RB11A_RAT Loading...

Ras-related protein Rab-11A

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion (By similarity). RAB11A regulates endocytic recycling1. Forms a functional Rab11/RAB11FIP3/dynein complex that regulates the movement of peripheral sorting endosomes (SE) along microtubule tracks toward the microtubule organizing center/centrosome, generating the endosomal recycling compartment (ERC). Acts as a major regulator of membrane delivery during cytokinesis. Together with MYO5B and RAB8A participates in epithelial cell polarization. Together with Rabin8/RAB3IP, RAB8A, the exocyst complex, PARD3, PRKCI, ANXA2, CDC42 and DNMBP promotes transcytosis of PODXL to the apical membrane initiation sites (AMIS), apical surface formation and lumenogenesis. Together with MYO5B participates in CFTR trafficking to the plasma membrane and TF (Transferrin) recycling in nonpolarized cells. Required in a complex with MYO5B and RAB11FIP2 for the transport of NPC1L1 to the plasma membrane. Participates in the sorting and basolateral transport of CDH1 from the Golgi apparatus to the plasma membrane (By similarity). Regulates the recycling of FCGRT (receptor of Fc region of monomeric IgG) to basolateral membranes (By similarity). May also play a role in melanosome transport and release from melanocytes (By similarity). Promotes Rabin8/RAB3IP preciliary vesicular trafficking to mother centriole by forming a ciliary targeting complex containing Rab11, ASAP1, Rabin8/RAB3IP, RAB11FIP3 and ARF4, thereby regulating ciliogenesis initiation. On the contrary, upon LPAR1 receptor signaling pathway activation, interaction with phosphorylated WDR44 prevents Rab11-RAB3IP-RAB11FIP3 complex formation and cilia growth. Participates in the export of a subset of neosynthesized proteins through a Rab8-Rab10-Rab11-endososomal dependent export route via interaction with WDR44 (By similarity). Also interacts with RABL3 to promote ciliary vesicle formation (By similarity).

AlphaFold DB , UniProt , Accession P62494, Species RAT (Rattus norvegicus, Rat), Gene Rab11a, Length 216 aa.

Structure Viewer
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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
1M39.7Very low73.6Confident245 Ų245115.6 Ų115.6100%1.20759%0.586SS**  0103.30-81.6171.3163.200106.3T3M1-T3 PolarHBondContact O-N 3.09Å
2G49.9Very low75.6Confident69 Ų69106.6 Ų106.671%0.71154%0.54SS*.  trans-67.2129.6172.700000108.4
3T54.9Low77.3Confident87 Ų87101.3 Ų101.353%0.53451%0.511SS..  trans-69.1151.2168.748.90000107.9M1 D5 D6M1-T3 PolarHBondContact O-N 3.09Å; T3-D5 PolarHBondContact O-N 3.08Å; T3-D6 PolarHBondContact O-N 3.02Å
4R60.5Low78.7Confident227 Ų22794.1 Ų94.186%0.85748%0.475SS*.G310 helixtrans-53.7-20.9177.1-78.2179.2169.5179-4113.4D6 E7R4-D6 PolarHBondContact O-N 3.27Å; R4-E7 PolarHBondContact O-N 3.09Å
5D62Low79.9Confident123 Ų12387.9 Ų87.966%0.65844%0.443SS*.G310 helixtrans-67.7-14.2175.8-65.2-25.6000114.2T3T3-D5 PolarHBondContact O-N 3.08Å
6D72Confident81Confident87 Ų8782.4 Ų82.447%0.46542%0.415SS..G310 helixtrans-89.5-16.5176.5-73.8-33.4000113.9T3 R4 Y8 K61T3-D6 PolarHBondContact O-N 3.02Å; R4-D6 PolarHBondContact O-N 3.27Å; D6-Y8 WeakPolarHBondContact O-CD1 3.15Å; D6-Y8 PolarHBondContact O-N 3.31Å; D6-K61 IonicContact OD1-NZ 3.02Å; D6-K61 PolarHBondContact OD1-NZ 3Å
7E88.2Confident81.9Confident153 Ų15377.5 Ų77.572%0.71539%0.391SS*.  trans-78.8119.9174.4-72.1-178.6-178.100110R4R4-E7 PolarHBondContact O-N 3.09Å
8Y93.9Very high82.7Confident105 Ų10573.3 Ų73.341%0.41237%0.37SS..  trans-138.6148.9175.659.7-96.2000110.4D6 Y10 L11 K61D6-Y8 WeakPolarHBondContact O-CD1 3.15Å; D6-Y8 PolarHBondContact O-N 3.31Å; Y8-Y10 VanDerWaalsContact CD2-C 3.45Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.4Å; Y8-L11 HydrophobicContact CD2-CB 4.09Å; Y8-L11 HydrophobicContact CE2-CB 3.52Å; Y8-L11 HydrophobicContact CE2-CD1 4.5Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; Y8-K61 HydrophobicContact CD1-CB 3.95Å; Y8-K61 HydrophobicContact CD1-CD 3.41Å; Y8-K61 VanDerWaalsContact CD1-CD 3.41Å; Y8-K61 HydrophobicContact CD1-CG 4.32Å; Y8-K61 HydrophobicContact CD2-CB 4.43Å; Y8-K61 HydrophobicContact CE1-CD 3.82Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.15Å
9D95.8Very high83.4Confident74 Ų7470.5 Ų70.540%0.39636%0.356SS..SBendtrans-81-35.6172.6-64.4-93.5000111K58 T59D9-K58 HydrophobicContact CB-CB 4.19Å; D9-K58 HydrophobicContact CB-CD 3.91Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.3Å; D9-K58 IonicContact OD1-NZ 3.84Å; D9-K58 PolarHBondContact OD1-NZ 2.86Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; D9-T59 PolarHBondContact N-O 3.16Å; D9-T59 PolarHBondContact OD2-N 2.95Å
10Y96.7Very high83.9Confident32 Ų3269.2 Ų69.213%0.12535%0.354CS..EExtended strand (participates in β ladder)trans-135.5139.6-177.2-63.4-88.2000111.8Y8 F12 K58 T59 K61 Y173 V176 Q180Y8-Y10 VanDerWaalsContact CD2-C 3.45Å; Y8-Y10 WeakPolarHBondContact CD2-O 3.4Å; Y10-F12 AromaticContact CD1-CE1 3.9Å; Y10-F12 HydrophobicContact CD1-CE1 3.9Å; Y10-F12 AromaticContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CG-CE1 4.13Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; Y10-K58 HydrophobicContact CD2-CB 4.25Å; Y10-K58 HydrophobicContact CE2-CB 4.16Å; Y10-K58 HydrophobicContact CE2-CD 4.33Å; Y10-K58 HydrophobicContact CE2-CG 4.09Å; Y10-T59 PolarHBondContact N-O 2.95Å; Y10-K61 PolarHBondContact O-N 3.29Å; Y10-Y173 AromaticContact CD2-CD2 3.98Å; Y10-Y173 HydrophobicContact CD2-CD2 3.98Å; Y10-Y173 AromaticContact CD2-CE2 3.96Å; Y10-Y173 HydrophobicContact CD2-CE2 3.96Å; Y10-Y173 AromaticContact CE2-CD2 3.85Å; Y10-Y173 HydrophobicContact CE2-CD2 3.85Å; Y10-Y173 AromaticContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CE2-CE2 3.41Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.76Å; Y10-V176 HydrophobicContact CD1-CG1 4.11Å; Y10-V176 HydrophobicContact CE1-CG1 3.93Å; Y10-Q180 PolarHBondContact OH-OE1 2.77Å
11L96.5Very high84.3Confident70 Ų7068 Ų6837%0.36636%0.358SS..EExtended strand (participates in β ladder)trans-113.5113.9171.1-174.869000108.8Y8 K61 Q63Y8-L11 HydrophobicContact CD2-CB 4.09Å; Y8-L11 HydrophobicContact CE2-CB 3.52Å; Y8-L11 HydrophobicContact CE2-CD1 4.5Å; Y8-L11 HydrophobicContact CE2-CG 4.45Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.92Å; L11-K61 HydrophobicContact CD1-CD 4.27Å; L11-K61 HydrophobicContact CD1-CG 3.95Å; L11-Q63 HydrophobicContact CD1-CG 3.8Å; L11-Q63 HydrophobicContact CG-CG 4.46Å
12F97.5Very high87Confident7 Ų756.3 Ų56.33%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-113.9128.2-178.9-65.6-20.9000111.4Y10 I60 K61 A62 Q63 V85 L169 I172 V176Y10-F12 AromaticContact CD1-CE1 3.9Å; Y10-F12 HydrophobicContact CD1-CE1 3.9Å; Y10-F12 AromaticContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CD1-CZ 3.92Å; Y10-F12 HydrophobicContact CG-CE1 4.13Å; Y10-F12 AromaticContact CG-CZ 3.93Å; Y10-F12 HydrophobicContact CG-CZ 3.93Å; F12-I60 HydrophobicContact CB-CG2 4.44Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.26Å; F12-I60 HydrophobicContact CE2-CG2 3.73Å; F12-I60 HydrophobicContact CG-CG2 4.03Å; F12-K61 PolarHBondContact N-O 2.91Å; F12-A62 CarbonylContact O-C 3.25Å; F12-A62 WeakPolarHBondContact O-CA 3.22Å; F12-Q63 PolarHBondContact O-N 3.37Å; F12-V85 HydrophobicContact CB-CG2 3.81Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CG-CG2 4.13Å; F12-L169 HydrophobicContact CB-CD2 4.21Å; F12-L169 HydrophobicContact CD2-CD2 4.11Å; F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.14Å; F12-I172 HydrophobicContact CD2-CG2 3.66Å; F12-I172 HydrophobicContact CE1-CG2 4.02Å; F12-I172 HydrophobicContact CE2-CB 4.1Å; F12-I172 HydrophobicContact CE2-CG2 3.64Å; F12-I172 HydrophobicContact CG-CG2 3.88Å; F12-I172 HydrophobicContact CZ-CG2 3.85Å; F12-V176 HydrophobicContact CE1-CB 4.46Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.18Å; F12-V176 HydrophobicContact CZ-CB 4.41Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å
13K96.9Very high89.3Confident38 Ų3853.5 Ų53.517%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-91.6118.7171.8179.7175.1173.1-170.50110.1Q63 Y80 R82 A84 V85 G86K13-Q63 WeakPolarHBondContact CA-O 3.1Å; K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.42Å; K13-R82 PolarHBondContact NZ-O 2.96Å; K13-A84 HydrophobicContact CG-CB 4.36Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; K13-V85 PolarHBondContact O-N 2.95Å; K13-G86 PolarHBondContact O-N 3.07Å
14V97.9Very high91.3Very high1 Ų149.7 Ų49.71%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-118.9136.1176.2179.60000109.5Q63 I64 W65 G86 L169 I172V14-Q63 PolarHBondContact N-O 2.93Å; V14-I64 HydrophobicContact CB-CG1 4.49Å; V14-I64 WeakPolarHBondContact O-CA 3.28Å; V14-W65 PolarHBondContact O-N 2.72Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.31Å; V14-L169 HydrophobicContact CG2-CD2 3.9Å; V14-I172 HydrophobicContact CG2-CD1 4.11Å
15V96.8Very high93Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-109.9141.2176.4-63.80000111I17 W65 Y81 A84 G86 A87 L88 L109V15-I17 HydrophobicContact CB-CG2 4.42Å; V15-I17 HydrophobicContact CG2-CG2 4.14Å; V15-W65 HydrophobicContact CG1-CB 4.23Å; V15-Y81 HydrophobicContact CG2-CD1 4.31Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.19Å; V15-G86 PolarHBondContact N-O 3.2Å; V15-A87 HydrophobicContact CG2-CB 3.73Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.36Å; V15-L88 PolarHBondContact O-N 3.31Å; V15-L109 HydrophobicContact CG2-CD1 4.23Å
16L97.6Very high94.7Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-100.4121.3169.3-49.2-176.8000108.3K24 L28 I64 W65 D66 T67 L88 F165L16-K24 HydrophobicContact CB-CB 4.15Å; L16-K24 HydrophobicContact CB-CD 4.2Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-K24 WeakPolarHBondContact CD1-O 3.21Å; L16-L28 HydrophobicContact CD1-CB 3.89Å; L16-I64 HydrophobicContact CD1-CG2 4.1Å; L16-I64 HydrophobicContact CD2-CG2 4Å; L16-I64 HydrophobicContact CG-CG2 3.85Å; L16-W65 PolarHBondContact N-O 2.82Å; L16-D66 HydrophobicContact CD1-CB 4.28Å; L16-T67 PolarHBondContact O-N 2.95Å; L16-T67 PolarHBondContact O-OG1 3.23Å; L16-L88 HydrophobicContact CD2-CB 3.66Å; L16-L88 HydrophobicContact CD2-CD1 3.65Å; L16-L88 HydrophobicContact CD2-CG 3.85Å; L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.04Å
17I95.7Very high95.9Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-128.7161.2-178.165.2170.1000111.2V15 K24 Y81 L88 L89 V90 W105 L109V15-I17 HydrophobicContact CB-CG2 4.42Å; V15-I17 HydrophobicContact CG2-CG2 4.14Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; I17-Y81 HydrophobicContact CG2-CD1 4.46Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; I17-L88 PolarHBondContact N-O 3.37Å; I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.25Å; I17-L89 HydrophobicContact CG1-CD1 3.77Å; I17-V90 PolarHBondContact O-N 3.14Å; I17-W105 HydrophobicContact CB-CE3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.4Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CD2 3.82Å; I17-L109 HydrophobicContact CD1-CG 4.22Å
18G96.1Very high96.4Very high1 Ų123.6 Ų23.61%0.0113%0.133CC..SBendtrans132.2172.6-175.700000112.1K24 G69 W105G18-K24 PolarHBondContact O-NZ 3.34Å; G18-G69 VanDerWaalsContact O-CA 3.26Å; G18-G69 WeakPolarHBondContact O-CA 3.24Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.2Å
19D95.3Very high96.5Very high20 Ų2019.1 Ų19.111%0.10712%0.117CC..SBendtrans-59160.9-174.8-832.5000113.5G21 V22 K24 T98 N101 R104 W105D19-G21 PolarHBondContact O-N 3.04Å; D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.28Å; D19-V22 WeakPolarHBondContact O-CG2 3.16Å; D19-K24 PolarHBondContact O-NZ 3.39Å; D19-T98 HydrophobicContact CB-CG2 4.2Å; D19-N101 PolarHBondContact OD2-ND2 2.95Å; D19-R104 IonicContact OD1-NH2 3.43Å; D19-R104 PolarHBondContact OD1-NH2 3.2Å; D19-W105 PolarHBondContact OD1-NE1 3.29Å
20S93.3Very high96.6Very high44 Ų4417.7 Ų17.731%0.30811%0.106SC..THydrogen-bonded Turntrans-61.1137.7171.3177.80000110.7V22 S42 G69S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.4Å; S20-S42 PolarHBondContact OG-OG 3.2Å; S20-G69 PolarHBondContact N-O 3.1Å; S20-G69 VanDerWaalsContact N-O 3.09Å
21G93.8Very high96.6Very high44 Ų4416.4 Ų16.445%0.45410%0.101SC..THydrogen-bonded Turntrans78.95.3173.700000115.7D19 G23 K125D19-G21 PolarHBondContact O-N 3.04Å; G21-G23 PolarHBondContact O-N 3.49Å; G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.35Å
22V96.8Very high96.6Very high0 Ų014.4 Ų14.40%09%0.092CC..SBendtrans-71.5-15.3172.3-56.80000113D19 S20 K24 V90 D92 T98 N124 K125D19-V22 HydrophobicContact CB-CG1 3.86Å; D19-V22 VanDerWaalsContact O-CG2 3.28Å; D19-V22 WeakPolarHBondContact O-CG2 3.16Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.4Å; V22-K24 HydrophobicContact CG2-CD 4.29Å; V22-K24 HydrophobicContact CG2-CG 3.6Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.92Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; V22-D92 HydrophobicContact CB-CB 4.36Å; V22-D92 HydrophobicContact CG1-CB 4.26Å; V22-T98 HydrophobicContact CG1-CG2 3.86Å; V22-N124 PolarHBondContact O-ND2 3.16Å; V22-K125 WeakPolarHBondContact O-CE 3.29Å
23G97.1Very high96.5Very high10 Ų1020.1 Ų20.110%0.10311%0.113CC..SBendtrans103.920.4174.100000115.6G21 S25 N26 L27G21-G23 PolarHBondContact O-N 3.49Å; G23-S25 PolarHBondContact O-N 3.07Å; G23-N26 PolarHBondContact O-N 3.27Å; G23-N26 VanDerWaalsContact O-N 3.16Å; G23-L27 PolarHBondContact O-N 3.05Å
24K96.8Very high96.5Very high8 Ų823.7 Ų23.74%0.03513%0.134CC..Hα-helixtrans-52.7-50177.4-55.8-170.7-60.6-770113.3L16 I17 G18 D19 V22 N26 L27 L28 D66 T67 V90L16-K24 HydrophobicContact CB-CB 4.15Å; L16-K24 HydrophobicContact CB-CD 4.2Å; L16-K24 HydrophobicContact CB-CG 4.46Å; L16-K24 HydrophobicContact CD1-CB 4.4Å; L16-K24 WeakPolarHBondContact CD1-O 3.21Å; I17-K24 VanDerWaalsContact C-CD 3.49Å; G18-K24 PolarHBondContact O-NZ 3.34Å; D19-K24 PolarHBondContact O-NZ 3.39Å; V22-K24 HydrophobicContact CG2-CD 4.29Å; V22-K24 HydrophobicContact CG2-CG 3.6Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.23Å; K24-L27 WeakPolarHBondContact O-CB 3.42Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-L27 VanDerWaalsContact O-N 3.13Å; K24-L28 PolarHBondContact O-N 2.94Å; K24-D66 WeakPolarHBondContact CB-OD1 3.28Å; K24-T67 WeakPolarHBondContact CE-O 3.27Å; K24-V90 HydrophobicContact CG-CB 4.09Å; K24-V90 HydrophobicContact CG-CG2 4.15Å
25S96.2Very high96.4Very high25 Ų2528.3 Ų28.318%0.17516%0.155CC..Hα-helixtrans-62-38.7178.2-37.10000112.4G23 L28 S29 T43 D66G23-S25 PolarHBondContact O-N 3.07Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.4Å; S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.87Å; S25-T43 PolarHBondContact OG-OG1 3.42Å; S25-D66 WeakPolarHBondContact CA-OD2 3.48Å; S25-D66 VanDerWaalsContact CB-OD2 3.23Å; S25-D66 WeakPolarHBondContact CB-OD2 3.25Å; S25-D66 PolarHBondContact OG-OD2 3.34Å
26N97.4Very high96.3Very high12 Ų1231.3 Ų31.36%0.06417%0.168CC..Hα-helixtrans-69.7-34.2175.8-86.8-39.4000112.3G23 K24 S29 R30 F36 N37 S40 A155G23-N26 PolarHBondContact O-N 3.27Å; G23-N26 VanDerWaalsContact O-N 3.16Å; K24-N26 VanDerWaalsContact C-N 3.31Å; K24-N26 PolarHBondContact O-N 3.23Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-OG 2.86Å; N26-R30 WeakPolarHBondContact O-CB 3.31Å; N26-R30 PolarHBondContact O-N 3.08Å; N26-F36 HydrophobicContact CB-CD2 3.84Å; N26-F36 HydrophobicContact CB-CE2 3.96Å; N26-N37 PolarHBondContact ND2-O 3.36Å; N26-N37 PolarHBondContact OD1-N 3.43Å; N26-N37 PolarHBondContact OD1-O 2.94Å; N26-S40 PolarHBondContact ND2-OG 3.2Å; N26-A155 HydrophobicContact CB-CB 3.8Å
