContact O-OG 3.4Å; Q91-S94 PolarHBondContact OE1-OG 3.13Å; N92-S94 VanDerWaalsContact C-N 3.33Å; S94-A96 PolarHBondContact O-N 3.38Å
95V75.9Confident82.6Confident143 Ų14395.1 Ų95.187%0.86754%0.537SS*.  trans-79.711.2177.2-169.70000111.3E97V95-E97 PolarHBondContact O-N 3.5Å
96A76Confident82.6Confident71 Ų7194.8 Ų94.859%0.58755%0.552SS**  trans-71.2116.7-174.400000110.7S94 G98S94-A96 PolarHBondContact O-N 3.38Å; A96-G98 PolarHBondContact O-N 2.96Å
97E76.2Confident82.8Confident203 Ų20396.3 Ų96.395%0.94957%0.57SS**  trans-74.819179-60.2-173.2151.200113.9V95V95-E97 PolarHBondContact O-N 3.5Å
98G82.3Confident83Confident44 Ų4498.8 Ų98.845%0.45459%0.591SS.*SBendtrans-88.2172.7-177.200000114.1A96 N100A96-G98 PolarHBondContact O-N 2.96Å; G98-N100 PolarHBondContact O-N 3.14Å; G98-N100 VanDerWaalsContact O-N 3.1Å
99P83.6Confident83.2Confident123 Ų123101.9 Ų101.980%0.79961%0.613SS**PPolyproline II helixtrans-60.3116.3171.126.5-33.3000109.8
100N84.3Confident83.5Confident58 Ų58102.8 Ų102.831%0.3163%0.631SS.*PPolyproline II helixtrans-93.4172.4176.569.122.3000111.2G98 L102 T103 A104G98-N100 PolarHBondContact O-N 3.14Å; G98-N100 VanDerWaalsContact O-N 3.1Å; N100-L102 VanDerWaalsContact C-N 3.26Å; N100-L102 PolarHBondContact O-N 3.11Å; N100-L102 PolarHBondContact OD1-N 3.44Å; N100-L102 VanDerWaalsContact OD1-N 3.16Å; N100-T103 PolarHBondContact N-OG1 3.2Å; N100-T103 PolarHBondContact O-N 3.16Å; N100-T103 PolarHBondContact O-OG1 3.16Å; N100-T103 WeakPolarHBondContact OD1-CB 3.43Å; N100-T103 WeakPolarHBondContact OD1-CG2 3.3Å; N100-T103 PolarHBondContact OD1-N 2.73Å; N100-T103 PolarHBondContact OD1-OG1 3.25Å; N100-A104 WeakPolarHBondContact O-CB 3.37Å; N100-A104 PolarHBondContact O-N 3.07Å
101Y83.3Confident83.8Confident124 Ų124108.1 Ų108.149%0.48665%0.647SS.*THydrogen-bonded Turntrans-54.3-40.5179.7179.4-90000113.2F84 L88 C105F84-Y101 HydrophobicContact CE2-CD2 4.08Å; F84-Y101 HydrophobicContact CE2-CE1 4.2Å; F84-Y101 AromaticContact CE2-CE2 3.59Å; F84-Y101 HydrophobicContact CE2-CE2 3.59Å; F84-Y101 AromaticContact CE2-CZ 3.66Å; F84-Y101 HydrophobicContact CZ-CD1 4.17Å; F84-Y101 HydrophobicContact CZ-CD2 4.38Å; F84-Y101 AromaticContact CZ-CE1 3.55Å; F84-Y101 HydrophobicContact CZ-CE1 3.55Å; F84-Y101 AromaticContact CZ-CE2 3.78Å; F84-Y101 HydrophobicContact CZ-CE2 3.78Å; F84-Y101 AromaticContact CZ-CZ 3.31Å; F84-Y101 WeakPolarHBondContact CZ-OH 3.32Å; L88-Y101 HydrophobicContact CD2-CD1 3.51Å; L88-Y101 HydrophobicContact CD2-CD2 4.48Å; L88-Y101 HydrophobicContact CD2-CE1 4.29Å; L88-Y101 HydrophobicContact CD2-CG 3.64Å; Y101-C105 PolarHBondContact O-N 3.42Å; Y101-C105 PolarHBondContact O-SG 3.3Å
102L81.9Confident84.2Confident118 Ų118108.9 Ų108.962%0.61866%0.661SS**THydrogen-bonded Turntrans-73-35.2-177.3-62.9176.6000112.7N100 C105N100-L102 VanDerWaalsContact C-N 3.26Å; N100-L102 PolarHBondContact O-N 3.11Å; N100-L102 PolarHBondContact OD1-N 3.44Å; N100-L102 VanDerWaalsContact OD1-N 3.16Å; L102-C105 VanDerWaalsContact O-CB 3.32Å; L102-C105 WeakPolarHBondContact O-CB 3.31Å; L102-C105 PolarHBondContact O-N 3.34Å
