ECFA2_STAA8 Loading...

Energy-coupling factor transporter ATP-binding protein EcfA2

ATP-binding (A) component of a common energy-coupling factor (ECF) ABC-transporter complex. Unlike classic ABC transporters this ECF transporter provides the energy necessary to transport a number of different substrates.

AlphaFold DB , UniProt , Accession Q2FW35, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene ecfA2, Length 286 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M88.4Confident96.7Very high25 Ų2533.5 Ų33.512%0.12316%0.162CC..  0139.20-178.5175.2-175.600108.4Q32 V66 D67 R86 I87 D165 I166M1-Q32 HydrophobicContact CB-CB 4.43Å; M1-Q32 VanDerWaalsContact O-CB 3.3Å; M1-Q32 WeakPolarHBondContact O-CB 3.31Å; M1-Q32 PolarHBondContact O-N 3.17Å; M1-V66 HydrophobicContact CE-CG1 3.17Å; M1-D67 WeakPolarHBondContact CA-OD1 3.49Å; M1-R86 HydrophobicContact CE-CB 3.59Å; M1-R86 VanDerWaalsContact CG-NH2 3.28Å; M1-R86 HydrophobicContact SD-CB 4.11Å; M1-R86 VanDerWaalsContact SD-CZ 3.58Å; M1-R86 PolarHBondContact SD-NH2 3.23Å; M1-I87 HydrophobicContact CE-CD1 4.34Å; M1-I87 HydrophobicContact CE-CG1 3.98Å; M1-D165 HydrophobicContact CB-CB 4.44Å; M1-D165 HydrophobicContact SD-CB 3.26Å; M1-D165 WeakPolarHBondContact SD-CB 3.04Å; M1-D165 VanDerWaalsContact SD-OD2 3.36Å; M1-I166 HydrophobicContact CE-CD1 3.9Å; M1-I166 HydrophobicContact CE-CG1 4.36Å; M1-I166 HydrophobicContact CG-CD1 3.92Å; M1-I166 HydrophobicContact CG-CG1 4.46Å; M1-I166 HydrophobicContact SD-CD1 3.75Å; M1-I166 HydrophobicContact SD-CG1 3.85Å
2T94.6Very high96.7Very high48 Ų4836.9 Ų36.929%0.29417%0.173SC..EExtended strand (participates in β ladder)trans-138.9142-178.2-32.40000110.5E29 F30 E31 D67T2-E29 HydrophobicContact CG2-CG 3.62Å; T2-E29 WeakPolarHBondContact CG2-OE1 3.48Å; T2-F30 CarbonylContact C-O 3.57Å; T2-F30 WeakPolarHBondContact CA-O 3.32Å; T2-F30 WeakPolarHBondContact CG2-O 3.46Å; T2-E31 HydrophobicContact CG2-CG 4.23Å; T2-D67 PolarHBondContact N-OD1 2.72Å; T2-D67 PolarHBondContact O-N 2.96Å
3I96.4Very high96.6Very high0 Ų042.9 Ų42.90%020%0.201CC..EExtended strand (participates in β ladder)trans-117.7120.7172.1-54.8-178.3000108.3F5 E29 F30 I53 V64 T65 V66 I87 I166I3-F5 HydrophobicContact CG2-CD2 4.1Å; I3-F5 HydrophobicContact CG2-CE2 3.73Å; I3-E29 CarbonylContact O-C 3.58Å; I3-E29 VanDerWaalsContact O-CA 3.24Å; I3-E29 WeakPolarHBondContact O-CA 3.43Å; I3-F30 HydrophobicContact CB-CB 4.23Å; I3-F30 HydrophobicContact CB-CD2 4.21Å; I3-F30 HydrophobicContact CG2-CD2 4.36Å; I3-F30 PolarHBondContact N-O 2.69Å; I3-F30 PolarHBondContact O-N 2.85Å; I3-I53 HydrophobicContact CD1-CG2 3.4Å; I3-V64 HydrophobicContact CG2-CG1 3.93Å; I3-T65 CarbonylContact C-O 3.53Å; I3-T65 VanDerWaalsContact CA-O 3.29Å; I3-T65 WeakPolarHBondContact CA-O 3.48Å; I3-V66 HydrophobicContact CG1-CG1 4.38Å; I3-V66 HydrophobicContact CG1-CG2 4.2Å; I3-V66 HydrophobicContact CG2-CG2 4.23Å; I3-I87 HydrophobicContact CD1-CD1 3.53Å; I3-I87 HydrophobicContact CD1-CG1 4.28Å; I3-I87 HydrophobicContact CG1-CD1 4.48Å; I3-I166 HydrophobicContact CD1-CD1 3.34Å; I3-I166 HydrophobicContact CD1-CG2 4.24Å; I3-I166 HydrophobicContact CG1-CD1 3.45Å; I3-I166 VanDerWaalsContact CG1-CD1 3.45Å
4R97.8Very high96.3Very high110 Ų11049.5 Ų49.542%0.41523%0.228SC..EExtended strand (participates in β ladder)trans-117.5131.1178.6-165.8178.971.1-148.5-2.7111.4D6 V64 T65R4-D6 WeakPolarHBondContact CD-OD1 3.13Å; R4-D6 IonicContact CZ-OD1 3.49Å; R4-D6 IonicContact CZ-OD2 3.9Å; R4-D6 VanDerWaalsContact CZ-OD2 3.31Å; R4-D6 VanDerWaalsContact NE-CG 3.32Å; R4-D6 IonicContact NE-OD1 2.77Å; R4-D6 PolarHBondContact NE-OD1 3.38Å; R4-D6 IonicContact NE-OD2 2.79Å; R4-D6 PolarHBondContact NE-OD2 3.11Å; R4-D6 IonicContact NH2-OD2 3.62Å; R4-D6 PolarHBondContact NH2-OD2 3.02Å; R4-V64 CarbonylContact O-C 3.53Å; R4-V64 WeakPolarHBondContact O-CA 3.49Å; R4-T65 PolarHBondContact N-O 3.23Å; R4-T65 PolarHBondContact O-N 2.93Å
5F98.3Very high96.2Very high2 Ų251.1 Ų51.11%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-100.7120.6171.2-77.4-119.8000108.2I3 V8 V26 N27 T28 F30 L49 N52 I53 V64I3-F5 HydrophobicContact CG2-CD2 4.1Å; I3-F5 HydrophobicContact CG2-CE2 3.73Å; F5-V8 HydrophobicContact CB-CB 4.46Å; F5-V8 HydrophobicContact CB-CG2 3.95Å; F5-V8 HydrophobicContact CD1-CB 3.71Å; F5-V8 HydrophobicContact CD1-CG1 3.89Å; F5-V8 HydrophobicContact CD1-CG2 3.65Å; F5-V8 HydrophobicContact CE1-CB 4.46Å; F5-V8 HydrophobicContact CE1-CG1 4.14Å; F5-V8 HydrophobicContact CE1-CG2 4.48Å; F5-V8 HydrophobicContact CG-CG2 4.11Å; F5-V26 HydrophobicContact CD1-CG1 4.22Å; F5-N27 WeakPolarHBondContact O-CA 3.35Å; F5-T28 HydrophobicContact CB-CG2 4.03Å; F5-T28 HydrophobicContact CD2-CG2 4.03Å; F5-T28 HydrophobicContact CG-CG2 4.02Å; F5-T28 PolarHBondContact N-O 3.2Å; F5-T28 PolarHBondContact O-N 3.07Å; F5-F30 HydrophobicContact CD2-CE2 4.33Å; F5-F30 HydrophobicContact CE2-CD2 4.46Å; F5-F30 HydrophobicContact CE2-CE2 4.07Å; F5-L49 HydrophobicContact CD1-CD1 3.87Å; F5-L49 HydrophobicContact CE1-CD1 3.42Å; F5-L49 VanDerWaalsContact CE1-CD1 3.42Å; F5-L49 HydrophobicContact CZ-CD1 3.88Å; F5-N52 HydrophobicContact CE1-CB 3.77Å; F5-N52 HydrophobicContact CZ-CB 4.01Å; F5-I53 HydrophobicContact CE2-CG1 3.96Å; F5-I53 HydrophobicContact CZ-CG1 3.74Å; F5-V64 HydrophobicContact CD1-CG2 4Å; F5-V64 HydrophobicContact CD2-CG1 4.33Å; F5-V64 HydrophobicContact CD2-CG2 4.47Å; F5-V64 HydrophobicContact CE1-CG2 3.78Å; F5-V64 HydrophobicContact CE2-CG1 3.95Å; F5-V64 HydrophobicContact CE2-CG2 4.29Å; F5-V64 HydrophobicContact CG-CG2 4.31Å; F5-V64 HydrophobicContact CZ-CG1 4.22Å; F5-V64 HydrophobicContact CZ-CG2 3.93Å
6D98Very high96.1Very high42 Ų4251.4 Ų51.423%0.22527%0.269CS..EExtended strand (participates in β ladder)trans-116.2105.3177-61.8-44.5000108.9R4 V8 G62 T63R4-D6 WeakPolarHBondContact CD-OD1 3.13Å; R4-D6 IonicContact CZ-OD1 3.49Å; R4-D6 IonicContact CZ-OD2 3.9Å; R4-D6 VanDerWaalsContact CZ-OD2 3.31Å; R4-D6 VanDerWaalsContact NE-CG 3.32Å; R4-D6 IonicContact NE-OD1 2.77Å; R4-D6 PolarHBondContact NE-OD1 3.38Å; R4-D6 IonicContact NE-OD2 2.79Å; R4-D6 PolarHBondContact NE-OD2 3.11Å; R4-D6 IonicContact NH2-OD2 3.62Å; R4-D6 PolarHBondContact NH2-OD2 3.02Å; D6-V8 VanDerWaalsContact C-N 3.29Å; D6-V8 PolarHBondContact O-N 3.38Å; D6-G62 CarbonylContact O-C 3.51Å; D6-G62 WeakPolarHBondContact O-CA 3.36Å; D6-T63 PolarHBondContact N-O 3.35Å; D6-T63 PolarHBondContact O-N 3.13Å
7N98Very high96.1Very high90 Ų9055.9 Ų55.948%0.48130%0.301SS..EExtended strand (participates in β ladder)trans48.643.7-179.6-59.8104000114.4S9 V26 N27 G62N7-S9 PolarHBondContact O-N 3.15Å; N7-V26 PolarHBondContact N-O 3.15Å; N7-N27 PolarHBondContact N-OD1 3.31Å; N7-N27 PolarHBondContact ND2-ND2 3.21Å; N7-G62 VanDerWaalsContact O-CA 3.28Å; N7-G62 WeakPolarHBondContact O-CA 2.89Å
8V98.2Very high96Very high0 Ų062.9 Ų62.90%033%0.325CS..EExtended strand (participates in β ladder)trans-77.1122.7-173.6173.20000110.8F5 D6 I23 D25 V26 P59 T61 T63 V64F5-V8 HydrophobicContact CB-CB 4.46Å; F5-V8 HydrophobicContact CB-CG2 3.95Å; F5-V8 HydrophobicContact CD1-CB 3.71Å; F5-V8 HydrophobicContact CD1-CG1 3.89Å; F5-V8 HydrophobicContact CD1-CG2 3.65Å; F5-V8 HydrophobicContact CE1-CB 4.46Å; F5-V8 HydrophobicContact CE1-CG1 4.14Å; F5-V8 HydrophobicContact CE1-CG2 4.48Å; F5-V8 HydrophobicContact CG-CG2 4.11Å; D6-V8 VanDerWaalsContact C-N 3.29Å; D6-V8 PolarHBondContact O-N 3.38Å; V8-I23 HydrophobicContact CG1-CD1 3.96Å; V8-D25 PolarHBondContact O-N 3.21Å; V8-V26 PolarHBondContact N-O 3.24Å; V8-V26 PolarHBondContact O-N 3.49Å; V8-P59 HydrophobicContact CG1-CB 3.91Å; V8-T61 WeakPolarHBondContact CA-O 3.03Å; V8-T63 WeakPolarHBondContact CG2-O 3.3Å; V8-V64 HydrophobicContact CG1-CG2 4.45Å; V8-V64 HydrophobicContact CG2-CG2 3.84Å
9S98.3Very high96Very high2 Ų265.1 Ų65.11%0.01433%0.333CS..EExtended strand (participates in β ladder)trans-120.9149.1165.7-59.70000111.1N7 Q21 I23 H24 D25 T60 T61N7-S9 PolarHBondContact O-N 3.15Å; S9-Q21 PolarHBondContact OG-NE2 3.35Å; S9-I23 CarbonylContact C-O 3.47Å; S9-I23 VanDerWaalsContact CA-O 3.27Å; S9-I23 WeakPolarHBondContact CA-O 3.32Å; S9-I23 WeakPolarHBondContact CB-O 3.32Å; S9-H24 WeakPolarHBondContact OG-CA 3.46Å; S9-D25 PolarHBondContact OG-N 3.4Å; S9-D25 PolarHBondContact OG-OD1 3.01Å; S9-T60 WeakPolarHBondContact O-CA 3.14Å; S9-T60 WeakPolarHBondContact O-CB 3.33Å; S9-T60 PolarHBondContact O-N 3.46Å; S9-T61 WeakPolarHBondContact CB-OG1 3.24Å; S9-T61 PolarHBondContact N-O 2.78Å; S9-T61 PolarHBondContact O-N 2.86Å; S9-T61 PolarHBondContact OG-OG1 3.25Å
10Y98.2Very high96Very high37 Ų3767.6 Ų67.615%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-133.8128.4174-172.9-91.4000111.3Y12 A22 I23 T48 L57 K58Y10-Y12 AromaticContact CD1-CD2 3.89Å; Y10-Y12 HydrophobicContact CD1-CD2 3.89Å; Y10-Y12 AromaticContact CD1-CE2 3.76Å; Y10-Y12 HydrophobicContact CD1-CE2 3.76Å; Y10-Y12 HydrophobicContact CD1-CG 4.37Å; Y10-Y12 AromaticContact CE1-CD1 3.71Å; Y10-Y12 HydrophobicContact CE1-CD1 3.71Å; Y10-Y12 AromaticContact CE1-CD2 3.66Å; Y10-Y12 HydrophobicContact CE1-CD2 3.66Å; Y10-Y12 AromaticContact CE1-CE1 3.67Å; Y10-Y12 HydrophobicContact CE1-CE1 3.67Å; Y10-Y12 AromaticContact CE1-CE2 3.63Å; Y10-Y12 HydrophobicContact CE1-CE2 3.63Å; Y10-Y12 AromaticContact CE1-CG 3.7Å; Y10-Y12 HydrophobicContact CE1-CG 3.7Å; Y10-Y12 AromaticContact CE1-CZ 3.63Å; Y10-A22 PolarHBondContact O-N 3.04Å; Y10-I23 PolarHBondContact N-O 2.94Å; Y10-I23 PolarHBondContact O-N 3.46Å; Y10-T48 HydrophobicContact CD1-CG2 3.56Å; Y10-T48 HydrophobicContact CE1-CG2 4.44Å; Y10-T48 HydrophobicContact CG-CG2 3.89Å; Y10-L57 HydrophobicContact CD1-CD1 4.12Å; Y10-L57 HydrophobicContact CD2-CB 4.14Å; Y10-L57 HydrophobicContact CE1-CD1 3.72Å; Y10-L57 HydrophobicContact CE2-CB 3.77Å; Y10-L57 HydrophobicContact CE2-CD1 4.2Å; Y10-L57 HydrophobicContact CE2-CD2 4.3Å; Y10-L57 HydrophobicContact CE2-CG 4.3Å; Y10-L57 WeakPolarHBondContact OH-CD2 3.38Å; Y10-K58 WeakPolarHBondContact CD2-O 3.15Å; Y10-K58 WeakPolarHBondContact CE2-O 3.42Å
11T97.5Very high96Very high12 Ų1268.7 Ų68.77%0.07435%0.347CS..EExtended strand (participates in β ladder)trans-120.8114.9-179.6-53.20000110K14 Q19 H20 T60T11-K14 HydrophobicContact CG2-CB 4.17Å; T11-Q19 HydrophobicContact CG2-CG 3.18Å; T11-H20 CarbonylContact C-O 3.55Å; T11-H20 WeakPolarHBondContact CA-O 3.49Å; T11-T60 PolarHBondContact N-OG1 2.82Å
12Y96.7Very high96.4Very high75 Ų7567.9 Ų67.929%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-67.7139.5169.7-72.5-86.6000110.1Y10 K14 Q19 H20 A22 T48 L57Y10-Y12 AromaticContact CD1-CD2 3.89Å; Y10-Y12 HydrophobicContact CD1-CD2 3.89Å; Y10-Y12 AromaticContact CD1-CE2 3.76Å; Y10-Y12 HydrophobicContact CD1-CE2 3.76Å; Y10-Y12 HydrophobicContact CD1-CG 4.37Å; Y10-Y12 AromaticContact CE1-CD1 3.71Å; Y10-Y12 HydrophobicContact CE1-CD1 3.71Å; Y10-Y12 AromaticContact CE1-CD2 3.66Å; Y10-Y12 HydrophobicContact CE1-CD2 3.66Å; Y10-Y12 AromaticContact CE1-CE1 3.67Å; Y10-Y12 HydrophobicContact CE1-CE1 3.67Å; Y10-Y12 AromaticContact CE1-CE2 3.63Å; Y10-Y12 HydrophobicContact CE1-CE2 3.63Å; Y10-Y12 AromaticContact CE1-CG 3.7Å; Y10-Y12 HydrophobicContact CE1-CG 3.7Å; Y10-Y12 AromaticContact CE1-CZ 3.63Å; Y12-K14 PolarHBondContact O-N 3.23Å; Y12-Q19 WeakPolarHBondContact O-CA 3.36Å; Y12-H20 PolarHBondContact N-O 3.4Å; Y12-H20 PolarHBondContact O-N 2.82Å; Y12-H20 VanDerWaalsContact O-N 3.11Å; Y12-A22 HydrophobicContact CD2-CB 3.74Å; Y12-A22 HydrophobicContact CE2-CB 3.53Å; Y12-T48 HydrophobicContact CE2-CG2 4.03Å; Y12-T48 WeakPolarHBondContact CE2-OG1 3.46Å; Y12-T48 PolarHBondContact OH-OG1 2.94Å; Y12-T48 VanDerWaalsContact OH-OG1 3.13Å; Y12-L57 HydrophobicContact CE1-CD1 4.21Å; Y12-L57 VanDerWaalsContact OH-CD1 3.32Å; Y12-L57 WeakPolarHBondContact OH-CD1 3.5Å
13Q94.8Very high96.6Very high115 Ų11565.6 Ų65.654%0.53733%0.33SS..THydrogen-bonded Turntrans50.842.3175.8-48.6-171.92800113.1G15 T16Q13-G15 PolarHBondContact O-N 3.46Å; Q13-T16 HydrophobicContact CB-CG2 4.22Å; Q13-T16 WeakPolarHBondContact CB-OG1 3.33Å; Q13-T16 PolarHBondContact O-N 3.04Å; Q13-T16 PolarHBondContact O-OG1 3.03Å; Q13-T16 VanDerWaalsContact O-OG1 3.07Å
14K93.1Very high96.5Very high135 Ų13568.5 Ų68.559%0.58734%0.344SS*.THydrogen-bonded Turntrans-52131.1178.3-173.6179.3-174.7173.60111.1T11 Y12 T60T11-K14 HydrophobicContact CG2-CB 4.17Å; Y12-K14 PolarHBondContact O-N 3.23Å; K14-T60 HydrophobicContact CD-CG2 3.65Å
15G94.3Very high96.5Very high73 Ų7367.8 Ų67.875%0.75335%0.348SS*.THydrogen-bonded Turntrans82.96.9-179.800000115Q13Q13-G15 PolarHBondContact O-N 3.46Å
16T95.7Very high96.5Very high57 Ų5767.8 Ų67.835%0.3535%0.348SS..SBendtrans-109.8164.1171.284.80000111.1Q13 Y18 Q19Q13-T16 HydrophobicContact CB-CG2 4.22Å; Q13-T16 WeakPolarHBondContact CB-OG1 3.33Å; Q13-T16 PolarHBondContact O-N 3.04Å; Q13-T16 PolarHBondContact O-OG1 3.03Å; Q13-T16 VanDerWaalsContact O-OG1 3.07Å; T16-Y18 PolarHBondContact O-N 2.96Å; T16-Y18 VanDerWaalsContact O-N 3.15Å; T16-Y18 PolarHBondContact OG1-N 2.68Å; T16-Q19 VanDerWaalsContact O-CB 3.31Å; T16-Q19 WeakPolarHBondContact O-CB 3.23Å; T16-Q19 PolarHBondContact O-N 2.7Å; T16-Q19 VanDerWaalsContact O-N 3.15Å
17P94.7Very high96.5Very high127 Ų12769.4 Ų69.483%0.82536%0.357SS*.THydrogen-bonded Turntrans-60.4-18.7173.3-24.635.5000114.6Q19P17-Q19 VanDerWaalsContact C-N 3.32Å
18Y94.6Very high96.5Very high183 Ų18365.6 Ų65.672%0.71834%0.337SS*.THydrogen-bonded Turntrans-96.818.5179.7-53.8-70000112.4T16 H20T16-Y18 PolarHBondContact O-N 2.96Å; T16-Y18 VanDerWaalsContact O-N 3.15Å; T16-Y18 PolarHBondContact OG1-N 2.68Å; Y18-H20 PolarHBondContact O-N 3.26Å
19Q96.1Very high96.4Very high103 Ų10369.3 Ų69.348%0.48135%0.354SS..  trans-56.9126.1179.1-175.8177.3-77.200111T11 Y12 T16 P17T11-Q19 HydrophobicContact CG2-CG 3.18Å; Y12-Q19 WeakPolarHBondContact O-CA 3.36Å; T16-Q19 VanDerWaalsContact O-CB 3.31Å; T16-Q19 WeakPolarHBondContact O-CB 3.23Å; T16-Q19 PolarHBondContact O-N 2.7Å; T16-Q19 VanDerWaalsContact O-N 3.15Å; P17-Q19 VanDerWaalsContact C-N 3.32Å
20H95.9Very high96.4Very high115 Ų11569.2 Ų69.253%0.53235%0.354SS..EExtended strand (participates in β ladder)trans-135.6120.2175.4178.667.4000110.8T11 Y12 Y18 A22T11-H20 CarbonylContact C-O 3.55Å; T11-H20 WeakPolarHBondContact CA-O 3.49Å; Y12-H20 PolarHBondContact N-O 3.4Å; Y12-H20 PolarHBondContact O-N 2.82Å; Y12-H20 VanDerWaalsContact O-N 3.11Å; Y18-H20 PolarHBondContact O-N 3.26Å; H20-A22 PolarHBondContact O-N 2.82Å
21Q96Very high96.3Very high91 Ų9172 Ų7243%0.42537%0.368SS..EExtended strand (participates in β ladder)trans-86106175.6-171.8169.47.400109.6S9 I23 H24S9-Q21 PolarHBondContact OG-NE2 3.35Å; Q21-I23 WeakPolarHBondContact CG-O 3.36Å; Q21-H24 HydrophobicContact CG-CB 4.4Å
22A97.5Very high96.2Very high9 Ų974.6 Ų74.67%0.07438%0.379CS..EExtended strand (participates in β ladder)trans-87.8-28-173.500000113.1Y10 Y12 H20 G45 T48 G222Y10-A22 PolarHBondContact O-N 3.04Å; Y12-A22 HydrophobicContact CD2-CB 3.74Å; Y12-A22 HydrophobicContact CE2-CB 3.53Å; H20-A22 PolarHBondContact O-N 2.82Å; A22-G45 WeakPolarHBondContact O-CA 3.12Å; A22-T48 HydrophobicContact CB-CG2 3.96Å; A22-T48 WeakPolarHBondContact CB-OG1 3.41Å; A22-G222 WeakPolarHBondContact O-CA 3.23Å