27L98.3Very high96.1Very high3 Ų335.5 Ų35.52%0.01619%0.191CC..Hα-helixtrans-64.2-43.8170.2-73170.7000110.7G23 K24 R30 F31 V90 V122 N124 A155 V161 F165G23-L27 PolarHBondContact O-N 3.05Å; K24-L27 WeakPolarHBondContact O-CB 3.42Å; K24-L27 PolarHBondContact O-N 3.14Å; K24-L27 VanDerWaalsContact O-N 3.13Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.96Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 4.12Å; L27-V122 HydrophobicContact CD1-CG1 4.31Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; L27-A155 HydrophobicContact CD2-CB 3.99Å; L27-A155 HydrophobicContact CG-CB 4.27Å; L27-V161 HydrophobicContact CD2-CG1 4.29Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; L27-F165 HydrophobicContact CB-CE2 4.49Å
28L97.5Very high95.7Very high2 Ų242.3 Ų42.31%0.0123%0.226CC..Hα-helixtrans-61.3-50.9177.2-17859.7000111.8L16 K24 S25 F31 T32 E47 A49 I64 D66L16-L28 HydrophobicContact CD1-CB 3.89Å; K24-L28 PolarHBondContact O-N 2.94Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.4Å; L28-F31 PolarHBondContact O-N 3.06Å; L28-T32 HydrophobicContact CD1-CG2 3.85Å; L28-T32 WeakPolarHBondContact O-CB 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.1Å; L28-T32 PolarHBondContact O-N 3.26Å; L28-T32 PolarHBondContact O-OG1 3.05Å; L28-E47 HydrophobicContact CD2-CB 4.49Å; L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.23Å; L28-A49 HydrophobicContact CG-CB 4.24Å; L28-I64 HydrophobicContact CD1-CB 3.65Å; L28-I64 HydrophobicContact CD1-CD1 4.22Å; L28-I64 HydrophobicContact CD1-CG2 3.52Å; L28-D66 HydrophobicContact CD2-CB 3.63Å
29S96.3Very high95.2Very high11 Ų1150 Ų508%0.07726%0.262CS..Hα-helixtrans-66.8-37.8-179.765.80000111.8S25 N26 T32 R33 N34 E35S25-S29 PolarHBondContact O-N 3.31Å; S25-S29 PolarHBondContact O-OG 2.87Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-OG 2.86Å; S29-T32 PolarHBondContact O-N 3.46Å; S29-R33 CarbonylContact O-C 3.33Å; S29-R33 WeakPolarHBondContact O-CA 3.49Å; S29-R33 PolarHBondContact O-N 2.78Å; S29-N34 PolarHBondContact O-N 3.02Å; S29-N34 VanDerWaalsContact O-N 3.15Å; S29-E35 CarbonylContact C-O 3.59Å; S29-E35 VanDerWaalsContact C-O 3.25Å; S29-E35 WeakPolarHBondContact CB-O 3.43Å; S29-E35 PolarHBondContact O-N 3.28Å; S29-E35 PolarHBondContact OG-O 3.03Å
30R97.7Very high94.5Very high44 Ų4451.6 Ų51.617%0.16628%0.275CS..Hα-helixtrans-65.2-43.8176.8179.76173.3-1697.3110.7N26 L27 N34 E35 A155 L156 V161N26-R30 WeakPolarHBondContact O-CB 3.31Å; N26-R30 PolarHBondContact O-N 3.08Å; L27-R30 PolarHBondContact O-N 3.31Å; R30-N34 WeakPolarHBondContact CD-OD1 3.34Å; R30-N34 PolarHBondContact NH1-O 2.82Å; R30-N34 PolarHBondContact NH1-OD1 3.17Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.25Å; R30-N34 VanDerWaalsContact O-N 3.12Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.46Å; R30-E35 PolarHBondContact N-O 3.21Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.05Å; R30-L156 PolarHBondContact NH2-O 3.42Å; R30-V161 HydrophobicContact CB-CG1 4.22Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.94Å; R30-V161 HydrophobicContact CG-CG2 4.05Å
31F98Very high94.1Very high4 Ų458.6 Ų58.62%0.01830%0.3CS..Hα-helixtrans-68-46.4175.7-178.8-114.9000111.7L27 L28 R51 I53 I64 V161 F165L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.42Å; L27-F31 PolarHBondContact O-N 2.96Å; L28-F31 PolarHBondContact O-N 3.06Å; F31-R51 HydrophobicContact CE1-CB 3.9Å; F31-R51 HydrophobicContact CE1-CG 4.17Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.32Å; F31-R51 WeakPolarHBondContact O-CD 3.34Å; F31-R51 PolarHBondContact O-NH1 2.81Å; F31-I53 HydrophobicContact CZ-CG2 4.17Å; F31-I64 HydrophobicContact CD1-CD1 3.48Å; F31-I64 VanDerWaalsContact CD1-CD1 3.48Å; F31-I64 HydrophobicContact CE1-CD1 3.48Å; F31-I64 VanDerWaalsContact CE1-CD1 3.48Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; F31-F165 HydrophobicContact CB-CD2 3.61Å; F31-F165 HydrophobicContact CB-CE2 3.54Å; F31-F165 HydrophobicContact CB-CG 4.36Å; F31-F165 HydrophobicContact CB-CZ 4.23Å; F31-F165 HydrophobicContact CD1-CB 4.24Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.2Å; F31-F165 AromaticContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CZ 4.37Å; F31-F165 HydrophobicContact CD2-CB 3.69Å; F31-F165 AromaticContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CE2 4.36Å; F31-F165 AromaticContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CE1-CB 3.95Å; F31-F165 HydrophobicContact CE1-CD1 4.02Å; F31-F165 HydrophobicContact CE1-CD2 4.46Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE2-CB 3.37Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CG-CB 4.12Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.39Å; F31-F165 HydrophobicContact CG-CD2 3.39Å; F31-F165 AromaticContact CG-CE2 3.79Å; F31-F165 HydrophobicContact CG-CE2 3.79Å; F31-F165 AromaticContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CZ 4.39Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.45Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å
32T96.3Very high93.7Very high29 Ų2959.2 Ų59.218%0.17830%0.297CS..Hα-helixtrans-84.6-30.4-169.455.50000114.4L28 S29 A49 R51L28-T32 HydrophobicContact CD1-CG2 3.85Å; L28-T32 WeakPolarHBondContact O-CB 3.11Å; L28-T32 WeakPolarHBondContact O-CG2 3.1Å; L28-T32 PolarHBondContact O-N 3.26Å; L28-T32 PolarHBondContact O-OG1 3.05Å; S29-T32 PolarHBondContact O-N 3.46Å; T32-A49 HydrophobicContact CG2-CB 3.78Å; T32-R51 HydrophobicContact CG2-CB 4.32Å
33R95Very high92.9Very high127 Ų12760 Ų6048%0.47930%0.302SS..Hα-helixtrans-132.21-172.9-61-172.6-62-84.72.8114S29 E35S29-R33 CarbonylContact O-C 3.33Å; S29-R33 WeakPolarHBondContact O-CA 3.49Å; S29-R33 PolarHBondContact O-N 2.78Å; R33-E35 HydrophobicContact CB-CB 4.32Å; R33-E35 HydrophobicContact CB-CG 3.89Å; R33-E35 IonicContact CZ-OE2 3.06Å; R33-E35 IonicContact NE-OE1 2.64Å; R33-E35 IonicContact NE-OE2 3.91Å; R33-E35 PolarHBondContact NE-OE2 2.77Å; R33-E35 IonicContact NH2-OE2 2.86Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-E35 PolarHBondContact O-N 3.31Å
34N96.2Very high91.9Very high112 Ų11265.8 Ų65.860%0.59933%0.329SS*.SBendtrans54.737.1-170.5-164.623.4000113.2S29 R30S29-N34 PolarHBondContact O-N 3.02Å; S29-N34 VanDerWaalsContact O-N 3.15Å; R30-N34 WeakPolarHBondContact CD-OD1 3.34Å; R30-N34 PolarHBondContact NH1-O 2.82Å; R30-N34 PolarHBondContact NH1-OD1 3.17Å; R30-N34 WeakPolarHBondContact O-CA 3.47Å; R30-N34 PolarHBondContact O-N 3.25Å; R30-N34 VanDerWaalsContact O-N 3.12Å
35E95.8Very high90.8Very high98 Ų9866.4 Ų66.446%0.45834%0.337SS..  trans-111.4145.3-179-72.6170.8-179.100111.4S29 R30 R33S29-E35 CarbonylContact C-O 3.59Å; S29-E35 VanDerWaalsContact C-O 3.25Å; S29-E35 WeakPolarHBondContact CB-O 3.43Å; S29-E35 PolarHBondContact O-N 3.28Å; S29-E35 PolarHBondContact OG-O 3.03Å; R30-E35 VanDerWaalsContact CA-O 3.29Å; R30-E35 WeakPolarHBondContact CA-O 3.46Å; R30-E35 PolarHBondContact N-O 3.21Å; R33-E35 HydrophobicContact CB-CB 4.32Å; R33-E35 HydrophobicContact CB-CG 3.89Å; R33-E35 IonicContact CZ-OE2 3.06Å; R33-E35 IonicContact NE-OE1 2.64Å; R33-E35 IonicContact NE-OE2 3.91Å; R33-E35 PolarHBondContact NE-OE2 2.77Å; R33-E35 IonicContact NH2-OE2 2.86Å; R33-E35 PolarHBondContact NH2-OE2 3.45Å; R33-E35 PolarHBondContact O-N 3.31Å
36F95.5Very high90.3Very high64 Ų6466.9 Ų66.928%0.28134%0.339SS..  trans-136134.4171.3174.9-91.2000110N26 L38 A155 L156N26-F36 HydrophobicContact CB-CD2 3.84Å; N26-F36 HydrophobicContact CB-CE2 3.96Å; F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.01Å; F36-L38 HydrophobicContact CZ-CD1 4.29Å; F36-A155 HydrophobicContact CD2-CB 4.01Å; F36-A155 WeakPolarHBondContact CD2-O 3.23Å; F36-A155 HydrophobicContact CE2-CB 4.15Å; F36-L156 HydrophobicContact CD1-CD1 3.82Å; F36-L156 HydrophobicContact CE1-CB 4.49Å; F36-L156 HydrophobicContact CE1-CD1 3.38Å; F36-L156 HydrophobicContact CE2-CB 4.07Å; F36-L156 HydrophobicContact CE2-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 4.03Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; F36-L156 HydrophobicContact CZ-CG 4.48Å
37N92.6Very high89.9Confident88 Ų8871 Ų7147%0.47136%0.358SS..  trans-116.4112.3175.8-174.7-1.2000110.1N26 E39 S40N26-N37 PolarHBondContact ND2-O 3.36Å; N26-N37 PolarHBondContact OD1-N 3.43Å; N26-N37 PolarHBondContact OD1-O 2.94Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.35Å; N37-E39 WeakPolarHBondContact OD1-CA 3.46Å; N37-E39 PolarHBondContact OD1-N 3.25Å; N37-S40 WeakPolarHBondContact O-CB 3.27Å; N37-S40 PolarHBondContact O-N 3.23Å
38L87.8Confident89.6Confident143 Ų14375.4 Ų75.475%0.74938%0.377SS*.THydrogen-bonded Turntrans-65.4-32.4176.4-171.966.3000111.9F36 S40F36-L38 HydrophobicContact CE1-CB 3.97Å; F36-L38 HydrophobicContact CE1-CD1 4.01Å; F36-L38 HydrophobicContact CZ-CD1 4.29Å; L38-S40 PolarHBondContact O-N 2.97Å
39E84.8Confident89.4Confident162 Ų16275.9 Ų75.976%0.75738%0.382SS*.THydrogen-bonded Turntrans-91.524.7178.3-58.3-173.6172.500112.2N37 K41N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 PolarHBondContact O-N 3.35Å; N37-E39 WeakPolarHBondContact OD1-CA 3.46Å; N37-E39 PolarHBondContact OD1-N 3.25Å; E39-K41 PolarHBondContact O-N 3.23Å
40S81.8Confident89.4Confident54 Ų5478 Ų7838%0.37839%0.394SS..PPolyproline II helixtrans-55.1116.1177.963.70000110.4N26 N37 L38N26-S40 PolarHBondContact ND2-OG 3.2Å; N37-S40 WeakPolarHBondContact O-CB 3.27Å; N37-S40 PolarHBondContact O-N 3.23Å; L38-S40 PolarHBondContact O-N 2.97Å
41K83.9Confident89.3Confident191 Ų19179.5 Ų79.583%0.8340%0.4SS*.PPolyproline II helixtrans-77164175.1-64-177.5-178.6176.40110.2E39 T43E39-K41 PolarHBondContact O-N 3.23Å; K41-T43 PolarHBondContact O-N 2.81Å
42S85.2Confident89.2Confident56 Ų5681.8 Ų81.839%0.39242%0.416SS..PPolyproline II helixtrans-57.8124.5170.3-70.10000110.6S20 I44S20-S42 PolarHBondContact OG-OG 3.2Å; S42-I44 PolarHBondContact O-N 2.84Å
43T81.1Confident89.2Confident17 Ų1780.8 Ų80.810%0.10441%0.41CS..PPolyproline II helixtrans-55.9128.2172.1-39.90000110.2S25 K41 E47 D66 A68S25-T43 PolarHBondContact OG-OG1 3.42Å; K41-T43 PolarHBondContact O-N 2.81Å; T43-E47 HydrophobicContact CG2-CG 4.1Å; T43-D66 PolarHBondContact OG1-OD2 3.46Å; T43-A68 WeakPolarHBondContact O-CB 3.43Å
44I75.2Confident89.3Confident132 Ų13280.3 Ų80.368%0.67741%0.413SS*.  trans-104.6117.2172-61.5175.2000106.5S42S42-I44 PolarHBondContact O-N 2.84Å
45G75.2Confident89.2Confident20 Ų2075.4 Ų75.421%0.20639%0.387CS..SBendtrans80.6-132.4-174.300000112.6A68G45-A68 VanDerWaalsContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.31Å; G45-A68 PolarHBondContact O-N 2.83Å
46V84.9Confident89.1Confident35 Ų3576.3 Ų76.321%0.21240%0.395CS..EExtended strand (participates in β ladder)trans-138.7131.4-173.9-179.60000110.1W65 D66 Y80V46-W65 HydrophobicContact CG1-CB 4.28Å; V46-W65 HydrophobicContact CG1-CE3 3.71Å; V46-D66 CarbonylContact C-O 3.52Å; V46-D66 VanDerWaalsContact CA-O 3.3Å; V46-D66 WeakPolarHBondContact CA-O 3.44Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.22Å; V46-Y80 HydrophobicContact CG1-CD1 4.1Å; V46-Y80 HydrophobicContact CG1-CE1 3.91Å; V46-Y80 HydrophobicContact CG2-CD1 4.39Å; V46-Y80 HydrophobicContact CG2-CD2 3.71Å; V46-Y80 HydrophobicContact CG2-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.23Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.49Å
47E89Confident89Confident98 Ų9876.5 Ų76.546%0.45842%0.415SS..EExtended strand (participates in β ladder)trans-98145.6169.4-67-169.6176.100110.3L28 T43 W65 D66L28-E47 HydrophobicContact CD2-CB 4.49Å; T43-E47 HydrophobicContact CG2-CG 4.1Å; E47-W65 CarbonylContact O-C 3.46Å; E47-W65 WeakPolarHBondContact O-CA 3.24Å; E47-D66 HydrophobicContact CB-CB 4.23Å; E47-D66 PolarHBondContact N-O 3Å; E47-D66 PolarHBondContact O-N 2.81Å
48F91Very high89.2Confident97 Ų9775.8 Ų75.843%0.42541%0.408SS..EExtended strand (participates in β ladder)trans-126.6133-178.1169.8-98.9000109.7T50 Q63 W65F48-T50 WeakPolarHBondContact CZ-OG1 3.5Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.82Å; F48-Q63 HydrophobicContact CZ-CB 4.4Å; F48-Q63 HydrophobicContact CZ-CG 3.95Å; F48-W65 HydrophobicContact CB-CE3 4.24Å; F48-W65 HydrophobicContact CB-CZ3 4.3Å; F48-W65 AromaticContact CD2-CD2 3.79Å; F48-W65 HydrophobicContact CD2-CD2 3.79Å; F48-W65 AromaticContact CD2-CE2 3.55Å; F48-W65 HydrophobicContact CD2-CE3 4.07Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ3 4.19Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 HydrophobicContact CE2-CH2 4.5Å; F48-W65 AromaticContact CE2-CZ2 3.87Å; F48-W65 HydrophobicContact CE2-CZ2 3.87Å; F48-W65 AromaticContact CE2-NE1 3.96Å
49A95.2Very high89.6Confident12 Ų1270.4 Ų70.410%0.09938%0.381CS..EExtended strand (participates in β ladder)trans-140.6156.5168.600000110.8L28 T32 I64L28-A49 HydrophobicContact CD1-CB 3.99Å; L28-A49 HydrophobicContact CD2-CB 4.23Å; L28-A49 HydrophobicContact CG-CB 4.24Å; T32-A49 HydrophobicContact CG2-CB 3.78Å; A49-I64 PolarHBondContact N-O 2.86Å; A49-I64 PolarHBondContact O-N 3.45Å
50T95.8Very high90.2Very high55 Ų5562.7 Ų62.734%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-121.2140.2176.9-62.30000109.9F48 K61 A62F48-T50 WeakPolarHBondContact CZ-OG1 3.5Å; T50-K61 HydrophobicContact CG2-CD 4.07Å; T50-K61 HydrophobicContact CG2-CG 3.44Å; T50-K61 VanDerWaalsContact CG2-CG 3.44Å; T50-A62 CarbonylContact C-O 3.55Å; T50-A62 VanDerWaalsContact CA-O 3.23Å; T50-A62 WeakPolarHBondContact CA-O 3.3Å
51R95.7Very high90.9Very high75 Ų7561.7 Ų61.728%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-142.1134.3169.3-174168.3175.8-155.6-12109.8F31 T32 A62 E162F31-R51 HydrophobicContact CE1-CB 3.9Å; F31-R51 HydrophobicContact CE1-CG 4.17Å; F31-R51 HydrophobicContact CZ-CB 4.49Å; F31-R51 HydrophobicContact CZ-CG 4.32Å; F31-R51 WeakPolarHBondContact O-CD 3.34Å; F31-R51 PolarHBondContact O-NH1 2.81Å; T32-R51 HydrophobicContact CG2-CB 4.32Å; R51-A62 PolarHBondContact N-O 2.87Å; R51-A62 WeakPolarHBondContact O-CB 3.47Å; R51-A62 PolarHBondContact O-N 3.17Å; R51-E162 IonicContact CZ-OE1 2.71Å; R51-E162 IonicContact CZ-OE2 2.73Å; R51-E162 IonicContact NH1-OE1 3.55Å; R51-E162 IonicContact NH1-OE2 2.91Å; R51-E162 PolarHBondContact NH1-OE2 2.94Å; R51-E162 IonicContact NH2-OE1 3.04Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.33Å; R51-E162 PolarHBondContact NH2-OE2 2.92Å
52S96Very high91.6Very high52 Ų5252.6 Ų52.636%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-92.2137.7173.1-60.60000110.3I60S52-I60 CarbonylContact C-O 3.59Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.5Å
53I96Very high92.2Very high9 Ų952.3 Ų52.35%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-130.1162.4174.866.6159.5000110.2F31 V55 I60 Q166 L169F31-I53 HydrophobicContact CZ-CG2 4.17Å; I53-V55 HydrophobicContact CD1-CG2 3.68Å; I53-V55 HydrophobicContact CG1-CG2 4.28Å; I53-I60 HydrophobicContact CG1-CB 3.98Å; I53-I60 PolarHBondContact N-O 2.83Å; I53-I60 PolarHBondContact O-N 2.91Å; I53-Q166 VanDerWaalsContact CD1-OE1 3.29Å; I53-L169 HydrophobicContact CD1-CB 3.64Å; I53-L169 HydrophobicContact CD1-CD1 3.44Å; I53-L169 VanDerWaalsContact CD1-CD1 3.44Å; I53-L169 HydrophobicContact CD1-CG 4.17Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å