103T85.3Confident84.6Confident97 Ų97111.2 Ų111.260%0.59567%0.667SS**THydrogen-bonded Turntrans-77-29.9176.357.90000112N100 C105N100-T103 PolarHBondContact N-OG1 3.2Å; N100-T103 PolarHBondContact O-N 3.16Å; N100-T103 PolarHBondContact O-OG1 3.16Å; N100-T103 WeakPolarHBondContact OD1-CB 3.43Å; N100-T103 WeakPolarHBondContact OD1-CG2 3.3Å; N100-T103 PolarHBondContact OD1-N 2.73Å; N100-T103 PolarHBondContact OD1-OG1 3.25Å; T103-C105 PolarHBondContact O-N 3.08Å
104A84.8Confident85.1Confident73 Ų73111.7 Ų111.760%0.60366%0.659SS**THydrogen-bonded Turntrans-821.717400000113.4N100 A106N100-A104 WeakPolarHBondContact O-CB 3.37Å; N100-A104 PolarHBondContact O-N 3.07Å; A104-A106 PolarHBondContact O-N 2.82Å; A104-A106 VanDerWaalsContact O-N 3.11Å
105C84Confident85.8Confident70 Ų70112 Ų11247%0.47366%0.66SS.*PPolyproline II helixtrans-60.6117.3177.5-80.10000110.5Y101 L102 T103Y101-C105 PolarHBondContact O-N 3.42Å; Y101-C105 PolarHBondContact O-SG 3.3Å; L102-C105 VanDerWaalsContact O-CB 3.32Å; L102-C105 WeakPolarHBondContact O-CB 3.31Å; L102-C105 PolarHBondContact O-N 3.34Å; T103-C105 PolarHBondContact O-N 3.08Å
106A85.8Confident86.7Confident96 Ų96110.3 Ų110.379%0.79364%0.641SS**PPolyproline II helixtrans-64.9142.5171.500000109.9A104A104-A106 PolarHBondContact O-N 2.82Å; A104-A106 VanDerWaalsContact O-N 3.11Å
107G87.5Confident87.7Confident61 Ų61107.1 Ų107.163%0.62962%0.615SS**PPolyproline II helixtrans-61.1172.9170.600000112.7
108P89Confident88.4Confident125 Ų125100.1 Ų100.181%0.81259%0.591SS**SBendtrans-56.7145.3-179.424.4-33.8000111.5S110P108-S110 PolarHBondContact O-N 2.72Å
109P90.4Very high89Confident105 Ų10599.9 Ų99.968%0.68258%0.581SS**PPolyproline II helixtrans-65.4128-176.826.9-34.1000110.8R111P109-R111 PolarHBondContact O-N 2.85Å
110S92.7Very high89.5Confident122 Ų12296.5 Ų96.585%0.85356%0.56SS**SBendtrans-70.3-19.7175.9171.40000113.2P108P108-S110 PolarHBondContact O-N 2.72Å
111R91.7Very high90Very high208 Ų20895.9 Ų95.979%0.78557%0.567SS**SBendtrans-116.6149.5-177.9-62.5-173-169.9101.90.5111.2P109P109-R111 PolarHBondContact O-N 2.85Å
112P90.5Very high90.6Very high118 Ų11896.7 Ų96.777%0.76657%0.573SS**PPolyproline II helixtrans-62.3150.917727.1-35.3000111.5R114P112-R114 PolarHBondContact O-N 2.98Å
113Q90Very high91.3Very high183 Ų18394.5 Ų94.586%0.85557%0.566SS**PPolyproline II helixtrans-59.8133177.4-67.7-170-2.500111
114R92.2Very high91.7Very high153 Ų15390 Ų9058%0.57754%0.539SS*.PPolyproline II helixtrans-89.8124.5179.3-64-176.274.5-108.17.7110P112 F116P112-R114 PolarHBondContact O-N 2.98Å; R114-F116 HydrophobicContact CB-CE2 4.1Å; R114-F116 HydrophobicContact CB-CZ 4.23Å; R114-F116 VanDerWaalsContact O-CD2 3.3Å; R114-F116 WeakPolarHBondContact O-CD2 3.39Å; R114-F116 PolarHBondContact O-N 3.48Å
115P93.5Very high92.1Very high56 Ų5690.5 Ų90.536%0.36454%0.536SS..PPolyproline II helixtrans-78.1122.8178.528.9-33000111.5S124 R134P115-S124 VanDerWaalsContact C-OG 3.22Å; P115-S124 WeakPolarHBondContact CB-O 3.24Å; P115-S124 VanDerWaalsContact CG-O 3.31Å; P115-S124 WeakPolarHBondContact CG-O 3.38Å; P115-S124 PolarHBondContact O-N 3.45Å; P115-S124 PolarHBondContact O-OG 3.27Å; P115-R134 HydrophobicContact CB-CG 4.24Å