23I97.8Very high96.2Very high0 Ų072 Ų720%038%0.375CS..EExtended strand (participates in β ladder)trans-135.5144.8167.458.3171.3000110.6V8 S9 Y10 Q21 V26 T48 M219 G222V8-I23 HydrophobicContact CG1-CD1 3.96Å; S9-I23 CarbonylContact C-O 3.47Å; S9-I23 VanDerWaalsContact CA-O 3.27Å; S9-I23 WeakPolarHBondContact CA-O 3.32Å; S9-I23 WeakPolarHBondContact CB-O 3.32Å; Y10-I23 PolarHBondContact N-O 2.94Å; Y10-I23 PolarHBondContact O-N 3.46Å; Q21-I23 WeakPolarHBondContact CG-O 3.36Å; I23-V26 HydrophobicContact CB-CG2 3.94Å; I23-V26 HydrophobicContact CG2-CG2 4.48Å; I23-T48 HydrophobicContact CD1-CG2 4.33Å; I23-T48 HydrophobicContact CG1-CG2 4.1Å; I23-T48 HydrophobicContact CG2-CG2 4.39Å; I23-M219 HydrophobicContact CG2-CE 3.89Å; I23-G222 CarbonylContact C-O 3.58Å; I23-G222 WeakPolarHBondContact CA-O 3.3Å
24H96.1Very high96.3Very high60 Ų6069.1 Ų69.128%0.27836%0.361SS..EExtended strand (participates in β ladder)trans-135.9129.3-177.553.394.3000111.8S9 Q21 V26 E221 G222 S223S9-H24 WeakPolarHBondContact OG-CA 3.46Å; Q21-H24 HydrophobicContact CG-CB 4.4Å; H24-V26 PolarHBondContact O-N 3.06Å; H24-E221 PolarHBondContact CD2-O 3.08Å; H24-E221 PolarHBondContact NE2-O 2.92Å; H24-G222 VanDerWaalsContact CD2-C 3.49Å; H24-G222 PolarHBondContact N-O 3.25Å; H24-S223 WeakPolarHBondContact CE1-CB 3.47Å; H24-S223 PolarHBondContact CE1-OG 3.46Å; H24-S223 PolarHBondContact ND1-OG 2.96Å; H24-S223 PolarHBondContact O-OG 3.09Å
25D96.6Very high96.6Very high96 Ų9662.7 Ų62.751%0.51333%0.333SS..EExtended strand (participates in β ladder)trans43.540.4175.9-60.3-37000114.9V8 S9 N27V8-D25 PolarHBondContact O-N 3.21Å; S9-D25 PolarHBondContact OG-N 3.4Å; S9-D25 PolarHBondContact OG-OD1 3.01Å; D25-N27 PolarHBondContact O-N 3.24Å; D25-N27 PolarHBondContact O-ND2 3.37Å
26V98Very high96.8Very high1 Ų159.3 Ų59.31%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-69.8124.5-179.7174.30000109.7F5 N7 V8 I23 H24 T28 L49 I224F5-V26 HydrophobicContact CD1-CG1 4.22Å; N7-V26 PolarHBondContact N-O 3.15Å; V8-V26 PolarHBondContact N-O 3.24Å; V8-V26 PolarHBondContact O-N 3.49Å; I23-V26 HydrophobicContact CB-CG2 3.94Å; I23-V26 HydrophobicContact CG2-CG2 4.48Å; H24-V26 PolarHBondContact O-N 3.06Å; V26-T28 HydrophobicContact CG1-CG2 4.2Å; V26-L49 HydrophobicContact CG1-CD1 3.92Å; V26-I224 HydrophobicContact CG1-CD1 3.58Å; V26-I224 HydrophobicContact CG1-CG1 4.1Å
27N98Very high96.9Very high77 Ų7756.6 Ų56.641%0.41228%0.281SS..EExtended strand (participates in β ladder)trans-122.5119.8171-65.7-84.5000108F5 N7 D25F5-N27 WeakPolarHBondContact O-CA 3.35Å; N7-N27 PolarHBondContact N-OD1 3.31Å; N7-N27 PolarHBondContact ND2-ND2 3.21Å; D25-N27 PolarHBondContact O-N 3.24Å; D25-N27 PolarHBondContact O-ND2 3.37Å
28T97.9Very high97.1Very high10 Ų1050.6 Ų50.66%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-163.2162.6179-165.40000110.3F5 V26 F30 I224 Q227F5-T28 HydrophobicContact CB-CG2 4.03Å; F5-T28 HydrophobicContact CD2-CG2 4.03Å; F5-T28 HydrophobicContact CG-CG2 4.02Å; F5-T28 PolarHBondContact N-O 3.2Å; F5-T28 PolarHBondContact O-N 3.07Å; V26-T28 HydrophobicContact CG1-CG2 4.2Å; T28-F30 HydrophobicContact CG2-CE2 3.72Å; T28-F30 HydrophobicContact CG2-CZ 4.09Å; T28-I224 HydrophobicContact CG2-CD1 3.94Å; T28-Q227 PolarHBondContact OG1-NE2 3.48Å; T28-Q227 PolarHBondContact OG1-OE1 3.34Å
29E97.3Very high97.2Very high78 Ų7841.9 Ų41.936%0.36421%0.207SC..EExtended strand (participates in β ladder)trans-137.7138.4-179.1-171.8164.4-162.600110.7T2 I3 Y36T2-E29 HydrophobicContact CG2-CG 3.62Å; T2-E29 WeakPolarHBondContact CG2-OE1 3.48Å; I3-E29 CarbonylContact O-C 3.58Å; I3-E29 VanDerWaalsContact O-CA 3.24Å; I3-E29 WeakPolarHBondContact O-CA 3.43Å; E29-Y36 PolarHBondContact O-OH 3.06Å
30F97.3Very high97.2Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-118119175.5-56.7-85000109.8T2 I3 F5 T28 Y36 I38 I53 I200 I217T2-F30 CarbonylContact C-O 3.57Å; T2-F30 WeakPolarHBondContact CA-O 3.32Å; T2-F30 WeakPolarHBondContact CG2-O 3.46Å; I3-F30 HydrophobicContact CB-CB 4.23Å; I3-F30 HydrophobicContact CB-CD2 4.21Å; I3-F30 HydrophobicContact CG2-CD2 4.36Å; I3-F30 PolarHBondContact N-O 2.69Å; I3-F30 PolarHBondContact O-N 2.85Å; F5-F30 HydrophobicContact CD2-CE2 4.33Å; F5-F30 HydrophobicContact CE2-CD2 4.46Å; F5-F30 HydrophobicContact CE2-CE2 4.07Å; T28-F30 HydrophobicContact CG2-CE2 3.72Å; T28-F30 HydrophobicContact CG2-CZ 4.09Å; F30-Y36 WeakPolarHBondContact CA-OH 3.34Å; F30-Y36 HydrophobicContact CB-CD2 4.45Å; F30-Y36 HydrophobicContact CB-CE2 4.03Å; F30-Y36 AromaticContact CD1-CD1 3.87Å; F30-Y36 HydrophobicContact CD1-CD1 3.87Å; F30-Y36 AromaticContact CD1-CD2 3.68Å; F30-Y36 HydrophobicContact CD1-CD2 3.68Å; F30-Y36 HydrophobicContact CD1-CE1 4.15Å; F30-Y36 AromaticContact CD1-CE2 3.97Å; F30-Y36 HydrophobicContact CD1-CE2 3.97Å; F30-Y36 AromaticContact CD1-CG 3.61Å; F30-Y36 HydrophobicContact CD1-CG 3.61Å; F30-Y36 HydrophobicContact CE1-CD1 4.19Å; F30-Y36 HydrophobicContact CE1-CG 4.05Å; F30-I38 HydrophobicContact CE1-CD1 4.37Å; F30-I38 HydrophobicContact CZ-CD1 4.17Å; F30-I53 HydrophobicContact CE2-CD1 4.04Å; F30-I53 HydrophobicContact CE2-CG1 4.44Å; F30-I53 HydrophobicContact CZ-CD1 4.19Å; F30-I200 HydrophobicContact CB-CD1 4.05Å; F30-I200 HydrophobicContact CD1-CD1 3.39Å; F30-I200 HydrophobicContact CD1-CG1 3.76Å; F30-I200 HydrophobicContact CD2-CD1 4.09Å; F30-I200 HydrophobicContact CE1-CD1 3.75Å; F30-I200 HydrophobicContact CE1-CG1 4.07Å; F30-I200 HydrophobicContact CE1-CG2 4.02Å; F30-I200 HydrophobicContact CE2-CD1 4.4Å; F30-I200 HydrophobicContact CG-CD1 3.58Å; F30-I200 HydrophobicContact CG-CG1 4.38Å; F30-I200 HydrophobicContact CZ-CD1 4.24Å; F30-I217 HydrophobicContact CD1-CD1 4.43Å; F30-I217 HydrophobicContact CE1-CD1 3.48Å; F30-I217 VanDerWaalsContact CE1-CD1 3.48Å; F30-I217 HydrophobicContact CZ-CD1 3.72Å
31E96.1Very high97.1Very high94 Ų9437 Ų3744%0.43919%0.19SC..EExtended strand (participates in β ladder)trans-100.7145.9-178.3-62.5176.4167.500111.3T2 Y36 A198T2-E31 HydrophobicContact CG2-CG 4.23Å; E31-Y36 PolarHBondContact N-OH 3.29Å; E31-A198 WeakPolarHBondContact O-CB 3.27Å
32Q95.2Very high96.9Very high68 Ų6839.5 Ų39.532%0.31821%0.212SC..THydrogen-bonded Turntrans-60.3143.6172.1-174.1166.910.500111.9M1 K34 N196M1-Q32 HydrophobicContact CB-CB 4.43Å; M1-Q32 VanDerWaalsContact O-CB 3.3Å; M1-Q32 WeakPolarHBondContact O-CB 3.31Å; M1-Q32 PolarHBondContact O-N 3.17Å; Q32-K34 VanDerWaalsContact C-N 3.28Å; Q32-K34 PolarHBondContact O-N 3.42Å; Q32-N196 WeakPolarHBondContact CG-O 3.49Å; Q32-N196 PolarHBondContact NE2-O 3.37Å
33G97.1Very high96.6Very high19 Ų1942.4 Ų42.420%0.19624%0.243CC..THydrogen-bonded Turntrans78.97.3177.900000114.5Q192 N196G33-Q192 WeakPolarHBondContact O-CG 3.39Å; G33-Q192 PolarHBondContact O-NE2 3.47Å; G33-N196 WeakPolarHBondContact CA-OD1 3.44Å
34K97.9Very high96.5Very high56 Ų5642.7 Ų42.724%0.24325%0.245CC..  trans-114.1145.9179.7-161173.8-161.11760112.1Q32 Y36 A198 I199 D214 E215Q32-K34 VanDerWaalsContact C-N 3.28Å; Q32-K34 PolarHBondContact O-N 3.42Å; K34-Y36 HydrophobicContact CB-CD2 4.26Å; K34-Y36 HydrophobicContact CB-CE2 3.63Å; K34-Y36 HydrophobicContact CD-CE1 4.02Å; K34-Y36 HydrophobicContact CD-CE2 3.96Å; K34-Y36 WeakPolarHBondContact CD-OH 3.11Å; K34-Y36 HydrophobicContact CG-CD2 4.44Å; K34-Y36 HydrophobicContact CG-CE2 3.96Å; K34-A198 WeakPolarHBondContact O-CA 3.45Å; K34-I199 PolarHBondContact O-N 3.34Å; K34-D214 HydrophobicContact CG-CB 3.79Å; K34-E215 WeakPolarHBondContact CE-OE2 3.3Å; K34-E215 IonicContact NZ-OE2 2.57Å; K34-E215 PolarHBondContact NZ-OE2 3.25Å
35Y98.6Very high96.5Very high0 Ų040.1 Ų40.10%024%0.235CC..EExtended strand (participates in β ladder)trans-101106.1176-157.2-58.4000110.1M185 L188 K189 I199 L201 A213 D214 E215Y35-M185 VanDerWaalsContact OH-CE 3.3Å; Y35-M185 WeakPolarHBondContact OH-CE 3.19Å; Y35-L188 HydrophobicContact CE2-CB 4.16Å; Y35-K189 HydrophobicContact CD2-CD 4.09Å; Y35-I199 HydrophobicContact CD1-CB 4.27Å; Y35-I199 HydrophobicContact CD1-CG2 4.32Å; Y35-I199 HydrophobicContact CD2-CB 3.72Å; Y35-I199 HydrophobicContact CD2-CG1 3.84Å; Y35-I199 HydrophobicContact CD2-CG2 4.04Å; Y35-I199 HydrophobicContact CE1-CB 4.35Å; Y35-I199 HydrophobicContact CE1-CG2 3.9Å; Y35-I199 HydrophobicContact CE2-CB 3.82Å; Y35-I199 HydrophobicContact CE2-CG1 3.98Å; Y35-I199 HydrophobicContact CE2-CG2 3.61Å; Y35-I199 HydrophobicContact CG-CB 3.95Å; Y35-I199 HydrophobicContact CG-CG1 4.49Å; Y35-I199 HydrophobicContact CG-CG2 4.37Å; Y35-L201 HydrophobicContact CE1-CB 3.75Å; Y35-L201 HydrophobicContact CE1-CD2 3.99Å; Y35-A213 HydrophobicContact CD1-CB 4.24Å; Y35-D214 WeakPolarHBondContact CB-OD2 3.37Å; Y35-D214 PolarHBondContact N-OD2 3.07Å; Y35-D214 PolarHBondContact O-N 3.19Å; Y35-E215 PolarHBondContact O-N 3.33Å
36Y98.6Very high96.4Very high2 Ų236.6 Ų36.61%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-95139.7176-63.9-92.4000111.1E29 F30 E31 K34 I199 I200 L201 E215 I217E29-Y36 PolarHBondContact O-OH 3.06Å; F30-Y36 WeakPolarHBondContact CA-OH 3.34Å; F30-Y36 HydrophobicContact CB-CD2 4.45Å; F30-Y36 HydrophobicContact CB-CE2 4.03Å; F30-Y36 AromaticContact CD1-CD1 3.87Å; F30-Y36 HydrophobicContact CD1-CD1 3.87Å; F30-Y36 AromaticContact CD1-CD2 3.68Å; F30-Y36 HydrophobicContact CD1-CD2 3.68Å; F30-Y36 HydrophobicContact CD1-CE1 4.15Å; F30-Y36 AromaticContact CD1-CE2 3.97Å; F30-Y36 HydrophobicContact CD1-CE2 3.97Å; F30-Y36 AromaticContact CD1-CG 3.61Å; F30-Y36 HydrophobicContact CD1-CG 3.61Å; F30-Y36 HydrophobicContact CE1-CD1 4.19Å; F30-Y36 HydrophobicContact CE1-CG 4.05Å; E31-Y36 PolarHBondContact N-OH 3.29Å; K34-Y36 HydrophobicContact CB-CD2 4.26Å; K34-Y36 HydrophobicContact CB-CE2 3.63Å; K34-Y36 HydrophobicContact CD-CE1 4.02Å; K34-Y36 HydrophobicContact CD-CE2 3.96Å; K34-Y36 WeakPolarHBondContact CD-OH 3.11Å; K34-Y36 HydrophobicContact CG-CD2 4.44Å; K34-Y36 HydrophobicContact CG-CE2 3.96Å; Y36-I199 PolarHBondContact N-O 3.18Å; Y36-I200 HydrophobicContact CD2-CG1 4.47Å; Y36-L201 PolarHBondContact O-N 3.47Å; Y36-E215 CarbonylContact C-O 3.54Å; Y36-E215 WeakPolarHBondContact CA-O 3.37Å; Y36-E215 HydrophobicContact CD1-CB 3.96Å; Y36-E215 HydrophobicContact CD1-CG 4.24Å; Y36-E215 HydrophobicContact CE1-CB 4.12Å; Y36-E215 HydrophobicContact CE1-CG 4.26Å; Y36-E215 WeakPolarHBondContact CE1-OE2 3.22Å; Y36-I217 HydrophobicContact CD1-CD1 4.23Å
37A98.3Very high96.3Very high0 Ų039.1 Ų39.10%023%0.233CC..EExtended strand (participates in β ladder)trans-112.1132.1164.200000110.2V39 L201 V209 A213 E215 V216 I217A37-V39 HydrophobicContact CB-CG1 4.38Å; A37-L201 CarbonylContact C-O 3.56Å; A37-L201 VanDerWaalsContact CA-O 3.29Å; A37-L201 WeakPolarHBondContact CA-O 3.18Å; A37-V209 HydrophobicContact CB-CB 4.33Å; A37-V209 HydrophobicContact CB-CG1 3.77Å; A37-V209 HydrophobicContact CB-CG2 3.85Å; A37-A213 HydrophobicContact CB-CB 3.79Å; A37-E215 PolarHBondContact N-O 2.96Å; A37-V216 HydrophobicContact CB-CG1 4.33Å; A37-V216 HydrophobicContact CB-CG2 4.41Å; A37-V216 CarbonylContact O-C 3.47Å; A37-V216 WeakPolarHBondContact O-CA 3.37Å; A37-I217 PolarHBondContact O-N 3.09Å
38I98Very high96.2Very high0 Ų036 Ų360%022%0.216CC..EExtended strand (participates in β ladder)trans-107.7116.2171.8-56.3173.6000107.7F30 K46 L49 I50 I200 L201 I202 I217 M219F30-I38 HydrophobicContact CE1-CD1 4.37Å; F30-I38 HydrophobicContact CZ-CD1 4.17Å; I38-K46 HydrophobicContact CG2-CB 4.12Å; I38-K46 HydrophobicContact CG2-CD 4.16Å; I38-K46 HydrophobicContact CG2-CG 3.91Å; I38-L49 HydrophobicContact CD1-CD2 4.03Å; I38-L49 HydrophobicContact CG2-CD2 4.4Å; I38-I50 HydrophobicContact CD1-CG2 3.9Å; I38-I200 HydrophobicContact CD1-CG2 3.47Å; I38-I200 VanDerWaalsContact CD1-CG2 3.47Å; I38-I200 HydrophobicContact CG1-CG2 4.04Å; I38-L201 PolarHBondContact N-O 2.77Å; I38-I202 HydrophobicContact CB-CG1 4.25Å; I38-I217 WeakPolarHBondContact CA-O 3.34Å; I38-I217 HydrophobicContact CG1-CB 4.34Å; I38-I217 HydrophobicContact CG1-CD1 4.44Å; I38-M219 HydrophobicContact CG2-CG 4Å; I38-M219 HydrophobicContact CG2-SD 4.42Å
39V97.2Very high96.1Very high0 Ų035.5 Ų35.50%021%0.213CC..EExtended strand (participates in β ladder)trans-124.4161-173.5-55.10000111A37 M206 V209 V216 I217 V218 M219 I245A37-V39 HydrophobicContact CB-CG1 4.38Å; V39-M206 HydrophobicContact CB-CE 4.19Å; V39-M206 HydrophobicContact CG1-CE 3.68Å; V39-M206 HydrophobicContact CG1-SD 4.26Å; V39-V209 HydrophobicContact CG1-CG1 4.49Å; V39-V209 HydrophobicContact CG1-CG2 3.88Å; V39-V216 HydrophobicContact CB-CG1 4.42Å; V39-V216 HydrophobicContact CG1-CG1 3.94Å; V39-V216 HydrophobicContact CG2-CG1 3.57Å; V39-I217 PolarHBondContact N-O 3.32Å; V39-V218 HydrophobicContact CG2-CB 4.34Å; V39-V218 HydrophobicContact CG2-CG1 4.48Å; V39-V218 HydrophobicContact CG2-CG2 3.82Å; V39-M219 PolarHBondContact O-N 2.79Å; V39-I245 HydrophobicContact CG2-CD1 3.82Å
40G95.3Very high96.1Very high21 Ų2131.9 Ų31.922%0.21620%0.196CC..  trans143.1170.5178.800000112K46 M219G40-K46 PolarHBondContact O-NZ 3.35Å; G40-M219 WeakPolarHBondContact CA-O 3.39Å
41Q93.4Very high96Very high95 Ų9533.7 Ų33.744%0.44421%0.205SC..  trans-60.2156.9-178.8-69.3-171.3-8.700113.4G43 S44 K46 H244Q41-G43 PolarHBondContact O-N 3.01Å; Q41-S44 VanDerWaalsContact O-CB 3.25Å; Q41-S44 WeakPolarHBondContact O-CB 3.41Å; Q41-S44 PolarHBondContact O-N 2.88Å; Q41-S44 VanDerWaalsContact O-N 3.11Å; Q41-S44 PolarHBondContact O-OG 3.44Å; Q41-K46 PolarHBondContact O-NZ 3.25Å; Q41-H244 HydrophobicContact CG-CB 4.03Å; Q41-H244 PolarHBondContact NE2-CD2 3.09Å; Q41-H244 VanDerWaalsContact NE2-CD2 3.32Å; Q41-H244 PolarHBondContact NE2-ND1 3.26Å
42T92Very high96Very high144 Ų14429.2 Ų29.288%0.88318%0.184SC*.THydrogen-bonded Turntrans-55.2134.6166.5-57.70000109.9S44T42-S44 VanDerWaalsContact C-N 3.33Å
43G92.6Very high96Very high70 Ų7026 Ų2672%0.72217%0.169SC*.THydrogen-bonded Turntrans822.3-176.100000115.2Q41 G45Q41-G43 PolarHBondContact O-N 3.01Å; G43-G45 PolarHBondContact O-N 3.4Å
44S95.1Very high95.6Very high5 Ų525.9 Ų25.94%0.03516%0.164CC..SBendtrans-74.3-0.9178.271.40000115.4Q41 T42 K46 M219 G222Q41-S44 VanDerWaalsContact O-CB 3.25Å; Q41-S44 WeakPolarHBondContact O-CB 3.41Å; Q41-S44 PolarHBondContact O-N 2.88Å; Q41-S44 VanDerWaalsContact O-N 3.11Å; Q41-S44 PolarHBondContact O-OG 3.44Å; T42-S44 VanDerWaalsContact C-N 3.33Å; S44-K46 WeakPolarHBondContact OG-CG 3.2Å; S44-M219 VanDerWaalsContact CB-O 3.25Å; S44-M219 WeakPolarHBondContact CB-O 3.49Å; S44-M219 WeakPolarHBondContact O-CE 3.46Å; S44-M219 WeakPolarHBondContact OG-CB 3.38Å; S44-M219 PolarHBondContact OG-O 3.33Å; S44-G222 VanDerWaalsContact O-CA 3.3Å; S44-G222 WeakPolarHBondContact O-CA 3.36Å; S44-G222 PolarHBondContact O-N 3.1Å
45G95.7Very high95.4Very high7 Ų723.3 Ų23.37%0.07215%0.153CC..SBendtrans101.1-1.2179.300000115.6A22 G43 S47 T48 L49A22-G45 WeakPolarHBondContact O-CA 3.12Å; G43-G45 PolarHBondContact O-N 3.4Å; G45-S47 PolarHBondContact O-N 3.26Å; G45-T48 WeakPolarHBondContact O-CB 3.27Å; G45-T48 PolarHBondContact O-N 2.99Å; G45-T48 VanDerWaalsContact O-N 3.08Å; G45-L49 PolarHBondContact O-N 3.02Å