54Q96.3Very high92.9Very high117 Ų11751.5 Ų51.555%0.54728%0.282SS..EExtended strand (participates in β ladder)trans-106.2125.8175.1-67.7-63.8-33.200110K58 T59Q54-K58 WeakPolarHBondContact CA-O 3.29Å; Q54-K58 PolarHBondContact OE1-O 2.85Å; Q54-T59 PolarHBondContact NE2-OG1 2.83Å
55V95.4Very high93.9Very high9 Ų948 Ų486%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-135.4123.9174.9178.10000108.2I53 G57 K58 I60 T170 Y173I53-V55 HydrophobicContact CD1-CG2 3.68Å; I53-V55 HydrophobicContact CG1-CG2 4.28Å; V55-G57 PolarHBondContact O-N 3.35Å; V55-G57 VanDerWaalsContact O-N 3.13Å; V55-K58 PolarHBondContact N-O 2.76Å; V55-K58 WeakPolarHBondContact O-CA 3.46Å; V55-K58 VanDerWaalsContact O-CB 3.31Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 3.03Å; V55-I60 HydrophobicContact CB-CD1 3.62Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.58Å; V55-T170 HydrophobicContact CG1-CG2 3.93Å; V55-Y173 HydrophobicContact CB-CD1 4.48Å; V55-Y173 HydrophobicContact CG1-CD1 3.61Å; V55-Y173 HydrophobicContact CG1-CE1 4.14Å; V55-Y173 HydrophobicContact CG1-CG 4.22Å
56D92.6Very high94.7Very high116 Ų11647 Ų4762%0.6225%0.25SS*.THydrogen-bonded Turntrans49.639179.8-59.8-15000114.1K58 Y173D56-K58 PolarHBondContact O-N 2.86Å; D56-Y173 HydrophobicContact CB-CE1 3.8Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.39Å
57G93.9Very high94.8Very high69 Ų6945.3 Ų45.371%0.71124%0.24SC*.THydrogen-bonded Turntrans72.910.7-178.100000114.8V55V55-G57 PolarHBondContact O-N 3.35Å; V55-G57 VanDerWaalsContact O-N 3.13Å
58K95.9Very high94.6Very high72 Ų7240.7 Ų40.731%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-107.3138.7176.2-62.6-62-171.41800111.3D9 Y10 Q54 V55 D56 Y173D9-K58 HydrophobicContact CB-CB 4.19Å; D9-K58 HydrophobicContact CB-CD 3.91Å; D9-K58 VanDerWaalsContact CG-CD 3.41Å; D9-K58 VanDerWaalsContact OD1-CD 3.29Å; D9-K58 WeakPolarHBondContact OD1-CD 3.3Å; D9-K58 IonicContact OD1-NZ 3.84Å; D9-K58 PolarHBondContact OD1-NZ 2.86Å; D9-K58 WeakPolarHBondContact OD2-CA 3.34Å; Y10-K58 HydrophobicContact CD2-CB 4.25Å; Y10-K58 HydrophobicContact CE2-CB 4.16Å; Y10-K58 HydrophobicContact CE2-CD 4.33Å; Y10-K58 HydrophobicContact CE2-CG 4.09Å; Q54-K58 WeakPolarHBondContact CA-O 3.29Å; Q54-K58 PolarHBondContact OE1-O 2.85Å; V55-K58 PolarHBondContact N-O 2.76Å; V55-K58 WeakPolarHBondContact O-CA 3.46Å; V55-K58 VanDerWaalsContact O-CB 3.31Å; V55-K58 WeakPolarHBondContact O-CB 3.35Å; V55-K58 PolarHBondContact O-N 3.03Å; D56-K58 PolarHBondContact O-N 2.86Å; K58-Y173 HydrophobicContact CB-CE2 4.22Å; K58-Y173 HydrophobicContact CG-CE2 4.04Å; K58-Y173 WeakPolarHBondContact CG-OH 3.32Å
59T96.8Very high93.9Very high30 Ų3036.5 Ų36.518%0.18420%0.202CC..EExtended strand (participates in β ladder)trans-86.2112.4175.2-53.60000109.3D9 Y10 Q54D9-T59 PolarHBondContact N-O 3.16Å; D9-T59 PolarHBondContact OD2-N 2.95Å; Y10-T59 PolarHBondContact N-O 2.95Å; Q54-T59 PolarHBondContact NE2-OG1 2.83Å
60I97.6Very high93.1Very high0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-102.1117.1175.3-58.8173.3000108.4F12 S52 I53 V55 L169 Y173F12-I60 HydrophobicContact CB-CG2 4.44Å; F12-I60 HydrophobicContact CD2-CD1 4.48Å; F12-I60 HydrophobicContact CD2-CG2 3.36Å; F12-I60 HydrophobicContact CE2-CD1 3.89Å; F12-I60 HydrophobicContact CE2-CG1 4.26Å; F12-I60 HydrophobicContact CE2-CG2 3.73Å; F12-I60 HydrophobicContact CG-CG2 4.03Å; S52-I60 CarbonylContact C-O 3.59Å; S52-I60 VanDerWaalsContact CA-O 3.27Å; S52-I60 WeakPolarHBondContact CA-O 3.5Å; I53-I60 HydrophobicContact CG1-CB 3.98Å; I53-I60 PolarHBondContact N-O 2.83Å; I53-I60 PolarHBondContact O-N 2.91Å; V55-I60 HydrophobicContact CB-CD1 3.62Å; V55-I60 HydrophobicContact CB-CG1 4.5Å; V55-I60 HydrophobicContact CG1-CD1 4.34Å; V55-I60 HydrophobicContact CG2-CD1 3.58Å; I60-L169 HydrophobicContact CG2-CD2 4.42Å; I60-Y173 HydrophobicContact CD1-CD2 4.29Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å
61K97.4Very high91.9Very high33 Ų3341.2 Ų41.214%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-88.9107.4169.7-167.1163.6-171.6161.40108.6D6 Y8 Y10 L11 F12 T50D6-K61 IonicContact OD1-NZ 3.02Å; D6-K61 PolarHBondContact OD1-NZ 3Å; Y8-K61 HydrophobicContact CD1-CB 3.95Å; Y8-K61 HydrophobicContact CD1-CD 3.41Å; Y8-K61 VanDerWaalsContact CD1-CD 3.41Å; Y8-K61 HydrophobicContact CD1-CG 4.32Å; Y8-K61 HydrophobicContact CD2-CB 4.43Å; Y8-K61 HydrophobicContact CE1-CD 3.82Å; Y8-K61 HydrophobicContact CG-CB 3.79Å; Y8-K61 HydrophobicContact CG-CD 4.15Å; Y10-K61 PolarHBondContact O-N 3.29Å; L11-K61 WeakPolarHBondContact CA-O 3.46Å; L11-K61 HydrophobicContact CD1-CB 3.92Å; L11-K61 HydrophobicContact CD1-CD 4.27Å; L11-K61 HydrophobicContact CD1-CG 3.95Å; F12-K61 PolarHBondContact N-O 2.91Å; T50-K61 HydrophobicContact CG2-CD 4.07Å; T50-K61 HydrophobicContact CG2-CG 3.44Å; T50-K61 VanDerWaalsContact CG2-CG 3.44Å
62A97.7Very high90.9Very high0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-88.4121.6177.400000110.2F12 T50 R51 I64 L169F12-A62 CarbonylContact O-C 3.25Å; F12-A62 WeakPolarHBondContact O-CA 3.22Å; T50-A62 CarbonylContact C-O 3.55Å; T50-A62 VanDerWaalsContact CA-O 3.23Å; T50-A62 WeakPolarHBondContact CA-O 3.3Å; R51-A62 PolarHBondContact N-O 2.87Å; R51-A62 WeakPolarHBondContact O-CB 3.47Å; R51-A62 PolarHBondContact O-N 3.17Å; A62-I64 HydrophobicContact CB-CD1 4.43Å; A62-I64 HydrophobicContact CB-CG1 4.25Å; A62-L169 HydrophobicContact CB-CD1 3.72Å; A62-L169 HydrophobicContact CB-CD2 3.73Å; A62-L169 HydrophobicContact CB-CG 4.41Å
63Q97.2Very high90.1Very high51 Ų5146.7 Ų46.724%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-95.6107.6168.6-76.6-172.2-13.200108.9L11 F12 K13 V14 F48L11-Q63 HydrophobicContact CD1-CG 3.8Å; L11-Q63 HydrophobicContact CG-CG 4.46Å; F12-Q63 PolarHBondContact O-N 3.37Å; K13-Q63 WeakPolarHBondContact CA-O 3.1Å; V14-Q63 PolarHBondContact N-O 2.93Å; F48-Q63 HydrophobicContact CE2-CB 3.8Å; F48-Q63 HydrophobicContact CE2-CG 3.82Å; F48-Q63 HydrophobicContact CZ-CB 4.4Å; F48-Q63 HydrophobicContact CZ-CG 3.95Å
64I97.3Very high88.9Confident0 Ų049.3 Ų49.30%024%0.241CC..EExtended strand (participates in β ladder)trans-109.2123.8-174.2-51.9163.8000109.1V14 L16 L28 F31 A49 A62 F165V14-I64 HydrophobicContact CB-CG1 4.49Å; V14-I64 WeakPolarHBondContact O-CA 3.28Å; L16-I64 HydrophobicContact CD1-CG2 4.1Å; L16-I64 HydrophobicContact CD2-CG2 4Å; L16-I64 HydrophobicContact CG-CG2 3.85Å; L28-I64 HydrophobicContact CD1-CB 3.65Å; L28-I64 HydrophobicContact CD1-CD1 4.22Å; L28-I64 HydrophobicContact CD1-CG2 3.52Å; F31-I64 HydrophobicContact CD1-CD1 3.48Å; F31-I64 VanDerWaalsContact CD1-CD1 3.48Å; F31-I64 HydrophobicContact CE1-CD1 3.48Å; F31-I64 VanDerWaalsContact CE1-CD1 3.48Å; A49-I64 PolarHBondContact N-O 2.86Å; A49-I64 PolarHBondContact O-N 3.45Å; A62-I64 HydrophobicContact CB-CD1 4.43Å; A62-I64 HydrophobicContact CB-CG1 4.25Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.63Å; I64-F165 HydrophobicContact CD1-CZ 4.47Å; I64-F165 HydrophobicContact CG1-CE1 4.31Å; I64-F165 HydrophobicContact CG2-CE1 4.05Å
65W95.2Very high87.8Confident57 Ų5747.9 Ų47.922%0.21625%0.249CC..EExtended strand (participates in β ladder)trans-109110.4-178.1-60.378.6000109.1V14 V15 L16 V46 E47 F48 Y80V14-W65 PolarHBondContact O-N 2.72Å; V15-W65 HydrophobicContact CG1-CB 4.23Å; L16-W65 PolarHBondContact N-O 2.82Å; V46-W65 HydrophobicContact CG1-CB 4.28Å; V46-W65 HydrophobicContact CG1-CE3 3.71Å; E47-W65 CarbonylContact O-C 3.46Å; E47-W65 WeakPolarHBondContact O-CA 3.24Å; F48-W65 HydrophobicContact CB-CE3 4.24Å; F48-W65 HydrophobicContact CB-CZ3 4.3Å; F48-W65 AromaticContact CD2-CD2 3.79Å; F48-W65 HydrophobicContact CD2-CD2 3.79Å; F48-W65 AromaticContact CD2-CE2 3.55Å; F48-W65 HydrophobicContact CD2-CE3 4.07Å; F48-W65 HydrophobicContact CD2-CG 4.35Å; F48-W65 HydrophobicContact CD2-CH2 4.03Å; F48-W65 AromaticContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ2 3.71Å; F48-W65 HydrophobicContact CD2-CZ3 4.19Å; F48-W65 AromaticContact CD2-NE1 3.92Å; F48-W65 AromaticContact CE2-CE2 3.86Å; F48-W65 HydrophobicContact CE2-CH2 4.5Å; F48-W65 AromaticContact CE2-CZ2 3.87Å; F48-W65 HydrophobicContact CE2-CZ2 3.87Å; F48-W65 AromaticContact CE2-NE1 3.96Å; W65-Y80 HydrophobicContact CD2-CD1 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CH2-CE1 4.49Å; W65-Y80 AromaticContact CZ3-CD1 3.86Å; W65-Y80 HydrophobicContact CZ3-CD1 3.86Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å
66D92.6Very high86.8Confident0 Ų051.4 Ų51.40%027%0.267CS..EExtended strand (participates in β ladder)trans-84.1117.3171176.140.5000109.9L16 K24 S25 L28 T43 V46 E47L16-D66 HydrophobicContact CD1-CB 4.28Å; K24-D66 WeakPolarHBondContact CB-OD1 3.28Å; S25-D66 WeakPolarHBondContact CA-OD2 3.48Å; S25-D66 VanDerWaalsContact CB-OD2 3.23Å; S25-D66 WeakPolarHBondContact CB-OD2 3.25Å; S25-D66 PolarHBondContact OG-OD2 3.34Å; L28-D66 HydrophobicContact CD2-CB 3.63Å; T43-D66 PolarHBondContact OG1-OD2 3.46Å; V46-D66 CarbonylContact C-O 3.52Å; V46-D66 VanDerWaalsContact CA-O 3.3Å; V46-D66 WeakPolarHBondContact CA-O 3.44Å; V46-D66 WeakPolarHBondContact CG1-O 3.45Å; E47-D66 HydrophobicContact CB-CB 4.23Å; E47-D66 PolarHBondContact N-O 3Å; E47-D66 PolarHBondContact O-N 2.81Å
67T87.1Confident86.1Confident0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-97.7147.3-175.267.60000112.3L16 K24 G69 T77L16-T67 PolarHBondContact O-N 2.95Å; L16-T67 PolarHBondContact O-OG1 3.23Å; K24-T67 WeakPolarHBondContact CE-O 3.27Å; T67-G69 PolarHBondContact O-N 3.36Å; T67-T77 HydrophobicContact CG2-CG2 3.96Å
68A84.5Confident85.4Confident0 Ų044 Ų440%021%0.214CC..PPolyproline II helixtrans-61.2127.7171.100000111.1T43 G45 Y73 T77T43-A68 WeakPolarHBondContact O-CB 3.43Å; G45-A68 VanDerWaalsContact O-CB 3.24Å; G45-A68 WeakPolarHBondContact O-CB 3.31Å; G45-A68 PolarHBondContact O-N 2.83Å; A68-Y73 HydrophobicContact CB-CD2 3.69Å; A68-Y73 HydrophobicContact CB-CG 4.16Å; A68-T77 PolarHBondContact O-OG1 2.74Å
69G75.5Confident84.9Confident9 Ų943.9 Ų43.99%0.09323%0.226CC..  trans-89.46.6178.800000114.7G18 S20 T67G18-G69 VanDerWaalsContact O-CA 3.26Å; G18-G69 WeakPolarHBondContact O-CA 3.24Å; S20-G69 PolarHBondContact N-O 3.1Å; S20-G69 VanDerWaalsContact N-O 3.09Å; T67-G69 PolarHBondContact O-N 3.36Å
70Q78.2Confident84.5Confident49 Ų4945.6 Ų45.623%0.22923%0.229CC..SBendtrans-85.8140.6175.8-70.6-171.94100110.7R72 Y73Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.22Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.1Å; Q70-Y73 HydrophobicContact CB-CD2 3.92Å; Q70-Y73 HydrophobicContact CB-CE2 4.35Å; Q70-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 VanDerWaalsContact O-N 3.09Å
71E70.5Confident84.3Confident117 Ų11745.6 Ų45.655%0.54723%0.229SC..G310 helixtrans-57.7-39.6-178.7-173.1-8817600113.2Y73 R74E71-Y73 PolarHBondContact O-N 3.02Å; E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 VanDerWaalsContact O-CG 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.17Å; E71-R74 PolarHBondContact O-N 3.07Å
72R75.9Confident83.9Confident187 Ų18754 Ų5471%0.70626%0.26SS*.G310 helixtrans-60.5-15.5178.9-64.9-175.7-64.6166.90.8114.5Q70Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 3.22Å; Q70-R72 VanDerWaalsContact OE1-NH2 3.1Å
73Y78.2Confident83.7Confident55 Ų5555.8 Ų55.822%0.21628%0.278CS..G310 helixtrans-104.45.1177.7-59-53.4000113.6A68 Q70 E71 A75 I76 T77A68-Y73 HydrophobicContact CB-CD2 3.69Å; A68-Y73 HydrophobicContact CB-CG 4.16Å; Q70-Y73 HydrophobicContact CB-CD2 3.92Å; Q70-Y73 HydrophobicContact CB-CE2 4.35Å; Q70-Y73 PolarHBondContact O-N 3.04Å; Q70-Y73 VanDerWaalsContact O-N 3.09Å; E71-Y73 PolarHBondContact O-N 3.02Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.18Å; Y73-I76 HydrophobicContact CD1-CD1 4.27Å; Y73-I76 WeakPolarHBondContact O-CA 3.28Å; Y73-I76 WeakPolarHBondContact O-CB 3.34Å; Y73-I76 PolarHBondContact O-N 3.09Å; Y73-T77 PolarHBondContact O-N 3.06Å; Y73-T77 PolarHBondContact O-OG1 3.01Å
74R71Confident83.6Confident65 Ų6553.3 Ų53.325%0.24527%0.267CS..Hα-helixtrans-54.3-42.5-176.8-82.2-178.5-173.5162.112.1114.6E71 I76 T77 S78 E108E71-R74 WeakPolarHBondContact O-CB 3.37Å; E71-R74 VanDerWaalsContact O-CG 3.28Å; E71-R74 WeakPolarHBondContact O-CG 3.17Å; E71-R74 PolarHBondContact O-N 3.07Å; R74-I76 PolarHBondContact O-N 3.24Å; R74-T77 PolarHBondContact O-N 3.25Å; R74-S78 PolarHBondContact O-N 3.03Å; R74-E108 IonicContact NE-OE2 3.32Å
75A73.5Confident83.6Confident87 Ų8755.6 Ų55.672%0.71928%0.28SS*.Hα-helixtrans-61.6-28.4178.500000112.6Y73 S78Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A75 PolarHBondContact O-N 3.18Å; A75-S78 PolarHBondContact O-OG 2.99Å
76I75Confident83.8Confident82 Ų8252.9 Ų52.942%0.42127%0.27SS..Hα-helixtrans-78.1-43.4174-62.1173.8000109.2Y73 R74 S78 A79 Y80Y73-I76 HydrophobicContact CD1-CD1 4.27Å; Y73-I76 WeakPolarHBondContact O-CA 3.28Å; Y73-I76 WeakPolarHBondContact O-CB 3.34Å; Y73-I76 PolarHBondContact O-N 3.09Å; R74-I76 PolarHBondContact O-N 3.24Å; I76-S78 PolarHBondContact O-N 3.5Å; I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.02Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.39Å; I76-Y80 VanDerWaalsContact O-CE2 3.31Å; I76-Y80 WeakPolarHBondContact O-CE2 3.42Å
77T77.1Confident84Confident1 Ų152.9 Ų52.91%0.00627%0.27CS..Hα-helixtrans-59.5-42.8-178.7-55.50000113.1T67 A68 Y73 R74 A79 Y80 Y81 W105T67-T77 HydrophobicContact CG2-CG2 3.96Å; A68-T77 PolarHBondContact O-OG1 2.74Å; Y73-T77 PolarHBondContact O-N 3.06Å; Y73-T77 PolarHBondContact O-OG1 3.01Å; R74-T77 PolarHBondContact O-N 3.25Å; T77-A79 PolarHBondContact O-N 3.02Å; T77-Y80 PolarHBondContact O-N 2.97Å; T77-Y81 HydrophobicContact CG2-CE1 3.73Å; T77-Y81 VanDerWaalsContact CG2-OH 3.25Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.47Å; T77-W105 HydrophobicContact CG2-CZ3 4.37Å
78S79.8Confident84.6Confident30 Ų3052.9 Ų52.921%0.2127%0.27CS..Hα-helixtrans-61.5-30-177.364.50000113.6R74 A75 I76 Y80 Y81R74-S78 PolarHBondContact O-N 3.03Å; A75-S78 PolarHBondContact O-OG 2.99Å; I76-S78 PolarHBondContact O-N 3.5Å; S78-Y80 PolarHBondContact O-N 3.35Å; S78-Y81 PolarHBondContact O-N 3.37Å
79A85.7Confident85.2Confident69 Ų6952.9 Ų52.957%0.5727%0.27SS*.Hα-helixtrans-62.5-27.3175.300000112.8I76 T77I76-A79 WeakPolarHBondContact O-CB 3.48Å; I76-A79 PolarHBondContact O-N 3.02Å; T77-A79 PolarHBondContact O-N 3.02Å
80Y88Confident86.3Confident65 Ų6552.5 Ų52.526%0.25527%0.266SS..Hα-helixtrans-82.4-16.2-179.2-66-88.6000113.3K13 V46 W65 I76 T77 S78 R82K13-Y80 WeakPolarHBondContact CE-O 3.49Å; K13-Y80 PolarHBondContact NZ-O 3.42Å; V46-Y80 HydrophobicContact CB-CE1 4.1Å; V46-Y80 HydrophobicContact CB-CE2 4.22Å; V46-Y80 HydrophobicContact CG1-CD1 4.1Å; V46-Y80 HydrophobicContact CG1-CE1 3.91Å; V46-Y80 HydrophobicContact CG2-CD1 4.39Å; V46-Y80 HydrophobicContact CG2-CD2 3.71Å; V46-Y80 HydrophobicContact CG2-CE1 4.05Å; V46-Y80 HydrophobicContact CG2-CE2 3.33Å; V46-Y80 HydrophobicContact CG2-CG 4.23Å; V46-Y80 VanDerWaalsContact CG2-CZ 3.49Å; W65-Y80 HydrophobicContact CD2-CD1 4.15Å; W65-Y80 AromaticContact CE3-CD1 3.56Å; W65-Y80 HydrophobicContact CE3-CD1 3.56Å; W65-Y80 AromaticContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 3.64Å; W65-Y80 HydrophobicContact CH2-CE1 4.49Å; W65-Y80 AromaticContact CZ3-CD1 3.86Å; W65-Y80 HydrophobicContact CZ3-CD1 3.86Å; W65-Y80 AromaticContact CZ3-CE1 3.55Å; W65-Y80 HydrophobicContact CZ3-CE1 3.55Å; I76-Y80 HydrophobicContact CG2-CE2 3.78Å; I76-Y80 WeakPolarHBondContact O-CD2 3.39Å; I76-Y80 VanDerWaalsContact O-CE2 3.31Å; I76-Y80 WeakPolarHBondContact O-CE2 3.42Å; T77-Y80 PolarHBondContact O-N 2.97Å; S78-Y80 PolarHBondContact O-N 3.35Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.94Å