116F96.3Very high92.7Very high108 Ų10893.2 Ų93.247%0.47454%0.537SS..BIsolated β-bridgetrans-108.9146.1176.9-65.1-74000112.7R114 A118 G121 S124 R134R114-F116 HydrophobicContact CB-CE2 4.1Å; R114-F116 HydrophobicContact CB-CZ 4.23Å; R114-F116 VanDerWaalsContact O-CD2 3.3Å; R114-F116 WeakPolarHBondContact O-CD2 3.39Å; R114-F116 PolarHBondContact O-N 3.48Å; F116-A118 PolarHBondContact O-N 2.74Å; F116-G121 WeakPolarHBondContact CD1-O 3.33Å; F116-S124 WeakPolarHBondContact CA-OG 3.38Å; F116-S124 PolarHBondContact N-OG 3.11Å; F116-S124 PolarHBondContact O-OG 3.23Å; F116-R134 WeakPolarHBondContact O-CB 3.41Å
117C95.6Very high93.1Very high5 Ų591 Ų913%0.03451%0.514CS..  trans-67.4124.2179.5-178.40000110V119 C120 G121 F122 S124 C136C117-V119 PolarHBondContact O-N 3.22Å; C117-C120 VanDerWaalsContact CB-SG 3.57Å; C117-C120 PolarHBondContact SG-SG 3.16Å; C117-G121 WeakPolarHBondContact O-CA 3.41Å; C117-G121 PolarHBondContact O-N 3.16Å; C117-F122 VanDerWaalsContact CB-O 3.24Å; C117-F122 WeakPolarHBondContact CB-O 3.05Å; C117-F122 PolarHBondContact N-O 3.36Å; C117-S124 PolarHBondContact N-OG 3.27Å; C117-C136 HydrophobicContact CB-CB 4.1Å; C117-C136 PolarHBondContact SG-N 3.14Å
118A91.6Very high93.3Very high55 Ų5588.3 Ų88.346%0.45549%0.485SS..THydrogen-bonded Turntrans-67-8.217900000114.2F116 R134F116-A118 PolarHBondContact O-N 2.74Å; A118-R134 PolarHBondContact N-O 3.39Å
119V93.8Very high93.3Very high40 Ų4087.4 Ų87.424%0.24248%0.477CS..THydrogen-bonded Turntrans-100.4-45.3-179.2178.40000111.8C117 C140 T143 H144C117-V119 PolarHBondContact O-N 3.22Å; V119-C140 HydrophobicContact CB-CB 4.05Å; V119-C140 HydrophobicContact CG1-CB 4.36Å; V119-C140 HydrophobicContact CG2-CB 4.18Å; V119-C140 WeakPolarHBondContact CG2-O 3.29Å; V119-T143 VanDerWaalsContact CG1-OG1 3.27Å; V119-T143 WeakPolarHBondContact CG1-OG1 3.42Å; V119-H144 HydrophobicContact CG2-CB 4.03Å
120C95.4Very high93.2Very high52 Ų5282.8 Ų82.835%0.35145%0.448SS..THydrogen-bonded Turntrans-126.7-2-170.361.20000114.7C117 F122 C136 C140C117-C120 VanDerWaalsContact CB-SG 3.57Å; C117-C120 PolarHBondContact SG-SG 3.16Å; C120-F122 HydrophobicContact CB-CD2 3.92Å; C120-F122 HydrophobicContact CB-CE2 4.42Å; C120-F122 PolarHBondContact O-N 3.42Å; C120-F122 VanDerWaalsContact O-N 3.13Å; C120-C136 PolarHBondContact SG-SG 2.88Å; C120-C140 VanDerWaalsContact SG-SG 3.67Å
121G94.9Very high93Very high45 Ų4577.4 Ų77.446%0.46441%0.41SS..  trans75.4-8.2177.900000115.8F116 C117F116-G121 WeakPolarHBondContact CD1-O 3.33Å; C117-G121 WeakPolarHBondContact O-CA 3.41Å; C117-G121 PolarHBondContact O-N 3.16Å
122F96.2Very high92.9Very high140 Ų14068.5 Ų68.561%0.61438%0.383SS*.SBendtrans-69.5158.1175.5-69.2-67.9000112.6C117 C120 S124C117-F122 VanDerWaalsContact CB-O 3.24Å; C117-F122 WeakPolarHBondContact CB-O 3.05Å; C117-F122 PolarHBondContact N-O 3.36Å; C120-F122 HydrophobicContact CB-CD2 3.92Å; C120-F122 HydrophobicContact CB-CE2 4.42Å; C120-F122 PolarHBondContact O-N 3.42Å; C120-F122 VanDerWaalsContact O-N 3.13Å; F122-S124 PolarHBondContact O-N 2.95Å
123P96.5Very high93Very high72 Ų7264.1 Ų64.147%0.46836%0.357SS..BIsolated β-bridgetrans-51.3137173.6-25.634.6000111.7C136P123-C136 WeakPolarHBondContact O-CB 3.36Å