46K95.8Very high95.2Very high22 Ų2227.4 Ų27.410%0.09618%0.175CC..Hα-helixtrans-52.6-51.5-177.6-53-174.5-60.9-74.80113.4I38 G40 Q41 S44 T48 L49 I50 I202 M219I38-K46 HydrophobicContact CG2-CB 4.12Å; I38-K46 HydrophobicContact CG2-CD 4.16Å; I38-K46 HydrophobicContact CG2-CG 3.91Å; G40-K46 PolarHBondContact O-NZ 3.35Å; Q41-K46 PolarHBondContact O-NZ 3.25Å; S44-K46 WeakPolarHBondContact OG-CG 3.2Å; K46-T48 VanDerWaalsContact C-N 3.29Å; K46-T48 PolarHBondContact O-N 2.92Å; K46-L49 WeakPolarHBondContact O-CB 3.47Å; K46-L49 PolarHBondContact O-N 2.98Å; K46-I50 PolarHBondContact O-N 3.32Å; K46-I202 HydrophobicContact CB-CD1 3.95Å; K46-I202 HydrophobicContact CB-CG2 4.47Å; K46-I202 HydrophobicContact CD-CG2 4.08Å; K46-M219 HydrophobicContact CB-SD 4.5Å; K46-M219 HydrophobicContact CG-CB 3.99Å; K46-M219 HydrophobicContact CG-CG 4.29Å; K46-M219 HydrophobicContact CG-SD 4.2Å
47S94.4Very high95Very high54 Ų5428.5 Ų28.538%0.37818%0.18SC..Hα-helixtrans-63.6-36.2179.8-510000111.7G45 I50 Q51G45-S47 PolarHBondContact O-N 3.26Å; S47-I50 WeakPolarHBondContact O-CG1 2.99Å; S47-Q51 WeakPolarHBondContact O-CG 3.41Å; S47-Q51 PolarHBondContact O-N 3.49Å; S47-Q51 VanDerWaalsContact O-N 3.16Å
48T96.2Very high94.9Very high11 Ų1131.9 Ų31.97%0.06720%0.195CC..Hα-helixtrans-68.6-41.8174.7-550000111.4Y10 Y12 A22 I23 G45 K46 Q51 N52 L57Y10-T48 HydrophobicContact CD1-CG2 3.56Å; Y10-T48 HydrophobicContact CE1-CG2 4.44Å; Y10-T48 HydrophobicContact CG-CG2 3.89Å; Y12-T48 HydrophobicContact CE2-CG2 4.03Å; Y12-T48 WeakPolarHBondContact CE2-OG1 3.46Å; Y12-T48 PolarHBondContact OH-OG1 2.94Å; Y12-T48 VanDerWaalsContact OH-OG1 3.13Å; A22-T48 HydrophobicContact CB-CG2 3.96Å; A22-T48 WeakPolarHBondContact CB-OG1 3.41Å; I23-T48 HydrophobicContact CD1-CG2 4.33Å; I23-T48 HydrophobicContact CG1-CG2 4.1Å; I23-T48 HydrophobicContact CG2-CG2 4.39Å; G45-T48 WeakPolarHBondContact O-CB 3.27Å; G45-T48 PolarHBondContact O-N 2.99Å; G45-T48 VanDerWaalsContact O-N 3.08Å; K46-T48 VanDerWaalsContact C-N 3.29Å; K46-T48 PolarHBondContact O-N 2.92Å; T48-Q51 PolarHBondContact O-N 3.46Å; T48-N52 PolarHBondContact O-N 3.35Å; T48-N52 VanDerWaalsContact O-N 3.16Å; T48-N52 PolarHBondContact O-ND2 2.6Å; T48-L57 HydrophobicContact CG2-CD1 4.1Å
49L96.9Very high94.9Very high0 Ų032 Ų320%020%0.195CC..Hα-helixtrans-56.7-52.4175.6177.560.8000110.5F5 V26 I38 G45 K46 Q51 N52 I53 M219F5-L49 HydrophobicContact CD1-CD1 3.87Å; F5-L49 HydrophobicContact CE1-CD1 3.42Å; F5-L49 VanDerWaalsContact CE1-CD1 3.42Å; F5-L49 HydrophobicContact CZ-CD1 3.88Å; V26-L49 HydrophobicContact CG1-CD1 3.92Å; I38-L49 HydrophobicContact CD1-CD2 4.03Å; I38-L49 HydrophobicContact CG2-CD2 4.4Å; G45-L49 PolarHBondContact O-N 3.02Å; K46-L49 WeakPolarHBondContact O-CB 3.47Å; K46-L49 PolarHBondContact O-N 2.98Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 3.35Å; L49-N52 WeakPolarHBondContact O-CB 3.47Å; L49-N52 PolarHBondContact O-N 2.74Å; L49-I53 PolarHBondContact O-N 2.75Å; L49-M219 HydrophobicContact CB-SD 3.97Å; L49-M219 HydrophobicContact CD2-CG 4.37Å; L49-M219 HydrophobicContact CD2-SD 3.58Å; L49-M219 VanDerWaalsContact CD2-SD 3.58Å; L49-M219 HydrophobicContact CG-SD 4.41Å
50I95.7Very high94.9Very high1 Ų133.1 Ų33.11%0.00520%0.202CC..Hα-helixtrans-64.8-31-179.460.7159.8000113.6I38 K46 S47 N52 I53 M89 V168 D170 I202I38-I50 HydrophobicContact CD1-CG2 3.9Å; K46-I50 PolarHBondContact O-N 3.32Å; S47-I50 WeakPolarHBondContact O-CG1 2.99Å; I50-N52 PolarHBondContact O-N 2.98Å; I50-I53 HydrophobicContact CB-CD1 4.29Å; I50-I53 HydrophobicContact CG2-CD1 4.04Å; I50-I53 VanDerWaalsContact O-CB 3.28Å; I50-I53 WeakPolarHBondContact O-CB 3.46Å; I50-I53 PolarHBondContact O-N 3.02Å; I50-M89 HydrophobicContact CB-CE 3.99Å; I50-M89 HydrophobicContact CD1-CE 3.75Å; I50-M89 HydrophobicContact CG1-CE 3.93Å; I50-M89 WeakPolarHBondContact O-CE 3.45Å; I50-V168 HydrophobicContact CB-CG1 3.8Å; I50-V168 HydrophobicContact CD1-CG1 4.24Å; I50-V168 HydrophobicContact CG2-CG1 3.71Å; I50-D170 HydrophobicContact CD1-CB 4.08Å; I50-I202 HydrophobicContact CB-CD1 4.32Å; I50-I202 HydrophobicContact CD1-CD1 3.46Å; I50-I202 VanDerWaalsContact CD1-CD1 3.46Å; I50-I202 HydrophobicContact CG1-CD1 3.79Å; I50-I202 HydrophobicContact CG2-CD1 3.62Å; I50-I202 HydrophobicContact CG2-CG1 4Å
51Q96Very high95Very high39 Ų3935.1 Ų35.118%0.18221%0.211CC..Hα-helixtrans-72.4-20175.7-70.3174.426.100112.7S47 T48 L49 N54 L56 L57 M89 F91S47-Q51 WeakPolarHBondContact O-CG 3.41Å; S47-Q51 PolarHBondContact O-N 3.49Å; S47-Q51 VanDerWaalsContact O-N 3.16Å; T48-Q51 PolarHBondContact O-N 3.46Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 3.35Å; Q51-N54 PolarHBondContact O-OD1 3.47Å; Q51-L56 HydrophobicContact CB-CB 4.25Å; Q51-L56 HydrophobicContact CB-CD2 4.43Å; Q51-L56 HydrophobicContact CG-CD2 3.94Å; Q51-L56 PolarHBondContact O-N 3.26Å; Q51-L57 HydrophobicContact CB-CB 4.25Å; Q51-L57 HydrophobicContact CB-CD1 3.89Å; Q51-L57 HydrophobicContact CB-CG 3.81Å; Q51-L57 PolarHBondContact O-N 2.96Å; Q51-M89 HydrophobicContact CG-CE 4.46Å; Q51-F91 HydrophobicContact CG-CE1 4.29Å
52N96.4Very high95.2Very high0 Ų032 Ų320%020%0.204CC..Hα-helixtrans-77.6-26.2171.1-79.8-114.6000111.5F5 T48 L49 I50 N54 A55 L57 V64F5-N52 HydrophobicContact CE1-CB 3.77Å; F5-N52 HydrophobicContact CZ-CB 4.01Å; T48-N52 PolarHBondContact O-N 3.35Å; T48-N52 VanDerWaalsContact O-N 3.16Å; T48-N52 PolarHBondContact O-ND2 2.6Å; L49-N52 WeakPolarHBondContact O-CB 3.47Å; L49-N52 PolarHBondContact O-N 2.74Å; I50-N52 PolarHBondContact O-N 2.98Å; N52-N54 PolarHBondContact O-N 3.2Å; N52-A55 PolarHBondContact O-N 3.37Å; N52-L57 WeakPolarHBondContact CA-O 3.31Å; N52-V64 HydrophobicContact CB-CG2 4.46Å
53I94.6Very high95.5Very high0 Ų027 Ų270%017%0.173CC..Hα-helixtrans-59.1-49-179.1-63.1-179.9000111.5I3 F5 F30 L49 I50 I87 V168 I200I3-I53 HydrophobicContact CD1-CG2 3.4Å; F5-I53 HydrophobicContact CE2-CG1 3.96Å; F5-I53 HydrophobicContact CZ-CG1 3.74Å; F30-I53 HydrophobicContact CE2-CD1 4.04Å; F30-I53 HydrophobicContact CE2-CG1 4.44Å; F30-I53 HydrophobicContact CZ-CD1 4.19Å; L49-I53 PolarHBondContact O-N 2.75Å; I50-I53 HydrophobicContact CB-CD1 4.29Å; I50-I53 HydrophobicContact CG2-CD1 4.04Å; I50-I53 VanDerWaalsContact O-CB 3.28Å; I50-I53 WeakPolarHBondContact O-CB 3.46Å; I50-I53 PolarHBondContact O-N 3.02Å; I53-I87 HydrophobicContact CG2-CD1 4.09Å; I53-I87 HydrophobicContact CG2-CG2 3.98Å; I53-I87 VanDerWaalsContact O-CD1 3.28Å; I53-I87 WeakPolarHBondContact O-CD1 3.21Å; I53-V168 HydrophobicContact CD1-CG2 4.33Å; I53-V168 HydrophobicContact CG2-CG2 4.11Å; I53-I200 HydrophobicContact CD1-CD1 3.76Å; I53-I200 HydrophobicContact CD1-CG2 4.31Å; I53-I200 HydrophobicContact CG2-CD1 4.49Å
54N89Confident95.7Very high16 Ų1623.6 Ų23.69%0.08614%0.139CC..THydrogen-bonded Turntrans-96.89.3177.682.8-18.7000113.9Q51 N52 L56 R84 I87 M89Q51-N54 PolarHBondContact O-OD1 3.47Å; N52-N54 PolarHBondContact O-N 3.2Å; N54-L56 VanDerWaalsContact C-N 3.29Å; N54-L56 PolarHBondContact O-N 3.07Å; N54-L56 WeakPolarHBondContact OD1-CB 3.28Å; N54-L56 PolarHBondContact OD1-N 3.23Å; N54-R84 WeakPolarHBondContact O-CG 3.46Å; N54-I87 HydrophobicContact CB-CB 4.1Å; N54-I87 HydrophobicContact CB-CG2 3.92Å; N54-M89 HydrophobicContact CB-CG 4.17Å; N54-M89 HydrophobicContact CB-SD 3.93Å; N54-M89 WeakPolarHBondContact ND2-CG 3.2Å; N54-M89 PolarHBondContact ND2-SD 3Å; N54-M89 PolarHBondContact OD1-SD 2.99Å
55A93.4Very high95.8Very high2 Ų224.3 Ų24.32%0.01714%0.143CC..THydrogen-bonded Turntrans50.742.9-173.200000114.4N52 L57 I71 I80 R84N52-A55 PolarHBondContact O-N 3.37Å; A55-L57 WeakPolarHBondContact CA-O 3.46Å; A55-I71 HydrophobicContact CB-CD1 3.82Å; A55-I71 HydrophobicContact CB-CG1 4.42Å; A55-I71 HydrophobicContact CB-CG2 3.94Å; A55-I80 HydrophobicContact CB-CD1 4.01Å; A55-I80 HydrophobicContact CB-CG1 4.21Å; A55-I80 HydrophobicContact CB-CG2 3.68Å; A55-R84 PolarHBondContact O-NH2 3.04Å
56L93.6Very high95.8Very high87 Ų8724 Ų2446%0.45514%0.139SC..SBendtrans-62.8-40.5155.7-172.669.8000109.3Q51 N54 F91Q51-L56 HydrophobicContact CB-CB 4.25Å; Q51-L56 HydrophobicContact CB-CD2 4.43Å; Q51-L56 HydrophobicContact CG-CD2 3.94Å; Q51-L56 PolarHBondContact O-N 3.26Å; N54-L56 VanDerWaalsContact C-N 3.29Å; N54-L56 PolarHBondContact O-N 3.07Å; N54-L56 WeakPolarHBondContact OD1-CB 3.28Å; N54-L56 PolarHBondContact OD1-N 3.23Å; L56-F91 HydrophobicContact CD2-CE1 4.47Å; L56-F91 HydrophobicContact CD2-CZ 3.92Å
57L95.4Very high95.6Very high25 Ų2525.9 Ų25.913%0.13115%0.151CC..SBendtrans-109.8132166.6-62.1-176.5000109.5Y10 Y12 T48 Q51 N52 A55Y10-L57 HydrophobicContact CD1-CD1 4.12Å; Y10-L57 HydrophobicContact CD2-CB 4.14Å; Y10-L57 HydrophobicContact CE1-CD1 3.72Å; Y10-L57 HydrophobicContact CE2-CB 3.77Å; Y10-L57 HydrophobicContact CE2-CD1 4.2Å; Y10-L57 HydrophobicContact CE2-CD2 4.3Å; Y10-L57 HydrophobicContact CE2-CG 4.3Å; Y10-L57 WeakPolarHBondContact OH-CD2 3.38Å; Y12-L57 HydrophobicContact CE1-CD1 4.21Å; Y12-L57 VanDerWaalsContact OH-CD1 3.32Å; Y12-L57 WeakPolarHBondContact OH-CD1 3.5Å; T48-L57 HydrophobicContact CG2-CD1 4.1Å; Q51-L57 HydrophobicContact CB-CB 4.25Å; Q51-L57 HydrophobicContact CB-CD1 3.89Å; Q51-L57 HydrophobicContact CB-CG 3.81Å; Q51-L57 PolarHBondContact O-N 2.96Å; N52-L57 WeakPolarHBondContact CA-O 3.31Å; A55-L57 WeakPolarHBondContact CA-O 3.46Å
58K96.1Very high95.4Very high71 Ų7129.8 Ų29.831%0.30917%0.167SC..  trans-86.5141.8171.5-71.5-179.8-74.3-178.80109.5Y10 T60 I71 T75 I80Y10-K58 WeakPolarHBondContact CD2-O 3.15Å; Y10-K58 WeakPolarHBondContact CE2-O 3.42Å; K58-T60 PolarHBondContact O-N 2.78Å; K58-I71 HydrophobicContact CG-CG2 4.31Å; K58-T75 WeakPolarHBondContact CD-O 3.32Å; K58-T75 PolarHBondContact NZ-O 3.06Å; K58-T75 VanDerWaalsContact NZ-O 3.08Å; K58-I80 HydrophobicContact CD-CD1 3.97Å; K58-I80 HydrophobicContact CG-CD1 4.11Å
59P97.4Very high95.3Very high1 Ų130.7 Ų30.71%0.00617%0.171CC..  trans-57.1141176.826.5-35.6000110.1V8 T61 H73V8-P59 HydrophobicContact CG1-CB 3.91Å; P59-T61 WeakPolarHBondContact CB-O 3.4Å; P59-H73 WeakPolarHBondContact O-CA 3.49Å; P59-H73 WeakPolarHBondContact O-CB 3.44Å; P59-H73 PolarHBondContact O-N 3.23Å
60T97.4Very high95.3Very high24 Ų2434 Ų3415%0.14719%0.192CC..SBendtrans-75.6-40.7171.8-63.80000110.8S9 T11 K14 K58S9-T60 WeakPolarHBondContact O-CA 3.14Å; S9-T60 WeakPolarHBondContact O-CB 3.33Å; S9-T60 PolarHBondContact O-N 3.46Å; T11-T60 PolarHBondContact N-OG1 2.82Å; K14-T60 HydrophobicContact CD-CG2 3.65Å; K58-T60 PolarHBondContact O-N 2.78Å
61T97.7Very high95.4Very high64 Ų6434 Ų3439%0.39319%0.192SC..EExtended strand (participates in β ladder)trans-137163.3170.163.90000109.2V8 S9 P59V8-T61 WeakPolarHBondContact CA-O 3.03Å; S9-T61 WeakPolarHBondContact CB-OG1 3.24Å; S9-T61 PolarHBondContact N-O 2.78Å; S9-T61 PolarHBondContact O-N 2.86Å; S9-T61 PolarHBondContact OG-OG1 3.25Å; P59-T61 WeakPolarHBondContact CB-O 3.4Å
62G97.6Very high95.4Very high29 Ų2934 Ų3430%0.29919%0.194SC..EExtended strand (participates in β ladder)trans75.1-169.6-17400000112.9D6 N7D6-G62 CarbonylContact O-C 3.51Å; D6-G62 WeakPolarHBondContact O-CA 3.36Å; N7-G62 VanDerWaalsContact O-CA 3.28Å; N7-G62 WeakPolarHBondContact O-CA 2.89Å
63T97.7Very high95.4Very high38 Ų3839 Ų3923%0.23322%0.217CC..EExtended strand (participates in β ladder)trans-141143.3-17659.30000112.2D6 V8 T70 I71 T72D6-T63 PolarHBondContact N-O 3.35Å; D6-T63 PolarHBondContact O-N 3.13Å; V8-T63 WeakPolarHBondContact CG2-O 3.3Å; T63-T70 HydrophobicContact CG2-CG2 4.09Å; T63-I71 WeakPolarHBondContact CA-O 3.47Å; T63-T72 HydrophobicContact CG2-CG2 3.77Å
64V97.6Very high95.4Very high0 Ų046.6 Ų46.60%025%0.25CS..EExtended strand (participates in β ladder)trans-108.2119.9167.9179.50000107.5I3 R4 F5 V8 N52 V66 I71I3-V64 HydrophobicContact CG2-CG1 3.93Å; R4-V64 CarbonylContact O-C 3.53Å; R4-V64 WeakPolarHBondContact O-CA 3.49Å; F5-V64 HydrophobicContact CD1-CG2 4Å; F5-V64 HydrophobicContact CD2-CG1 4.33Å; F5-V64 HydrophobicContact CD2-CG2 4.47Å; F5-V64 HydrophobicContact CE1-CG2 3.78Å; F5-V64 HydrophobicContact CE2-CG1 3.95Å; F5-V64 HydrophobicContact CE2-CG2 4.29Å; F5-V64 HydrophobicContact CG-CG2 4.31Å; F5-V64 HydrophobicContact CZ-CG1 4.22Å; F5-V64 HydrophobicContact CZ-CG2 3.93Å; V8-V64 HydrophobicContact CG1-CG2 4.45Å; V8-V64 HydrophobicContact CG2-CG2 3.84Å; N52-V64 HydrophobicContact CB-CG2 4.46Å; V64-V66 HydrophobicContact CG1-CG2 4.33Å; V64-I71 HydrophobicContact CB-CB 4.38Å; V64-I71 PolarHBondContact N-O 3.49Å; V64-I71 WeakPolarHBondContact O-CA 3.01Å; V64-I71 WeakPolarHBondContact O-CB 3.43Å; V64-I71 PolarHBondContact O-N 3.07Å
65T96.8Very high95.8Very high19 Ų1946.7 Ų46.712%0.11725%0.252CS..EExtended strand (participates in β ladder)trans-107.5124.3178.4-59.10000109.3I3 R4 D67 I69 T70I3-T65 CarbonylContact C-O 3.53Å; I3-T65 VanDerWaalsContact CA-O 3.29Å; I3-T65 WeakPolarHBondContact CA-O 3.48Å; R4-T65 PolarHBondContact N-O 3.23Å; R4-T65 PolarHBondContact O-N 2.93Å; T65-D67 VanDerWaalsContact CG2-O 3.23Å; T65-D67 WeakPolarHBondContact CG2-O 3.32Å; T65-I69 WeakPolarHBondContact CA-O 3.36Å; T65-T70 PolarHBondContact OG1-OG1 3.19Å
66V95.2Very high95.8Very high0 Ų053.4 Ų53.40%028%0.28CS..EExtended strand (participates in β ladder)trans-115.199.3176-178.40000107.5M1 I3 V64 D68 I69 I71 V83 I87M1-V66 HydrophobicContact CE-CG1 3.17Å; I3-V66 HydrophobicContact CG1-CG1 4.38Å; I3-V66 HydrophobicContact CG1-CG2 4.2Å; I3-V66 HydrophobicContact CG2-CG2 4.23Å; V64-V66 HydrophobicContact CG1-CG2 4.33Å; V66-D68 PolarHBondContact O-N 3.13Å; V66-I69 PolarHBondContact N-O 2.8Å; V66-I69 PolarHBondContact O-N 3.01Å; V66-I71 HydrophobicContact CG2-CD1 4.25Å; V66-V83 HydrophobicContact CB-CG1 4.28Å; V66-V83 HydrophobicContact CB-CG2 4.22Å; V66-V83 HydrophobicContact CG1-CG1 4.23Å; V66-V83 HydrophobicContact CG1-CG2 4.45Å; V66-V83 HydrophobicContact CG2-CG1 3.87Å; V66-I87 HydrophobicContact CG1-CD1 4.24Å; V66-I87 HydrophobicContact CG2-CD1 4.21Å
67D92.3Very high95.6Very high63 Ų6353.8 Ų53.834%0.33728%0.283SS..THydrogen-bonded Turntrans45.8-105.4-164.7-66.5-21000112.8M1 T2 T65 R86M1-D67 WeakPolarHBondContact CA-OD1 3.49Å; T2-D67 PolarHBondContact N-OD1 2.72Å; T2-D67 PolarHBondContact O-N 2.96Å; T65-D67 VanDerWaalsContact CG2-O 3.23Å; T65-D67 WeakPolarHBondContact CG2-O 3.32Å; D67-R86 IonicContact OD2-CZ 3.48Å; D67-R86 IonicContact OD2-NH1 3.7Å; D67-R86 PolarHBondContact OD2-NH1 3.44Å; D67-R86 IonicContact OD2-NH2 3.53Å; D67-R86 PolarHBondContact OD2-NH2 3.5Å
68D90.7Very high95.4Very high135 Ų13559.3 Ų59.372%0.72231%0.306SS*.THydrogen-bonded Turntrans-89.4-6.7-177.162.8-51.9000113.5V66V66-D68 PolarHBondContact O-N 3.13Å
69I94.1Very high95.2Very high30 Ų3062.2 Ų62.215%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-103.9107.9-175-56176000110.4T65 V66 I71 P82 V83T65-I69 WeakPolarHBondContact CA-O 3.36Å; V66-I69 PolarHBondContact N-O 2.8Å; V66-I69 PolarHBondContact O-N 3.01Å; I69-I71 HydrophobicContact CG2-CG1 4.37Å; I69-P82 HydrophobicContact CD1-CB 4.12Å; I69-V83 HydrophobicContact CB-CG2 4.04Å; I69-V83 HydrophobicContact CD1-CG2 3.71Å; I69-V83 HydrophobicContact CG1-CG2 4.47Å; I69-V83 HydrophobicContact CG2-CG2 3.8Å