81Y92Very high87.3Confident0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-68.9-28.9177.4-58.4-24000112.6V15 I17 T77 S78 G83 A84 E108 L109 H112V15-Y81 HydrophobicContact CG2-CD1 4.31Å; I17-Y81 HydrophobicContact CG2-CD1 4.46Å; I17-Y81 HydrophobicContact CG2-CE1 3.52Å; T77-Y81 HydrophobicContact CG2-CE1 3.73Å; T77-Y81 VanDerWaalsContact CG2-OH 3.25Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.47Å; S78-Y81 PolarHBondContact O-N 3.37Å; Y81-G83 PolarHBondContact O-N 3.03Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.39Å; Y81-A84 PolarHBondContact O-N 3.16Å; Y81-E108 HydrophobicContact CE2-CG 3.99Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.27Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E108 PolarHBondContact OH-OE1 3.48Å; Y81-L109 HydrophobicContact CD1-CD1 3.76Å; Y81-L109 HydrophobicContact CD2-CD1 4.39Å; Y81-L109 HydrophobicContact CE1-CD1 4.16Å; Y81-L109 HydrophobicContact CG-CD1 3.9Å; Y81-H112 HydrophobicContact CD2-CB 3.77Å; Y81-H112 HydrophobicContact CG-CB 4.48Å
82R90.3Very high88.7Confident210 Ų21044.6 Ų44.679%0.79223%0.229SC*.THydrogen-bonded Turntrans-59.3125.5179.2-174.1174.7-179.6167.80.6111.2K13 Y80 A84K13-R82 PolarHBondContact NZ-O 2.96Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 2.94Å; R82-A84 PolarHBondContact O-N 3.35Å
83G92.7Very high89.7Confident37 Ų3735.7 Ų35.738%0.38120%0.196SC..THydrogen-bonded Turntrans70.49.1-179.300000114.5Y81Y81-G83 PolarHBondContact O-N 3.03Å
84A96.2Very high90.7Very high0 Ų034.1 Ų34.10%019%0.194CC..  trans-71127.6167.300000109K13 V15 Y81 R82 I117K13-A84 HydrophobicContact CG-CB 4.36Å; V15-A84 HydrophobicContact CG1-CB 3.89Å; V15-A84 HydrophobicContact CG2-CB 4.19Å; Y81-A84 VanDerWaalsContact O-CB 3.28Å; Y81-A84 WeakPolarHBondContact O-CB 3.39Å; Y81-A84 PolarHBondContact O-N 3.16Å; R82-A84 PolarHBondContact O-N 3.35Å; A84-I117 HydrophobicContact CB-CD1 4.03Å
85V97.2Very high92Very high47 Ų4736.4 Ų36.429%0.28521%0.205SC..SBendtrans-96.5-15.1176.8-65.80000111.9F12 K13 V118 I172F12-V85 HydrophobicContact CB-CG2 3.81Å; F12-V85 HydrophobicContact CD1-CG2 4.16Å; F12-V85 HydrophobicContact CG-CG2 4.13Å; K13-V85 WeakPolarHBondContact O-CG2 3.35Å; K13-V85 PolarHBondContact O-N 2.95Å; V85-V118 PolarHBondContact O-N 2.64Å; V85-I172 HydrophobicContact CB-CG2 4.07Å; V85-I172 HydrophobicContact CG2-CD1 4.3Å; V85-I172 HydrophobicContact CG2-CG2 3.81Å
86G98.1Very high93.1Very high0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-140.6154.4174.600000113.6K13 V14 V15 V118K13-G86 PolarHBondContact O-N 3.07Å; V14-G86 VanDerWaalsContact CA-O 3.29Å; V14-G86 WeakPolarHBondContact CA-O 3.31Å; V15-G86 PolarHBondContact N-O 3.2Å; G86-V118 CarbonylContact C-O 3.54Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å
87A98.2Very high94.2Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-139.8134.7170.500000112.1V15 L109 I117 V118 I119 M120 I168V15-A87 HydrophobicContact CG2-CB 3.73Å; V15-A87 VanDerWaalsContact O-CA 3.31Å; V15-A87 WeakPolarHBondContact O-CA 3.36Å; A87-L109 HydrophobicContact CB-CD1 4.24Å; A87-L109 HydrophobicContact CB-CD2 3.44Å; A87-L109 VanDerWaalsContact CB-CD2 3.44Å; A87-L109 HydrophobicContact CB-CG 4.49Å; A87-I117 HydrophobicContact CB-CD1 3.99Å; A87-V118 PolarHBondContact N-O 3.28Å; A87-I119 WeakPolarHBondContact O-CA 3.16Å; A87-M120 PolarHBondContact O-N 2.91Å; A87-I168 VanDerWaalsContact O-CD1 3.31Å; A87-I168 WeakPolarHBondContact O-CD1 3.2Å
88L98.7Very high95.2Very high1 Ų137.1 Ų37.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-96.2115162-60.3-172.3000108.6V15 L16 I17 V90 M120 V122 F165 I168V15-L88 PolarHBondContact O-N 3.31Å; L16-L88 HydrophobicContact CD2-CB 3.66Å; L16-L88 HydrophobicContact CD2-CD1 3.65Å; L16-L88 HydrophobicContact CD2-CG 3.85Å; I17-L88 PolarHBondContact N-O 3.37Å; L88-V90 HydrophobicContact CB-CG2 4.2Å; L88-M120 HydrophobicContact CD2-CB 3.72Å; L88-M120 HydrophobicContact CD2-CG 4.18Å; L88-M120 HydrophobicContact CD2-SD 3.89Å; L88-V122 HydrophobicContact CB-CG2 4.12Å; L88-V122 HydrophobicContact CD1-CG2 4.45Å; L88-V122 HydrophobicContact CD2-CG2 3.93Å; L88-V122 HydrophobicContact CG-CG2 4.4Å; L88-F165 HydrophobicContact CD1-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD2 4.5Å; L88-F165 HydrophobicContact CD1-CE1 3.58Å; L88-F165 HydrophobicContact CD1-CE2 4.11Å; L88-F165 HydrophobicContact CD1-CG 4.46Å; L88-F165 HydrophobicContact CD1-CZ 3.63Å; L88-I168 HydrophobicContact CD2-CB 4.3Å; L88-I168 HydrophobicContact CD2-CD1 3.64Å; L88-I168 HydrophobicContact CD2-CG2 4.05Å; L88-I168 HydrophobicContact CG-CD1 4.45Å
89L98.3Very high96.1Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-94.6103.2176.4176.554.3000108.9I17 V102 W105 L106 I119 M120 L121 V122I17-L89 HydrophobicContact CD1-CB 4.47Å; I17-L89 HydrophobicContact CD1-CD1 3.84Å; I17-L89 HydrophobicContact CG1-CB 4.25Å; I17-L89 HydrophobicContact CG1-CD1 3.77Å; L89-V102 HydrophobicContact CD1-CG1 4.38Å; L89-V102 HydrophobicContact CD2-CG1 3.48Å; L89-V102 VanDerWaalsContact CD2-CG1 3.48Å; L89-V102 HydrophobicContact CG-CG1 3.89Å; L89-W105 HydrophobicContact CD1-CB 3.5Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; L89-L106 HydrophobicContact CD2-CB 3.84Å; L89-L106 HydrophobicContact CD2-CD1 4.21Å; L89-I119 HydrophobicContact CB-CG2 4.35Å; L89-M120 PolarHBondContact N-O 3.43Å; L89-L121 HydrophobicContact CD2-CD1 4.34Å; L89-L121 HydrophobicContact CG-CD1 4.08Å; L89-V122 PolarHBondContact O-N 2.78Å
90V98.7Very high96.7Very high0 Ų038.5 Ų38.50%019%0.186CC..EExtended strand (participates in β ladder)trans-104.8133.5-165.5-167.50000111.5I17 V22 K24 L27 L88 V122 N124I17-V90 PolarHBondContact O-N 3.14Å; V22-V90 HydrophobicContact CB-CG1 4.31Å; V22-V90 HydrophobicContact CG2-CB 3.92Å; V22-V90 HydrophobicContact CG2-CG1 3.8Å; K24-V90 HydrophobicContact CG-CB 4.09Å; K24-V90 HydrophobicContact CG-CG2 4.15Å; L27-V90 HydrophobicContact CD1-CG1 3.85Å; L27-V90 HydrophobicContact CD1-CG2 4.12Å; L88-V90 HydrophobicContact CB-CG2 4.2Å; V90-V122 WeakPolarHBondContact CA-O 3.42Å; V90-V122 HydrophobicContact CG2-CB 4.27Å; V90-N124 HydrophobicContact CG1-CB 3.74Å
91Y98.7Very high97.2Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-128.5166.2168.173.9-83.5000110.9I93 Y99 V102 L121 V122 N124 V134 A139 F150Y91-I93 HydrophobicContact CE2-CG2 3.95Å; Y91-Y99 HydrophobicContact CD1-CD2 4.3Å; Y91-Y99 HydrophobicContact CD2-CD2 4.18Å; Y91-Y99 HydrophobicContact CD2-CG 4.42Å; Y91-Y99 HydrophobicContact CE1-CD2 4.28Å; Y91-Y99 HydrophobicContact CE2-CD2 4.16Å; Y91-Y99 HydrophobicContact CG-CD2 4.25Å; Y91-V102 HydrophobicContact CD1-CG2 4.29Å; Y91-V102 HydrophobicContact CG-CG2 4.33Å; Y91-L121 HydrophobicContact CD1-CD1 3.83Å; Y91-L121 HydrophobicContact CD1-CG 4.25Å; Y91-L121 HydrophobicContact CE1-CD1 4.03Å; Y91-L121 HydrophobicContact CE1-CD2 4.16Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; Y91-V122 WeakPolarHBondContact CD1-O 3.46Å; Y91-V122 PolarHBondContact N-O 3.46Å; Y91-N124 PolarHBondContact O-N 2.72Å; Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.8Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; Y91-A139 HydrophobicContact CE1-CB 4.23Å; Y91-A139 WeakPolarHBondContact OH-CB 3.3Å; Y91-F150 HydrophobicContact CE1-CE2 4.35Å
92D98.6Very high97.5Very high1 Ų136.8 Ų36.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-98.6119.2176.3-179.7-16.9000109.2V22 A94 K95 T98 K125V22-D92 HydrophobicContact CB-CB 4.36Å; V22-D92 HydrophobicContact CG1-CB 4.26Å; D92-A94 PolarHBondContact O-N 2.84Å; D92-A94 VanDerWaalsContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.13Å; D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.41Å; D92-K95 PolarHBondContact O-N 3.36Å; D92-T98 HydrophobicContact CB-CG2 4.38Å; D92-T98 PolarHBondContact N-OG1 2.98Å; D92-T98 PolarHBondContact O-OG1 3.46Å; D92-K125 WeakPolarHBondContact OD2-CD 3.48Å; D92-K125 WeakPolarHBondContact OD2-CE 3.32Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.13Å
93I98.7Very high97.8Very high0 Ų033.3 Ų33.30%017%0.174CC..THydrogen-bonded Turntrans-61.7-21-177.465.5148.7000113.5Y91 N124 K125 R132 A133 V134Y91-I93 HydrophobicContact CE2-CG2 3.95Å; I93-N124 PolarHBondContact N-O 3.04Å; I93-K125 WeakPolarHBondContact CD1-O 3.28Å; I93-K125 VanDerWaalsContact CG1-O 3.3Å; I93-K125 WeakPolarHBondContact CG1-O 3.25Å; I93-R132 HydrophobicContact CD1-CB 4.47Å; I93-A133 PolarHBondContact O-N 2.84Å; I93-V134 PolarHBondContact O-N 2.71Å; I93-V134 VanDerWaalsContact O-N 3.12Å
94A98.4Very high97.9Very high21 Ų2135.8 Ų35.817%0.17417%0.172CC..THydrogen-bonded Turntrans-90.9-3.4179.600000112.9D92 L128 L131D92-A94 PolarHBondContact O-N 2.84Å; D92-A94 VanDerWaalsContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.43Å; D92-A94 PolarHBondContact OD1-N 3.13Å; A94-L128 HydrophobicContact CB-CB 4.09Å; A94-L128 HydrophobicContact CB-CD1 3.93Å; A94-L131 VanDerWaalsContact CA-O 3.31Å; A94-L131 WeakPolarHBondContact CA-O 3.1Å; A94-L131 HydrophobicContact CB-CB 3.96Å; A94-L131 WeakPolarHBondContact CB-O 3.23Å
95K98Very high97.9Very high113 Ų11335.9 Ų35.949%0.49117%0.173SC..  trans-13196.1-177.5-62.4-175-178.5-1760111.6D92 L97 T98D92-K95 HydrophobicContact CB-CB 4.16Å; D92-K95 HydrophobicContact CB-CG 4.41Å; D92-K95 PolarHBondContact O-N 3.36Å; K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 2.55Å; K95-T98 HydrophobicContact CB-CG2 3.78Å; K95-T98 HydrophobicContact CD-CG2 4.35Å; K95-T98 WeakPolarHBondContact O-CB 3.45Å; K95-T98 PolarHBondContact O-N 2.9Å; K95-T98 PolarHBondContact O-OG1 3.25Å
96H97.9Very high97.9Very high68 Ų6833.9 Ų33.932%0.31516%0.16SC..Hα-helixtrans-51.7-42-178.6-169.4-91.7000113.9T98 Y99 E100 A133H96-T98 PolarHBondContact O-N 2.85Å; H96-T98 VanDerWaalsContact O-N 3.15Å; H96-Y99 WeakPolarHBondContact O-CA 3.38Å; H96-Y99 WeakPolarHBondContact O-CB 3.35Å; H96-Y99 PolarHBondContact O-N 3.4Å; H96-E100 VanDerWaalsContact CE1-CG 3.49Å; H96-E100 WeakPolarHBondContact CE1-CG 3.4Å; H96-E100 IonicContact CE1-OE1 3.65Å; H96-E100 PolarHBondContact CE1-OE1 2.89Å; H96-E100 VanDerWaalsContact ND1-CD 3.3Å; H96-E100 WeakPolarHBondContact ND1-CG 3.34Å; H96-E100 IonicContact ND1-OE1 3.79Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 IonicContact ND1-OE2 3Å; H96-E100 PolarHBondContact O-N 3.32Å; H96-A133 HydrophobicContact CB-CB 4.15Å
97L97.9Very high97.8Very high107 Ų10739.7 Ų39.756%0.5619%0.185SC*.Hα-helixtrans-56.5-34.1178.1-178.562.1000113.3K95 Y99 E100 N101K95-L97 VanDerWaalsContact C-N 3.28Å; K95-L97 PolarHBondContact O-N 2.55Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.07Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.34Å; L97-E100 PolarHBondContact O-N 2.97Å; L97-N101 WeakPolarHBondContact O-CB 2.92Å; L97-N101 VanDerWaalsContact O-CG 3.27Å; L97-N101 PolarHBondContact O-N 3.35Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.92Å
98T97.9Very high97.6Very high11 Ų1140.8 Ų40.87%0.06719%0.191CC..Hα-helixtrans-70.1-27.9178.570.50000112D19 V22 D92 K95 H96D19-T98 HydrophobicContact CB-CG2 4.2Å; V22-T98 HydrophobicContact CG1-CG2 3.86Å; D92-T98 HydrophobicContact CB-CG2 4.38Å; D92-T98 PolarHBondContact N-OG1 2.98Å; D92-T98 PolarHBondContact O-OG1 3.46Å; K95-T98 HydrophobicContact CB-CG2 3.78Å; K95-T98 HydrophobicContact CD-CG2 4.35Å; K95-T98 WeakPolarHBondContact O-CB 3.45Å; K95-T98 PolarHBondContact O-N 2.9Å; K95-T98 PolarHBondContact O-OG1 3.25Å; H96-T98 PolarHBondContact O-N 2.85Å; H96-T98 VanDerWaalsContact O-N 3.15Å
99Y98.6Very high97.4Very high21 Ų2140.8 Ų40.88%0.08219%0.19CC..Hα-helixtrans-77.9-43.6173.2171.4-102.6000111.7Y91 H96 L97 N101 V102 V134 E138 A139 F142Y91-Y99 HydrophobicContact CD1-CD2 4.3Å; Y91-Y99 HydrophobicContact CD2-CD2 4.18Å; Y91-Y99 HydrophobicContact CD2-CG 4.42Å; Y91-Y99 HydrophobicContact CE1-CD2 4.28Å; Y91-Y99 HydrophobicContact CE2-CD2 4.16Å; Y91-Y99 HydrophobicContact CG-CD2 4.25Å; H96-Y99 WeakPolarHBondContact O-CA 3.38Å; H96-Y99 WeakPolarHBondContact O-CB 3.35Å; H96-Y99 PolarHBondContact O-N 3.4Å; L97-Y99 VanDerWaalsContact C-N 3.25Å; L97-Y99 PolarHBondContact O-N 3.07Å; Y99-N101 PolarHBondContact O-N 3.28Å; Y99-V102 HydrophobicContact CD2-CG2 4.33Å; Y99-V102 WeakPolarHBondContact O-CB 3.31Å; Y99-V102 VanDerWaalsContact O-CG2 3.25Å; Y99-V102 WeakPolarHBondContact O-CG2 3.31Å; Y99-V102 PolarHBondContact O-N 2.84Å; Y99-V134 HydrophobicContact CD1-CG1 3.94Å; Y99-V134 HydrophobicContact CD1-CG2 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.89Å; Y99-V134 HydrophobicContact CE1-CG1 4.31Å; Y99-V134 HydrophobicContact CE2-CG1 4.27Å; Y99-V134 HydrophobicContact CG-CG1 3.71Å; Y99-V134 HydrophobicContact CG-CG2 4.03Å; Y99-E138 HydrophobicContact CE1-CG 4.27Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y99-E138 PolarHBondContact OH-O 2.94Å; Y99-A139 HydrophobicContact CD2-CB 4.48Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; Y99-F142 WeakPolarHBondContact OH-CB 3.36Å
100E97.9Very high97.3Very high107 Ų10746.3 Ų46.350%0.521%0.211SC..Hα-helixtrans-55.5-38.1173.2-68.9174.9159.200111.8H96 L97 V102H96-E100 VanDerWaalsContact CE1-CG 3.49Å; H96-E100 WeakPolarHBondContact CE1-CG 3.4Å; H96-E100 IonicContact CE1-OE1 3.65Å; H96-E100 PolarHBondContact CE1-OE1 2.89Å; H96-E100 VanDerWaalsContact ND1-CD 3.3Å; H96-E100 WeakPolarHBondContact ND1-CG 3.34Å; H96-E100 IonicContact ND1-OE1 3.79Å; H96-E100 PolarHBondContact ND1-OE1 3.28Å; H96-E100 IonicContact ND1-OE2 3Å; H96-E100 PolarHBondContact O-N 3.32Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.34Å; L97-E100 PolarHBondContact O-N 2.97Å; E100-V102 PolarHBondContact O-N 2.97Å
101N97.3Very high97.1Very high27 Ų2750.9 Ų50.914%0.14424%0.236CC..THydrogen-bonded Turntrans-71.9-11.2178.4-74.7-31.4000114.3D19 L97 Y99 E103 R104 W105D19-N101 PolarHBondContact OD2-ND2 2.95Å; L97-N101 WeakPolarHBondContact O-CB 2.92Å; L97-N101 VanDerWaalsContact O-CG 3.27Å; L97-N101 PolarHBondContact O-N 3.35Å; L97-N101 VanDerWaalsContact O-N 3.08Å; L97-N101 PolarHBondContact O-ND2 2.92Å; Y99-N101 PolarHBondContact O-N 3.28Å; N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.64Å; N101-R104 PolarHBondContact ND2-NH2 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.04Å; N101-R104 PolarHBondContact O-N 3.35Å; N101-R104 VanDerWaalsContact OD1-CZ 3.29Å; N101-R104 PolarHBondContact OD1-NH1 3.18Å; N101-R104 PolarHBondContact OD1-NH2 2.97Å; N101-W105 PolarHBondContact O-N 2.96Å