124S93.4Very high93.2Very high4 Ų459.1 Ų59.13%0.02833%0.33CS..  trans-130.8113-171.654.30000110.9P115 F116 C117 F122 R134 Y135P115-S124 VanDerWaalsContact C-OG 3.22Å; P115-S124 WeakPolarHBondContact CB-O 3.24Å; P115-S124 VanDerWaalsContact CG-O 3.31Å; P115-S124 WeakPolarHBondContact CG-O 3.38Å; P115-S124 PolarHBondContact O-N 3.45Å; P115-S124 PolarHBondContact O-OG 3.27Å; F116-S124 WeakPolarHBondContact CA-OG 3.38Å; F116-S124 PolarHBondContact N-OG 3.11Å; F116-S124 PolarHBondContact O-OG 3.23Å; C117-S124 PolarHBondContact N-OG 3.27Å; F122-S124 PolarHBondContact O-N 2.95Å; S124-R134 PolarHBondContact O-NE 2.8Å; S124-R134 PolarHBondContact O-NH2 2.85Å; S124-R134 VanDerWaalsContact OG-CB 3.23Å; S124-R134 WeakPolarHBondContact OG-CB 3.41Å; S124-Y135 VanDerWaalsContact CB-O 3.27Å; S124-Y135 WeakPolarHBondContact CB-O 3.46Å
125P93.9Very high93.3Very high83 Ų8353.5 Ų53.554%0.53931%0.309SS..  trans-81.9-2117631-31.7000112.2R134P125-R134 PolarHBondContact O-NH1 3.48Å; P125-R134 PolarHBondContact O-NH2 2.98Å
126Y95.5Very high93.5Very high127 Ų12752 Ų5250%0.49830%0.299SS..EExtended strand (participates in β ladder)trans-99.7154.8-170.9-51.4-68.4000113.7R134 Y135 C136Y126-R134 VanDerWaalsContact O-CA 3.28Å; Y126-R134 WeakPolarHBondContact O-CA 3.15Å; Y126-R134 PolarHBondContact O-NE 3.47Å; Y126-Y135 WeakPolarHBondContact CB-O 3.28Å; Y126-Y135 HydrophobicContact CD2-CD2 4.22Å; Y126-Y135 AromaticContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CG-CD2 4.4Å; Y126-Y135 AromaticContact CG-CE2 3.81Å; Y126-Y135 HydrophobicContact CG-CE2 3.81Å; Y126-Y135 PolarHBondContact N-O 2.9Å; Y126-Y135 PolarHBondContact O-N 3.5Å; Y126-C136 WeakPolarHBondContact CD2-O 3.21Å; Y126-C136 WeakPolarHBondContact CE2-O 3.13Å
127T93.7Very high93.4Very high50 Ų5050 Ų5031%0.30730%0.296SS..EExtended strand (participates in β ladder)trans-127.9134.8180-47.90000110.2V129 G132 A133 R134 Y135T127-V129 PolarHBondContact O-N 3.38Å; T127-G132 VanDerWaalsContact CG2-O 3.25Å; T127-G132 WeakPolarHBondContact CG2-O 3.48Å; T127-A133 CarbonylContact C-O 3.59Å; T127-R134 WeakPolarHBondContact OG1-CD 3.38Å; T127-R134 PolarHBondContact OG1-NH1 3.13Å; T127-Y135 VanDerWaalsContact C-CE1 3.45Å
128C92.1Very high93.4Very high4 Ų455.4 Ų55.43%0.02733%0.329CS..  trans-67124.3171.9-173.70000109.9S130 G132 A133 H144C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 3.02Å; C128-S130 PolarHBondContact SG-OG 2.62Å; C128-G132 VanDerWaalsContact O-CA 3.23Å; C128-G132 WeakPolarHBondContact O-CA 3.49Å; C128-G132 PolarHBondContact O-N 3.04Å; C128-A133 WeakPolarHBondContact CB-O 3.49Å; C128-A133 PolarHBondContact N-O 3.48Å; C128-H144 PolarHBondContact SG-NE2 2.99Å; C128-H144 VanDerWaalsContact SG-NE2 3.44Å
129V88.9Confident93.6Very high105 Ų10563 Ų6364%0.63635%0.346SS*.THydrogen-bonded Turntrans-65.6-35.1-176.9-177.70000111.8V18 R24 T127V18-V129 HydrophobicContact CG1-CG1 4.34Å; V18-V129 WeakPolarHBondContact CG1-O 3.48Å; V18-V129 HydrophobicContact CG2-CG1 4.12Å; R24-V129 PolarHBondContact NH2-O 2.84Å; T127-V129 PolarHBondContact O-N 3.38Å