70T96.2Very high94.9Very high71 Ų7162.1 Ų62.144%0.43632%0.315SS..EExtended strand (participates in β ladder)trans-89.5122.4171.2-53.70000111.7T63 T65 T72T63-T70 HydrophobicContact CG2-CG2 4.09Å; T65-T70 PolarHBondContact OG1-OG1 3.19Å; T70-T72 HydrophobicContact CG2-CG2 4.26Å
71I97Very high94.7Very high0 Ų067.9 Ų67.90%034%0.335CS..EExtended strand (participates in β ladder)trans-102.1127.3177.4-60.5151.1000109.4A55 K58 T63 V64 V66 I69 I80 V83A55-I71 HydrophobicContact CB-CD1 3.82Å; A55-I71 HydrophobicContact CB-CG1 4.42Å; A55-I71 HydrophobicContact CB-CG2 3.94Å; K58-I71 HydrophobicContact CG-CG2 4.31Å; T63-I71 WeakPolarHBondContact CA-O 3.47Å; V64-I71 HydrophobicContact CB-CB 4.38Å; V64-I71 PolarHBondContact N-O 3.49Å; V64-I71 WeakPolarHBondContact O-CA 3.01Å; V64-I71 WeakPolarHBondContact O-CB 3.43Å; V64-I71 PolarHBondContact O-N 3.07Å; V66-I71 HydrophobicContact CG2-CD1 4.25Å; I69-I71 HydrophobicContact CG2-CG1 4.37Å; I71-I80 HydrophobicContact CG1-CG1 4.46Å; I71-V83 HydrophobicContact CD1-CG1 4.27Å; I71-V83 HydrophobicContact CD1-CG2 4.23Å
72T97.3Very high94.3Very high39 Ų3968 Ų6824%0.23934%0.336CS..  trans-129.6173.4176.275.20000109.2T63 T70 K74 T75T63-T72 HydrophobicContact CG2-CG2 3.77Å; T70-T72 HydrophobicContact CG2-CG2 4.26Å; T72-K74 PolarHBondContact O-N 2.87Å; T72-K74 VanDerWaalsContact O-N 3.08Å; T72-K74 PolarHBondContact OG1-N 3.48Å; T72-T75 PolarHBondContact N-OG1 2.81Å; T72-T75 WeakPolarHBondContact O-CB 3.33Å; T72-T75 PolarHBondContact O-N 3.32Å; T72-T75 PolarHBondContact O-OG1 2.6Å; T72-T75 PolarHBondContact OG1-N 2.97Å; T72-T75 PolarHBondContact OG1-OG1 2.97Å
73H95.6Very high94.1Very high105 Ų10566.6 Ų66.649%0.48632%0.322SS..THydrogen-bonded Turntrans-54.7-28172.672-82.1000113.8P59P59-H73 WeakPolarHBondContact O-CA 3.49Å; P59-H73 WeakPolarHBondContact O-CB 3.44Å; P59-H73 PolarHBondContact O-N 3.23Å
74K96.1Very high93.9Very high159 Ų15968.8 Ų68.869%0.69133%0.326SS*.THydrogen-bonded Turntrans-90.1-8.3-179-58.6-174179.61760113.8T72 K76T72-K74 PolarHBondContact O-N 2.87Å; T72-K74 VanDerWaalsContact O-N 3.08Å; T72-K74 PolarHBondContact OG1-N 3.48Å; K74-K76 PolarHBondContact O-N 2.88Å
75T95.8Very high93.7Very high18 Ų1872.7 Ų72.711%0.1134%0.343CS..  trans-63.6131.2-176.5-59.70000110.1K58 T72 I80K58-T75 WeakPolarHBondContact CD-O 3.32Å; K58-T75 PolarHBondContact NZ-O 3.06Å; K58-T75 VanDerWaalsContact NZ-O 3.08Å; T72-T75 PolarHBondContact N-OG1 2.81Å; T72-T75 WeakPolarHBondContact O-CB 3.33Å; T72-T75 PolarHBondContact O-N 3.32Å; T72-T75 PolarHBondContact O-OG1 2.6Å; T72-T75 PolarHBondContact OG1-N 2.97Å; T72-T75 PolarHBondContact OG1-OG1 2.97Å; T75-I80 HydrophobicContact CG2-CD1 4.24Å; T75-I80 HydrophobicContact CG2-CG1 3.97Å
76K94.2Very high93.5Very high143 Ų14374.5 Ų74.562%0.62235%0.347SS*.  trans-83.6144.6178.9-61.1-174.5179.5-176.30110.4K74 K78 Y79K74-K76 PolarHBondContact O-N 2.88Å; K76-K78 HydrophobicContact CB-CG 4.46Å; K76-K78 PolarHBondContact O-N 3.39Å; K76-K78 VanDerWaalsContact O-N 3.08Å; K76-Y79 HydrophobicContact CB-CD2 4.03Å; K76-Y79 HydrophobicContact CB-CE2 4.3Å; K76-Y79 PolarHBondContact O-N 2.76Å
77D90Very high93.6Very high95 Ų9574.7 Ų74.751%0.50835%0.348SS..Hα-helixtrans-57.4-29.9-174.1-65.50.7000114.7Y79 I80 R81D77-Y79 PolarHBondContact O-N 2.82Å; D77-I80 WeakPolarHBondContact O-CB 3.4Å; D77-I80 PolarHBondContact O-N 3.33Å; D77-R81 PolarHBondContact O-N 3.39Å
78K91.2Very high93.7Very high142 Ų14271.7 Ų71.762%0.61733%0.333SS*.Hα-helixtrans-59-29.2176.472.2175.3-170.2167.90113.3K76K76-K78 HydrophobicContact CB-CG 4.46Å; K76-K78 PolarHBondContact O-N 3.39Å; K76-K78 VanDerWaalsContact O-N 3.08Å
79Y90.5Very high94Very high131 Ų13166 Ų6651%0.51430%0.302SS..Hα-helixtrans-86.4-15.5176.8-57.3-64.4000112.5K76 D77K76-Y79 HydrophobicContact CB-CD2 4.03Å; K76-Y79 HydrophobicContact CB-CE2 4.3Å; K76-Y79 PolarHBondContact O-N 2.76Å; D77-Y79 PolarHBondContact O-N 2.82Å
80I92.8Very high94Very high0 Ų064.6 Ų64.60%030%0.295CS..Hα-helixtrans-87.6-28.3178-65.1168.7000111.1A55 K58 I71 T75 D77 P82 V83 R84A55-I80 HydrophobicContact CB-CD1 4.01Å; A55-I80 HydrophobicContact CB-CG1 4.21Å; A55-I80 HydrophobicContact CB-CG2 3.68Å; K58-I80 HydrophobicContact CD-CD1 3.97Å; K58-I80 HydrophobicContact CG-CD1 4.11Å; I71-I80 HydrophobicContact CG1-CG1 4.46Å; T75-I80 HydrophobicContact CG2-CD1 4.24Å; T75-I80 HydrophobicContact CG2-CG1 3.97Å; D77-I80 WeakPolarHBondContact O-CB 3.4Å; D77-I80 PolarHBondContact O-N 3.33Å; I80-P82 VanDerWaalsContact C-CD 3.46Å; I80-P82 VanDerWaalsContact C-N 3.33Å; I80-V83 WeakPolarHBondContact O-CA 3.2Å; I80-V83 VanDerWaalsContact O-CB 3.28Å; I80-V83 WeakPolarHBondContact O-CB 3.24Å; I80-V83 PolarHBondContact O-N 2.8Å; I80-R84 HydrophobicContact CG2-CG 4.1Å; I80-R84 PolarHBondContact O-N 2.73Å; I80-R84 VanDerWaalsContact O-N 3.14Å
81R91.8Very high93.8Very high145 Ų14563.9 Ų63.955%0.54729%0.286SS..Hα-helixtrans-51.5-42.4-178.4-173.7176.7179.5169.71.8114D77 R84 K85 N113 F114D77-R81 PolarHBondContact O-N 3.39Å; R81-R84 PolarHBondContact O-N 2.75Å; R81-K85 PolarHBondContact O-N 3.4Å; R81-N113 PolarHBondContact NH2-O 3.02Å; R81-F114 HydrophobicContact CG-CE1 4.04Å
82P90.9Very high93.5Very high65 Ų6567.6 Ų67.642%0.42230%0.303SS..Hα-helixtrans-62.5-39.2174.6-22.835000113.1I69 I80 R84 K85 R86I69-P82 HydrophobicContact CD1-CB 4.12Å; I80-P82 VanDerWaalsContact C-CD 3.46Å; I80-P82 VanDerWaalsContact C-N 3.33Å; P82-R84 VanDerWaalsContact C-N 3.31Å; P82-R84 PolarHBondContact O-N 2.86Å; P82-K85 WeakPolarHBondContact O-CB 3.49Å; P82-K85 PolarHBondContact O-N 2.78Å; P82-K85 VanDerWaalsContact O-N 3.13Å; P82-R86 WeakPolarHBondContact O-CG 3.36Å; P82-R86 PolarHBondContact O-N 3.2Å
83V93.4Very high93.2Very high0 Ų070.6 Ų70.60%031%0.313CS..Hα-helixtrans-58.7-44.2176.6175.70000110.8V66 I69 I71 I80 K85 R86 I87V66-V83 HydrophobicContact CB-CG1 4.28Å; V66-V83 HydrophobicContact CB-CG2 4.22Å; V66-V83 HydrophobicContact CG1-CG1 4.23Å; V66-V83 HydrophobicContact CG1-CG2 4.45Å; V66-V83 HydrophobicContact CG2-CG1 3.87Å; I69-V83 HydrophobicContact CB-CG2 4.04Å; I69-V83 HydrophobicContact CD1-CG2 3.71Å; I69-V83 HydrophobicContact CG1-CG2 4.47Å; I69-V83 HydrophobicContact CG2-CG2 3.8Å; I71-V83 HydrophobicContact CD1-CG1 4.27Å; I71-V83 HydrophobicContact CD1-CG2 4.23Å; I80-V83 WeakPolarHBondContact O-CA 3.2Å; I80-V83 VanDerWaalsContact O-CB 3.28Å; I80-V83 WeakPolarHBondContact O-CB 3.24Å; I80-V83 PolarHBondContact O-N 2.8Å; V83-K85 PolarHBondContact O-N 3.18Å; V83-R86 PolarHBondContact O-N 2.98Å; V83-I87 HydrophobicContact CG1-CD1 3.57Å; V83-I87 HydrophobicContact CG1-CG1 4.37Å; V83-I87 PolarHBondContact O-N 3.05Å; V83-I87 VanDerWaalsContact O-N 3.08Å
84R93.2Very high93Very high85 Ų8565.7 Ų65.732%0.32129%0.291SS..Hα-helixtrans-65.1-22.2178.6-66.4178.5-176.9167.73.2114.2N54 A55 I80 R81 P82 F114N54-R84 WeakPolarHBondContact O-CG 3.46Å; A55-R84 PolarHBondContact O-NH2 3.04Å; I80-R84 HydrophobicContact CG2-CG 4.1Å; I80-R84 PolarHBondContact O-N 2.73Å; I80-R84 VanDerWaalsContact O-N 3.14Å; R81-R84 PolarHBondContact O-N 2.75Å; P82-R84 VanDerWaalsContact C-N 3.31Å; P82-R84 PolarHBondContact O-N 2.86Å; R84-F114 HydrophobicContact CB-CZ 4.37Å
85K92.1Very high92.9Very high81 Ų8160.2 Ų60.235%0.35227%0.267SS..Hα-helixtrans-73-37.6172.2-171.5-177.6173.9-177.20111.2R81 P82 V83 F114R81-K85 PolarHBondContact O-N 3.4Å; P82-K85 WeakPolarHBondContact O-CB 3.49Å; P82-K85 PolarHBondContact O-N 2.78Å; P82-K85 VanDerWaalsContact O-N 3.13Å; V83-K85 PolarHBondContact O-N 3.18Å; K85-F114 HydrophobicContact CB-CD1 3.74Å; K85-F114 HydrophobicContact CB-CD2 4.5Å; K85-F114 HydrophobicContact CB-CE1 3.61Å; K85-F114 HydrophobicContact CB-CE2 4.38Å; K85-F114 HydrophobicContact CB-CG 4.19Å; K85-F114 HydrophobicContact CB-CZ 3.94Å; K85-F114 HydrophobicContact CD-CB 4.1Å; K85-F114 HydrophobicContact CD-CD1 4.01Å; K85-F114 HydrophobicContact CD-CG 4.12Å; K85-F114 HydrophobicContact CG-CB 4.3Å; K85-F114 HydrophobicContact CG-CD1 3.88Å; K85-F114 HydrophobicContact CG-CD2 4.24Å; K85-F114 HydrophobicContact CG-CE1 4.23Å; K85-F114 HydrophobicContact CG-CG 3.88Å
86R93.6Very high92.7Very high58 Ų5864 Ų6422%0.21929%0.294CS..Hα-helixtrans-83.1-18.2-173.9-58.7178.668.9-171.71.2112.9M1 D67 P82 V83 P164 D165 I166M1-R86 HydrophobicContact CE-CB 3.59Å; M1-R86 VanDerWaalsContact CG-NH2 3.28Å; M1-R86 HydrophobicContact SD-CB 4.11Å; M1-R86 VanDerWaalsContact SD-CZ 3.58Å; M1-R86 PolarHBondContact SD-NH2 3.23Å; D67-R86 IonicContact OD2-CZ 3.48Å; D67-R86 IonicContact OD2-NH1 3.7Å; D67-R86 PolarHBondContact OD2-NH1 3.44Å; D67-R86 IonicContact OD2-NH2 3.53Å; D67-R86 PolarHBondContact OD2-NH2 3.5Å; P82-R86 WeakPolarHBondContact O-CG 3.36Å; P82-R86 PolarHBondContact O-N 3.2Å; V83-R86 PolarHBondContact O-N 2.98Å; R86-P164 WeakPolarHBondContact O-CB 3.35Å; R86-D165 IonicContact CZ-OD2 3.48Å; R86-D165 IonicContact NE-OD2 2.76Å; R86-D165 PolarHBondContact NE-OD2 3.24Å; R86-D165 IonicContact NH2-OD2 3.44Å; R86-D165 PolarHBondContact NH2-OD2 2.98Å; R86-D165 PolarHBondContact O-N 3.08Å; R86-I166 PolarHBondContact O-N 3.39Å; R86-I166 VanDerWaalsContact O-N 3.11Å
87I96Very high92.6Very high3 Ų360.9 Ų60.92%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-121.9105.7-176.7-52.9176.3000109M1 I3 I53 N54 V66 V83 I166 V168M1-I87 HydrophobicContact CE-CD1 4.34Å; M1-I87 HydrophobicContact CE-CG1 3.98Å; I3-I87 HydrophobicContact CD1-CD1 3.53Å; I3-I87 HydrophobicContact CD1-CG1 4.28Å; I3-I87 HydrophobicContact CG1-CD1 4.48Å; I53-I87 HydrophobicContact CG2-CD1 4.09Å; I53-I87 HydrophobicContact CG2-CG2 3.98Å; I53-I87 VanDerWaalsContact O-CD1 3.28Å; I53-I87 WeakPolarHBondContact O-CD1 3.21Å; N54-I87 HydrophobicContact CB-CB 4.1Å; N54-I87 HydrophobicContact CB-CG2 3.92Å; V66-I87 HydrophobicContact CG1-CD1 4.24Å; V66-I87 HydrophobicContact CG2-CD1 4.21Å; V83-I87 HydrophobicContact CG1-CD1 3.57Å; V83-I87 HydrophobicContact CG1-CG1 4.37Å; V83-I87 PolarHBondContact O-N 3.05Å; V83-I87 VanDerWaalsContact O-N 3.08Å; I87-I166 CarbonylContact C-O 3.54Å; I87-I166 WeakPolarHBondContact CA-O 3.4Å; I87-I166 HydrophobicContact CG1-CB 4.31Å; I87-I166 HydrophobicContact CG2-CB 4.5Å; I87-I166 HydrophobicContact CG2-CG2 4.35Å; I87-V168 HydrophobicContact CG2-CG2 3.98Å
88G95.7Very high92.9Very high1 Ų157 Ų571%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-83.1127.8172.900000110.2P164 I166 V168G88-P164 VanDerWaalsContact N-CB 3.32Å; G88-I166 PolarHBondContact N-O 2.95Å; G88-V168 PolarHBondContact O-N 3.41Å
89M95.6Very high93.2Very high14 Ų1455.2 Ų55.27%0.06925%0.254CS..EExtended strand (participates in β ladder)trans-113.5116.3175.5-73.7-163.474.500110.9I50 Q51 N54 F91 I159 V168I50-M89 HydrophobicContact CB-CE 3.99Å; I50-M89 HydrophobicContact CD1-CE 3.75Å; I50-M89 HydrophobicContact CG1-CE 3.93Å; I50-M89 WeakPolarHBondContact O-CE 3.45Å; Q51-M89 HydrophobicContact CG-CE 4.46Å; N54-M89 HydrophobicContact CB-CG 4.17Å; N54-M89 HydrophobicContact CB-SD 3.93Å; N54-M89 WeakPolarHBondContact ND2-CG 3.2Å; N54-M89 PolarHBondContact ND2-SD 3Å; N54-M89 PolarHBondContact OD1-SD 2.99Å; M89-F91 HydrophobicContact CB-CE2 4.16Å; M89-F91 HydrophobicContact CB-CZ 4.25Å; M89-F91 HydrophobicContact CE-CD1 4.49Å; M89-F91 HydrophobicContact CE-CE1 3.62Å; M89-F91 HydrophobicContact CE-CZ 3.73Å; M89-F91 HydrophobicContact SD-CE1 4.46Å; M89-F91 HydrophobicContact SD-CZ 3.98Å; M89-I159 WeakPolarHBondContact O-CD1 3.24Å; M89-V168 HydrophobicContact CE-CG1 4.35Å; M89-V168 HydrophobicContact CG-CB 4.15Å; M89-V168 HydrophobicContact CG-CG2 4.42Å
90V95.3Very high93.5Very high2 Ų251.1 Ų51.11%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-97.7107.7169-174.20000108P94 I156 I159 V168 V169 D170V90-P94 HydrophobicContact CG1-CB 3.73Å; V90-P94 HydrophobicContact CG1-CG 3.82Å; V90-I156 HydrophobicContact CG1-CG1 3.86Å; V90-I159 HydrophobicContact CB-CD1 4.07Å; V90-I159 HydrophobicContact CG1-CD1 4.31Å; V90-I159 HydrophobicContact CG2-CB 4.23Å; V90-I159 HydrophobicContact CG2-CD1 3.69Å; V90-I159 HydrophobicContact CG2-CG2 4.13Å; V90-V168 PolarHBondContact N-O 2.8Å; V90-V169 HydrophobicContact CB-CB 4.42Å; V90-V169 HydrophobicContact CB-CG1 3.94Å; V90-V169 HydrophobicContact CG2-CG1 3.86Å; V90-D170 PolarHBondContact O-N 3.32Å
91F92.8Very high93.7Very high56 Ų5654.8 Ų54.825%0.24626%0.259CS..  trans-77.5164.1174.6-66.7-76.4000111.5Q51 L56 M89 P94Q51-F91 HydrophobicContact CG-CE1 4.29Å; L56-F91 HydrophobicContact CD2-CE1 4.47Å; L56-F91 HydrophobicContact CD2-CZ 3.92Å; M89-F91 HydrophobicContact CB-CE2 4.16Å; M89-F91 HydrophobicContact CB-CZ 4.25Å; M89-F91 HydrophobicContact CE-CD1 4.49Å; M89-F91 HydrophobicContact CE-CE1 3.62Å; M89-F91 HydrophobicContact CE-CZ 3.73Å; M89-F91 HydrophobicContact SD-CE1 4.46Å; M89-F91 HydrophobicContact SD-CZ 3.98Å; F91-P94 VanDerWaalsContact O-CD 3.25Å; F91-P94 WeakPolarHBondContact O-CD 3.4Å
92Q90.3Very high94Very high78 Ų7849.5 Ų49.536%0.36424%0.243SC..SBendtrans-57.5140.3172.3-156.9-174.916.800110.4D170 E171Q92-D170 WeakPolarHBondContact CA-O 3.45Å; Q92-E171 HydrophobicContact CG-CB 4.35Å; Q92-E171 PolarHBondContact NE2-OE2 2.9Å
93F89.8Confident94.3Very high102 Ų10246.4 Ų46.445%0.44722%0.222SC..SBendtrans54.853.4-173.9-49.5-77.6000113.5E95 S96F93-E95 VanDerWaalsContact C-OE2 3.3Å; F93-E95 WeakPolarHBondContact CA-OE2 3.48Å; F93-E95 PolarHBondContact O-N 2.75Å; F93-E95 VanDerWaalsContact O-N 3.13Å; F93-S96 WeakPolarHBondContact O-CB 3.2Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 VanDerWaalsContact O-N 3.12Å; F93-S96 PolarHBondContact O-OG 3.12Å
94P92.5Very high94.5Very high2 Ų249.3 Ų49.31%0.01324%0.236CC..G310 helixtrans-64.4-21.2-173.531.3-37.9000112.6V90 F91 S96 Q97 R152 A155 I156V90-P94 HydrophobicContact CG1-CB 3.73Å; V90-P94 HydrophobicContact CG1-CG 3.82Å; F91-P94 VanDerWaalsContact O-CD 3.25Å; F91-P94 WeakPolarHBondContact O-CD 3.4Å; P94-S96 PolarHBondContact O-N 2.87Å; P94-S96 VanDerWaalsContact O-N 3.07Å; P94-Q97 WeakPolarHBondContact O-CB 3.26Å; P94-Q97 PolarHBondContact O-N 3.13Å; P94-R152 HydrophobicContact CG-CG 3.87Å; P94-A155 HydrophobicContact CB-CB 3.77Å; P94-A155 HydrophobicContact CG-CB 4.19Å; P94-A155 VanDerWaalsContact O-CB 3.25Å; P94-A155 WeakPolarHBondContact O-CB 3.44Å; P94-I156 HydrophobicContact CG-CG1 4.29Å
95E92.4Very high94.7Very high43 Ų4351.2 Ų51.220%0.20124%0.243CC..G310 helixtrans-54.7-24.6173.559.7-87.6-16000114F93 Q97 L98 M151 R152F93-E95 VanDerWaalsContact C-OE2 3.3Å; F93-E95 WeakPolarHBondContact CA-OE2 3.48Å; F93-E95 PolarHBondContact O-N 2.75Å; F93-E95 VanDerWaalsContact O-N 3.13Å; E95-Q97 PolarHBondContact O-N 3.12Å; E95-L98 HydrophobicContact CB-CD1 4.48Å; E95-L98 WeakPolarHBondContact O-CG 3.2Å; E95-L98 PolarHBondContact O-N 3.38Å; E95-M151 HydrophobicContact CB-CB 3.81Å; E95-R152 IonicContact OE1-CZ 2.87Å; E95-R152 IonicContact OE1-NE 3.31Å; E95-R152 PolarHBondContact OE1-NE 2.94Å; E95-R152 IonicContact OE1-NH2 3.11Å; E95-R152 PolarHBondContact OE1-NH2 3.44Å; E95-R152 WeakPolarHBondContact OE2-CB 3.29Å; E95-R152 IonicContact OE2-CZ 2.8Å; E95-R152 IonicContact OE2-NE 2.88Å; E95-R152 PolarHBondContact OE2-NE 3.41Å; E95-R152 IonicContact OE2-NH2 2.81Å; E95-R152 PolarHBondContact OE2-NH2 3.22Å