102V98.2Very high96.8Very high1 Ų155.5 Ų55.51%0.00626%0.257CS..Hα-helixtrans-57.7-41.3178.2167.60000111.2L89 Y91 Y99 E100 R104 W105 L106 L121 F142L89-V102 HydrophobicContact CD1-CG1 4.38Å; L89-V102 HydrophobicContact CD2-CG1 3.48Å; L89-V102 VanDerWaalsContact CD2-CG1 3.48Å; L89-V102 HydrophobicContact CG-CG1 3.89Å; Y91-V102 HydrophobicContact CD1-CG2 4.29Å; Y91-V102 HydrophobicContact CG-CG2 4.33Å; Y99-V102 HydrophobicContact CD2-CG2 4.33Å; Y99-V102 WeakPolarHBondContact O-CB 3.31Å; Y99-V102 VanDerWaalsContact O-CG2 3.25Å; Y99-V102 WeakPolarHBondContact O-CG2 3.31Å; Y99-V102 PolarHBondContact O-N 2.84Å; E100-V102 PolarHBondContact O-N 2.97Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.28Å; V102-W105 PolarHBondContact O-N 3.35Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 2.83Å; V102-L121 HydrophobicContact CG1-CD1 3.61Å; V102-L121 HydrophobicContact CG2-CD1 4.16Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.73Å
103E97.8Very high96.6Very high137 Ų13756.2 Ų56.264%0.6426%0.263SS*.Hα-helixtrans-60.4-41.2-179.4-176.2169.4-151.900111.7N101 L106 K107 F142N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.64Å; E103-L106 PolarHBondContact O-N 3.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 PolarHBondContact O-N 2.73Å; E103-F142 HydrophobicContact CB-CE2 4.42Å
104R95.4Very high96.3Very high90 Ų9060.6 Ų60.634%0.3429%0.287SS..Hα-helixtrans-63.9-47.1175.6-179.8-177.264.5-137.10.5111.7D19 N101 V102 L106 K107 E108D19-R104 IonicContact OD1-NH2 3.43Å; D19-R104 PolarHBondContact OD1-NH2 3.2Å; N101-R104 PolarHBondContact ND2-NH2 3.41Å; N101-R104 WeakPolarHBondContact O-CB 3.04Å; N101-R104 PolarHBondContact O-N 3.35Å; N101-R104 VanDerWaalsContact OD1-CZ 3.29Å; N101-R104 PolarHBondContact OD1-NH1 3.18Å; N101-R104 PolarHBondContact OD1-NH2 2.97Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.28Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-K107 PolarHBondContact O-N 3.49Å; R104-E108 WeakPolarHBondContact O-CB 3.26Å; R104-E108 PolarHBondContact O-N 3.15Å
105W95.6Very high96Very high2 Ų265 Ų651%0.00832%0.316CS..Hα-helixtrans-63-40.6178.1-76.1111.7000112.1I17 G18 D19 T77 L89 N101 V102 E108 L109I17-W105 HydrophobicContact CB-CE3 4.31Å; I17-W105 HydrophobicContact CD1-CB 4.4Å; G18-W105 VanDerWaalsContact C-CE2 3.45Å; G18-W105 WeakPolarHBondContact O-CZ2 3.2Å; D19-W105 PolarHBondContact OD1-NE1 3.29Å; T77-W105 HydrophobicContact CG2-CZ3 4.37Å; L89-W105 HydrophobicContact CD1-CB 3.5Å; L89-W105 HydrophobicContact CD1-CG 4.33Å; N101-W105 PolarHBondContact O-N 2.96Å; V102-W105 PolarHBondContact O-N 3.35Å; W105-E108 PolarHBondContact O-N 3.12Å; W105-L109 WeakPolarHBondContact O-CB 3.41Å; W105-L109 PolarHBondContact O-N 3.35Å
106L97.2Very high95.8Very high4 Ų465.2 Ų65.22%0.02132%0.323CS..Hα-helixtrans-62.4-44.9176.2-179.560000111.5L89 V102 E103 R104 L109 R110 I119 F142 N146 L148L89-L106 HydrophobicContact CD2-CB 3.84Å; L89-L106 HydrophobicContact CD2-CD1 4.21Å; V102-L106 WeakPolarHBondContact O-CB 3.46Å; V102-L106 PolarHBondContact O-N 2.83Å; E103-L106 PolarHBondContact O-N 3.45Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-L109 PolarHBondContact O-N 2.88Å; L106-R110 HydrophobicContact CD1-CG 4.44Å; L106-R110 WeakPolarHBondContact O-CB 3.39Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 3.48Å; L106-I119 HydrophobicContact CD1-CD1 3.79Å; L106-I119 HydrophobicContact CD1-CG2 4.35Å; L106-F142 HydrophobicContact CD2-CE1 4.22Å; L106-F142 HydrophobicContact CD2-CZ 3.95Å; L106-N146 HydrophobicContact CD2-CB 3.98Å; L106-L148 HydrophobicContact CD1-CD1 4.32Å; L106-L148 HydrophobicContact CD1-CD2 4.02Å; L106-L148 HydrophobicContact CD2-CD1 4.14Å
107K95.8Very high95.7Very high122 Ų12263 Ų6353%0.5331%0.313SS..Hα-helixtrans-60.6-50.7176.1-169.9-164.4-175.9-44.60110.9E103 R104 L109 R110 D111E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 PolarHBondContact O-N 2.73Å; R104-K107 PolarHBondContact O-N 3.49Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.2Å; K107-R110 PolarHBondContact O-N 2.6Å; K107-R110 VanDerWaalsContact O-N 3.16Å; K107-D111 IonicContact NZ-OD1 4Å; K107-D111 PolarHBondContact NZ-OD1 2.75Å; K107-D111 IonicContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact NZ-OD2 3.23Å; K107-D111 PolarHBondContact O-N 3.02Å
108E93.7Very high95.7Very high24 Ų2458.7 Ų58.711%0.11229%0.291CS..Hα-helixtrans-58.1-42.7-179.2-165.7-167.611400111.8R74 Y81 R104 W105 D111 H112R74-E108 IonicContact NE-OE2 3.32Å; Y81-E108 HydrophobicContact CE2-CG 3.99Å; Y81-E108 VanDerWaalsContact CE2-OE1 3.27Å; Y81-E108 WeakPolarHBondContact CE2-OE1 3.4Å; Y81-E108 PolarHBondContact OH-OE1 3.48Å; R104-E108 WeakPolarHBondContact O-CB 3.26Å; R104-E108 PolarHBondContact O-N 3.15Å; W105-E108 PolarHBondContact O-N 3.12Å; E108-D111 PolarHBondContact O-N 3.32Å; E108-H112 PolarHBondContact O-ND1 3.03Å
109L95Very high95.8Very high0 Ų058.7 Ų58.70%029%0.291CS..Hα-helixtrans-60.4-50175.2-179.669.2000111.3V15 I17 Y81 A87 W105 L106 K107 D111 H112 A113 I117 I119V15-L109 HydrophobicContact CG2-CD1 4.23Å; I17-L109 HydrophobicContact CD1-CB 3.89Å; I17-L109 HydrophobicContact CD1-CD1 4.3Å; I17-L109 HydrophobicContact CD1-CD2 3.82Å; I17-L109 HydrophobicContact CD1-CG 4.22Å; Y81-L109 HydrophobicContact CD1-CD1 3.76Å; Y81-L109 HydrophobicContact CD2-CD1 4.39Å; Y81-L109 HydrophobicContact CE1-CD1 4.16Å; Y81-L109 HydrophobicContact CG-CD1 3.9Å; A87-L109 HydrophobicContact CB-CD1 4.24Å; A87-L109 HydrophobicContact CB-CD2 3.44Å; A87-L109 VanDerWaalsContact CB-CD2 3.44Å; A87-L109 HydrophobicContact CB-CG 4.49Å; W105-L109 WeakPolarHBondContact O-CB 3.41Å; W105-L109 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.2Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.79Å; L109-H112 PolarHBondContact O-N 3.25Å; L109-A113 HydrophobicContact CD1-CB 4.02Å; L109-A113 HydrophobicContact CG-CB 4.31Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.91Å; L109-I117 HydrophobicContact CD1-CD1 3.92Å; L109-I117 HydrophobicContact CD2-CD1 4.23Å; L109-I117 HydrophobicContact CG-CD1 4.28Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.89Å; L109-I119 HydrophobicContact CD2-CG2 4.38Å
110R95.7Very high95.8Very high117 Ų11757.9 Ų57.944%0.44229%0.287SS..Hα-helixtrans-64.3-29.9-179.2-75.9176.6169.6165.5-1.3113.4L106 K107 H112 N146L106-R110 HydrophobicContact CD1-CG 4.44Å; L106-R110 WeakPolarHBondContact O-CB 3.39Å; L106-R110 WeakPolarHBondContact O-CG 3.46Å; L106-R110 PolarHBondContact O-N 3.48Å; K107-R110 PolarHBondContact O-N 2.6Å; K107-R110 VanDerWaalsContact O-N 3.16Å; R110-H112 VanDerWaalsContact C-N 3.26Å; R110-H112 PolarHBondContact O-N 3.49Å; R110-N146 PolarHBondContact NH1-OD1 2.71Å; R110-N146 PolarHBondContact NH2-O 2.83Å
111D94Very high95.8Very high95 Ų9552.8 Ų52.851%0.50826%0.264SS..Hα-helixtrans-71.2-19.8178.4-68.8-17.4000112.8K107 E108 L109K107-D111 IonicContact NZ-OD1 4Å; K107-D111 PolarHBondContact NZ-OD1 2.75Å; K107-D111 IonicContact NZ-OD2 3.39Å; K107-D111 PolarHBondContact NZ-OD2 3.23Å; K107-D111 PolarHBondContact O-N 3.02Å; E108-D111 PolarHBondContact O-N 3.32Å; L109-D111 VanDerWaalsContact C-N 3.27Å; L109-D111 PolarHBondContact O-N 2.79Å
112H92.6Very high95.9Very high97 Ų9751.5 Ų51.545%0.44926%0.257SS..Hα-helixtrans-130-16.9-169-63.194.4000115.1Y81 E108 L109 R110Y81-H112 HydrophobicContact CD2-CB 3.77Å; Y81-H112 HydrophobicContact CG-CB 4.48Å; E108-H112 PolarHBondContact O-ND1 3.03Å; L109-H112 PolarHBondContact O-N 3.25Å; R110-H112 VanDerWaalsContact C-N 3.26Å; R110-H112 PolarHBondContact O-N 3.49Å
113A94.4Very high95.9Very high17 Ų1751.5 Ų51.514%0.1426%0.257CS..SBendtrans-91168.4176.500000111.8L109 I117L109-A113 HydrophobicContact CD1-CB 4.02Å; L109-A113 HydrophobicContact CG-CB 4.31Å; L109-A113 WeakPolarHBondContact O-CB 3.36Å; L109-A113 PolarHBondContact O-N 2.91Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.78Å; A113-I117 HydrophobicContact CB-CG2 4.16Å
114D92.9Very high96Very high92 Ų9245 Ų4549%0.49223%0.227SC..  trans-63142.6171.8-69.6-66.2000111N116 I117D114-N116 PolarHBondContact O-N 2.85Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.91Å
115S92.5Very high96.1Very high114 Ų11442.9 Ų42.980%0.79722%0.22SC*.THydrogen-bonded Turntrans-60.7-20.6-175.9630000114.3
116N92.5Very high96.2Very high116 Ų11643 Ų4362%0.6222%0.221SC*.THydrogen-bonded Turntrans-9913.3-178.6-58.8-34.8000112.8D114 V118D114-N116 PolarHBondContact O-N 2.85Å; N116-V118 PolarHBondContact O-N 3.41Å
117I97.1Very high96.3Very high22 Ų2244.9 Ų44.911%0.11323%0.231CC..  trans-58.7130.6176.9-171.7168.1000110.6A84 A87 L109 A113 D114 I119A84-I117 HydrophobicContact CB-CD1 4.03Å; A87-I117 HydrophobicContact CB-CD1 3.99Å; L109-I117 HydrophobicContact CD1-CD1 3.92Å; L109-I117 HydrophobicContact CD2-CD1 4.23Å; L109-I117 HydrophobicContact CG-CD1 4.28Å; A113-I117 HydrophobicContact CB-CB 4.4Å; A113-I117 HydrophobicContact CB-CD1 3.78Å; A113-I117 HydrophobicContact CB-CG2 4.16Å; D114-I117 WeakPolarHBondContact O-CB 3.47Å; D114-I117 VanDerWaalsContact O-CG2 3.24Å; D114-I117 WeakPolarHBondContact O-CG2 3.46Å; D114-I117 PolarHBondContact O-N 2.91Å; I117-I119 HydrophobicContact CG1-CG1 4.4Å; I117-I119 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å
118V98.1Very high96.4Very high16 Ų1641.1 Ų41.110%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-81.4127173.5-1780000108.7V85 G86 A87 N116 I168 E171 I172 I175V85-V118 PolarHBondContact O-N 2.64Å; G86-V118 CarbonylContact C-O 3.54Å; G86-V118 WeakPolarHBondContact CA-O 3.46Å; A87-V118 PolarHBondContact N-O 3.28Å; N116-V118 PolarHBondContact O-N 3.41Å; V118-I168 HydrophobicContact CG1-CG1 4.03Å; V118-E171 HydrophobicContact CG1-CB 3.97Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.48Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.36Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.67Å; V118-I175 HydrophobicContact CG2-CD1 3.48Å; V118-I175 VanDerWaalsContact CG2-CD1 3.48Å
119I98.6Very high96.5Very high12 Ų1247.8 Ų47.86%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-123.9130.4-175.3-51.8169.5000109.4A87 L89 L106 L109 I117 L148 S149A87-I119 WeakPolarHBondContact O-CA 3.16Å; L89-I119 HydrophobicContact CB-CG2 4.35Å; L106-I119 HydrophobicContact CD1-CD1 3.79Å; L106-I119 HydrophobicContact CD1-CG2 4.35Å; L109-I119 HydrophobicContact CD2-CD1 3.72Å; L109-I119 HydrophobicContact CD2-CG1 3.89Å; L109-I119 HydrophobicContact CD2-CG2 4.38Å; I117-I119 HydrophobicContact CG1-CG1 4.4Å; I117-I119 HydrophobicContact CG2-CD1 3.94Å; I117-I119 HydrophobicContact CG2-CG1 3.94Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.22Å; I119-L148 HydrophobicContact CG2-CD1 4.46Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.39Å; I119-S149 PolarHBondContact O-N 2.97Å
120M98.8Very high96.6Very high3 Ų355 Ų552%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-117126.8172.4-179.1-178.6-7300110A87 L88 L89 V122 S149 I151 A164 T167 I168A87-M120 PolarHBondContact O-N 2.91Å; L88-M120 HydrophobicContact CD2-CB 3.72Å; L88-M120 HydrophobicContact CD2-CG 4.18Å; L88-M120 HydrophobicContact CD2-SD 3.89Å; L89-M120 PolarHBondContact N-O 3.43Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.15Å; M120-S149 CarbonylContact C-O 3.37Å; M120-S149 WeakPolarHBondContact CA-O 3.31Å; M120-S149 VanDerWaalsContact CB-OG 3.32Å; M120-S149 WeakPolarHBondContact CB-OG 3.33Å; M120-S149 WeakPolarHBondContact CE-OG 3.47Å; M120-I151 HydrophobicContact CG-CG2 4.22Å; M120-I151 HydrophobicContact SD-CB 4.44Å; M120-I151 HydrophobicContact SD-CG2 3.48Å; M120-I151 WeakPolarHBondContact SD-CG2 3.16Å; M120-A164 HydrophobicContact SD-CB 4.1Å; M120-T167 HydrophobicContact CE-CG2 3.53Å; M120-I168 HydrophobicContact CB-CD1 4.1Å; M120-I168 HydrophobicContact CE-CB 4.06Å
121L98.9Very high96.7Very high0 Ų054.1 Ų54.10%028%0.277CS..EExtended strand (participates in β ladder)trans-78127.6167-177.970000109.5L89 Y91 V102 A139 F142 A143 L148 S149 F150 I151L89-L121 HydrophobicContact CD2-CD1 4.34Å; L89-L121 HydrophobicContact CG-CD1 4.08Å; Y91-L121 HydrophobicContact CD1-CD1 3.83Å; Y91-L121 HydrophobicContact CD1-CG 4.25Å; Y91-L121 HydrophobicContact CE1-CD1 4.03Å; Y91-L121 HydrophobicContact CE1-CD2 4.16Å; Y91-L121 HydrophobicContact CE1-CG 3.95Å; V102-L121 HydrophobicContact CG1-CD1 3.61Å; V102-L121 HydrophobicContact CG2-CD1 4.16Å; L121-A139 HydrophobicContact CD2-CB 4.19Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; L121-F142 HydrophobicContact CD2-CD1 3.96Å; L121-A143 HydrophobicContact CB-CB 4.24Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; L121-S149 PolarHBondContact N-O 2.88Å; L121-F150 HydrophobicContact CB-CD2 4.08Å; L121-F150 HydrophobicContact CD2-CD2 3.82Å; L121-F150 HydrophobicContact CD2-CE2 4.17Å; L121-F150 HydrophobicContact CG-CD2 3.97Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.23Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; L121-I151 PolarHBondContact O-N 3.4Å; L121-I151 VanDerWaalsContact O-N 3.12Å
122V98.9Very high96.9Very high1 Ų153 Ų531%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-121.8110.5-177.7-1770000110.4L27 L88 L89 V90 Y91 M120 N124 I151 T153L27-V122 HydrophobicContact CD1-CG1 4.31Å; L88-V122 HydrophobicContact CB-CG2 4.12Å; L88-V122 HydrophobicContact CD1-CG2 4.45Å; L88-V122 HydrophobicContact CD2-CG2 3.93Å; L88-V122 HydrophobicContact CG-CG2 4.4Å; L89-V122 PolarHBondContact O-N 2.78Å; V90-V122 WeakPolarHBondContact CA-O 3.42Å; V90-V122 HydrophobicContact CG2-CB 4.27Å; Y91-V122 WeakPolarHBondContact CD1-O 3.46Å; Y91-V122 PolarHBondContact N-O 3.46Å; M120-V122 HydrophobicContact CG-CG2 3.99Å; M120-V122 HydrophobicContact SD-CG2 4.15Å; V122-N124 PolarHBondContact O-N 3.23Å; V122-I151 WeakPolarHBondContact CA-O 3.38Å; V122-I151 HydrophobicContact CG2-CG2 4.16Å; V122-T153 HydrophobicContact CG1-CG2 3.78Å; V122-T153 VanDerWaalsContact CG1-OG1 3.23Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.4Å
123G98.8Very high97.2Very high0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans-82.399.1168.800000110.3I151 E152 T153G123-I151 PolarHBondContact N-O 2.92Å; G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; G123-T153 PolarHBondContact O-N 3.37Å
124N98.8Very high97.4Very high2 Ų249.6 Ų49.61%0.01126%0.255CS..EExtended strand (participates in β ladder)trans-90.1165.3-178-170.233.3000112.3V22 L27 V90 Y91 I93 V122 T153 A155V22-N124 PolarHBondContact O-ND2 3.16Å; L27-N124 HydrophobicContact CD1-CB 4.29Å; V90-N124 HydrophobicContact CG1-CB 3.74Å; Y91-N124 PolarHBondContact O-N 2.72Å; I93-N124 PolarHBondContact N-O 3.04Å; V122-N124 PolarHBondContact O-N 3.23Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 WeakPolarHBondContact CA-O 3.33Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-T153 PolarHBondContact OD1-OG1 3.42Å; N124-A155 PolarHBondContact OD1-N 2.92Å
125K98.2Very high97.6Very high45 Ų4548.4 Ų48.420%0.19625%0.252CS..  trans68.240-177.4-47.8-170.3-165.8166.70113.4G21 V22 D92 I93 D127 L128 T153G21-K125 WeakPolarHBondContact O-CE 3.41Å; G21-K125 PolarHBondContact O-NZ 3.35Å; V22-K125 WeakPolarHBondContact O-CE 3.29Å; D92-K125 WeakPolarHBondContact OD2-CD 3.48Å; D92-K125 WeakPolarHBondContact OD2-CE 3.32Å; D92-K125 IonicContact OD2-NZ 2.78Å; D92-K125 PolarHBondContact OD2-NZ 3.13Å; I93-K125 WeakPolarHBondContact CD1-O 3.28Å; I93-K125 VanDerWaalsContact CG1-O 3.3Å; I93-K125 WeakPolarHBondContact CG1-O 3.25Å; K125-D127 WeakPolarHBondContact CA-OD1 3.4Å; K125-D127 PolarHBondContact O-N 3.49Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.2Å; K125-L128 HydrophobicContact CD-CD1 3.99Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 2.88Å; K125-T153 PolarHBondContact N-O 3.34Å