130S88.3Confident93.7Very high9 Ų961.7 Ų61.76%0.06334%0.338CS..THydrogen-bonded Turntrans-72.9-50.1-177.9500000112.8L19 C128 C149L19-S130 WeakPolarHBondContact CB-O 3.42Å; L19-S130 PolarHBondContact N-O 3.38Å; C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 3.02Å; C128-S130 PolarHBondContact SG-OG 2.62Å; S130-C149 PolarHBondContact OG-SG 3.13Å
131C88.8Confident93.7Very high9 Ų960.8 Ų60.86%0.06133%0.329CS..THydrogen-bonded Turntrans-113.7-9.6-171.374.90000115.8A133 H144 L150C131-A133 VanDerWaalsContact C-N 3.32Å; C131-A133 PolarHBondContact O-N 2.84Å; C131-A133 VanDerWaalsContact SG-CB 3.55Å; C131-A133 PolarHBondContact SG-N 3.33Å; C131-H144 PolarHBondContact SG-CE1 3.22Å; C131-H144 PolarHBondContact SG-NE2 3.26Å; C131-L150 HydrophobicContact CB-CD2 3.86Å; C131-L150 HydrophobicContact CB-CG 4.18Å
132G90.2Very high93.6Very high21 Ų2159.7 Ų59.722%0.21632%0.319CS..  trans81.30.1-178.100000115.9T127 C128T127-G132 VanDerWaalsContact CG2-O 3.25Å; T127-G132 WeakPolarHBondContact CG2-O 3.48Å; C128-G132 VanDerWaalsContact O-CA 3.23Å; C128-G132 WeakPolarHBondContact O-CA 3.49Å; C128-G132 PolarHBondContact O-N 3.04Å
133A91.4Very high93.5Very high26 Ų2655.6 Ų55.622%0.21531%0.305CS..  trans-67.3143.4178.700000111.7T127 C128 C131 H144T127-A133 CarbonylContact C-O 3.59Å; C128-A133 WeakPolarHBondContact CB-O 3.49Å; C128-A133 PolarHBondContact N-O 3.48Å; C131-A133 VanDerWaalsContact C-N 3.32Å; C131-A133 PolarHBondContact O-N 2.84Å; C131-A133 VanDerWaalsContact SG-CB 3.55Å; C131-A133 PolarHBondContact SG-N 3.33Å; A133-H144 WeakPolarHBondContact CB-CE1 3.08Å
134R94.3Very high93.3Very high78 Ų7852.5 Ų52.529%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-88.2144.1-178.6-57.6-70.7-68.9-165.5-5.5112P115 F116 A118 S124 P125 Y126 T127P115-R134 HydrophobicContact CB-CG 4.24Å; F116-R134 WeakPolarHBondContact O-CB 3.41Å; A118-R134 PolarHBondContact N-O 3.39Å; S124-R134 PolarHBondContact O-NE 2.8Å; S124-R134 PolarHBondContact O-NH2 2.85Å; S124-R134 VanDerWaalsContact OG-CB 3.23Å; S124-R134 WeakPolarHBondContact OG-CB 3.41Å; P125-R134 PolarHBondContact O-NH1 3.48Å; P125-R134 PolarHBondContact O-NH2 2.98Å; Y126-R134 VanDerWaalsContact O-CA 3.28Å; Y126-R134 WeakPolarHBondContact O-CA 3.15Å; Y126-R134 PolarHBondContact O-NE 3.47Å; T127-R134 WeakPolarHBondContact OG1-CD 3.38Å; T127-R134 PolarHBondContact OG1-NH1 3.13Å
135Y95.8Very high93.2Very high34 Ų3455.5 Ų55.513%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-143.3150.7177.465.6-90.1000112.4S124 Y126 T127 T137 L141S124-Y135 VanDerWaalsContact CB-O 3.27Å; S124-Y135 WeakPolarHBondContact CB-O 3.46Å; Y126-Y135 WeakPolarHBondContact CB-O 3.28Å; Y126-Y135 HydrophobicContact CD2-CD2 4.22Å; Y126-Y135 AromaticContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CG-CD2 4.4Å; Y126-Y135 AromaticContact CG-CE2 3.81Å; Y126-Y135 HydrophobicContact CG-CE2 3.81Å; Y126-Y135 PolarHBondContact N-O 2.9Å; Y126-Y135 PolarHBondContact O-N 3.5Å; T127-Y135 VanDerWaalsContact C-CE1 3.45Å; Y135-T137 WeakPolarHBondContact CD2-O 3.32Å; Y135-L141 HydrophobicContact CD1-CB 4.44Å; Y135-L141 HydrophobicContact CD1-CD1 3.91Å; Y135-L141 HydrophobicContact CD2-CB 3.81Å; Y135-L141 HydrophobicContact CE1-CB 4.44Å; Y135-L141 HydrophobicContact CE1-CD1 3.65Å; Y135-L141 HydrophobicContact CE1-CD2 4.4Å; Y135-L141 HydrophobicContact CE1-CG 4.37Å; Y135-L141 HydrophobicContact CE2-CB 3.81Å; Y135-L141 HydrophobicContact CE2-CD1 4.48Å; Y135-L141 HydrophobicContact CE2-CD2 4.15Å; Y135-L141 HydrophobicContact CE2-CG 4.37Å; Y135-L141 HydrophobicContact CG-CB 4.13Å; Y135-L141 HydrophobicContact CG-CD1 4.43Å