96S91.9Very high95Very high97 Ų9747.7 Ų47.768%0.67823%0.228SC*.G310 helixtrans-67.7-14.1175.862.20000113.8F93 P94F93-S96 WeakPolarHBondContact O-CB 3.2Å; F93-S96 PolarHBondContact O-N 2.84Å; F93-S96 VanDerWaalsContact O-N 3.12Å; F93-S96 PolarHBondContact O-OG 3.12Å; P94-S96 PolarHBondContact O-N 2.87Å; P94-S96 VanDerWaalsContact O-N 3.07Å
97Q92.4Very high95.2Very high79 Ų7944.9 Ų44.937%0.36922%0.218SC..G310 helixtrans-90.4-7.4-179.1-58.3-178-4.800113.1P94 E95 F99P94-Q97 WeakPolarHBondContact O-CB 3.26Å; P94-Q97 PolarHBondContact O-N 3.13Å; E95-Q97 PolarHBondContact O-N 3.12Å; Q97-F99 VanDerWaalsContact O-CD1 3.29Å; Q97-F99 WeakPolarHBondContact O-CD1 3.42Å
98L95.9Very high95.3Very high12 Ų1246.2 Ų46.26%0.06322%0.224CC..  trans-70.8129.4179.8-58.2172.5000109.8E95 E106 P143 M151 I154 A155E95-L98 HydrophobicContact CB-CD1 4.48Å; E95-L98 WeakPolarHBondContact O-CG 3.2Å; E95-L98 PolarHBondContact O-N 3.38Å; L98-E106 HydrophobicContact CD2-CG 3.63Å; L98-P143 HydrophobicContact CB-CB 4.48Å; L98-P143 HydrophobicContact CD1-CB 4.04Å; L98-M151 HydrophobicContact CD1-CB 3.7Å; L98-M151 HydrophobicContact CD1-CG 4.08Å; L98-I154 HydrophobicContact CD2-CG2 3.88Å; L98-A155 HydrophobicContact CD2-CB 3.89Å; L98-A155 HydrophobicContact CG-CB 4.19Å
99F97.2Very high95.3Very high105 Ų10549.9 Ų49.946%0.46124%0.24SC..  trans-143-15.4-178.968.1-86.9000114.1Q97 E106 F109Q97-F99 VanDerWaalsContact O-CD1 3.29Å; Q97-F99 WeakPolarHBondContact O-CD1 3.42Å; F99-E106 PolarHBondContact N-OE2 2.95Å; F99-F109 AromaticContact CE1-CD1 3.95Å; F99-F109 HydrophobicContact CE1-CD1 3.95Å; F99-F109 AromaticContact CE1-CE1 3.93Å; F99-F109 HydrophobicContact CE1-CE1 3.93Å; F99-F109 HydrophobicContact CE1-CE2 4.49Å; F99-F109 HydrophobicContact CE1-CG 4.25Å; F99-F109 HydrophobicContact CE1-CZ 4.2Å; F99-F109 HydrophobicContact CE2-CD2 4.13Å; F99-F109 HydrophobicContact CE2-CE2 4.03Å; F99-F109 HydrophobicContact CE2-CZ 4.39Å; F99-F109 HydrophobicContact CZ-CB 4.4Å; F99-F109 AromaticContact CZ-CD1 3.67Å; F99-F109 HydrophobicContact CZ-CD1 3.67Å; F99-F109 AromaticContact CZ-CD2 3.48Å; F99-F109 HydrophobicContact CZ-CD2 3.48Å; F99-F109 VanDerWaalsContact CZ-CD2 3.48Å; F99-F109 AromaticContact CZ-CE1 3.65Å; F99-F109 HydrophobicContact CZ-CE1 3.65Å; F99-F109 AromaticContact CZ-CE2 3.46Å; F99-F109 HydrophobicContact CZ-CE2 3.46Å; F99-F109 VanDerWaalsContact CZ-CE2 3.46Å; F99-F109 AromaticContact CZ-CG 3.58Å; F99-F109 HydrophobicContact CZ-CG 3.58Å; F99-F109 AromaticContact CZ-CZ 3.53Å; F99-F109 HydrophobicContact CZ-CZ 3.53Å
100E97.7Very high95.4Very high45 Ų4549.8 Ų49.821%0.2124%0.243CC..SBendtrans-76.7154.2178.8-71-73.5177.600112T102 R105 E106 P143 F144E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 3.33Å; E100-R105 HydrophobicContact CB-CB 3.82Å; E100-R105 HydrophobicContact CG-CB 3.93Å; E100-E106 HydrophobicContact CB-CB 4.08Å; E100-E106 WeakPolarHBondContact CB-OE2 3.22Å; E100-E106 PolarHBondContact N-OE2 2.91Å; E100-P143 VanDerWaalsContact O-CG 3.3Å; E100-P143 WeakPolarHBondContact O-CG 3.27Å; E100-F144 WeakPolarHBondContact O-CE2 3.29Å
101D96.4Very high95.4Very high78 Ų7849.7 Ų49.742%0.41724%0.242SC..SBendtrans-72.5-23.3-178.361.5-18.2000113.3R105 S142D101-R105 WeakPolarHBondContact OD1-CD 3.29Å; D101-R105 IonicContact OD1-CZ 3.86Å; D101-R105 IonicContact OD1-NE 3.35Å; D101-R105 IonicContact OD1-NH1 3.49Å; D101-R105 PolarHBondContact OD1-NH1 3.49Å; D101-R105 IonicContact OD2-CZ 3.18Å; D101-R105 IonicContact OD2-NH1 2.7Å; D101-R105 PolarHBondContact OD2-NH1 2.86Å; D101-S142 VanDerWaalsContact O-CA 3.3Å; D101-S142 WeakPolarHBondContact O-CA 3.16Å; D101-S142 VanDerWaalsContact O-CB 3.3Å; D101-S142 WeakPolarHBondContact O-CB 3.23Å; D101-S142 PolarHBondContact O-OG 3.34Å; D101-S142 VanDerWaalsContact O-OG 3.1Å
102T98Very high95.6Very high33 Ų3353.6 Ų53.620%0.20226%0.259CS..SBendtrans-132149179.257.70000111.6E100 E104 R105 E106 Q141E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 3.33Å; T102-E104 PolarHBondContact O-N 3.18Å; T102-R105 PolarHBondContact O-N 3.42Å; T102-R105 WeakPolarHBondContact OG1-CB 3.35Å; T102-R105 WeakPolarHBondContact OG1-CD 3.43Å; T102-R105 WeakPolarHBondContact OG1-CG 3.24Å; T102-R105 PolarHBondContact OG1-N 3.17Å; T102-E106 PolarHBondContact O-N 3.47Å; T102-E106 VanDerWaalsContact O-N 3.08Å; T102-Q141 WeakPolarHBondContact CA-O 3.45Å
103V98Very high95.8Very high0 Ų053.3 Ų53.30%026%0.26CS..Hα-helixtrans-58-39.1175.4173.20000110.8R105 E106 M107 L129 V138 M139 Q141 P143 I154V103-R105 PolarHBondContact O-N 3.16Å; V103-E106 WeakPolarHBondContact O-CB 3.36Å; V103-E106 PolarHBondContact O-N 3.48Å; V103-M107 HydrophobicContact CG1-CE 4.2Å; V103-M107 HydrophobicContact CG1-CG 4.25Å; V103-M107 VanDerWaalsContact O-CG 3.27Å; V103-M107 WeakPolarHBondContact O-CG 3.47Å; V103-M107 PolarHBondContact O-N 3.43Å; V103-L129 HydrophobicContact CG1-CD1 3.75Å; V103-V138 WeakPolarHBondContact CB-O 3.21Å; V103-V138 HydrophobicContact CG1-CG2 4.4Å; V103-V138 HydrophobicContact CG2-CG2 4.35Å; V103-M139 HydrophobicContact CG1-SD 4.18Å; V103-Q141 PolarHBondContact N-O 2.95Å; V103-P143 HydrophobicContact CG2-CB 4.37Å; V103-I154 HydrophobicContact CG1-CG2 4.21Å; V103-I154 HydrophobicContact CG2-CD1 3.85Å; V103-I154 HydrophobicContact CG2-CG1 4.49Å; V103-I154 HydrophobicContact CG2-CG2 4.37Å
104E98Very high96Very high62 Ų6250.8 Ų50.829%0.2925%0.249SC..Hα-helixtrans-56.5-49176.1178.4170.316000112.8T102 E106 M107 I108 K122 M139T102-E104 PolarHBondContact O-N 3.18Å; E104-E106 VanDerWaalsContact C-N 3.3Å; E104-E106 PolarHBondContact O-N 3.15Å; E104-M107 PolarHBondContact O-N 2.83Å; E104-I108 WeakPolarHBondContact O-CG1 3.26Å; E104-I108 PolarHBondContact O-N 3.27Å; E104-I108 VanDerWaalsContact O-N 3.11Å; E104-K122 HydrophobicContact CG-CD 4.22Å; E104-K122 WeakPolarHBondContact OE1-CE 3.46Å; E104-K122 IonicContact OE1-NZ 3.77Å; E104-K122 PolarHBondContact OE1-NZ 2.84Å; E104-K122 WeakPolarHBondContact OE2-CE 3.26Å; E104-K122 IonicContact OE2-NZ 2.62Å; E104-K122 PolarHBondContact OE2-NZ 2.91Å; E104-M139 HydrophobicContact CB-CB 4.2Å; E104-M139 HydrophobicContact CB-CE 4.05Å; E104-M139 VanDerWaalsContact CB-O 3.25Å; E104-M139 WeakPolarHBondContact CB-O 3.37Å; E104-M139 HydrophobicContact CG-CE 4.15Å; E104-M139 PolarHBondContact N-O 3.37Å
105R97.8Very high96.1Very high124 Ų12459.9 Ų59.947%0.46829%0.288SS..Hα-helixtrans-65.1-38.3180-78.2173178.1-179.910.9111.7E100 D101 T102 V103 M107 I108 F109E100-R105 HydrophobicContact CB-CB 3.82Å; E100-R105 HydrophobicContact CG-CB 3.93Å; D101-R105 WeakPolarHBondContact OD1-CD 3.29Å; D101-R105 IonicContact OD1-CZ 3.86Å; D101-R105 IonicContact OD1-NE 3.35Å; D101-R105 IonicContact OD1-NH1 3.49Å; D101-R105 PolarHBondContact OD1-NH1 3.49Å; D101-R105 IonicContact OD2-CZ 3.18Å; D101-R105 IonicContact OD2-NH1 2.7Å; D101-R105 PolarHBondContact OD2-NH1 2.86Å; T102-R105 PolarHBondContact O-N 3.42Å; T102-R105 WeakPolarHBondContact OG1-CB 3.35Å; T102-R105 WeakPolarHBondContact OG1-CD 3.43Å; T102-R105 WeakPolarHBondContact OG1-CG 3.24Å; T102-R105 PolarHBondContact OG1-N 3.17Å; V103-R105 PolarHBondContact O-N 3.16Å; R105-M107 VanDerWaalsContact C-N 3.35Å; R105-M107 PolarHBondContact O-N 3.25Å; R105-I108 WeakPolarHBondContact O-CG1 3.47Å; R105-I108 PolarHBondContact O-N 3.36Å; R105-F109 PolarHBondContact O-N 2.98Å
106E98Very high96.3Very high7 Ų759.9 Ų59.93%0.03329%0.289CS..Hα-helixtrans-59.2-45.6172.9-167.367.6-139.900111.1L98 F99 E100 T102 V103 E104 I108 F109L98-E106 HydrophobicContact CD2-CG 3.63Å; F99-E106 PolarHBondContact N-OE2 2.95Å; E100-E106 HydrophobicContact CB-CB 4.08Å; E100-E106 WeakPolarHBondContact CB-OE2 3.22Å; E100-E106 PolarHBondContact N-OE2 2.91Å; T102-E106 PolarHBondContact O-N 3.47Å; T102-E106 VanDerWaalsContact O-N 3.08Å; V103-E106 WeakPolarHBondContact O-CB 3.36Å; V103-E106 PolarHBondContact O-N 3.48Å; E104-E106 VanDerWaalsContact C-N 3.3Å; E104-E106 PolarHBondContact O-N 3.15Å; E106-I108 VanDerWaalsContact C-N 3.35Å; E106-I108 PolarHBondContact O-N 2.97Å; E106-F109 PolarHBondContact O-N 3.28Å
107M97.5Very high96.5Very high0 Ų059.5 Ų59.50%028%0.279CS..Hα-helixtrans-63.9-37.5-179.6-65.7-49.192.200112.7V103 E104 R105 P111 A125 L129 M139 I154 V157 S158 A161V103-M107 HydrophobicContact CG1-CE 4.2Å; V103-M107 HydrophobicContact CG1-CG 4.25Å; V103-M107 VanDerWaalsContact O-CG 3.27Å; V103-M107 WeakPolarHBondContact O-CG 3.47Å; V103-M107 PolarHBondContact O-N 3.43Å; E104-M107 PolarHBondContact O-N 2.83Å; R105-M107 VanDerWaalsContact C-N 3.35Å; R105-M107 PolarHBondContact O-N 3.25Å; M107-P111 VanDerWaalsContact O-CD 3.32Å; M107-P111 WeakPolarHBondContact O-CD 3.25Å; M107-P111 WeakPolarHBondContact O-CG 3.44Å; M107-A125 HydrophobicContact CB-CB 3.72Å; M107-A125 HydrophobicContact CG-CB 3.59Å; M107-A125 HydrophobicContact SD-CB 3.8Å; M107-L129 HydrophobicContact CG-CD1 4.43Å; M107-L129 HydrophobicContact SD-CD1 4.27Å; M107-M139 HydrophobicContact CB-CE 4.38Å; M107-M139 HydrophobicContact CG-CE 4.1Å; M107-M139 HydrophobicContact CG-SD 4.21Å; M107-I154 HydrophobicContact CE-CG2 3.65Å; M107-I154 WeakPolarHBondContact CE-O 3.18Å; M107-V157 HydrophobicContact SD-CB 4.03Å; M107-V157 HydrophobicContact SD-CG1 3.63Å; M107-S158 VanDerWaalsContact CE-CB 3.48Å; M107-A161 VanDerWaalsContact O-CB 3.24Å; M107-A161 WeakPolarHBondContact O-CB 3.41Å
108I97.3Very high96.8Very high31 Ų3158.9 Ų58.916%0.15928%0.278CS..Hα-helixtrans-89.7-5.3-177.168.4177.2000113.6E104 R105 E106 K112 L118 K122E104-I108 WeakPolarHBondContact O-CG1 3.26Å; E104-I108 PolarHBondContact O-N 3.27Å; E104-I108 VanDerWaalsContact O-N 3.11Å; R105-I108 WeakPolarHBondContact O-CG1 3.47Å; R105-I108 PolarHBondContact O-N 3.36Å; E106-I108 VanDerWaalsContact C-N 3.35Å; E106-I108 PolarHBondContact O-N 2.97Å; I108-K112 WeakPolarHBondContact O-CB 3.44Å; I108-K112 PolarHBondContact O-N 3.41Å; I108-L118 HydrophobicContact CB-CD2 4.46Å; I108-K122 HydrophobicContact CG2-CB 4.1Å
109F97.5Very high96.8Very high77 Ų7763.7 Ų63.734%0.33830%0.304SS..Hα-helixtrans-60.3-54.6-177.2177.3-105.4000112.8F99 R105 E106 K112 N113F99-F109 AromaticContact CE1-CD1 3.95Å; F99-F109 HydrophobicContact CE1-CD1 3.95Å; F99-F109 AromaticContact CE1-CE1 3.93Å; F99-F109 HydrophobicContact CE1-CE1 3.93Å; F99-F109 HydrophobicContact CE1-CE2 4.49Å; F99-F109 HydrophobicContact CE1-CG 4.25Å; F99-F109 HydrophobicContact CE1-CZ 4.2Å; F99-F109 HydrophobicContact CE2-CD2 4.13Å; F99-F109 HydrophobicContact CE2-CE2 4.03Å; F99-F109 HydrophobicContact CE2-CZ 4.39Å; F99-F109 HydrophobicContact CZ-CB 4.4Å; F99-F109 AromaticContact CZ-CD1 3.67Å; F99-F109 HydrophobicContact CZ-CD1 3.67Å; F99-F109 AromaticContact CZ-CD2 3.48Å; F99-F109 HydrophobicContact CZ-CD2 3.48Å; F99-F109 VanDerWaalsContact CZ-CD2 3.48Å; F99-F109 AromaticContact CZ-CE1 3.65Å; F99-F109 HydrophobicContact CZ-CE1 3.65Å; F99-F109 AromaticContact CZ-CE2 3.46Å; F99-F109 HydrophobicContact CZ-CE2 3.46Å; F99-F109 VanDerWaalsContact CZ-CE2 3.46Å; F99-F109 AromaticContact CZ-CG 3.58Å; F99-F109 HydrophobicContact CZ-CG 3.58Å; F99-F109 AromaticContact CZ-CZ 3.53Å; F99-F109 HydrophobicContact CZ-CZ 3.53Å; R105-F109 PolarHBondContact O-N 2.98Å; E106-F109 PolarHBondContact O-N 3.28Å; F109-K112 PolarHBondContact O-N 2.8Å; F109-N113 VanDerWaalsContact CE1-ND2 3.31Å; F109-N113 WeakPolarHBondContact CE1-ND2 3.36Å; F109-N113 VanDerWaalsContact CZ-ND2 3.32Å; F109-N113 WeakPolarHBondContact CZ-ND2 3.45Å; F109-N113 PolarHBondContact O-N 2.86Å; F109-N113 PolarHBondContact O-ND2 2.87Å
110G95.9Very high96.8Very high12 Ų1264.6 Ų64.612%0.12431%0.309CS..Hα-helixtrans-57.5-54.3174.800000112.6K112 N113 F114G110-K112 VanDerWaalsContact C-N 3.29Å; G110-K112 PolarHBondContact O-N 3.05Å; G110-N113 WeakPolarHBondContact O-CB 3.3Å; G110-N113 PolarHBondContact O-N 3.49Å; G110-F114 WeakPolarHBondContact O-CD2 3.29Å; G110-F114 PolarHBondContact O-N 3.47Å
111P96.9Very high96.8Very high0 Ų062.7 Ų62.70%030%0.301CS..Hα-helixtrans-51.2-42.7175.3-31.236.2000114.4M107 N113 F114 K115 M116 L118 A121 A161 M162M107-P111 VanDerWaalsContact O-CD 3.32Å; M107-P111 WeakPolarHBondContact O-CD 3.25Å; M107-P111 WeakPolarHBondContact O-CG 3.44Å; P111-N113 PolarHBondContact O-N 2.87Å; P111-F114 CarbonylContact O-C 3.46Å; P111-F114 PolarHBondContact O-N 3.24Å; P111-K115 PolarHBondContact O-N 3.44Å; P111-K115 VanDerWaalsContact O-N 3.09Å; P111-M116 HydrophobicContact CB-CB 4.04Å; P111-M116 HydrophobicContact CB-SD 4.23Å; P111-M116 WeakPolarHBondContact O-CB 3.39Å; P111-M116 PolarHBondContact O-N 2.94Å; P111-L118 HydrophobicContact CB-CD2 4.23Å; P111-A121 HydrophobicContact CB-CB 3.65Å; P111-A121 HydrophobicContact CG-CB 3.55Å; P111-A161 HydrophobicContact CG-CB 4.26Å; P111-M162 HydrophobicContact CG-CG 4.4Å
112K96.8Very high96.9Very high139 Ų13961.7 Ų61.760%0.60429%0.293SS*.Hα-helixtrans-61.7-41.9176.6-177177.9177.6-176.40112I108 F109 G110 F114 K115 L118I108-K112 WeakPolarHBondContact O-CB 3.44Å; I108-K112 PolarHBondContact O-N 3.41Å; F109-K112 PolarHBondContact O-N 2.8Å; G110-K112 VanDerWaalsContact C-N 3.29Å; G110-K112 PolarHBondContact O-N 3.05Å; K112-F114 PolarHBondContact O-N 2.96Å; K112-K115 PolarHBondContact O-N 2.94Å; K112-L118 HydrophobicContact CB-CD2 4.04Å
113N95Very high96.8Very high72 Ų7265.3 Ų65.339%0.38531%0.311SS..Hα-helixtrans-65.5-23.4177.8-69.4-30.7000113.5R81 F109 G110 P111R81-N113 PolarHBondContact NH2-O 3.02Å; F109-N113 VanDerWaalsContact CE1-ND2 3.31Å; F109-N113 WeakPolarHBondContact CE1-ND2 3.36Å; F109-N113 VanDerWaalsContact CZ-ND2 3.32Å; F109-N113 WeakPolarHBondContact CZ-ND2 3.45Å; F109-N113 PolarHBondContact O-N 2.86Å; F109-N113 PolarHBondContact O-ND2 2.87Å; G110-N113 WeakPolarHBondContact O-CB 3.3Å; G110-N113 PolarHBondContact O-N 3.49Å; P111-N113 PolarHBondContact O-N 2.87Å
114F93.4Very high96.8Very high48 Ų4866.8 Ų66.821%0.21132%0.317CS..THydrogen-bonded Turntrans-100.98.6174.2-71.7-70.5000114.2R81 R84 K85 G110 P111 K112 M116 M162R81-F114 HydrophobicContact CG-CE1 4.04Å; R84-F114 HydrophobicContact CB-CZ 4.37Å; K85-F114 HydrophobicContact CB-CD1 3.74Å; K85-F114 HydrophobicContact CB-CD2 4.5Å; K85-F114 HydrophobicContact CB-CE1 3.61Å; K85-F114 HydrophobicContact CB-CE2 4.38Å; K85-F114 HydrophobicContact CB-CG 4.19Å; K85-F114 HydrophobicContact CB-CZ 3.94Å; K85-F114 HydrophobicContact CD-CB 4.1Å; K85-F114 HydrophobicContact CD-CD1 4.01Å; K85-F114 HydrophobicContact CD-CG 4.12Å; K85-F114 HydrophobicContact CG-CB 4.3Å; K85-F114 HydrophobicContact CG-CD1 3.88Å; K85-F114 HydrophobicContact CG-CD2 4.24Å; K85-F114 HydrophobicContact CG-CE1 4.23Å; K85-F114 HydrophobicContact CG-CG 3.88Å; G110-F114 WeakPolarHBondContact O-CD2 3.29Å; G110-F114 PolarHBondContact O-N 3.47Å; P111-F114 CarbonylContact O-C 3.46Å; P111-F114 PolarHBondContact O-N 3.24Å; K112-F114 PolarHBondContact O-N 2.96Å; F114-M116 HydrophobicContact CB-CG 4.03Å; F114-M116 HydrophobicContact CB-SD 4.19Å; F114-M116 PolarHBondContact O-N 3.03Å; F114-M162 HydrophobicContact CD2-SD 3.88Å; F114-M162 HydrophobicContact CE2-SD 3.68Å