126S98.5Very high97.9Very high3 Ų344.5 Ų44.52%0.02122%0.223CC..THydrogen-bonded Turntrans-62-7.2174.968.60000114.1L128 R129 T153 S154S126-L128 VanDerWaalsContact C-N 3.3Å; S126-R129 WeakPolarHBondContact O-CG 3.34Å; S126-R129 PolarHBondContact O-NE 2.88Å; S126-R129 VanDerWaalsContact O-NE 3.12Å; S126-T153 WeakPolarHBondContact CB-O 3.46Å; S126-T153 PolarHBondContact N-O 3.35Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.22Å; S126-S154 VanDerWaalsContact OG-CB 3.32Å; S126-S154 WeakPolarHBondContact OG-CB 3.48Å; S126-S154 PolarHBondContact OG-N 3.39Å
127D98.2Very high98.2Very high44 Ų4444.5 Ų44.524%0.23522%0.223CC..THydrogen-bonded Turntrans-67.4-28.9166.255.4-70.1000112.2K125 R129 S154 L156K125-D127 WeakPolarHBondContact CA-OD1 3.4Å; K125-D127 PolarHBondContact O-N 3.49Å; D127-R129 PolarHBondContact O-N 3.13Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-S154 VanDerWaalsContact OD1-OG 3.08Å; D127-L156 HydrophobicContact CB-CD2 4.04Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.37Å
128L97.5Very high98.2Very high44 Ų4447.3 Ų47.323%0.2324%0.236CC..  trans-82.736179-58-178.2000113.3A94 K125 S126 H130 L131 R132A94-L128 HydrophobicContact CB-CB 4.09Å; A94-L128 HydrophobicContact CB-CD1 3.93Å; K125-L128 HydrophobicContact CB-CD1 4.01Å; K125-L128 HydrophobicContact CB-CG 4.2Å; K125-L128 HydrophobicContact CD-CD1 3.99Å; K125-L128 WeakPolarHBondContact O-CB 3.41Å; K125-L128 PolarHBondContact O-N 2.88Å; S126-L128 VanDerWaalsContact C-N 3.3Å; L128-H130 PolarHBondContact O-N 2.9Å; L128-H130 VanDerWaalsContact O-N 3.09Å; L128-L131 HydrophobicContact CB-CB 4.46Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.45Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 PolarHBondContact O-N 3Å; L128-R132 PolarHBondContact O-N 2.8Å
129R96.2Very high98.3Very high164 Ų16446.5 Ų46.562%0.61923%0.231SC*.G310 helixtrans-53.1-37.1-175-55-172.6-177.9-136.90.8113.6S126 D127 L131 R132S126-R129 WeakPolarHBondContact O-CG 3.34Å; S126-R129 PolarHBondContact O-NE 2.88Å; S126-R129 VanDerWaalsContact O-NE 3.12Å; D127-R129 PolarHBondContact O-N 3.13Å; R129-L131 PolarHBondContact O-N 3.49Å; R129-R132 VanDerWaalsContact O-CB 3.31Å; R129-R132 WeakPolarHBondContact O-CB 3.42Å; R129-R132 PolarHBondContact O-N 3.27Å
130H97.4Very high98.3Very high151 Ų15150.4 Ų50.470%0.69925%0.245SC*.G310 helixtrans-70.7-16.5179.663.4-76.4000113.7L128L128-H130 PolarHBondContact O-N 2.9Å; L128-H130 VanDerWaalsContact O-N 3.09Å
131L98.1Very high98.2Very high98 Ų9852.8 Ų52.851%0.51327%0.265SS..G310 helixtrans-10911.8175.8-57.6177.3000112.2A94 L128 R129 A133A94-L131 VanDerWaalsContact CA-O 3.31Å; A94-L131 WeakPolarHBondContact CA-O 3.1Å; A94-L131 HydrophobicContact CB-CB 3.96Å; A94-L131 WeakPolarHBondContact CB-O 3.23Å; L128-L131 HydrophobicContact CB-CB 4.46Å; L128-L131 HydrophobicContact CD2-CD1 4.48Å; L128-L131 CarbonylContact O-C 3.45Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 PolarHBondContact O-N 3Å; R129-L131 PolarHBondContact O-N 3.49Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact O-N 3.1Å
132R98.6Very high98.2Very high72 Ų7254.2 Ų54.227%0.27227%0.272SS..  trans-55.9120.1-176.9177.3176.6-70.1-887.4110.4I93 L128 R129 V134 T136 E152I93-R132 HydrophobicContact CD1-CB 4.47Å; L128-R132 PolarHBondContact O-N 2.8Å; R129-R132 VanDerWaalsContact O-CB 3.31Å; R129-R132 WeakPolarHBondContact O-CB 3.42Å; R129-R132 PolarHBondContact O-N 3.27Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.48Å; R132-V134 PolarHBondContact NH1-O 3.19Å; R132-T136 PolarHBondContact NH1-OG1 3.09Å; R132-T136 VanDerWaalsContact NH1-OG1 3.16Å; R132-E152 IonicContact CZ-OE1 3.14Å; R132-E152 IonicContact CZ-OE2 3.86Å; R132-E152 IonicContact NH1-OE1 2.69Å; R132-E152 PolarHBondContact NH1-OE1 3.37Å; R132-E152 IonicContact NH1-OE2 2.69Å; R132-E152 VanDerWaalsContact NH2-CD 3.27Å; R132-E152 IonicContact NH2-OE1 3.89Å; R132-E152 PolarHBondContact NH2-OE1 2.85Å; R132-E152 VanDerWaalsContact NH2-OE1 3.14Å; R132-E152 IonicContact NH2-OE2 2.71Å; R132-E152 PolarHBondContact NH2-OE2 2.81Å
133A98.3Very high98.2Very high42 Ų4254.2 Ų54.235%0.34727%0.272SS..  trans-105.1-17.3175.500000112.3I93 H96 L131I93-A133 PolarHBondContact O-N 2.84Å; H96-A133 HydrophobicContact CB-CB 4.15Å; L131-A133 PolarHBondContact O-N 2.79Å; L131-A133 VanDerWaalsContact O-N 3.1Å
134V98.3Very high98.2Very high0 Ų060.6 Ų60.60%030%0.302CS..SBendtrans-115.5112179.8-174.30000109.4Y91 I93 Y99 R132 T136 A139Y91-V134 HydrophobicContact CD2-CG2 4.34Å; Y91-V134 HydrophobicContact CE2-CB 3.93Å; Y91-V134 HydrophobicContact CE2-CG1 3.8Å; Y91-V134 HydrophobicContact CE2-CG2 4.09Å; I93-V134 PolarHBondContact O-N 2.71Å; I93-V134 VanDerWaalsContact O-N 3.12Å; Y99-V134 HydrophobicContact CD1-CG1 3.94Å; Y99-V134 HydrophobicContact CD1-CG2 4.36Å; Y99-V134 HydrophobicContact CD2-CG1 3.89Å; Y99-V134 HydrophobicContact CE1-CG1 4.31Å; Y99-V134 HydrophobicContact CE2-CG1 4.27Å; Y99-V134 HydrophobicContact CG-CG1 3.71Å; Y99-V134 HydrophobicContact CG-CG2 4.03Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.48Å; R132-V134 PolarHBondContact NH1-O 3.19Å; V134-T136 PolarHBondContact O-N 3.33Å; V134-A139 HydrophobicContact CG1-CB 4.32Å
135P98.1Very high98.2Very high68 Ų6869 Ų6944%0.44234%0.338SS..  trans-58.4135.1172.5-22.933.5000111.6D137 E138 A139P135-D137 PolarHBondContact O-N 3.26Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.42Å; P135-E138 WeakPolarHBondContact O-CB 3.19Å; P135-E138 PolarHBondContact O-N 3.3Å; P135-A139 PolarHBondContact O-N 3.37Å
136T98.4Very high98.2Very high32 Ų3268.7 Ų68.720%0.19634%0.338CS..Hα-helixtrans-59.8-37.2-179.9-55.90000112.1R132 V134 E138 A139 R140 F150 E152R132-T136 PolarHBondContact NH1-OG1 3.09Å; R132-T136 VanDerWaalsContact NH1-OG1 3.16Å; V134-T136 PolarHBondContact O-N 3.33Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.39Å; T136-A139 PolarHBondContact O-N 3.23Å; T136-R140 VanDerWaalsContact CG2-NH2 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 2.73Å; T136-F150 HydrophobicContact CG2-CE1 3.76Å; T136-F150 HydrophobicContact CG2-CZ 4.07Å; T136-E152 WeakPolarHBondContact CB-OE1 3.41Å; T136-E152 HydrophobicContact CG2-CG 4.45Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.37Å; T136-E152 PolarHBondContact OG1-OE1 3.42Å
137D98.3Very high98.1Very high116 Ų11671.8 Ų71.862%0.6237%0.371SS*.Hα-helixtrans-68.4-33-179.4-63.8-18.2000112.4P135 R140 A141P135-D137 PolarHBondContact O-N 3.26Å; D137-R140 IonicContact OD1-CZ 3.8Å; D137-R140 IonicContact OD1-NH1 3.32Å; D137-R140 PolarHBondContact OD1-NH1 2.86Å; D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 2.78Å
138E98.2Very high98.1Very high80 Ų8070.4 Ų70.437%0.37436%0.364SS..Hα-helixtrans-65.2-49.4175.4-171.7-175154.100110.9Y99 P135 T136 R140 A141 F142Y99-E138 HydrophobicContact CE1-CG 4.27Å; Y99-E138 WeakPolarHBondContact CE1-OE1 3.21Å; Y99-E138 PolarHBondContact OH-O 2.94Å; P135-E138 HydrophobicContact CB-CB 4.13Å; P135-E138 WeakPolarHBondContact CD-OE2 3.42Å; P135-E138 WeakPolarHBondContact O-CB 3.19Å; P135-E138 PolarHBondContact O-N 3.3Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.39Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.36Å; E138-A141 PolarHBondContact O-N 3.24Å; E138-F142 PolarHBondContact O-N 3.12Å
139A98.5Very high98.2Very high0 Ų069.6 Ų69.60%036%0.362CS..Hα-helixtrans-64.8-37.2177.700000112.5Y91 Y99 L121 V134 P135 T136 F142 A143 F150Y91-A139 HydrophobicContact CE1-CB 4.23Å; Y91-A139 WeakPolarHBondContact OH-CB 3.3Å; Y99-A139 HydrophobicContact CD2-CB 4.48Å; Y99-A139 HydrophobicContact CE2-CB 3.9Å; L121-A139 HydrophobicContact CD2-CB 4.19Å; L121-A139 WeakPolarHBondContact CD2-O 3.42Å; V134-A139 HydrophobicContact CG1-CB 4.32Å; P135-A139 PolarHBondContact O-N 3.37Å; T136-A139 PolarHBondContact O-N 3.23Å; A139-F142 PolarHBondContact O-N 2.95Å; A139-A143 PolarHBondContact O-N 3.1Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.88Å
140R98.6Very high98.3Very high93 Ų9364 Ų6435%0.35134%0.342SS..Hα-helixtrans-63.9-46.8174.5-171.1-178.7-58.8101.4-1.2111.5T136 D137 E138 F142 A143 E144 F150T136-R140 VanDerWaalsContact CG2-NH2 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 2.73Å; D137-R140 IonicContact OD1-CZ 3.8Å; D137-R140 IonicContact OD1-NH1 3.32Å; D137-R140 PolarHBondContact OD1-NH1 2.86Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.36Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 3.17Å; R140-A143 WeakPolarHBondContact O-CB 3.04Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.13Å; R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 2.89Å; R140-F150 HydrophobicContact CB-CD1 3.83Å; R140-F150 HydrophobicContact CB-CE1 4.01Å; R140-F150 HydrophobicContact CG-CD1 4.04Å
141A98.6Very high98.4Very high53 Ų5358.1 Ų58.144%0.43832%0.315SS..Hα-helixtrans-61.2-38.317700000111.7D137 E138 K145D137-A141 VanDerWaalsContact O-CB 3.31Å; D137-A141 WeakPolarHBondContact O-CB 3.33Å; D137-A141 PolarHBondContact O-N 2.78Å; E138-A141 PolarHBondContact O-N 3.24Å; A141-K145 VanDerWaalsContact O-CB 3.23Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.91Å
142F98.7Very high98.4Very high31 Ų3154.9 Ų54.914%0.13630%0.297CS..Hα-helixtrans-61.7-45.4172.7174.9-84000112.1Y99 V102 E103 L106 L121 E138 A139 R140 K145 N146 L148Y99-F142 WeakPolarHBondContact OH-CB 3.36Å; V102-F142 HydrophobicContact CG1-CD1 4.33Å; V102-F142 HydrophobicContact CG1-CE1 3.5Å; V102-F142 HydrophobicContact CG1-CZ 3.73Å; E103-F142 HydrophobicContact CB-CE2 4.42Å; L106-F142 HydrophobicContact CD2-CE1 4.22Å; L106-F142 HydrophobicContact CD2-CZ 3.95Å; L121-F142 HydrophobicContact CD2-CD1 3.96Å; E138-F142 PolarHBondContact O-N 3.12Å; A139-F142 PolarHBondContact O-N 2.95Å; R140-F142 VanDerWaalsContact C-N 3.28Å; R140-F142 PolarHBondContact O-N 3.17Å; F142-K145 PolarHBondContact O-N 2.91Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 3.26Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.12Å; F142-L148 HydrophobicContact CE1-CD1 4.01Å
143A98.7Very high98.4Very high1 Ų151.4 Ų51.41%0.00828%0.284CS..Hα-helixtrans-62.3-48.1179.100000111.4L121 A139 R140 K145 N146 G147 L148 F150L121-A143 HydrophobicContact CB-CB 4.24Å; L121-A143 HydrophobicContact CD2-CB 4.1Å; A139-A143 PolarHBondContact O-N 3.1Å; R140-A143 WeakPolarHBondContact O-CB 3.04Å; R140-A143 PolarHBondContact O-N 2.83Å; R140-A143 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.44Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 2.95Å; A143-N146 VanDerWaalsContact O-N 3.12Å; A143-G147 PolarHBondContact O-N 2.89Å; A143-L148 HydrophobicContact CB-CB 4.11Å; A143-L148 PolarHBondContact O-N 3.23Å; A143-F150 HydrophobicContact CB-CB 3.71Å; A143-F150 HydrophobicContact CB-CG 4.4Å
144E98.3Very high98.4Very high134 Ų13449.4 Ų49.463%0.62627%0.268SS*.Hα-helixtrans-58.4-49.1176.4-72172.9-171.400111.7R140 N146 G147R140-E144 WeakPolarHBondContact O-CG 3.46Å; R140-E144 PolarHBondContact O-N 2.89Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-N146 VanDerWaalsContact O-N 3.17Å; E144-G147 PolarHBondContact O-N 2.88Å; E144-G147 VanDerWaalsContact O-N 3.12Å
145K98.4Very high98.4Very high179 Ų17949.5 Ų49.578%0.77827%0.269SS*.Hα-helixtrans-56.3-33.1176.9179.5-176.7174.6-171.40112.5A141 F142 A143A141-K145 VanDerWaalsContact O-CB 3.23Å; A141-K145 WeakPolarHBondContact O-CB 3.36Å; A141-K145 PolarHBondContact O-N 2.91Å; F142-K145 PolarHBondContact O-N 2.91Å; A143-K145 PolarHBondContact O-N 3.44Å
146N98Very high98.4Very high37 Ų3749.8 Ų49.820%0.19827%0.266CS..Hα-helixtrans-992.2-177.4-76.2-79.3000113.9L106 R110 F142 A143 E144 L148L106-N146 HydrophobicContact CD2-CB 3.98Å; R110-N146 PolarHBondContact NH1-OD1 2.71Å; R110-N146 PolarHBondContact NH2-O 2.83Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.29Å; F142-N146 WeakPolarHBondContact O-CB 3.48Å; F142-N146 PolarHBondContact O-N 3.26Å; F142-N146 VanDerWaalsContact O-N 3.1Å; F142-N146 PolarHBondContact O-ND2 3.12Å; A143-N146 CarbonylContact O-C 3.46Å; A143-N146 PolarHBondContact O-N 2.95Å; A143-N146 VanDerWaalsContact O-N 3.12Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-N146 VanDerWaalsContact O-N 3.17Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.18Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.4Å
147G97.4Very high98.3Very high69 Ų6951.9 Ų51.971%0.71128%0.276SS*.THydrogen-bonded Turntrans66.336.8-177.900000113.7A143 E144A143-G147 PolarHBondContact O-N 2.89Å; E144-G147 PolarHBondContact O-N 2.88Å; E144-G147 VanDerWaalsContact O-N 3.12Å
148L98.4Very high98.3Very high15 Ų1549.2 Ų49.28%0.07927%0.267CS..  trans-106.3146.5178-37.8177.7000109.6L106 I119 L121 F142 A143 N146L106-L148 HydrophobicContact CD1-CD1 4.32Å; L106-L148 HydrophobicContact CD1-CD2 4.02Å; L106-L148 HydrophobicContact CD2-CD1 4.14Å; I119-L148 HydrophobicContact CB-CD2 3.75Å; I119-L148 HydrophobicContact CD1-CD2 4.22Å; I119-L148 HydrophobicContact CG2-CD1 4.46Å; I119-L148 HydrophobicContact CG2-CD2 3.84Å; I119-L148 WeakPolarHBondContact O-CA 3.39Å; L121-L148 HydrophobicContact CB-CD1 4.32Å; F142-L148 HydrophobicContact CE1-CD1 4.01Å; A143-L148 HydrophobicContact CB-CB 4.11Å; A143-L148 PolarHBondContact O-N 3.23Å; N146-L148 HydrophobicContact CB-CD1 4.01Å; N146-L148 HydrophobicContact CB-CD2 4.18Å; N146-L148 HydrophobicContact CB-CG 3.77Å; N146-L148 WeakPolarHBondContact O-CD2 3.4Å
149S98.4Very high98.3Very high27 Ų2747.7 Ų47.719%0.18926%0.263CS..EExtended strand (participates in β ladder)trans-72.1156.1162.451.70000109.9I119 M120 L121 E171I119-S149 PolarHBondContact O-N 2.97Å; M120-S149 CarbonylContact C-O 3.37Å; M120-S149 WeakPolarHBondContact CA-O 3.31Å; M120-S149 VanDerWaalsContact CB-OG 3.32Å; M120-S149 WeakPolarHBondContact CB-OG 3.33Å; M120-S149 WeakPolarHBondContact CE-OG 3.47Å; L121-S149 PolarHBondContact N-O 2.88Å; S149-E171 PolarHBondContact OG-OE2 2.86Å
150F98.7Very high98.3Very high45 Ų4551.2 Ų51.220%0.19728%0.282CS..EExtended strand (participates in β ladder)trans-136.1136.3-176.9173.8-112.1000112.2Y91 L121 T136 A139 R140 A143 E152Y91-F150 HydrophobicContact CE1-CE2 4.35Å; L121-F150 HydrophobicContact CB-CD2 4.08Å; L121-F150 HydrophobicContact CD2-CD2 3.82Å; L121-F150 HydrophobicContact CD2-CE2 4.17Å; L121-F150 HydrophobicContact CG-CD2 3.97Å; L121-F150 HydrophobicContact CG-CE2 4.4Å; L121-F150 WeakPolarHBondContact O-CA 3.23Å; L121-F150 WeakPolarHBondContact O-CD2 3.31Å; T136-F150 HydrophobicContact CG2-CE1 3.76Å; T136-F150 HydrophobicContact CG2-CZ 4.07Å; A139-F150 HydrophobicContact CB-CE2 3.75Å; A139-F150 HydrophobicContact CB-CZ 3.88Å; R140-F150 HydrophobicContact CB-CD1 3.83Å; R140-F150 HydrophobicContact CB-CE1 4.01Å; R140-F150 HydrophobicContact CG-CD1 4.04Å; A143-F150 HydrophobicContact CB-CB 3.71Å; A143-F150 HydrophobicContact CB-CG 4.4Å; F150-E152 HydrophobicContact CE1-CG 4.3Å; F150-E152 HydrophobicContact CE2-CG 4.35Å; F150-E152 HydrophobicContact CZ-CG 3.67Å
151I98.8Very high98.3Very high28 Ų2847 Ų4714%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-150.8147.8173.2-165166.5000110.8M120 L121 V122 G123 T153 N160 A163 A164M120-I151 HydrophobicContact CG-CG2 4.22Å; M120-I151 HydrophobicContact SD-CB 4.44Å; M120-I151 HydrophobicContact SD-CG2 3.48Å; M120-I151 WeakPolarHBondContact SD-CG2 3.16Å; L121-I151 PolarHBondContact O-N 3.4Å; L121-I151 VanDerWaalsContact O-N 3.12Å; V122-I151 WeakPolarHBondContact CA-O 3.38Å; V122-I151 HydrophobicContact CG2-CG2 4.16Å; G123-I151 PolarHBondContact N-O 2.92Å; I151-T153 HydrophobicContact CG2-CG2 4.21Å; I151-N160 HydrophobicContact CD1-CB 3.78Å; I151-N160 HydrophobicContact CG1-CB 4.05Å; I151-A163 HydrophobicContact CD1-CB 4.06Å; I151-A164 HydrophobicContact CD1-CB 4.37Å; I151-A164 HydrophobicContact CG2-CB 3.75Å