136C96.4Very high93Very high25 Ų2557.6 Ų57.617%0.16930%0.3CS..SBendtrans-89.7-36.1-177.562.50000113.7C117 C120 P123 Y126 C140C117-C136 HydrophobicContact CB-CB 4.1Å; C117-C136 PolarHBondContact SG-N 3.14Å; C120-C136 PolarHBondContact SG-SG 2.88Å; P123-C136 WeakPolarHBondContact O-CB 3.36Å; Y126-C136 WeakPolarHBondContact CD2-O 3.21Å; Y126-C136 WeakPolarHBondContact CE2-O 3.13Å; C136-C140 PolarHBondContact SG-SG 3.07Å
137T95.7Very high92.6Very high65 Ų6554.4 Ų54.440%0.39929%0.294SS..SBendtrans-141.9162.9-173.8590000111.3Y135 R139 C140 L141Y135-T137 WeakPolarHBondContact CD2-O 3.32Å; T137-R139 PolarHBondContact O-N 2.86Å; T137-C140 CarbonylContact O-C 3.52Å; T137-C140 WeakPolarHBondContact O-CA 3.35Å; T137-C140 WeakPolarHBondContact O-CB 3.46Å; T137-C140 PolarHBondContact O-N 2.9Å; T137-C140 PolarHBondContact OG1-N 2.93Å; T137-L141 PolarHBondContact O-N 3.46Å
138V95Very high92.2Very high119 Ų11957.1 Ų57.172%0.72130%0.299SS*.Hα-helixtrans-57.3-32.6175.1-177.20000111.7C140 L141 G142V138-C140 PolarHBondContact O-N 3.21Å; V138-L141 WeakPolarHBondContact O-CB 3.49Å; V138-L141 PolarHBondContact O-N 2.73Å; V138-L141 VanDerWaalsContact O-N 3.15Å; V138-G142 PolarHBondContact O-N 3.1Å
139R95.6Very high91.9Very high215 Ų21557.9 Ų57.981%0.81130%0.304SS*.Hα-helixtrans-60.5-44.5173.1-66.3-178.967.1-173.20.4111.9T137 L141 G142 T143T137-R139 PolarHBondContact O-N 2.86Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-G142 PolarHBondContact O-N 3.07Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 VanDerWaalsContact O-N 3.13Å; R139-T143 PolarHBondContact O-OG1 2.94Å
140C96.4Very high91.5Very high13 Ų1354.7 Ų54.79%0.08828%0.284CS..Hα-helixtrans-70.3-30.2174.8-69.20000112.4V119 C120 C136 T137 V138 T143 H144V119-C140 HydrophobicContact CB-CB 4.05Å; V119-C140 HydrophobicContact CG1-CB 4.36Å; V119-C140 HydrophobicContact CG2-CB 4.18Å; V119-C140 WeakPolarHBondContact CG2-O 3.29Å; C120-C140 VanDerWaalsContact SG-SG 3.67Å; C136-C140 PolarHBondContact SG-SG 3.07Å; T137-C140 CarbonylContact O-C 3.52Å; T137-C140 WeakPolarHBondContact O-CA 3.35Å; T137-C140 WeakPolarHBondContact O-CB 3.46Å; T137-C140 PolarHBondContact O-N 2.9Å; T137-C140 PolarHBondContact OG1-N 2.93Å; V138-C140 PolarHBondContact O-N 3.21Å; C140-T143 WeakPolarHBondContact CA-OG1 3.31Å; C140-T143 PolarHBondContact O-OG1 3.06Å; C140-T143 VanDerWaalsContact O-OG1 3.07Å; C140-H144 WeakPolarHBondContact O-CB 3.47Å; C140-H144 PolarHBondContact O-N 3.03Å