115K95.1Very high96.8Very high193 Ų19363.8 Ų63.884%0.83930%0.303SS*.THydrogen-bonded Turntrans53.840.6-179.8-54.6-177.6179.4-175.60112.7P111 K112P111-K115 PolarHBondContact O-N 3.44Å; P111-K115 VanDerWaalsContact O-N 3.09Å; K112-K115 PolarHBondContact O-N 2.94Å
116M95.8Very high96.8Very high44 Ų4460.3 Ų60.322%0.21729%0.292CS..  trans-80.3168.8177.3-65.7175.760.500111.6P111 F114 L118 M162P111-M116 HydrophobicContact CB-CB 4.04Å; P111-M116 HydrophobicContact CB-SD 4.23Å; P111-M116 WeakPolarHBondContact O-CB 3.39Å; P111-M116 PolarHBondContact O-N 2.94Å; F114-M116 HydrophobicContact CB-CG 4.03Å; F114-M116 HydrophobicContact CB-SD 4.19Å; F114-M116 PolarHBondContact O-N 3.03Å; M116-L118 PolarHBondContact O-N 2.92Å; M116-M162 WeakPolarHBondContact CE-O 3.37Å
117N96.9Very high96.8Very high89 Ų8964.5 Ų64.548%0.47631%0.308SS..  trans-67.7113.5168.2-176.4-17.4000109.3D119 E120 A121N117-D119 PolarHBondContact OD1-N 2.81Å; N117-D119 VanDerWaalsContact OD1-N 3.12Å; N117-E120 HydrophobicContact CB-CB 3.94Å; N117-E120 PolarHBondContact OD1-N 2.85Å; N117-A121 WeakPolarHBondContact O-CB 3.43Å; N117-A121 PolarHBondContact O-N 2.82Å; N117-A121 VanDerWaalsContact O-N 3.09Å
118L97.3Very high96.8Very high65 Ų6564.5 Ų64.534%0.3431%0.308SS..Hα-helixtrans-72.3-34-174-56.6-175.1000112.3I108 P111 K112 M116 A121 K122I108-L118 HydrophobicContact CB-CD2 4.46Å; P111-L118 HydrophobicContact CB-CD2 4.23Å; K112-L118 HydrophobicContact CB-CD2 4.04Å; M116-L118 PolarHBondContact O-N 2.92Å; L118-A121 PolarHBondContact O-N 2.8Å; L118-K122 WeakPolarHBondContact O-CB 3.3Å; L118-K122 PolarHBondContact O-N 2.62Å
119D97.5Very high96.9Very high114 Ų11463 Ų6361%0.6130%0.3SS*.Hα-helixtrans-68.5-41.5178.4-67.1-39.5000110.9N117 K122 N123N117-D119 PolarHBondContact OD1-N 2.81Å; N117-D119 VanDerWaalsContact OD1-N 3.12Å; D119-K122 PolarHBondContact O-N 3.34Å; D119-N123 WeakPolarHBondContact O-CB 3.48Å; D119-N123 PolarHBondContact O-N 2.87Å; D119-N123 PolarHBondContact O-ND2 3.02Å; D119-N123 VanDerWaalsContact O-ND2 3.09Å
120E97.3Very high96.8Very high123 Ų12362.9 Ų62.958%0.57530%0.301SS*.Hα-helixtrans-63-47.8175.1-172.3-178.3172.200111.4N117 K122 N123 Y124N117-E120 HydrophobicContact CB-CB 3.94Å; N117-E120 PolarHBondContact OD1-N 2.85Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 2.94Å; E120-N123 PolarHBondContact O-N 3.47Å; E120-Y124 WeakPolarHBondContact O-CB 3.47Å; E120-Y124 PolarHBondContact O-N 3.03Å
121A97.2Very high96.8Very high5 Ų566.6 Ų66.64%0.04132%0.318CS..Hα-helixtrans-63.1-40.8178.600000112.1P111 N117 L118 Y124 A125P111-A121 HydrophobicContact CB-CB 3.65Å; P111-A121 HydrophobicContact CG-CB 3.55Å; N117-A121 WeakPolarHBondContact O-CB 3.43Å; N117-A121 PolarHBondContact O-N 2.82Å; N117-A121 VanDerWaalsContact O-N 3.09Å; L118-A121 PolarHBondContact O-N 2.8Å; A121-Y124 PolarHBondContact O-N 3.35Å; A121-A125 VanDerWaalsContact O-CB 3.31Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.22Å
122K97.1Very high96.8Very high58 Ų5866.7 Ų66.725%0.25232%0.319SS..Hα-helixtrans-60.5-48.6175.2179.4-177.9175.1168.50111.5E104 I108 L118 D119 E120 A125 H126 M139E104-K122 HydrophobicContact CG-CD 4.22Å; E104-K122 WeakPolarHBondContact OE1-CE 3.46Å; E104-K122 IonicContact OE1-NZ 3.77Å; E104-K122 PolarHBondContact OE1-NZ 2.84Å; E104-K122 WeakPolarHBondContact OE2-CE 3.26Å; E104-K122 IonicContact OE2-NZ 2.62Å; E104-K122 PolarHBondContact OE2-NZ 2.91Å; I108-K122 HydrophobicContact CG2-CB 4.1Å; L118-K122 WeakPolarHBondContact O-CB 3.3Å; L118-K122 PolarHBondContact O-N 2.62Å; D119-K122 PolarHBondContact O-N 3.34Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 2.94Å; K122-A125 PolarHBondContact O-N 2.83Å; K122-H126 WeakPolarHBondContact O-CB 3.43Å; K122-H126 PolarHBondContact O-N 3.01Å; K122-M139 HydrophobicContact CG-CE 3.6Å
123N97.5Very high96.7Very high108 Ų10863 Ų6358%0.57832%0.32SS*.Hα-helixtrans-65-41.1179.9-71.1-28.5000111.7D119 E120 H126 R127D119-N123 WeakPolarHBondContact O-CB 3.48Å; D119-N123 PolarHBondContact O-N 2.87Å; D119-N123 PolarHBondContact O-ND2 3.02Å; D119-N123 VanDerWaalsContact O-ND2 3.09Å; E120-N123 PolarHBondContact O-N 3.47Å; N123-H126 PolarHBondContact O-N 2.91Å; N123-R127 PolarHBondContact O-N 2.92Å
124Y97.7Very high96.8Very high31 Ų3160.1 Ų60.112%0.12230%0.304CS..Hα-helixtrans-62.1-49.4175.8-179.4-98.5000111.3E120 A121 H126 R127 L128 L160 L191 E195E120-Y124 WeakPolarHBondContact O-CB 3.47Å; E120-Y124 PolarHBondContact O-N 3.03Å; A121-Y124 PolarHBondContact O-N 3.35Å; Y124-H126 VanDerWaalsContact C-N 3.35Å; Y124-H126 PolarHBondContact O-N 3.18Å; Y124-R127 WeakPolarHBondContact O-CB 3.42Å; Y124-R127 PolarHBondContact O-N 2.96Å; Y124-L128 HydrophobicContact CD1-CD1 3.98Å; Y124-L128 HydrophobicContact CD1-CG 4.49Å; Y124-L128 HydrophobicContact CE1-CD1 3.41Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.41Å; Y124-L128 HydrophobicContact CE1-CG 4.15Å; Y124-L128 WeakPolarHBondContact O-CG 3.41Å; Y124-L128 PolarHBondContact O-N 3.23Å; Y124-L128 VanDerWaalsContact O-N 3.15Å; Y124-L160 VanDerWaalsContact CE1-O 3.22Å; Y124-L160 WeakPolarHBondContact CE1-O 3.42Å; Y124-L191 WeakPolarHBondContact OH-CD2 3.41Å; Y124-E195 WeakPolarHBondContact CE2-OE2 3.44Å; Y124-E195 PolarHBondContact OH-OE2 3.42Å
125A98Very high96.9Very high0 Ų060.5 Ų60.50%031%0.313CS..Hα-helixtrans-61.5-41.4177.500000112.6M107 A121 K122 R127 L128 L129 V157 A161M107-A125 HydrophobicContact CB-CB 3.72Å; M107-A125 HydrophobicContact CG-CB 3.59Å; M107-A125 HydrophobicContact SD-CB 3.8Å; A121-A125 VanDerWaalsContact O-CB 3.31Å; A121-A125 WeakPolarHBondContact O-CB 3.46Å; A121-A125 PolarHBondContact O-N 3.22Å; K122-A125 PolarHBondContact O-N 2.83Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 2.96Å; A125-L128 PolarHBondContact O-N 3.11Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 2.9Å; A125-V157 HydrophobicContact CB-CG1 4Å; A125-A161 HydrophobicContact CB-CB 3.87Å
126H98Very high96.8Very high51 Ų5161 Ų6124%0.23631%0.309CS..Hα-helixtrans-60.9-41.5177.2-174.9-128.2000112.3K122 N123 Y124 L129 M130 R136 M139K122-H126 WeakPolarHBondContact O-CB 3.43Å; K122-H126 PolarHBondContact O-N 3.01Å; N123-H126 PolarHBondContact O-N 2.91Å; Y124-H126 VanDerWaalsContact C-N 3.35Å; Y124-H126 PolarHBondContact O-N 3.18Å; H126-L129 PolarHBondContact O-N 2.84Å; H126-M130 VanDerWaalsContact O-CG 3.28Å; H126-M130 WeakPolarHBondContact O-CG 3.28Å; H126-M130 PolarHBondContact O-N 3.23Å; H126-R136 PolarHBondContact NE2-O 3.03Å; H126-M139 HydrophobicContact CB-CE 4.47Å; H126-M139 HydrophobicContact CB-CG 4.4Å; H126-M139 HydrophobicContact CB-SD 4.3Å; H126-M139 VanDerWaalsContact CD2-CG 3.46Å; H126-M139 WeakPolarHBondContact CD2-CG 3.44Å
127R97.5Very high96.7Very high94 Ų9462.9 Ų62.936%0.35532%0.32SS..Hα-helixtrans-58.7-49.1173179.5-175.96393.4-8.4111.6N123 Y124 A125 L129 M130 D131 E195N123-R127 PolarHBondContact O-N 2.92Å; Y124-R127 WeakPolarHBondContact O-CB 3.42Å; Y124-R127 PolarHBondContact O-N 2.96Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 2.96Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 2.83Å; R127-M130 WeakPolarHBondContact O-CA 3.41Å; R127-M130 WeakPolarHBondContact O-CB 2.74Å; R127-M130 PolarHBondContact O-N 3.41Å; R127-D131 IonicContact NH1-OD2 3.83Å; R127-D131 PolarHBondContact O-N 3.24Å; R127-E195 IonicContact CZ-OE1 3.64Å; R127-E195 IonicContact NH1-OE1 3.54Å; R127-E195 PolarHBondContact NH1-OE1 3.16Å; R127-E195 IonicContact NH2-OE1 2.72Å; R127-E195 PolarHBondContact NH2-OE1 3.3Å; R127-E195 IonicContact NH2-OE2 2.78Å
128L98Very high96.8Very high0 Ų058.7 Ų58.70%030%0.298CS..Hα-helixtrans-62.3-37.3179.6-59.4-179.8000112.2Y124 A125 M130 D131 L132 V157 L160 L187 L191Y124-L128 HydrophobicContact CD1-CD1 3.98Å; Y124-L128 HydrophobicContact CD1-CG 4.49Å; Y124-L128 HydrophobicContact CE1-CD1 3.41Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.41Å; Y124-L128 HydrophobicContact CE1-CG 4.15Å; Y124-L128 WeakPolarHBondContact O-CG 3.41Å; Y124-L128 PolarHBondContact O-N 3.23Å; Y124-L128 VanDerWaalsContact O-N 3.15Å; A125-L128 PolarHBondContact O-N 3.11Å; L128-M130 VanDerWaalsContact C-N 3.34Å; L128-D131 PolarHBondContact O-N 2.88Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 2.85Å; L128-L132 VanDerWaalsContact O-N 3.12Å; L128-V157 HydrophobicContact CB-CG1 3.82Å; L128-V157 HydrophobicContact CB-CG2 4.01Å; L128-V157 HydrophobicContact CD1-CG1 4.09Å; L128-L160 HydrophobicContact CD1-CB 3.61Å; L128-L160 HydrophobicContact CD1-CD1 3.97Å; L128-L160 HydrophobicContact CD1-CG 4.46Å; L128-L187 HydrophobicContact CD2-CD1 3.91Å; L128-L191 HydrophobicContact CD2-CD2 4.12Å
129L98.1Very high96.7Very high0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-64.3-39.1173.5-70.7170.2000111.5V103 M107 A125 H126 R127 L132 G133 F134 V138 M139 I154 V157V103-L129 HydrophobicContact CG1-CD1 3.75Å; M107-L129 HydrophobicContact CG-CD1 4.43Å; M107-L129 HydrophobicContact SD-CD1 4.27Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 2.9Å; H126-L129 PolarHBondContact O-N 2.84Å; R127-L129 VanDerWaalsContact C-N 3.3Å; R127-L129 PolarHBondContact O-N 2.83Å; L129-L132 CarbonylContact O-C 3.58Å; L129-L132 PolarHBondContact O-N 3.21Å; L129-G133 PolarHBondContact O-N 2.83Å; L129-F134 HydrophobicContact CB-CB 4.21Å; L129-F134 HydrophobicContact CB-CD2 4.26Å; L129-F134 HydrophobicContact CB-CG 4.42Å; L129-F134 HydrophobicContact CD2-CD2 3.92Å; L129-F134 HydrophobicContact CD2-CE2 3.97Å; L129-F134 HydrophobicContact CD2-CG 4.36Å; L129-F134 HydrophobicContact CD2-CZ 4.44Å; L129-F134 WeakPolarHBondContact O-CB 3.37Å; L129-F134 VanDerWaalsContact O-CD2 3.3Å; L129-F134 WeakPolarHBondContact O-CD2 3.46Å; L129-F134 PolarHBondContact O-N 2.76Å; L129-V138 HydrophobicContact CB-CG1 4.28Å; L129-V138 HydrophobicContact CD1-CG1 3.92Å; L129-M139 HydrophobicContact CD1-SD 3.79Å; L129-I154 HydrophobicContact CD2-CG1 4.07Å; L129-V157 HydrophobicContact CD2-CB 4.1Å; L129-V157 HydrophobicContact CD2-CG1 4.35Å; L129-V157 HydrophobicContact CD2-CG2 3.97Å; L129-V157 HydrophobicContact CG-CB 4.38Å; L129-V157 HydrophobicContact CG-CG1 4.08Å; L129-V157 HydrophobicContact CG-CG2 4.37Å
130M96.8Very high96.7Very high74 Ų7455 Ų5537%0.36529%0.286SS..Hα-helixtrans-62.5-42.9174.2-66.8-125.566.600111.9H126 R127 L128 L132 G133 R136H126-M130 VanDerWaalsContact O-CG 3.28Å; H126-M130 WeakPolarHBondContact O-CG 3.28Å; H126-M130 PolarHBondContact O-N 3.23Å; R127-M130 WeakPolarHBondContact O-CA 3.41Å; R127-M130 WeakPolarHBondContact O-CB 2.74Å; R127-M130 PolarHBondContact O-N 3.41Å; L128-M130 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 3.34Å; M130-G133 WeakPolarHBondContact O-CA 3.38Å; M130-G133 PolarHBondContact O-N 2.76Å; M130-R136 HydrophobicContact CE-CG 3.78Å; M130-R136 HydrophobicContact SD-CG 3.87Å
131D95.4Very high96.7Very high90 Ų9051.8 Ų51.848%0.48127%0.27SS..Hα-helixtrans-62.2-28.9176.8-64.8-24.4000112R127 L128 G133 L187R127-D131 IonicContact NH1-OD2 3.83Å; R127-D131 PolarHBondContact O-N 3.24Å; L128-D131 PolarHBondContact O-N 2.88Å; D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact O-N 2.73Å; D131-L187 HydrophobicContact CB-CD1 4.41Å
132L96.3Very high96.7Very high3 Ų352.9 Ų52.92%0.01628%0.277CS..THydrogen-bonded Turntrans-830.8173.9-70.4174.4000114.2L128 L129 M130 F134 K153 V157 Q183 V184 L187L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 2.85Å; L128-L132 VanDerWaalsContact O-N 3.12Å; L129-L132 CarbonylContact O-C 3.58Å; L129-L132 PolarHBondContact O-N 3.21Å; M130-L132 PolarHBondContact O-N 3.34Å; L132-F134 HydrophobicContact CB-CD2 3.94Å; L132-F134 HydrophobicContact CB-CE2 4.02Å; L132-K153 HydrophobicContact CB-CD 4.28Å; L132-K153 HydrophobicContact CD1-CB 3.96Å; L132-K153 HydrophobicContact CD1-CG 4.22Å; L132-K153 HydrophobicContact CD2-CD 4.44Å; L132-K153 HydrophobicContact CD2-CG 4.5Å; L132-V157 HydrophobicContact CD1-CG2 3.5Å; L132-V157 VanDerWaalsContact CD1-CG2 3.5Å; L132-Q183 HydrophobicContact CD2-CB 4.09Å; L132-Q183 PolarHBondContact O-NE2 3.22Å; L132-Q183 PolarHBondContact O-OE1 2.98Å; L132-V184 HydrophobicContact CD2-CG2 4.36Å; L132-L187 HydrophobicContact CD1-CD2 3.8Å; L132-L187 HydrophobicContact CD2-CB 4.25Å; L132-L187 HydrophobicContact CD2-CD2 3.84Å; L132-L187 HydrophobicContact CG-CD2 3.86Å
133G94.9Very high96.7Very high60 Ų6050.1 Ų50.162%0.61927%0.265SS*.THydrogen-bonded Turntrans86.119.5174.900000115.1L129 M130 D131L129-G133 PolarHBondContact O-N 2.83Å; M130-G133 WeakPolarHBondContact O-CA 3.38Å; M130-G133 PolarHBondContact O-N 2.76Å; D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact O-N 2.73Å
134F96.7Very high96.6Very high13 Ų1350.6 Ų50.66%0.05726%0.263CS..  trans-76.3155.9172.9-71.9-96.4000112L129 L132 V138 M146 Q150 K153 I154L129-F134 HydrophobicContact CB-CB 4.21Å; L129-F134 HydrophobicContact CB-CD2 4.26Å; L129-F134 HydrophobicContact CB-CG 4.42Å; L129-F134 HydrophobicContact CD2-CD2 3.92Å; L129-F134 HydrophobicContact CD2-CE2 3.97Å; L129-F134 HydrophobicContact CD2-CG 4.36Å; L129-F134 HydrophobicContact CD2-CZ 4.44Å; L129-F134 WeakPolarHBondContact O-CB 3.37Å; L129-F134 VanDerWaalsContact O-CD2 3.3Å; L129-F134 WeakPolarHBondContact O-CD2 3.46Å; L129-F134 PolarHBondContact O-N 2.76Å; L132-F134 HydrophobicContact CB-CD2 3.94Å; L132-F134 HydrophobicContact CB-CE2 4.02Å; F134-V138 HydrophobicContact CB-CB 4.08Å; F134-V138 HydrophobicContact CB-CG1 4.04Å; F134-V138 HydrophobicContact CB-CG2 4.11Å; F134-V138 HydrophobicContact CD1-CB 4.31Å; F134-V138 HydrophobicContact CD1-CG2 3.48Å; F134-V138 VanDerWaalsContact CD1-CG2 3.48Å; F134-V138 HydrophobicContact CE1-CG2 4.18Å; F134-V138 HydrophobicContact CG-CG2 4.08Å; F134-M146 HydrophobicContact CE1-SD 4.34Å; F134-Q150 HydrophobicContact CE1-CB 3.75Å; F134-Q150 HydrophobicContact CE1-CG 3.75Å; F134-Q150 HydrophobicContact CZ-CB 3.77Å; F134-Q150 HydrophobicContact CZ-CG 3.87Å; F134-K153 HydrophobicContact CE2-CB 3.71Å; F134-K153 HydrophobicContact CE2-CD 3.9Å; F134-K153 HydrophobicContact CE2-CG 4.46Å; F134-K153 HydrophobicContact CZ-CB 3.87Å; F134-K153 HydrophobicContact CZ-CD 4.33Å; F134-I154 HydrophobicContact CE1-CD1 3.93Å; F134-I154 HydrophobicContact CE1-CG1 4Å; F134-I154 HydrophobicContact CZ-CD1 4.22Å; F134-I154 HydrophobicContact CZ-CG1 3.87Å
135S95.5Very high96.4Very high56 Ų5656.1 Ų56.139%0.39229%0.29SS..  trans-71.9160.8174650000111.5D137 V138S135-D137 WeakPolarHBondContact CB-OD1 3.42Å; S135-D137 PolarHBondContact O-N 3.18Å; S135-D137 PolarHBondContact OG-OD1 2.7Å; S135-V138 WeakPolarHBondContact O-CB 3.43Å; S135-V138 VanDerWaalsContact O-CG1 3.23Å; S135-V138 WeakPolarHBondContact O-CG1 3.39Å; S135-V138 PolarHBondContact O-N 3.43Å
136R93Very high96.3Very high202 Ų20257 Ų5776%0.76229%0.294SS*.THydrogen-bonded Turntrans-64.5-28.2-177-69.3-175.7177.4-158.9-0.5113.3H126 M130H126-R136 PolarHBondContact NE2-O 3.03Å; M130-R136 HydrophobicContact CE-CG 3.78Å; M130-R136 HydrophobicContact SD-CG 3.87Å