152E98.8Very high98.3Very high30 Ų3048 Ų4814%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-101139.9168-66.4-170.4162.100110.7G123 R132 T136 F150 N160G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.38Å; R132-E152 IonicContact CZ-OE1 3.14Å; R132-E152 IonicContact CZ-OE2 3.86Å; R132-E152 IonicContact NH1-OE1 2.69Å; R132-E152 PolarHBondContact NH1-OE1 3.37Å; R132-E152 IonicContact NH1-OE2 2.69Å; R132-E152 VanDerWaalsContact NH2-CD 3.27Å; R132-E152 IonicContact NH2-OE1 3.89Å; R132-E152 PolarHBondContact NH2-OE1 2.85Å; R132-E152 VanDerWaalsContact NH2-OE1 3.14Å; R132-E152 IonicContact NH2-OE2 2.71Å; R132-E152 PolarHBondContact NH2-OE2 2.81Å; T136-E152 WeakPolarHBondContact CB-OE1 3.41Å; T136-E152 HydrophobicContact CG2-CG 4.45Å; T136-E152 WeakPolarHBondContact CG2-OE1 3.37Å; T136-E152 PolarHBondContact OG1-OE1 3.42Å; F150-E152 HydrophobicContact CE1-CG 4.3Å; F150-E152 HydrophobicContact CE2-CG 4.35Å; F150-E152 HydrophobicContact CZ-CG 3.67Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 3.12Å
153T98.8Very high98.3Very high0 Ų048.3 Ų48.30%027%0.27CS..  trans-132.5159.7-174.958.70000111.7V122 G123 N124 K125 S126 I151 T159 N160 A164V122-T153 HydrophobicContact CG1-CG2 3.78Å; V122-T153 VanDerWaalsContact CG1-OG1 3.23Å; V122-T153 WeakPolarHBondContact CG1-OG1 3.4Å; G123-T153 PolarHBondContact O-N 3.37Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 WeakPolarHBondContact CA-O 3.33Å; N124-T153 PolarHBondContact OD1-O 3.37Å; N124-T153 PolarHBondContact OD1-OG1 3.42Å; K125-T153 PolarHBondContact N-O 3.34Å; S126-T153 WeakPolarHBondContact CB-O 3.46Å; S126-T153 PolarHBondContact N-O 3.35Å; S126-T153 VanDerWaalsContact OG-C 3.28Å; S126-T153 PolarHBondContact OG-O 3.22Å; I151-T153 HydrophobicContact CG2-CG2 4.21Å; T153-T159 CarbonylContact C-O 3.59Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.35Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; T153-A164 HydrophobicContact CG2-CB 3.98Å
154S98.6Very high98.3Very high0 Ų048.4 Ų48.40%027%0.271CS..  trans-133.4110.7165.11630000108.5S126 D127 L156 D157 S158 T159 V161S126-S154 VanDerWaalsContact OG-CB 3.32Å; S126-S154 WeakPolarHBondContact OG-CB 3.48Å; S126-S154 PolarHBondContact OG-N 3.39Å; D127-S154 PolarHBondContact OD1-OG 3.36Å; D127-S154 VanDerWaalsContact OD1-OG 3.08Å; S154-L156 PolarHBondContact O-N 3.33Å; S154-L156 PolarHBondContact OG-N 3.27Å; S154-D157 WeakPolarHBondContact CB-OD1 3.48Å; S154-D157 PolarHBondContact OG-N 2.87Å; S154-D157 VanDerWaalsContact OG-N 3.16Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; S154-S158 CarbonylContact O-C 3.55Å; S154-S158 WeakPolarHBondContact O-CA 3.41Å; S154-S158 PolarHBondContact O-N 2.78Å; S154-T159 PolarHBondContact N-O 2.99Å; S154-T159 PolarHBondContact O-N 3.35Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å
155A98.2Very high98.3Very high2 Ų242.1 Ų42.12%0.01724%0.241CC..THydrogen-bonded Turntrans-65.1-26.1171.800000112.3N26 L27 R30 F36 N124N26-A155 HydrophobicContact CB-CB 3.8Å; L27-A155 HydrophobicContact CD2-CB 3.99Å; L27-A155 HydrophobicContact CG-CB 4.27Å; R30-A155 PolarHBondContact NE-O 3.38Å; R30-A155 PolarHBondContact NH2-O 3.05Å; F36-A155 HydrophobicContact CD2-CB 4.01Å; F36-A155 WeakPolarHBondContact CD2-O 3.23Å; F36-A155 HydrophobicContact CE2-CB 4.15Å; N124-A155 PolarHBondContact OD1-N 2.92Å
156L97.6Very high98.3Very high74 Ų7436 Ų3639%0.38722%0.215SC..THydrogen-bonded Turntrans-64.2-57.3-179.8176.264.4000110.8R30 F36 D127 S154R30-L156 PolarHBondContact NH2-O 3.42Å; F36-L156 HydrophobicContact CD1-CD1 3.82Å; F36-L156 HydrophobicContact CE1-CB 4.49Å; F36-L156 HydrophobicContact CE1-CD1 3.38Å; F36-L156 HydrophobicContact CE2-CB 4.07Å; F36-L156 HydrophobicContact CE2-CD1 4.45Å; F36-L156 HydrophobicContact CZ-CB 4.03Å; F36-L156 HydrophobicContact CZ-CD1 3.74Å; F36-L156 HydrophobicContact CZ-CG 4.48Å; D127-L156 HydrophobicContact CB-CD2 4.04Å; D127-L156 VanDerWaalsContact OD2-CD2 3.31Å; D127-L156 WeakPolarHBondContact OD2-CD2 3.37Å; S154-L156 PolarHBondContact O-N 3.33Å; S154-L156 PolarHBondContact OG-N 3.27Å
157D97.2Very high98.3Very high75 Ų7536.9 Ų36.940%0.40122%0.223SC..THydrogen-bonded Turntrans-99.75.5-176.165.332.3000113.8S154 T159S154-D157 WeakPolarHBondContact CB-OD1 3.48Å; S154-D157 PolarHBondContact OG-N 2.87Å; S154-D157 VanDerWaalsContact OG-N 3.16Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-D157 PolarHBondContact OG-OD2 3.41Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.25Å; D157-T159 PolarHBondContact OD1-N 3Å; D157-T159 PolarHBondContact OD1-OG1 3.39Å
158S97.8Very high98.4Very high61 Ų6133.6 Ų33.643%0.42719%0.189SC..  trans695.7-17874.80000116.7S154 N160 V161S154-S158 CarbonylContact O-C 3.55Å; S154-S158 WeakPolarHBondContact O-CA 3.41Å; S154-S158 PolarHBondContact O-N 2.78Å; S158-N160 PolarHBondContact O-N 2.82Å; S158-N160 VanDerWaalsContact O-N 3.17Å; S158-V161 PolarHBondContact O-N 2.96Å
159T98.6Very high98.4Very high47 Ų4733 Ų3329%0.28819%0.185SC..THydrogen-bonded Turntrans-53124.1178.9-62.90000110.9T153 S154 D157 V161T153-T159 CarbonylContact C-O 3.59Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.35Å; S154-T159 PolarHBondContact N-O 2.99Å; S154-T159 PolarHBondContact O-N 3.35Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.82Å; D157-T159 WeakPolarHBondContact OD1-CB 3.25Å; D157-T159 PolarHBondContact OD1-N 3Å; D157-T159 PolarHBondContact OD1-OG1 3.39Å; T159-V161 PolarHBondContact O-N 3.29Å
160N98.6Very high98.3Very high75 Ų7532.9 Ų32.940%0.40118%0.184SC..THydrogen-bonded Turntrans57.28.6175.6-66.3-23000116.3I151 E152 T153 S158 A163 A164I151-N160 HydrophobicContact CD1-CB 3.78Å; I151-N160 HydrophobicContact CG1-CB 4.05Å; E152-N160 WeakPolarHBondContact O-CB 3.23Å; E152-N160 PolarHBondContact O-ND2 3.12Å; T153-N160 HydrophobicContact CG2-CB 3.96Å; S158-N160 PolarHBondContact O-N 2.82Å; S158-N160 VanDerWaalsContact O-N 3.17Å; N160-A163 HydrophobicContact CB-CB 4.47Å; N160-A163 PolarHBondContact O-N 3.15Å; N160-A164 WeakPolarHBondContact O-CB 3.47Å; N160-A164 PolarHBondContact O-N 2.99Å
161V98.7Very high98.3Very high4 Ų433.7 Ų33.72%0.02419%0.188CC..Hα-helixtrans-64.6-52.9-179.4178.90000110.4L27 R30 F31 S154 S158 T159 A163 A164 F165L27-V161 HydrophobicContact CD2-CG1 4.29Å; L27-V161 HydrophobicContact CD2-CG2 3.82Å; R30-V161 HydrophobicContact CB-CG1 4.22Å; R30-V161 HydrophobicContact CG-CB 4.19Å; R30-V161 HydrophobicContact CG-CG1 3.94Å; R30-V161 HydrophobicContact CG-CG2 4.05Å; F31-V161 HydrophobicContact CB-CG1 4.03Å; S154-V161 WeakPolarHBondContact O-CG2 3.43Å; S158-V161 PolarHBondContact O-N 2.96Å; T159-V161 PolarHBondContact O-N 3.29Å; V161-A163 VanDerWaalsContact C-N 3.3Å; V161-A163 PolarHBondContact O-N 2.96Å; V161-A164 PolarHBondContact O-N 2.73Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.08Å
162E98.1Very high98.2Very high73 Ų7332.5 Ų32.534%0.34118%0.182SC..Hα-helixtrans-58.8-44175.6-171.967.5-150.300110.8R51 A164 F165 Q166R51-E162 IonicContact CZ-OE1 2.71Å; R51-E162 IonicContact CZ-OE2 2.73Å; R51-E162 IonicContact NH1-OE1 3.55Å; R51-E162 IonicContact NH1-OE2 2.91Å; R51-E162 PolarHBondContact NH1-OE2 2.94Å; R51-E162 IonicContact NH2-OE1 3.04Å; R51-E162 PolarHBondContact NH2-OE1 2.96Å; R51-E162 IonicContact NH2-OE2 3.33Å; R51-E162 PolarHBondContact NH2-OE2 2.92Å; E162-A164 PolarHBondContact O-N 3.19Å; E162-F165 PolarHBondContact O-N 3.45Å; E162-Q166 HydrophobicContact CG-CG 4Å; E162-Q166 VanDerWaalsContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CB 3.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.15Å; E162-Q166 PolarHBondContact O-N 2.96Å; E162-Q166 PolarHBondContact OE1-NE2 3.44Å
163A98.6Very high98.2Very high39 Ų3932.1 Ų32.132%0.32218%0.18SC..Hα-helixtrans-60.1-43.618000000112.6I151 N160 V161 F165 Q166 T167I151-A163 HydrophobicContact CD1-CB 4.06Å; N160-A163 HydrophobicContact CB-CB 4.47Å; N160-A163 PolarHBondContact O-N 3.15Å; V161-A163 VanDerWaalsContact C-N 3.3Å; V161-A163 PolarHBondContact O-N 2.96Å; A163-F165 PolarHBondContact O-N 3.39Å; A163-Q166 PolarHBondContact O-N 3.38Å; A163-T167 VanDerWaalsContact O-CB 3.25Å; A163-T167 WeakPolarHBondContact O-CB 3.12Å; A163-T167 PolarHBondContact O-N 2.96Å; A163-T167 PolarHBondContact O-OG1 2.92Å
164A98.7Very high98Very high2 Ų238.6 Ų38.62%0.01720%0.204CC..Hα-helixtrans-59.6-49.2178.900000111.8M120 I151 T153 N160 V161 E162 I168M120-A164 HydrophobicContact SD-CB 4.1Å; I151-A164 HydrophobicContact CD1-CB 4.37Å; I151-A164 HydrophobicContact CG2-CB 3.75Å; T153-A164 HydrophobicContact CG2-CB 3.98Å; N160-A164 WeakPolarHBondContact O-CB 3.47Å; N160-A164 PolarHBondContact O-N 2.99Å; V161-A164 PolarHBondContact O-N 2.73Å; E162-A164 PolarHBondContact O-N 3.19Å; A164-I168 WeakPolarHBondContact O-CG2 3.43Å; A164-I168 PolarHBondContact O-N 3.13Å; A164-I168 VanDerWaalsContact O-N 3.13Å
165F98.5Very high97.8Very high2 Ų242.6 Ų42.61%0.00923%0.225CC..Hα-helixtrans-69.2-41.3179.3-76.6-78.5000112.6L16 L27 F31 I64 L88 V161 E162 A163 I168 L169L16-F165 HydrophobicContact CD2-CE1 4.05Å; L16-F165 HydrophobicContact CD2-CZ 4.04Å; L27-F165 HydrophobicContact CB-CE2 4.49Å; F31-F165 HydrophobicContact CB-CD2 3.61Å; F31-F165 HydrophobicContact CB-CE2 3.54Å; F31-F165 HydrophobicContact CB-CG 4.36Å; F31-F165 HydrophobicContact CB-CZ 4.23Å; F31-F165 HydrophobicContact CD1-CB 4.24Å; F31-F165 AromaticContact CD1-CD1 3.93Å; F31-F165 HydrophobicContact CD1-CD1 3.93Å; F31-F165 AromaticContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CD2 3.89Å; F31-F165 HydrophobicContact CD1-CE1 4.24Å; F31-F165 HydrophobicContact CD1-CE2 4.2Å; F31-F165 AromaticContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CG 3.75Å; F31-F165 HydrophobicContact CD1-CZ 4.37Å; F31-F165 HydrophobicContact CD2-CB 3.69Å; F31-F165 AromaticContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CD2 3.54Å; F31-F165 HydrophobicContact CD2-CE2 4.36Å; F31-F165 AromaticContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CD2-CG 3.74Å; F31-F165 HydrophobicContact CE1-CB 3.95Å; F31-F165 HydrophobicContact CE1-CD1 4.02Å; F31-F165 HydrophobicContact CE1-CD2 4.46Å; F31-F165 AromaticContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE1-CG 3.9Å; F31-F165 HydrophobicContact CE2-CB 3.37Å; F31-F165 HydrophobicContact CE2-CD2 4.16Å; F31-F165 AromaticContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CE2-CG 3.9Å; F31-F165 HydrophobicContact CG-CB 4.12Å; F31-F165 HydrophobicContact CG-CD1 4.29Å; F31-F165 AromaticContact CG-CD2 3.39Å; F31-F165 HydrophobicContact CG-CD2 3.39Å; F31-F165 AromaticContact CG-CE2 3.79Å; F31-F165 HydrophobicContact CG-CE2 3.79Å; F31-F165 AromaticContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CG 3.68Å; F31-F165 HydrophobicContact CG-CZ 4.39Å; F31-F165 HydrophobicContact CZ-CB 3.51Å; F31-F165 HydrophobicContact CZ-CD1 4.45Å; F31-F165 AromaticContact CZ-CG 3.97Å; F31-F165 HydrophobicContact CZ-CG 3.97Å; I64-F165 HydrophobicContact CD1-CD1 3.82Å; I64-F165 HydrophobicContact CD1-CE1 3.63Å; I64-F165 HydrophobicContact CD1-CZ 4.47Å; I64-F165 HydrophobicContact CG1-CE1 4.31Å; I64-F165 HydrophobicContact CG2-CE1 4.05Å; L88-F165 HydrophobicContact CD1-CD1 4.02Å; L88-F165 HydrophobicContact CD1-CD2 4.5Å; L88-F165 HydrophobicContact CD1-CE1 3.58Å; L88-F165 HydrophobicContact CD1-CE2 4.11Å; L88-F165 HydrophobicContact CD1-CG 4.46Å; L88-F165 HydrophobicContact CD1-CZ 3.63Å; V161-F165 HydrophobicContact CG1-CD2 4.25Å; V161-F165 HydrophobicContact CG1-CE2 4.2Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.08Å; E162-F165 PolarHBondContact O-N 3.45Å; A163-F165 PolarHBondContact O-N 3.39Å; F165-I168 WeakPolarHBondContact O-CG2 3.32Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.34Å; F165-L169 WeakPolarHBondContact O-CD1 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.17Å; F165-L169 PolarHBondContact O-N 2.96Å
166Q98Very high97.6Very high50 Ų5044.5 Ų44.523%0.23424%0.236CC..Hα-helixtrans-62.1-45.1176.2-71.6-68.6-18.600111.6I53 E162 A163 T170I53-Q166 VanDerWaalsContact CD1-OE1 3.29Å; E162-Q166 HydrophobicContact CG-CG 4Å; E162-Q166 VanDerWaalsContact O-CB 3.31Å; E162-Q166 WeakPolarHBondContact O-CB 3.49Å; E162-Q166 WeakPolarHBondContact O-CG 3.15Å; E162-Q166 PolarHBondContact O-N 2.96Å; E162-Q166 PolarHBondContact OE1-NE2 3.44Å; A163-Q166 PolarHBondContact O-N 3.38Å; Q166-T170 VanDerWaalsContact O-CB 3.23Å; Q166-T170 WeakPolarHBondContact O-CB 3.11Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.48Å
167T98.3Very high97.4Very high57 Ų5741.6 Ų41.635%0.3522%0.222SC..Hα-helixtrans-62.8-51.7180-68.90000111.2M120 A163 L169 T170 E171M120-T167 HydrophobicContact CE-CG2 3.53Å; A163-T167 VanDerWaalsContact O-CB 3.25Å; A163-T167 WeakPolarHBondContact O-CB 3.12Å; A163-T167 PolarHBondContact O-N 2.96Å; A163-T167 PolarHBondContact O-OG1 2.92Å; T167-L169 PolarHBondContact O-N 3.37Å; T167-T170 PolarHBondContact O-N 3.16Å; T167-E171 HydrophobicContact CG2-CG 4.48Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact O-CG 3.16Å; T167-E171 PolarHBondContact O-N 3.39Å
168I98.4Very high97.1Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-63.6-40.8-178.9-167.8167.7000111.9A87 L88 V118 M120 A164 F165 T170 E171 I172A87-I168 VanDerWaalsContact O-CD1 3.31Å; A87-I168 WeakPolarHBondContact O-CD1 3.2Å; L88-I168 HydrophobicContact CD2-CB 4.3Å; L88-I168 HydrophobicContact CD2-CD1 3.64Å; L88-I168 HydrophobicContact CD2-CG2 4.05Å; L88-I168 HydrophobicContact CG-CD1 4.45Å; V118-I168 HydrophobicContact CG1-CG1 4.03Å; M120-I168 HydrophobicContact CB-CD1 4.1Å; M120-I168 HydrophobicContact CE-CB 4.06Å; A164-I168 WeakPolarHBondContact O-CG2 3.43Å; A164-I168 PolarHBondContact O-N 3.13Å; A164-I168 VanDerWaalsContact O-N 3.13Å; F165-I168 WeakPolarHBondContact O-CG2 3.32Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.42Å; I168-E171 PolarHBondContact O-N 2.89Å; I168-I172 HydrophobicContact CG1-CD1 4.03Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 3.35Å
169L98.3Very high96.6Very high1 Ų146.8 Ų46.81%0.00524%0.235CC..Hα-helixtrans-67.1-36178.8-69168.4000111.9F12 V14 I53 I60 A62 F165 T167 Y173F12-L169 HydrophobicContact CB-CD2 4.21Å; F12-L169 HydrophobicContact CD2-CD2 4.11Å; V14-L169 HydrophobicContact CG2-CD2 3.9Å; I53-L169 HydrophobicContact CD1-CB 3.64Å; I53-L169 HydrophobicContact CD1-CD1 3.44Å; I53-L169 VanDerWaalsContact CD1-CD1 3.44Å; I53-L169 HydrophobicContact CD1-CG 4.17Å; I53-L169 HydrophobicContact CG1-CD1 4.05Å; I60-L169 HydrophobicContact CG2-CD2 4.42Å; A62-L169 HydrophobicContact CB-CD1 3.72Å; A62-L169 HydrophobicContact CB-CD2 3.73Å; A62-L169 HydrophobicContact CB-CG 4.41Å; F165-L169 VanDerWaalsContact O-CB 3.3Å; F165-L169 WeakPolarHBondContact O-CB 3.34Å; F165-L169 WeakPolarHBondContact O-CD1 3.41Å; F165-L169 WeakPolarHBondContact O-CG 3.17Å; F165-L169 PolarHBondContact O-N 2.96Å; T167-L169 PolarHBondContact O-N 3.37Å; L169-Y173 WeakPolarHBondContact O-CB 3.42Å; L169-Y173 PolarHBondContact O-N 2.91Å