141L94.4Very high90.7Very high32 Ų3260.4 Ų60.417%0.16831%0.307CS..Hα-helixtrans-63.9-44.4171.4179.959.9000111.1Y135 T137 V138 R139 H144 Q145Y135-L141 HydrophobicContact CD1-CB 4.44Å; Y135-L141 HydrophobicContact CD1-CD1 3.91Å; Y135-L141 HydrophobicContact CD2-CB 3.81Å; Y135-L141 HydrophobicContact CE1-CB 4.44Å; Y135-L141 HydrophobicContact CE1-CD1 3.65Å; Y135-L141 HydrophobicContact CE1-CD2 4.4Å; Y135-L141 HydrophobicContact CE1-CG 4.37Å; Y135-L141 HydrophobicContact CE2-CB 3.81Å; Y135-L141 HydrophobicContact CE2-CD1 4.48Å; Y135-L141 HydrophobicContact CE2-CD2 4.15Å; Y135-L141 HydrophobicContact CE2-CG 4.37Å; Y135-L141 HydrophobicContact CG-CB 4.13Å; Y135-L141 HydrophobicContact CG-CD1 4.43Å; T137-L141 PolarHBondContact O-N 3.46Å; V138-L141 WeakPolarHBondContact O-CB 3.49Å; V138-L141 PolarHBondContact O-N 2.73Å; V138-L141 VanDerWaalsContact O-N 3.15Å; R139-L141 VanDerWaalsContact C-N 3.33Å; L141-H144 WeakPolarHBondContact O-CB 2.93Å; L141-H144 PolarHBondContact O-N 3.26Å; L141-Q145 HydrophobicContact CD1-CG 4.1Å; L141-Q145 HydrophobicContact CG-CG 4.44Å; L141-Q145 WeakPolarHBondContact O-CB 3.27Å; L141-Q145 VanDerWaalsContact O-CG 3.26Å; L141-Q145 WeakPolarHBondContact O-CG 3.17Å; L141-Q145 PolarHBondContact O-N 3.04Å
142G93.4Very high89.2Confident23 Ų2370.3 Ų70.324%0.23734%0.343CS..Hα-helixtrans-59.2-53.8176.800000111.8V138 R139 H144 Q145 E146V138-G142 PolarHBondContact O-N 3.1Å; R139-G142 PolarHBondContact O-N 3.07Å; G142-H144 VanDerWaalsContact C-N 3.28Å; G142-H144 PolarHBondContact O-N 3.29Å; G142-Q145 PolarHBondContact O-N 2.71Å; G142-Q145 VanDerWaalsContact O-N 3.07Å; G142-E146 WeakPolarHBondContact O-CG 3.25Å; G142-E146 PolarHBondContact O-N 3.43Å
143T94.1Very high87.6Confident53 Ų5372.2 Ų72.233%0.32535%0.351SS..Hα-helixtrans-61.4-37.9177.457.50000112.3V119 R139 C140 E146 T147V119-T143 VanDerWaalsContact CG1-OG1 3.27Å; V119-T143 WeakPolarHBondContact CG1-OG1 3.42Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 VanDerWaalsContact O-N 3.13Å; R139-T143 PolarHBondContact O-OG1 2.94Å; C140-T143 WeakPolarHBondContact CA-OG1 3.31Å; C140-T143 PolarHBondContact O-OG1 3.06Å; C140-T143 VanDerWaalsContact O-OG1 3.07Å; T143-E146 PolarHBondContact O-N 3.28Å; T143-T147 WeakPolarHBondContact O-CB 3.34Å; T143-T147 PolarHBondContact O-N 2.71Å; T143-T147 PolarHBondContact O-OG1 2.79Å
144H92.4Very high85.5Confident7 Ų780.4 Ų80.43%0.03240%0.398CS..Hα-helixtrans-60-47.9173.1169.970.3000111.4V119 C128 C131 A133 C140 L141 G142 E146 R148 C149V119-H144 HydrophobicContact CG2-CB 4.03Å; C128-H144 PolarHBondContact SG-NE2 2.99Å; C128-H144 VanDerWaalsContact SG-NE2 3.44Å; C131-H144 PolarHBondContact SG-CE1 3.22Å; C131-H144 PolarHBondContact SG-NE2 3.26Å; A133-H144 WeakPolarHBondContact CB-CE1 3.08Å; C140-H144 WeakPolarHBondContact O-CB 3.47Å; C140-H144 PolarHBondContact O-N 3.03Å; L141-H144 WeakPolarHBondContact O-CB 2.93Å; L141-H144 PolarHBondContact O-N 3.26Å; G142-H144 VanDerWaalsContact C-N 3.28Å; G142-H144 PolarHBondContact O-N 3.29Å; H144-E146 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 2.79Å; H144-R148 CarbonylContact O-C 3.33Å; H144-R148 WeakPolarHBondContact O-CA 3.38Å; H144-R148 WeakPolarHBondContact O-CB 3.33Å; H144-R148 PolarHBondContact O-N 3.22Å; H144-C149 WeakPolarHBondContact NE2-CB 3.31Å; H144-C149 WeakPolarHBondContact O-CB 3.4Å; H144-C149 PolarHBondContact O-N 3.24Å