137D95.2Very high96.1Very high84 Ų8457.6 Ų57.645%0.44930%0.304SS..THydrogen-bonded Turntrans-85.6-3.3-178.163.7-54.3000113.9S135 M139 S140 Q141S135-D137 WeakPolarHBondContact CB-OD1 3.42Å; S135-D137 PolarHBondContact O-N 3.18Å; S135-D137 PolarHBondContact OG-OD1 2.7Å; D137-M139 PolarHBondContact O-N 3.03Å; D137-S140 PolarHBondContact O-N 3.44Å; D137-S140 PolarHBondContact O-OG 2.69Å; D137-Q141 PolarHBondContact OD2-NE2 3.39Å
138V97Very high95.8Very high1 Ų155.1 Ų55.11%0.00631%0.307CS..G310 helixtrans-48.8-35.2-177.467.50000113.4V103 L129 F134 S135 S140 Q141 M146V103-V138 WeakPolarHBondContact CB-O 3.21Å; V103-V138 HydrophobicContact CG1-CG2 4.4Å; V103-V138 HydrophobicContact CG2-CG2 4.35Å; L129-V138 HydrophobicContact CB-CG1 4.28Å; L129-V138 HydrophobicContact CD1-CG1 3.92Å; F134-V138 HydrophobicContact CB-CB 4.08Å; F134-V138 HydrophobicContact CB-CG1 4.04Å; F134-V138 HydrophobicContact CB-CG2 4.11Å; F134-V138 HydrophobicContact CD1-CB 4.31Å; F134-V138 HydrophobicContact CD1-CG2 3.48Å; F134-V138 VanDerWaalsContact CD1-CG2 3.48Å; F134-V138 HydrophobicContact CE1-CG2 4.18Å; F134-V138 HydrophobicContact CG-CG2 4.08Å; S135-V138 WeakPolarHBondContact O-CB 3.43Å; S135-V138 VanDerWaalsContact O-CG1 3.23Å; S135-V138 WeakPolarHBondContact O-CG1 3.39Å; S135-V138 PolarHBondContact O-N 3.43Å; V138-S140 PolarHBondContact O-N 3.26Å; V138-Q141 WeakPolarHBondContact O-CB 3.22Å; V138-Q141 PolarHBondContact O-N 2.98Å; V138-M146 HydrophobicContact CG2-CE 4.11Å
139M97Very high95.5Very high14 Ų1456 Ų567%0.06932%0.317CS..G310 helixtrans-59.2-32.4-177.8-65-62.3-81.400113V103 E104 M107 K122 H126 L129 D137V103-M139 HydrophobicContact CG1-SD 4.18Å; E104-M139 HydrophobicContact CB-CB 4.2Å; E104-M139 HydrophobicContact CB-CE 4.05Å; E104-M139 VanDerWaalsContact CB-O 3.25Å; E104-M139 WeakPolarHBondContact CB-O 3.37Å; E104-M139 HydrophobicContact CG-CE 4.15Å; E104-M139 PolarHBondContact N-O 3.37Å; M107-M139 HydrophobicContact CB-CE 4.38Å; M107-M139 HydrophobicContact CG-CE 4.1Å; M107-M139 HydrophobicContact CG-SD 4.21Å; K122-M139 HydrophobicContact CG-CE 3.6Å; H126-M139 HydrophobicContact CB-CE 4.47Å; H126-M139 HydrophobicContact CB-CG 4.4Å; H126-M139 HydrophobicContact CB-SD 4.3Å; H126-M139 VanDerWaalsContact CD2-CG 3.46Å; H126-M139 WeakPolarHBondContact CD2-CG 3.44Å; L129-M139 HydrophobicContact CD1-SD 3.79Å; D137-M139 PolarHBondContact O-N 3.03Å
140S96.8Very high95.4Very high89 Ų8959.3 Ų59.362%0.62233%0.332SS*.G310 helixtrans-86.3-10.4178.863.10000114.3D137 V138D137-S140 PolarHBondContact O-N 3.44Å; D137-S140 PolarHBondContact O-OG 2.69Å; V138-S140 PolarHBondContact O-N 3.26Å
141Q97Very high95.3Very high55 Ų5558 Ų5826%0.25733%0.326SS..SBendtrans-83.4159.7-178-59.8-174.424.600111T102 V103 D137 V138 M146T102-Q141 WeakPolarHBondContact CA-O 3.45Å; V103-Q141 PolarHBondContact N-O 2.95Å; D137-Q141 PolarHBondContact OD2-NE2 3.39Å; V138-Q141 WeakPolarHBondContact O-CB 3.22Å; V138-Q141 PolarHBondContact O-N 2.98Å; Q141-M146 HydrophobicContact CB-CE 3.48Å; Q141-M146 VanDerWaalsContact CB-CE 3.48Å; Q141-M146 HydrophobicContact CG-CE 4.22Å
142S97.3Very high95.3Very high27 Ų2754.1 Ų54.119%0.18930%0.304CS..  trans-81.5134.2173.1-172.70000110.5D101 F144 Q145D101-S142 VanDerWaalsContact O-CA 3.3Å; D101-S142 WeakPolarHBondContact O-CA 3.16Å; D101-S142 VanDerWaalsContact O-CB 3.3Å; D101-S142 WeakPolarHBondContact O-CB 3.23Å; D101-S142 PolarHBondContact O-OG 3.34Å; D101-S142 VanDerWaalsContact O-OG 3.1Å; S142-F144 PolarHBondContact O-N 3.42Å; S142-Q145 PolarHBondContact O-N 2.57Å; S142-Q145 VanDerWaalsContact O-N 3.1Å
143P96.7Very high95.3Very high0 Ų054.5 Ų54.50%031%0.306CS..G310 helixtrans-58.1-31174.922.3-31.4000111.9L98 E100 V103 Q145 M146 M151L98-P143 HydrophobicContact CB-CB 4.48Å; L98-P143 HydrophobicContact CD1-CB 4.04Å; E100-P143 VanDerWaalsContact O-CG 3.3Å; E100-P143 WeakPolarHBondContact O-CG 3.27Å; V103-P143 HydrophobicContact CG2-CB 4.37Å; P143-Q145 PolarHBondContact O-N 3.12Å; P143-M146 VanDerWaalsContact O-CB 3.23Å; P143-M146 WeakPolarHBondContact O-CB 3.41Å; P143-M146 WeakPolarHBondContact O-CG 3.49Å; P143-M146 PolarHBondContact O-N 2.93Å; P143-M146 VanDerWaalsContact O-N 3.14Å; P143-M151 VanDerWaalsContact O-CG 3.29Å; P143-M151 WeakPolarHBondContact O-CG 3.4Å
144F95.4Very high95.4Very high118 Ų11851.7 Ų51.752%0.51828%0.277SS..G310 helixtrans-73-8.2-179.6-54.4-66.9000114.5E100 S142 M146E100-F144 WeakPolarHBondContact O-CE2 3.29Å; S142-F144 PolarHBondContact O-N 3.42Å; F144-M146 VanDerWaalsContact C-N 3.34Å
145Q94.9Very high95.4Very high148 Ų14851.1 Ų51.169%0.69227%0.274SS*.G310 helixtrans-88.5-6.4172.8-68.3171-29.300112.4S142 P143S142-Q145 PolarHBondContact O-N 2.57Å; S142-Q145 VanDerWaalsContact O-N 3.1Å; P143-Q145 PolarHBondContact O-N 3.12Å
146M94.4Very high95.4Very high17 Ų1748.5 Ų48.58%0.08426%0.256CS..SBendtrans-87.8155.4-173.2-58-72.8164.300111.8F134 V138 Q141 P143 F144 Q150 M151 I154F134-M146 HydrophobicContact CE1-SD 4.34Å; V138-M146 HydrophobicContact CG2-CE 4.11Å; Q141-M146 HydrophobicContact CB-CE 3.48Å; Q141-M146 VanDerWaalsContact CB-CE 3.48Å; Q141-M146 HydrophobicContact CG-CE 4.22Å; P143-M146 VanDerWaalsContact O-CB 3.23Å; P143-M146 WeakPolarHBondContact O-CB 3.41Å; P143-M146 WeakPolarHBondContact O-CG 3.49Å; P143-M146 PolarHBondContact O-N 2.93Å; P143-M146 VanDerWaalsContact O-N 3.14Å; F144-M146 VanDerWaalsContact C-N 3.34Å; M146-Q150 HydrophobicContact CB-CB 3.75Å; M146-Q150 HydrophobicContact CG-CB 4.46Å; M146-Q150 HydrophobicContact SD-CB 4.48Å; M146-M151 HydrophobicContact CB-CG 3.86Å; M146-I154 HydrophobicContact CB-CD1 4.36Å; M146-I154 HydrophobicContact CG-CD1 3.67Å; M146-I154 HydrophobicContact SD-CD1 4.33Å
147S93.6Very high95.7Very high64 Ų6438.9 Ų38.945%0.44822%0.22SC..  trans-62.4157.7168.263.90000111.6G149 Q150 M151S147-G149 VanDerWaalsContact C-N 3.28Å; S147-G149 PolarHBondContact O-N 3.42Å; S147-Q150 CarbonylContact O-C 3.6Å; S147-Q150 WeakPolarHBondContact O-CA 3.21Å; S147-Q150 WeakPolarHBondContact O-CB 3.28Å; S147-Q150 PolarHBondContact O-N 3.22Å; S147-Q150 WeakPolarHBondContact OG-CB 3.46Å; S147-Q150 VanDerWaalsContact OG-CG 3.3Å; S147-Q150 WeakPolarHBondContact OG-CG 3.28Å; S147-Q150 PolarHBondContact OG-N 2.99Å; S147-Q150 PolarHBondContact OG-OE1 3.26Å; S147-M151 PolarHBondContact O-N 3.47Å
148G91.6Very high95.7Very high42 Ų4235.5 Ų35.543%0.43320%0.203SC..Hα-helixtrans-52.7-42.7179.100000113.9Q150 M151 R152G148-Q150 PolarHBondContact O-N 2.98Å; G148-M151 PolarHBondContact O-N 3.19Å; G148-R152 PolarHBondContact O-N 3.49Å
149G92.4Very high95.7Very high19 Ų1936.1 Ų36.120%0.19621%0.206CC..Hα-helixtrans-68.2-32.4176.600000113.9S147 K153 L176S147-G149 VanDerWaalsContact C-N 3.28Å; S147-G149 PolarHBondContact O-N 3.42Å; G149-K153 WeakPolarHBondContact O-CG 3.45Å; G149-K153 PolarHBondContact O-N 3.47Å; G149-L176 VanDerWaalsContact CA-CD2 3.48Å
150Q94.6Very high95.7Very high69 Ų6935.4 Ų35.432%0.32220%0.202SC..Hα-helixtrans-72.2-43173.3-77171.1-52.800111.8F134 M146 S147 G148 R152 K153 I154F134-Q150 HydrophobicContact CE1-CB 3.75Å; F134-Q150 HydrophobicContact CE1-CG 3.75Å; F134-Q150 HydrophobicContact CZ-CB 3.77Å; F134-Q150 HydrophobicContact CZ-CG 3.87Å; M146-Q150 HydrophobicContact CB-CB 3.75Å; M146-Q150 HydrophobicContact CG-CB 4.46Å; M146-Q150 HydrophobicContact SD-CB 4.48Å; S147-Q150 CarbonylContact O-C 3.6Å; S147-Q150 WeakPolarHBondContact O-CA 3.21Å; S147-Q150 WeakPolarHBondContact O-CB 3.28Å; S147-Q150 PolarHBondContact O-N 3.22Å; S147-Q150 WeakPolarHBondContact OG-CB 3.46Å; S147-Q150 VanDerWaalsContact OG-CG 3.3Å; S147-Q150 WeakPolarHBondContact OG-CG 3.28Å; S147-Q150 PolarHBondContact OG-N 2.99Å; S147-Q150 PolarHBondContact OG-OE1 3.26Å; G148-Q150 PolarHBondContact O-N 2.98Å; Q150-R152 VanDerWaalsContact C-N 3.26Å; Q150-R152 PolarHBondContact O-N 3.35Å; Q150-K153 WeakPolarHBondContact O-CB 3.39Å; Q150-K153 PolarHBondContact O-N 2.96Å; Q150-K153 VanDerWaalsContact O-N 3.16Å; Q150-I154 WeakPolarHBondContact O-CG1 3.16Å; Q150-I154 PolarHBondContact O-N 3.38Å
151M95.5Very high95.7Very high46 Ų4631.2 Ų31.223%0.22717%0.173CC..Hα-helixtrans-55.5-44.8173.4-72.4-167.5-69.800110.8E95 L98 P143 M146 S147 G148 K153 I154 A155E95-M151 HydrophobicContact CB-CB 3.81Å; L98-M151 HydrophobicContact CD1-CB 3.7Å; L98-M151 HydrophobicContact CD1-CG 4.08Å; P143-M151 VanDerWaalsContact O-CG 3.29Å; P143-M151 WeakPolarHBondContact O-CG 3.4Å; M146-M151 HydrophobicContact CB-CG 3.86Å; S147-M151 PolarHBondContact O-N 3.47Å; G148-M151 PolarHBondContact O-N 3.19Å; M151-K153 PolarHBondContact O-N 3.3Å; M151-I154 PolarHBondContact O-N 2.74Å; M151-A155 PolarHBondContact O-N 3.01Å
152R95.4Very high95.7Very high10 Ų1029.9 Ų29.94%0.03817%0.167CC..Hα-helixtrans-58.7-47.3175.8179.3163.1-61.8-168.213.5112.8P94 E95 G148 Q150 I154 A155 I156 P172 A174 L176P94-R152 HydrophobicContact CG-CG 3.87Å; E95-R152 IonicContact OE1-CZ 2.87Å; E95-R152 IonicContact OE1-NE 3.31Å; E95-R152 PolarHBondContact OE1-NE 2.94Å; E95-R152 IonicContact OE1-NH2 3.11Å; E95-R152 PolarHBondContact OE1-NH2 3.44Å; E95-R152 WeakPolarHBondContact OE2-CB 3.29Å; E95-R152 IonicContact OE2-CZ 2.8Å; E95-R152 IonicContact OE2-NE 2.88Å; E95-R152 PolarHBondContact OE2-NE 3.41Å; E95-R152 IonicContact OE2-NH2 2.81Å; E95-R152 PolarHBondContact OE2-NH2 3.22Å; G148-R152 PolarHBondContact O-N 3.49Å; Q150-R152 VanDerWaalsContact C-N 3.26Å; Q150-R152 PolarHBondContact O-N 3.35Å; R152-I154 VanDerWaalsContact C-N 3.32Å; R152-I154 PolarHBondContact O-N 3.27Å; R152-A155 PolarHBondContact O-N 3.06Å; R152-I156 HydrophobicContact CG-CD1 4.11Å; R152-I156 WeakPolarHBondContact O-CG1 3.39Å; R152-I156 PolarHBondContact O-N 3.34Å; R152-P172 VanDerWaalsContact CD-O 3.3Å; R152-P172 WeakPolarHBondContact CD-O 3.46Å; R152-A174 PolarHBondContact NH1-O 2.75Å; R152-A174 PolarHBondContact NH2-O 2.79Å; R152-L176 HydrophobicContact CB-CD2 4.4Å
153K95.7Very high95.6Very high11 Ų1131.7 Ų31.75%0.04817%0.174CC..Hα-helixtrans-59.8-43176.6-75.9173.7-169.31750111.6L132 F134 G149 Q150 M151 A155 I156 V157 S180 V184L132-K153 HydrophobicContact CB-CD 4.28Å; L132-K153 HydrophobicContact CD1-CB 3.96Å; L132-K153 HydrophobicContact CD1-CG 4.22Å; L132-K153 HydrophobicContact CD2-CD 4.44Å; L132-K153 HydrophobicContact CD2-CG 4.5Å; F134-K153 HydrophobicContact CE2-CB 3.71Å; F134-K153 HydrophobicContact CE2-CD 3.9Å; F134-K153 HydrophobicContact CE2-CG 4.46Å; F134-K153 HydrophobicContact CZ-CB 3.87Å; F134-K153 HydrophobicContact CZ-CD 4.33Å; G149-K153 WeakPolarHBondContact O-CG 3.45Å; G149-K153 PolarHBondContact O-N 3.47Å; Q150-K153 WeakPolarHBondContact O-CB 3.39Å; Q150-K153 PolarHBondContact O-N 2.96Å; Q150-K153 VanDerWaalsContact O-N 3.16Å; M151-K153 PolarHBondContact O-N 3.3Å; K153-A155 PolarHBondContact O-N 2.91Å; K153-I156 PolarHBondContact O-N 3.17Å; K153-V157 WeakPolarHBondContact O-CG2 3.33Å; K153-V157 PolarHBondContact O-N 3.35Å; K153-S180 WeakPolarHBondContact CE-OG 3.3Å; K153-S180 PolarHBondContact NZ-OG 3.49Å; K153-V184 HydrophobicContact CG-CG2 4.09Å
154I97.1Very high95.6Very high0 Ų031.8 Ų31.80%018%0.175CC..Hα-helixtrans-60.4-45.7175.7-69.7162.4000110.3L98 V103 M107 L129 F134 M146 Q150 M151 R152 I156 V157 S158L98-I154 HydrophobicContact CD2-CG2 3.88Å; V103-I154 HydrophobicContact CG1-CG2 4.21Å; V103-I154 HydrophobicContact CG2-CD1 3.85Å; V103-I154 HydrophobicContact CG2-CG1 4.49Å; V103-I154 HydrophobicContact CG2-CG2 4.37Å; M107-I154 HydrophobicContact CE-CG2 3.65Å; M107-I154 WeakPolarHBondContact CE-O 3.18Å; L129-I154 HydrophobicContact CD2-CG1 4.07Å; F134-I154 HydrophobicContact CE1-CD1 3.93Å; F134-I154 HydrophobicContact CE1-CG1 4Å; F134-I154 HydrophobicContact CZ-CD1 4.22Å; F134-I154 HydrophobicContact CZ-CG1 3.87Å; M146-I154 HydrophobicContact CB-CD1 4.36Å; M146-I154 HydrophobicContact CG-CD1 3.67Å; M146-I154 HydrophobicContact SD-CD1 4.33Å; Q150-I154 WeakPolarHBondContact O-CG1 3.16Å; Q150-I154 PolarHBondContact O-N 3.38Å; M151-I154 PolarHBondContact O-N 2.74Å; R152-I154 VanDerWaalsContact C-N 3.32Å; R152-I154 PolarHBondContact O-N 3.27Å; I154-I156 VanDerWaalsContact C-N 3.35Å; I154-I156 PolarHBondContact O-N 2.86Å; I154-V157 PolarHBondContact O-N 3.21Å; I154-V157 VanDerWaalsContact O-N 3.15Å; I154-S158 PolarHBondContact O-N 3.48Å
155A96.7Very high95.6Very high1 Ų128.2 Ų28.21%0.00816%0.161CC..Hα-helixtrans-64.7-36.5178.500000113.2P94 L98 M151 R152 K153 S158P94-A155 HydrophobicContact CB-CB 3.77Å; P94-A155 HydrophobicContact CG-CB 4.19Å; P94-A155 VanDerWaalsContact O-CB 3.25Å; P94-A155 WeakPolarHBondContact O-CB 3.44Å; L98-A155 HydrophobicContact CD2-CB 3.89Å; L98-A155 HydrophobicContact CG-CB 4.19Å; M151-A155 PolarHBondContact O-N 3.01Å; R152-A155 PolarHBondContact O-N 3.06Å; K153-A155 PolarHBondContact O-N 2.91Å; A155-S158 PolarHBondContact O-OG 2.68Å
156I97Very high95.7Very high2 Ų221.1 Ų21.11%0.0113%0.128CC..Hα-helixtrans-61.4-49.5171.3-68.1165.6000109.6V90 P94 R152 K153 I154 S158 I159 L160 P172 V184V90-I156 HydrophobicContact CG1-CG1 3.86Å; P94-I156 HydrophobicContact CG-CG1 4.29Å; R152-I156 HydrophobicContact CG-CD1 4.11Å; R152-I156 WeakPolarHBondContact O-CG1 3.39Å; R152-I156 PolarHBondContact O-N 3.34Å; K153-I156 PolarHBondContact O-N 3.17Å; I154-I156 VanDerWaalsContact C-N 3.35Å; I154-I156 PolarHBondContact O-N 2.86Å; I156-S158 VanDerWaalsContact C-N 3.33Å; I156-S158 PolarHBondContact O-N 3.02Å; I156-I159 PolarHBondContact O-N 3.3Å; I156-L160 HydrophobicContact CG2-CD1 3.87Å; I156-L160 HydrophobicContact CG2-CG 4.32Å; I156-L160 WeakPolarHBondContact O-CG 3.25Å; I156-L160 PolarHBondContact O-N 3.08Å; I156-L160 VanDerWaalsContact O-N 3.1Å; I156-P172 HydrophobicContact CD1-CB 4.28Å; I156-V184 HydrophobicContact CD1-CG1 3.98Å; I156-V184 HydrophobicContact CD1-CG2 4.26Å
157V97.6Very high95.9Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-66.3-33-177.7-179.40000112.4M107 A125 L128 L129 L132 K153 I154 I159 L160 A161M107-V157 HydrophobicContact SD-CB 4.03Å; M107-V157 HydrophobicContact SD-CG1 3.63Å; A125-V157 HydrophobicContact CB-CG1 4Å; L128-V157 HydrophobicContact CB-CG1 3.82Å; L128-V157 HydrophobicContact CB-CG2 4.01Å; L128-V157 HydrophobicContact CD1-CG1 4.09Å; L129-V157 HydrophobicContact CD2-CB 4.1Å; L129-V157 HydrophobicContact CD2-CG1 4.35Å; L129-V157 HydrophobicContact CD2-CG2 3.97Å; L129-V157 HydrophobicContact CG-CB 4.38Å; L129-V157 HydrophobicContact CG-CG1 4.08Å; L129-V157 HydrophobicContact CG-CG2 4.37Å; L132-V157 HydrophobicContact CD1-CG2 3.5Å; L132-V157 VanDerWaalsContact CD1-CG2 3.5Å; K153-V157 WeakPolarHBondContact O-CG2 3.33Å; K153-V157 PolarHBondContact O-N 3.35Å; I154-V157 PolarHBondContact O-N 3.21Å; I154-V157 VanDerWaalsContact O-N 3.15Å; V157-I159 PolarHBondContact O-N 2.83Å; V157-L160 CarbonylContact O-C 3.59Å; V157-L160 PolarHBondContact O-N 3.36Å; V157-L160 VanDerWaalsContact O-N 3.09Å; V157-A161 WeakPolarHBondContact O-CB 3.42Å; V157-A161 PolarHBondContact O-N 2.91Å
158S97.1Very high96.1Very high13 Ų1317.3 Ų17.39%0.09110%0.103CC..Hα-helixtrans-60.8-35.1177.274.90000112.1M107 I154 A155 I156 A161M107-S158 VanDerWaalsContact CE-CB 3.48Å; I154-S158 PolarHBondContact O-N 3.48Å; A155-S158 PolarHBondContact O-OG 2.68Å; I156-S158 VanDerWaalsContact C-N 3.33Å; I156-S158 PolarHBondContact O-N 3.02Å; S158-A161 WeakPolarHBondContact O-CB 3.28Å