170T97.9Very high96Very high25 Ų2548.2 Ų48.215%0.15324%0.238CC..Hα-helixtrans-67.9-41.3174.3-59.70000111.7V55 Q166 T167 I168 Y173 R174V55-T170 HydrophobicContact CG1-CG2 3.93Å; Q166-T170 VanDerWaalsContact O-CB 3.23Å; Q166-T170 WeakPolarHBondContact O-CB 3.11Å; Q166-T170 PolarHBondContact O-N 3.48Å; Q166-T170 PolarHBondContact O-OG1 3.48Å; T167-T170 PolarHBondContact O-N 3.16Å; I168-T170 VanDerWaalsContact C-N 3.33Å; I168-T170 PolarHBondContact O-N 3.42Å; T170-Y173 PolarHBondContact O-N 2.57Å; T170-R174 WeakPolarHBondContact O-CG 3.42Å; T170-R174 PolarHBondContact O-N 3.16Å
171E97.6Very high95.3Very high62 Ų6249.7 Ų49.729%0.2924%0.244SC..Hα-helixtrans-61-47.3175.2-75.3174.7-177.400111.4V118 S149 T167 I168 Y173 R174 I175V118-E171 HydrophobicContact CG1-CB 3.97Å; V118-E171 WeakPolarHBondContact CG1-OE2 3.48Å; S149-E171 PolarHBondContact OG-OE2 2.86Å; T167-E171 HydrophobicContact CG2-CG 4.48Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact O-CG 3.16Å; T167-E171 PolarHBondContact O-N 3.39Å; I168-E171 PolarHBondContact O-N 2.89Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 2.97Å; E171-R174 PolarHBondContact O-N 2.92Å; E171-I175 WeakPolarHBondContact O-CG1 3.17Å; E171-I175 PolarHBondContact O-N 2.94Å
172I97.8Very high94.6Very high3 Ų352 Ų522%0.01526%0.26CS..Hα-helixtrans-58.8-48175.1-64.5160.2000110.4F12 V14 V85 V118 I168 R174 I175 V176F12-I172 HydrophobicContact CD1-CG2 4.02Å; F12-I172 HydrophobicContact CD2-CB 4.14Å; F12-I172 HydrophobicContact CD2-CG2 3.66Å; F12-I172 HydrophobicContact CE1-CG2 4.02Å; F12-I172 HydrophobicContact CE2-CB 4.1Å; F12-I172 HydrophobicContact CE2-CG2 3.64Å; F12-I172 HydrophobicContact CG-CG2 3.88Å; F12-I172 HydrophobicContact CZ-CG2 3.85Å; V14-I172 HydrophobicContact CG2-CD1 4.11Å; V85-I172 HydrophobicContact CB-CG2 4.07Å; V85-I172 HydrophobicContact CG2-CD1 4.3Å; V85-I172 HydrophobicContact CG2-CG2 3.81Å; V118-I172 HydrophobicContact CB-CG1 3.73Å; V118-I172 HydrophobicContact CG1-CG1 4.36Å; V118-I172 HydrophobicContact CG2-CB 4.47Å; V118-I172 HydrophobicContact CG2-CG1 3.67Å; I168-I172 HydrophobicContact CG1-CD1 4.03Å; I168-I172 WeakPolarHBondContact O-CD1 3.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.32Å; I168-I172 PolarHBondContact O-N 3.35Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.18Å; I172-I175 PolarHBondContact O-N 3.17Å; I172-V176 HydrophobicContact CG2-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CB 3.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 2.82Å
173Y97.5Very high93.8Very high23 Ų2351.9 Ų51.99%0.0926%0.262CS..Hα-helixtrans-57.4-43.5179169.9-109.1000112.4Y10 V55 D56 K58 I60 L169 T170 E171 I175 V176 S177Y10-Y173 AromaticContact CD2-CD2 3.98Å; Y10-Y173 HydrophobicContact CD2-CD2 3.98Å; Y10-Y173 AromaticContact CD2-CE2 3.96Å; Y10-Y173 HydrophobicContact CD2-CE2 3.96Å; Y10-Y173 AromaticContact CE2-CD2 3.85Å; Y10-Y173 HydrophobicContact CE2-CD2 3.85Å; Y10-Y173 AromaticContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CE2-CE2 3.41Å; Y10-Y173 VanDerWaalsContact CE2-CE2 3.41Å; Y10-Y173 HydrophobicContact CG-CD2 4.44Å; Y10-Y173 AromaticContact CZ-CE2 3.76Å; V55-Y173 HydrophobicContact CB-CD1 4.48Å; V55-Y173 HydrophobicContact CG1-CD1 3.61Å; V55-Y173 HydrophobicContact CG1-CE1 4.14Å; V55-Y173 HydrophobicContact CG1-CG 4.22Å; D56-Y173 HydrophobicContact CB-CE1 3.8Å; D56-Y173 WeakPolarHBondContact OD2-CE1 3.39Å; K58-Y173 HydrophobicContact CB-CE2 4.22Å; K58-Y173 HydrophobicContact CG-CE2 4.04Å; K58-Y173 WeakPolarHBondContact CG-OH 3.32Å; I60-Y173 HydrophobicContact CD1-CD2 4.29Å; I60-Y173 HydrophobicContact CD1-CG 4.07Å; L169-Y173 WeakPolarHBondContact O-CB 3.42Å; L169-Y173 PolarHBondContact O-N 2.91Å; T170-Y173 PolarHBondContact O-N 2.57Å; E171-Y173 VanDerWaalsContact C-N 3.35Å; E171-Y173 PolarHBondContact O-N 2.97Å; Y173-I175 PolarHBondContact O-N 3.08Å; Y173-V176 PolarHBondContact O-N 2.73Å; Y173-S177 WeakPolarHBondContact O-CB 3.07Å; Y173-S177 PolarHBondContact O-N 2.95Å; Y173-S177 PolarHBondContact O-OG 3.49Å
174R96Very high92.9Very high135 Ų13558.3 Ų58.351%0.50928%0.278SS..Hα-helixtrans-61.8-43178.8-74.2173.3179.7173.92.6111.8T170 E171 I172 S177 Q178T170-R174 WeakPolarHBondContact O-CG 3.42Å; T170-R174 PolarHBondContact O-N 3.16Å; E171-R174 PolarHBondContact O-N 2.92Å; I172-R174 VanDerWaalsContact C-N 3.31Å; I172-R174 PolarHBondContact O-N 3.18Å; R174-S177 PolarHBondContact O-OG 2.81Å; R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3Å; R174-Q178 VanDerWaalsContact O-N 3.1Å
175I94.5Very high91.8Very high85 Ų8566.9 Ų66.944%0.43631%0.31SS..Hα-helixtrans-66-47177.8-65.6168.1000110.9V118 E171 I172 Y173 K179V118-I175 HydrophobicContact CG2-CD1 3.48Å; V118-I175 VanDerWaalsContact CG2-CD1 3.48Å; E171-I175 WeakPolarHBondContact O-CG1 3.17Å; E171-I175 PolarHBondContact O-N 2.94Å; I172-I175 PolarHBondContact O-N 3.17Å; Y173-I175 PolarHBondContact O-N 3.08Å; I175-K179 PolarHBondContact O-N 2.91Å; I175-K179 VanDerWaalsContact O-N 3.17Å
176V93.4Very high90.6Very high42 Ų4273.3 Ų73.326%0.25534%0.34SS..Hα-helixtrans-67.1-43.7-177.6173.40000111.6Y10 F12 I172 Y173 K179 Q180Y10-V176 HydrophobicContact CD1-CG1 4.11Å; Y10-V176 HydrophobicContact CE1-CG1 3.93Å; F12-V176 HydrophobicContact CE1-CB 4.46Å; F12-V176 HydrophobicContact CE1-CG1 4.4Å; F12-V176 HydrophobicContact CE1-CG2 4.18Å; F12-V176 HydrophobicContact CZ-CB 4.41Å; F12-V176 HydrophobicContact CZ-CG2 4.39Å; I172-V176 HydrophobicContact CG2-CG2 4.11Å; I172-V176 WeakPolarHBondContact O-CB 3.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 2.82Å; Y173-V176 PolarHBondContact O-N 2.73Å; V176-K179 PolarHBondContact O-N 3.01Å; V176-Q180 WeakPolarHBondContact O-CG 3.3Å; V176-Q180 PolarHBondContact O-N 2.71Å
177S92.3Very high89.3Confident13 Ų1376.6 Ų76.69%0.09136%0.359CS..Hα-helixtrans-68.6-39.1-179.659.50000112.5Y173 R174 Q180 M181Y173-S177 WeakPolarHBondContact O-CB 3.07Å; Y173-S177 PolarHBondContact O-N 2.95Å; Y173-S177 PolarHBondContact O-OG 3.49Å; R174-S177 PolarHBondContact O-OG 2.81Å; S177-Q180 PolarHBondContact O-N 2.72Å; S177-M181 WeakPolarHBondContact O-CE 2.9Å; S177-M181 WeakPolarHBondContact O-CG 3.31Å; S177-M181 PolarHBondContact O-N 2.94Å; S177-M181 VanDerWaalsContact O-N 3.08Å
178Q90.8Very high88Confident125 Ų12580.9 Ų80.958%0.58438%0.38SS*.Hα-helixtrans-61.3-43.5174-75171.68.600111.8R174 M181 S182R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.33Å; R174-Q178 WeakPolarHBondContact O-CG 3.48Å; R174-Q178 PolarHBondContact O-N 3Å; R174-Q178 VanDerWaalsContact O-N 3.1Å; Q178-M181 PolarHBondContact O-N 3.44Å; Q178-S182 PolarHBondContact O-N 3.45Å
179K88.8Confident86.1Confident119 Ų11988.4 Ų88.452%0.51742%0.417SS..Hα-helixtrans-64.1-42.3176.9-171.3176.71791800112.5I175 V176 M181 S182 D183I175-K179 PolarHBondContact O-N 2.91Å; I175-K179 VanDerWaalsContact O-N 3.17Å; V176-K179 PolarHBondContact O-N 3.01Å; K179-M181 PolarHBondContact O-N 3.19Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.29Å; K179-S182 PolarHBondContact O-OG 3.09Å; K179-D183 PolarHBondContact O-N 3.32Å
180Q86.1Confident83.9Confident78 Ų7892.1 Ų92.136%0.36444%0.443SS..Hα-helixtrans-62.5-32.5175.2-73.7-179.8-8.400112.7Y10 V176 S177 R184Y10-Q180 PolarHBondContact OH-OE1 2.77Å; V176-Q180 WeakPolarHBondContact O-CG 3.3Å; V176-Q180 PolarHBondContact O-N 2.71Å; S177-Q180 PolarHBondContact O-N 2.72Å; Q180-R184 VanDerWaalsContact O-CG 3.31Å; Q180-R184 WeakPolarHBondContact O-CG 3.41Å; Q180-R184 PolarHBondContact O-N 3.48Å
181M82.7Confident81.8Confident106 Ų10696.6 Ų96.652%0.52247%0.473SS..Hα-helixtrans-73-37.3176.1-74.2-172.8-95.600112.8S177 Q178 K179 R185S177-M181 WeakPolarHBondContact O-CE 2.9Å; S177-M181 WeakPolarHBondContact O-CG 3.31Å; S177-M181 PolarHBondContact O-N 2.94Å; S177-M181 VanDerWaalsContact O-N 3.08Å; Q178-M181 PolarHBondContact O-N 3.44Å; K179-M181 PolarHBondContact O-N 3.19Å; M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.15Å
182S83.9Confident79.6Confident51 Ų5198.5 Ų98.536%0.35749%0.493SS..Hα-helixtrans-66.3-46.3175.154.80000111.7Q178 K179 R184 R185 E186Q178-S182 PolarHBondContact O-N 3.45Å; K179-S182 WeakPolarHBondContact CA-OG 3.42Å; K179-S182 PolarHBondContact O-N 3.29Å; K179-S182 PolarHBondContact O-OG 3.09Å; S182-R184 VanDerWaalsContact C-N 3.26Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 VanDerWaalsContact O-N 3.07Å; S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.14Å
183D82.9Confident77.1Confident71 Ų71105.3 Ų105.338%0.3853%0.529SS..Hα-helixtrans-63.8-33.6-176.5-62.6-5.9000111.7K179 N187K179-D183 PolarHBondContact O-N 3.32Å; D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.12Å
184R78.1Confident74.9Confident174 Ų174111 Ų11166%0.65756%0.561SS**Hα-helixtrans-67.1-40.7174.2-75.6177.9-176.1-177.82.8112.6Q180 S182 N187 D188Q180-R184 VanDerWaalsContact O-CG 3.31Å; Q180-R184 WeakPolarHBondContact O-CG 3.41Å; Q180-R184 PolarHBondContact O-N 3.48Å; S182-R184 VanDerWaalsContact C-N 3.26Å; S182-R184 PolarHBondContact O-N 3.04Å; R184-N187 PolarHBondContact O-N 3Å; R184-D188 PolarHBondContact O-N 3.09Å
185R75.8Confident72.7Confident182 Ų182109.9 Ų109.969%0.68757%0.569SS**Hα-helixtrans-66.3-37.5179.1-71.6177.7-179.3-173.91.3112.1M181 S182 M189M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.15Å; S182-R185 PolarHBondContact O-N 3.02Å; S182-R185 VanDerWaalsContact O-N 3.07Å; R185-M189 WeakPolarHBondContact O-CB 3.33Å; R185-M189 WeakPolarHBondContact O-CG 3.31Å; R185-M189 PolarHBondContact O-N 2.86Å; R185-M189 VanDerWaalsContact O-N 3.14Å
186E73.7Confident71.2Confident137 Ų137111.2 Ų111.264%0.6458%0.581SS**Hα-helixtrans-67.9-39.8177-69.4-177.4178.300112S182 M189 S190S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.14Å; E186-M189 PolarHBondContact O-N 3.31Å; E186-S190 PolarHBondContact O-N 3.14Å
187N70.3Confident69.1Low119 Ų119114.4 Ų114.464%0.63660%0.603SS**Hα-helixtrans-66.8-39.9175.8-74-31000112.5D183 R184 M189 S190D183-N187 PolarHBondContact O-N 2.92Å; D183-N187 PolarHBondContact O-ND2 3.12Å; R184-N187 PolarHBondContact O-N 3Å; N187-M189 VanDerWaalsContact C-N 3.25Å; N187-M189 PolarHBondContact O-N 2.89Å; N187-S190 PolarHBondContact O-N 3.03Å
188D70.7Confident67.5Low147 Ų147121.2 Ų121.279%0.78664%0.636SS**Hα-helixtrans-68.7-22.2175.8-75.5-18000112.9R184R184-D188 PolarHBondContact O-N 3.09Å
189M59Low65.6Low158 Ų158123.4 Ų123.478%0.77865%0.646SS**THydrogen-bonded Turntrans-935.7177.9-72.3177.881.500114.2R185 E186 N187 P191R185-M189 WeakPolarHBondContact O-CB 3.33Å; R185-M189 WeakPolarHBondContact O-CG 3.31Å; R185-M189 PolarHBondContact O-N 2.86Å; R185-M189 VanDerWaalsContact O-N 3.14Å; E186-M189 PolarHBondContact O-N 3.31Å; N187-M189 VanDerWaalsContact C-N 3.25Å; N187-M189 PolarHBondContact O-N 2.89Å; M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.2Å
190S51.8Low64.2Low79 Ų79123.3 Ų123.355%0.55266%0.655SS**SBendtrans-65.8115.7170.7-68.20000109.7E186 N187 S192E186-S190 PolarHBondContact O-N 3.14Å; N187-S190 PolarHBondContact O-N 3.03Å; S190-S192 PolarHBondContact O-N 2.69Å
191P53.9Low62.6Low120 Ų120124.1 Ų124.178%0.77967%0.667SS**  trans-66.5116.4-174.625.4-31.7000109.4M189 N193M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.2Å; P191-N193 PolarHBondContact O-N 3.1Å
192S51.3Low61Low102 Ų102124.8 Ų124.871%0.71368%0.679SS**  trans-52.4111.6161.4-810000107.7S190 N194S190-S192 PolarHBondContact O-N 2.69Å; S192-N194 PolarHBondContact O-N 2.84Å
193N46.4Very low59.4Low145 Ų145128.9 Ų128.978%0.77570%0.702SS**  trans-66.478.9175.8-134.95.8000107.7P191 V195P191-N193 PolarHBondContact O-N 3.1Å; N193-V195 PolarHBondContact O-N 3.12Å
194N51.3Low57.7Low144 Ų144131.7 Ų131.777%0.7772%0.723SS**  trans-73.562.4167-80.3-16.8000108.6S192 V196S192-N194 PolarHBondContact O-N 2.84Å; N194-V196 VanDerWaalsContact C-N 3.26Å; N194-V196 PolarHBondContact O-N 2.95Å; N194-V196 VanDerWaalsContact O-N 3.16Å
195V49.2Very low56Low110 Ų110132.2 Ų132.267%0.66773%0.733SS**  trans-81.386161.3-176.20000105.8N193 P197N193-V195 PolarHBondContact O-N 3.12Å; V195-P197 WeakPolarHBondContact O-CD 3.38Å
196V63.4Low54.5Low113 Ų113130.5 Ų130.569%0.68574%0.737SS**  trans-74.6121163.9-177.50000106.5N194 I198N194-V196 VanDerWaalsContact C-N 3.26Å; N194-V196 PolarHBondContact O-N 2.95Å; N194-V196 VanDerWaalsContact O-N 3.16Å; V196-I198 PolarHBondContact O-N 3.5Å; V196-I198 VanDerWaalsContact O-N 3.09Å
197P48.8Very low52.8Low110 Ų110133 Ų13371%0.71475%0.746SS**  trans-61.7116173.3-18.631.1000108.9V195 H199V195-P197 WeakPolarHBondContact O-CD 3.38Å; P197-H199 PolarHBondContact O-N 3.16Å
198I58.4Low51.6Low155 Ų155132.6 Ų132.680%0.79575%0.749SS**  trans-71.399171-60.4172000106.6V196 V200V196-I198 PolarHBondContact O-N 3.5Å; V196-I198 VanDerWaalsContact O-N 3.09Å; I198-V200 HydrophobicContact CG2-CG2 3.86Å; I198-V200 PolarHBondContact O-N 2.69Å
199H51.3Low50.2Low172 Ų172134.6 Ų134.680%0.79675%0.751SS**  trans-79.8103.1169-151.6-64.7000107.4P197 P201P197-H199 PolarHBondContact O-N 3.16Å; H199-P201 WeakPolarHBondContact O-CD 3.31Å
200V59.4Low49.6Very low116 Ų116133.6 Ų133.670%0.70375%0.754SS**  trans-82.8109171.7-173.60000107.4I198I198-V200 HydrophobicContact CG2-CG2 3.86Å; I198-V200 PolarHBondContact O-N 2.69Å
201P51.5Low49Very low95 Ų95138.8 Ų138.862%0.61777%0.769SS**  trans-69.5143171.727.8-31.6000109.9H199 T203H199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-T203 PolarHBondContact O-N 3.19Å
202P49.5Very low48.2Very low120 Ų120138.1 Ų138.178%0.77977%0.766SS**  trans-62.9125.1178.623.6-30.5000110.2T204P202-T204 PolarHBondContact O-N 3.29Å; P202-T204 VanDerWaalsContact O-N 3.08Å
203T51.1Low47.6Very low137 Ų137138.3 Ų138.384%0.8477%0.766SS**  trans-56.1112.8167.129.80000109P201 E205P201-T203 PolarHBondContact O-N 3.19Å; T203-E205 PolarHBondContact O-N 3.38Å
204T47.7Very low47.3Very low131 Ų131139.6 Ų139.680%0.80477%0.768SS**  trans-61.8104.9171.748.10000108.7P202 N206P202-T204 PolarHBondContact O-N 3.29Å; P202-T204 VanDerWaalsContact O-N 3.08Å; T204-N206 PolarHBondContact O-N 3.28Å; T204-N206 VanDerWaalsContact O-N 3.09Å
205E41.9Very low46.7Very low185 Ų185139.5 Ų139.586%0.86477%0.767SS**  trans-58.2108.7160.2-69.2-178.1165.300107.8T203T203-E205 PolarHBondContact O-N 3.38Å
206N43.2Very low46.6Very low145 Ų145145.5 Ų145.578%0.77579%0.793SS**  trans-148.7105.5162-115.7-25.8000112T204T204-N206 PolarHBondContact O-N 3.28Å; T204-N206 VanDerWaalsContact O-N 3.09Å
207K39.6Very low45.8Very low191 Ų191147.1 Ų147.183%0.8380%0.798SS**  trans103.2150.2156.2-61.9-175.4173.91790117
208P44.7Very low45.6Very low109 Ų109149.1 Ų149.171%0.70880%0.803SS**  -135.9162.7-58.534.3-16.6000112.7
209K41.2Very low44.9Very low189 Ų189148.7 Ų148.782%0.82280%0.803SS**  trans49.1103150.3-70.9-176.1175.1-175.20118.4
210V45.5Very low44.5Very low138 Ų138147.4 Ų147.484%0.83680%0.804SS**  trans-125.1114.9139.1-174.70000108
211Q39.8Very low43.6Very low187 Ų187149.3 Ų149.387%0.87481%0.81SS**  trans-86.4111.2-179.1-175.3167.5-7.500107.3
212C36.4Very low43.1Very low106 Ų106152.9 Ų152.972%0.71682%0.823SS**  trans-114.2118178-92.60000111.9
213C40.1Very low42.6Very low107 Ų107155.3 Ų155.372%0.72383%0.826SS**  trans61.2107138.6-54.90000121.2
214Q38.4Very low42Very low172 Ų172156.7 Ų156.780%0.80483%0.825SS**  30.7123.9117.7-66.2-179.8-27.900118.7
215N39.4Very low41.5Very low141 Ų141158.8 Ų158.875%0.75483%0.826SS**  -179.1129102.5-95.1-17.7000113.3
216I47.7Very low41.4Very low236 Ų236156.5 Ų156.5100%1.2182%0.823SS**  trans660157.9-50.2170.8000117.5

Retrieved 216 of 216 residues in 720.8 ms (Link to these results)