145Q90.2Very high85.1Confident68 Ų6880.5 Ų80.532%0.31840%0.403SS..Hα-helixtrans-64.1-38-179.8-72.7179.416.300112.7R16 L141 G142R16-Q145 VanDerWaalsContact NH1-NE2 3.16Å; R16-Q145 VanDerWaalsContact NH2-OE1 3.14Å; L141-Q145 HydrophobicContact CD1-CG 4.1Å; L141-Q145 HydrophobicContact CG-CG 4.44Å; L141-Q145 WeakPolarHBondContact O-CB 3.27Å; L141-Q145 VanDerWaalsContact O-CG 3.26Å; L141-Q145 WeakPolarHBondContact O-CG 3.17Å; L141-Q145 PolarHBondContact O-N 3.04Å; G142-Q145 PolarHBondContact O-N 2.71Å; G142-Q145 VanDerWaalsContact O-N 3.07Å
146E89.4Confident84.5Confident126 Ų12682.9 Ų82.959%0.58942%0.417SS*.Hα-helixtrans-74.7-35.6-178.8-69.6167.3-167.400113.4G142 T143 H144G142-E146 WeakPolarHBondContact O-CG 3.25Å; G142-E146 PolarHBondContact O-N 3.43Å; T143-E146 PolarHBondContact O-N 3.28Å; H144-E146 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 2.79Å
147T88.7Confident83.9Confident61 Ų6186.2 Ų86.237%0.37443%0.431SS..Hα-helixtrans-117-23.1-166.265.40000114.9T143T143-T147 WeakPolarHBondContact O-CB 3.34Å; T143-T147 PolarHBondContact O-N 2.71Å; T143-T147 PolarHBondContact O-OG1 2.79Å
148R84.2Confident83.2Confident106 Ų10687.4 Ų87.440%0.443%0.433SS..THydrogen-bonded Turntrans-129.7-35.1-166.8-69174175.284.4-9.1114.6H144 L150H144-R148 CarbonylContact O-C 3.33Å; H144-R148 WeakPolarHBondContact O-CA 3.38Å; H144-R148 WeakPolarHBondContact O-CB 3.33Å; H144-R148 PolarHBondContact O-N 3.22Å; R148-L150 PolarHBondContact O-N 2.69Å; R148-L150 VanDerWaalsContact O-N 3.13Å
149C87Confident82.4Confident21 Ų2185.4 Ų85.414%0.14242%0.415CS..SBendtrans-68109.8-172.5-175.50000110.7S130 H144 K151S130-C149 PolarHBondContact OG-SG 3.13Å; H144-C149 WeakPolarHBondContact NE2-CB 3.31Å; H144-C149 WeakPolarHBondContact O-CB 3.4Å; H144-C149 PolarHBondContact O-N 3.24Å; C149-K151 PolarHBondContact O-N 3.37Å
150L80.2Confident81.6Confident38 Ų3876.8 Ų76.820%0.19939%0.388CS..SBendtrans5215.9176.2-55.4-179.7000115.1L19 C131 R148 W152 T153L19-L150 HydrophobicContact CD1-CD2 3.61Å; L19-L150 HydrophobicContact CG-CD2 4.23Å; C131-L150 HydrophobicContact CB-CD2 3.86Å; C131-L150 HydrophobicContact CB-CG 4.18Å; R148-L150 PolarHBondContact O-N 2.69Å; R148-L150 VanDerWaalsContact O-N 3.13Å; L150-W152 PolarHBondContact O-N 3.28Å; L150-T153 WeakPolarHBondContact CA-OG1 3.41Å; L150-T153 HydrophobicContact CB-CG2 4.37Å; L150-T153 WeakPolarHBondContact CB-OG1 3.44Å; L150-T153 HydrophobicContact CD2-CG2 3.82Å; L150-T153 PolarHBondContact O-N 2.77Å; L150-T153 PolarHBondContact O-OG1 3.26Å
151K71.8Confident80.5Confident128 Ų12881.4 Ų81.456%0.55741%0.41SS*.THydrogen-bonded Turntrans-69.9-35.2-175.7-171170.9-175.6166.10112.8C149C149-K151 PolarHBondContact O-N 3.37Å
152W57.6Low79.4Confident217 Ų21785.2 Ų85.282%0.82243%0.428SS*.THydrogen-bonded Turntrans-10122.5177.4-48.8111.1000112.3L150L150-W152 PolarHBondContact O-N 3.28Å
153T55.8Low78.3Confident61 Ų6190.3 Ų90.337%0.37444%0.444SS..  trans-97.691.3174.256.50000109.7R27 L150R27-T153 VanDerWaalsContact NE-CG2 3.3Å; L150-T153 WeakPolarHBondContact CA-OG1 3.41Å; L150-T153 HydrophobicContact CB-CG2 4.37Å; L150-T153 WeakPolarHBondContact CB-OG1 3.44Å; L150-T153 HydrophobicContact CD2-CG2 3.82Å; L150-T153 PolarHBondContact O-N 2.77Å; L150-T153 PolarHBondContact O-OG1 3.26Å
154V47.8Very low76.8Confident198 Ų19893.7 Ų93.7100%1.246%0.455SS*.  trans-124.90147.2-176.60000106.1

Retrieved 154 of 154 residues in 52.3 ms (Link to these results)