159I96.5Very high96.3Very high13 Ų1315.3 Ų15.37%0.0678%0.083CC..Hα-helixtrans-73.5-43174.2-65.6159.9000110.5M89 V90 I156 V157 A161 M162M89-I159 WeakPolarHBondContact O-CD1 3.24Å; V90-I159 HydrophobicContact CB-CD1 4.07Å; V90-I159 HydrophobicContact CG1-CD1 4.31Å; V90-I159 HydrophobicContact CG2-CB 4.23Å; V90-I159 HydrophobicContact CG2-CD1 3.69Å; V90-I159 HydrophobicContact CG2-CG2 4.13Å; I156-I159 PolarHBondContact O-N 3.3Å; V157-I159 PolarHBondContact O-N 2.83Å; I159-A161 PolarHBondContact O-N 3.05Å; I159-M162 HydrophobicContact CG2-CE 4.16Å; I159-M162 WeakPolarHBondContact O-CE 3.44Å; I159-M162 PolarHBondContact O-N 3.38Å
160L97.3Very high96.5Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-64.5-27.3177.4-63.2176.7000112.6Y124 L128 I156 V157 M162 N163 I167 L187 L191Y124-L160 VanDerWaalsContact CE1-O 3.22Å; Y124-L160 WeakPolarHBondContact CE1-O 3.42Å; L128-L160 HydrophobicContact CD1-CB 3.61Å; L128-L160 HydrophobicContact CD1-CD1 3.97Å; L128-L160 HydrophobicContact CD1-CG 4.46Å; I156-L160 HydrophobicContact CG2-CD1 3.87Å; I156-L160 HydrophobicContact CG2-CG 4.32Å; I156-L160 WeakPolarHBondContact O-CG 3.25Å; I156-L160 PolarHBondContact O-N 3.08Å; I156-L160 VanDerWaalsContact O-N 3.1Å; V157-L160 CarbonylContact O-C 3.59Å; V157-L160 PolarHBondContact O-N 3.36Å; V157-L160 VanDerWaalsContact O-N 3.09Å; L160-M162 PolarHBondContact O-N 2.94Å; L160-M162 VanDerWaalsContact O-N 3.09Å; L160-N163 WeakPolarHBondContact O-CA 3.43Å; L160-N163 PolarHBondContact O-N 3.03Å; L160-I167 HydrophobicContact CD2-CB 4.47Å; L160-I167 HydrophobicContact CD2-CD1 3.48Å; L160-I167 VanDerWaalsContact CD2-CD1 3.48Å; L160-I167 HydrophobicContact CD2-CG1 3.78Å; L160-I167 HydrophobicContact CD2-CG2 3.8Å; L160-L187 HydrophobicContact CD1-CD2 4.11Å; L160-L191 HydrophobicContact CD1-CD1 3.78Å; L160-L191 HydrophobicContact CD2-CD1 3.98Å; L160-L191 HydrophobicContact CG-CD1 4.5Å
161A97Very high96.4Very high1 Ų113.5 Ų13.51%0.0087%0.07CC..THydrogen-bonded Turntrans-59.2-21.6178.400000113.5M107 P111 A125 V157 S158 I159 N163M107-A161 VanDerWaalsContact O-CB 3.24Å; M107-A161 WeakPolarHBondContact O-CB 3.41Å; P111-A161 HydrophobicContact CG-CB 4.26Å; A125-A161 HydrophobicContact CB-CB 3.87Å; V157-A161 WeakPolarHBondContact O-CB 3.42Å; V157-A161 PolarHBondContact O-N 2.91Å; S158-A161 WeakPolarHBondContact O-CB 3.28Å; I159-A161 PolarHBondContact O-N 3.05Å; A161-N163 PolarHBondContact O-N 3.13Å
162M95.7Very high96.3Very high27 Ų2711.4 Ų11.413%0.1336%0.059CC..THydrogen-bonded Turntrans-73.3-4.4171.1-62.2-173.9-67.200113.6P111 F114 M116 I159 L160P111-M162 HydrophobicContact CG-CG 4.4Å; F114-M162 HydrophobicContact CD2-SD 3.88Å; F114-M162 HydrophobicContact CE2-SD 3.68Å; M116-M162 WeakPolarHBondContact CE-O 3.37Å; I159-M162 HydrophobicContact CG2-CE 4.16Å; I159-M162 WeakPolarHBondContact O-CE 3.44Å; I159-M162 PolarHBondContact O-N 3.38Å; L160-M162 PolarHBondContact O-N 2.94Å; L160-M162 VanDerWaalsContact O-N 3.09Å
163N96.1Very high96.1Very high64 Ų6411.5 Ų11.534%0.3426%0.061SC..  trans49.851.6-176.7-166.314.6000113.3L160 A161 K197L160-N163 WeakPolarHBondContact O-CA 3.43Å; L160-N163 PolarHBondContact O-N 3.03Å; A161-N163 PolarHBondContact O-N 3.13Å; N163-K197 WeakPolarHBondContact OD1-CE 3.33Å; N163-K197 PolarHBondContact OD1-NZ 3.18Å
164P96.4Very high95.8Very high2 Ų211.9 Ų11.91%0.0137%0.066CC..  trans-64.4154.2-17931.3-37.3000111.2R86 G88 I167 K197R86-P164 WeakPolarHBondContact O-CB 3.35Å; G88-P164 VanDerWaalsContact N-CB 3.32Å; P164-I167 HydrophobicContact CG-CG1 3.86Å; P164-K197 VanDerWaalsContact O-CD 3.3Å; P164-K197 WeakPolarHBondContact O-CD 3.22Å; P164-K197 WeakPolarHBondContact O-CE 3.45Å; P164-K197 PolarHBondContact O-NZ 3.41Å
165D95.7Very high95.2Very high43 Ų4316.2 Ų16.223%0.2311%0.111CC..SBendtrans-77.6-32174.4-64.7-41000111.1M1 R86 A198M1-D165 HydrophobicContact CB-CB 4.44Å; M1-D165 HydrophobicContact SD-CB 3.26Å; M1-D165 WeakPolarHBondContact SD-CB 3.04Å; M1-D165 VanDerWaalsContact SD-OD2 3.36Å; R86-D165 IonicContact CZ-OD2 3.48Å; R86-D165 IonicContact NE-OD2 2.76Å; R86-D165 PolarHBondContact NE-OD2 3.24Å; R86-D165 IonicContact NH2-OD2 3.44Å; R86-D165 PolarHBondContact NH2-OD2 2.98Å; R86-D165 PolarHBondContact O-N 3.08Å; D165-A198 PolarHBondContact O-N 3.08Å
166I97.4Very high94.9Very high0 Ų017.2 Ų17.20%012%0.116CC..EExtended strand (participates in β ladder)trans-125.5128-177.8-59.3-177.6000108.8M1 I3 R86 I87 G88 V168 A198 I200M1-I166 HydrophobicContact CE-CD1 3.9Å; M1-I166 HydrophobicContact CE-CG1 4.36Å; M1-I166 HydrophobicContact CG-CD1 3.92Å; M1-I166 HydrophobicContact CG-CG1 4.46Å; M1-I166 HydrophobicContact SD-CD1 3.75Å; M1-I166 HydrophobicContact SD-CG1 3.85Å; I3-I166 HydrophobicContact CD1-CD1 3.34Å; I3-I166 HydrophobicContact CD1-CG2 4.24Å; I3-I166 HydrophobicContact CG1-CD1 3.45Å; I3-I166 VanDerWaalsContact CG1-CD1 3.45Å; R86-I166 PolarHBondContact O-N 3.39Å; R86-I166 VanDerWaalsContact O-N 3.11Å; I87-I166 CarbonylContact C-O 3.54Å; I87-I166 WeakPolarHBondContact CA-O 3.4Å; I87-I166 HydrophobicContact CG1-CB 4.31Å; I87-I166 HydrophobicContact CG2-CB 4.5Å; I87-I166 HydrophobicContact CG2-CG2 4.35Å; G88-I166 PolarHBondContact N-O 2.95Å; I166-V168 HydrophobicContact CG2-CG2 4.42Å; I166-A198 WeakPolarHBondContact CA-O 3.35Å; I166-A198 HydrophobicContact CB-CB 4.33Å; I166-A198 HydrophobicContact CD1-CB 4.45Å; I166-A198 HydrophobicContact CG1-CB 3.81Å; I166-A198 HydrophobicContact CG2-CB 4.25Å; I166-I200 HydrophobicContact CG2-CD1 3.84Å; I166-I200 HydrophobicContact CG2-CG1 4.32Å
167I98Very high94.7Very high1 Ų120.8 Ų20.81%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-116.5113.4-177.6-56.5159.1000107.8L160 P164 V169 L188 L191 K197 A198 I199 I200L160-I167 HydrophobicContact CD2-CB 4.47Å; L160-I167 HydrophobicContact CD2-CD1 3.48Å; L160-I167 VanDerWaalsContact CD2-CD1 3.48Å; L160-I167 HydrophobicContact CD2-CG1 3.78Å; L160-I167 HydrophobicContact CD2-CG2 3.8Å; P164-I167 HydrophobicContact CG-CG1 3.86Å; I167-V169 HydrophobicContact CG2-CG1 3.9Å; I167-L188 HydrophobicContact CG2-CD2 4.3Å; I167-L191 HydrophobicContact CD1-CB 4.31Å; I167-L191 HydrophobicContact CD1-CD1 3.82Å; I167-K197 HydrophobicContact CD1-CB 4.12Å; I167-K197 HydrophobicContact CD1-CG 4.28Å; I167-A198 PolarHBondContact N-O 3.45Å; I167-I199 HydrophobicContact CB-CD1 3.95Å; I167-I199 HydrophobicContact CD1-CD1 3.68Å; I167-I199 HydrophobicContact CG1-CD1 4.32Å; I167-I199 CarbonylContact O-C 3.43Å; I167-I199 WeakPolarHBondContact O-CA 3.4Å; I167-I200 PolarHBondContact O-N 3.11Å
168V97.8Very high94.5Very high0 Ų025.2 Ų25.20%016%0.164CC..EExtended strand (participates in β ladder)trans-99126174.2-173.40000108.4I50 I53 I87 G88 M89 V90 I166 I200I50-V168 HydrophobicContact CB-CG1 3.8Å; I50-V168 HydrophobicContact CD1-CG1 4.24Å; I50-V168 HydrophobicContact CG2-CG1 3.71Å; I53-V168 HydrophobicContact CD1-CG2 4.33Å; I53-V168 HydrophobicContact CG2-CG2 4.11Å; I87-V168 HydrophobicContact CG2-CG2 3.98Å; G88-V168 PolarHBondContact O-N 3.41Å; M89-V168 HydrophobicContact CE-CG1 4.35Å; M89-V168 HydrophobicContact CG-CB 4.15Å; M89-V168 HydrophobicContact CG-CG2 4.42Å; V90-V168 PolarHBondContact N-O 2.8Å; I166-V168 HydrophobicContact CG2-CG2 4.42Å; V168-I200 CarbonylContact C-O 3.53Å; V168-I200 WeakPolarHBondContact CA-O 3.36Å; V168-I200 HydrophobicContact CG1-CB 4.4Å; V168-I200 HydrophobicContact CG1-CG2 4.43Å; V168-I200 HydrophobicContact CG2-CB 4.22Å; V168-I200 HydrophobicContact CG2-CD1 4.21Å
169V96.5Very high94.3Very high0 Ų030.4 Ų30.40%019%0.187CC..EExtended strand (participates in β ladder)trans-127.4121.8-179.6-66.10000110.7V90 I167 P172 L188 I199 I200 L201 I202V90-V169 HydrophobicContact CB-CB 4.42Å; V90-V169 HydrophobicContact CB-CG1 3.94Å; V90-V169 HydrophobicContact CG2-CG1 3.86Å; I167-V169 HydrophobicContact CG2-CG1 3.9Å; V169-P172 HydrophobicContact CB-CB 4.09Å; V169-P172 HydrophobicContact CB-CG 3.85Å; V169-P172 HydrophobicContact CG2-CG 3.85Å; V169-L188 HydrophobicContact CG1-CD1 4.32Å; V169-L188 HydrophobicContact CG1-CD2 4.09Å; V169-L188 HydrophobicContact CG2-CD1 3.96Å; V169-I199 HydrophobicContact CG2-CG2 4.49Å; V169-I200 PolarHBondContact N-O 3.24Å; V169-L201 HydrophobicContact CG2-CB 4.13Å; V169-L201 HydrophobicContact CG2-CD1 3.65Å; V169-I202 PolarHBondContact O-N 2.97Å
170D95.1Very high94.1Very high16 Ų1630.4 Ų30.49%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-100.2102178.4-164.97.2000110.4I50 V90 Q92 I202I50-D170 HydrophobicContact CD1-CB 4.08Å; V90-D170 PolarHBondContact O-N 3.32Å; Q92-D170 WeakPolarHBondContact CA-O 3.45Å; D170-I202 HydrophobicContact CB-CD1 4.47Å; D170-I202 WeakPolarHBondContact OD1-CB 3.19Å; D170-I202 WeakPolarHBondContact OD1-CG2 3.46Å
171E93Very high94Very high34 Ų3433.1 Ų33.116%0.15920%0.199CC..SBendtrans4755.9-177-57.7-170.6172.500114.3Q92 T173 A174 I202 H204Q92-E171 HydrophobicContact CG-CB 4.35Å; Q92-E171 PolarHBondContact NE2-OE2 2.9Å; E171-T173 PolarHBondContact O-N 2.8Å; E171-A174 HydrophobicContact CB-CB 4.2Å; E171-A174 PolarHBondContact O-N 2.87Å; E171-I202 WeakPolarHBondContact CA-O 3.44Å; E171-I202 PolarHBondContact N-O 3.18Å; E171-H204 IonicContact OE1-CE1 2.6Å; E171-H204 IonicContact OE1-CG 2.97Å; E171-H204 IonicContact OE1-ND1 3.88Å; E171-H204 PolarHBondContact OE1-ND1 3.47Å; E171-H204 IonicContact OE2-CE1 3.6Å; E171-H204 PolarHBondContact OE2-CE1 3.42Å; E171-H204 IonicContact OE2-ND1 3.65Å; E171-H204 PolarHBondContact OE2-ND1 2.95Å
172P93.6Very high93.9Very high1 Ų139.5 Ų39.51%0.00622%0.223CC..THydrogen-bonded Turntrans-62.7-20-171.727.5-36000113.6R152 I156 V169 V184 L188 L201R152-P172 VanDerWaalsContact CD-O 3.3Å; R152-P172 WeakPolarHBondContact CD-O 3.46Å; I156-P172 HydrophobicContact CD1-CB 4.28Å; V169-P172 HydrophobicContact CB-CB 4.09Å; V169-P172 HydrophobicContact CB-CG 3.85Å; V169-P172 HydrophobicContact CG2-CG 3.85Å; P172-V184 HydrophobicContact CB-CG1 4.15Å; P172-L188 HydrophobicContact CG-CD1 4.24Å; P172-L201 VanDerWaalsContact CD-CD1 3.5Å; P172-L201 HydrophobicContact CG-CD1 3.77Å
173T92.2Very high93.9Very high12 Ų1240.3 Ų40.37%0.07423%0.227CC..THydrogen-bonded Turntrans-101.7-0.4-174.3570000114.2E171 G175 L176 K181 V184 M185 E208E171-T173 PolarHBondContact O-N 2.8Å; T173-G175 PolarHBondContact O-N 2.82Å; T173-L176 WeakPolarHBondContact O-CB 3.46Å; T173-L176 PolarHBondContact O-N 2.85Å; T173-L176 VanDerWaalsContact O-N 3.1Å; T173-K181 HydrophobicContact CG2-CB 4.34Å; T173-K181 HydrophobicContact CG2-CG 3.78Å; T173-V184 HydrophobicContact CG2-CB 4.41Å; T173-V184 HydrophobicContact CG2-CG1 4.3Å; T173-M185 HydrophobicContact CG2-CG 3.79Å; T173-M185 HydrophobicContact CG2-SD 3.75Å; T173-E208 WeakPolarHBondContact CB-OE1 3.49Å; T173-E208 WeakPolarHBondContact CG2-OE1 3.25Å; T173-E208 PolarHBondContact OG1-OE1 2.96Å
174A88.3Confident93.9Very high19 Ų1937.4 Ų37.416%0.15721%0.211CC..THydrogen-bonded Turntrans-59.2119.7-175.600000112.6R152 E171 L176R152-A174 PolarHBondContact NH1-O 2.75Å; R152-A174 PolarHBondContact NH2-O 2.79Å; E171-A174 HydrophobicContact CB-CB 4.2Å; E171-A174 PolarHBondContact O-N 2.87Å; A174-L176 PolarHBondContact O-N 3.31Å
175G85.1Confident93.9Very high91 Ų9137.4 Ų37.494%0.93821%0.211SC*.THydrogen-bonded Turntrans74.37.9179.600000115.3T173T173-G175 PolarHBondContact O-N 2.82Å
176L90.8Very high94Very high23 Ų2343.1 Ų43.112%0.1223%0.23CC..  trans-79.5150.2167.1-66.9-175.7000111.1G149 R152 T173 A174 K181 V184G149-L176 VanDerWaalsContact CA-CD2 3.48Å; R152-L176 HydrophobicContact CB-CD2 4.4Å; T173-L176 WeakPolarHBondContact O-CB 3.46Å; T173-L176 PolarHBondContact O-N 2.85Å; T173-L176 VanDerWaalsContact O-N 3.1Å; A174-L176 PolarHBondContact O-N 3.31Å; L176-K181 HydrophobicContact CB-CB 4.47Å; L176-V184 HydrophobicContact CD1-CG2 3.94Å
177D92.9Very high94Very high77 Ų7743.5 Ų43.541%0.41223%0.231SC..  trans-65159.3168.771.284.3000111.4Q179 S180 K181D177-Q179 VanDerWaalsContact C-N 3.25Å; D177-Q179 PolarHBondContact O-N 3.09Å; D177-Q179 VanDerWaalsContact O-N 3.16Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.43Å; D177-Q179 VanDerWaalsContact OD1-CB 3.3Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.37Å; D177-Q179 PolarHBondContact OD1-N 2.88Å; D177-S180 PolarHBondContact O-N 2.94Å; D177-S180 PolarHBondContact OD1-N 3.38Å; D177-S180 WeakPolarHBondContact OD2-CB 3.5Å; D177-S180 PolarHBondContact OD2-OG 2.77Å; D177-K181 WeakPolarHBondContact O-CB 3.36Å; D177-K181 PolarHBondContact O-N 2.91Å
178P92.6Very high94Very high92 Ų9243.5 Ų43.560%0.59723%0.232SC*.Hα-helixtrans-58.4-30.5-176.4-27.535.7000115.1R182P178-R182 WeakPolarHBondContact O-CG 3.48Å; P178-R182 PolarHBondContact O-N 3.32Å; P178-R182 PolarHBondContact O-NE 3.1Å
179Q92.8Very high94Very high123 Ų12345.9 Ų45.958%0.57524%0.242SC*.Hα-helixtrans-73.7-48.5177.3180179.5-5.800110.5D177 K181 R182 Q183D177-Q179 VanDerWaalsContact C-N 3.25Å; D177-Q179 PolarHBondContact O-N 3.09Å; D177-Q179 VanDerWaalsContact O-N 3.16Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.43Å; D177-Q179 VanDerWaalsContact OD1-CB 3.3Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.37Å; D177-Q179 PolarHBondContact OD1-N 2.88Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 3.45Å; Q179-R182 PolarHBondContact O-N 2.91Å; Q179-Q183 WeakPolarHBondContact O-CG 3.43Å; Q179-Q183 PolarHBondContact O-N 3.22Å
180S92.7Very high94Very high12 Ų1247.3 Ų47.38%0.08425%0.252CS..Hα-helixtrans-60.7-41.4177.5-69.50000112.5K153 D177 R182 Q183 V184K153-S180 WeakPolarHBondContact CE-OG 3.3Å; K153-S180 PolarHBondContact NZ-OG 3.49Å; D177-S180 PolarHBondContact O-N 2.94Å; D177-S180 PolarHBondContact OD1-N 3.38Å; D177-S180 WeakPolarHBondContact OD2-CB 3.5Å; D177-S180 PolarHBondContact OD2-OG 2.77Å; S180-R182 PolarHBondContact O-N 3.42Å; S180-Q183 PolarHBondContact O-N 3Å; S180-V184 WeakPolarHBondContact O-CG2 3.28Å; S180-V184 PolarHBondContact O-N 3.15Å
181K94.5Very high94.2Very high57 Ų5746.6 Ų46.625%0.24825%0.248CC..Hα-helixtrans-54.9-50.1172.8174.7171.7-165.9-175.90111.8T173 L176 D177 Q179 Q183 V184 M185 D205 E208T173-K181 HydrophobicContact CG2-CB 4.34Å; T173-K181 HydrophobicContact CG2-CG 3.78Å; L176-K181 HydrophobicContact CB-CB 4.47Å; D177-K181 WeakPolarHBondContact O-CB 3.36Å; D177-K181 PolarHBondContact O-N 2.91Å; Q179-K181 VanDerWaalsContact C-N 3.32Å; Q179-K181 PolarHBondContact O-N 3.45Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; K181-Q183 PolarHBondContact O-N 3.45Å; K181-V184 PolarHBondContact O-N 3.45Å; K181-M185 WeakPolarHBondContact O-CG 3.48Å; K181-M185 PolarHBondContact O-N 2.96Å; K181-D205 IonicContact NZ-OD2 2.67Å; K181-D205 PolarHBondContact NZ-OD2 3.33Å; K181-E208 WeakPolarHBondContact CE-OE1 3.45Å; K181-E208 IonicContact NZ-OE1 3.51Å
182R94.2Very high94.4Very high135 Ų13545.8 Ų45.851%0.50924%0.244SC..Hα-helixtrans-62-39.1177.4-75.8-176.8-66.9-146.22.4112.7P178 Q179 S180 R186P178-R182 WeakPolarHBondContact O-CG 3.48Å; P178-R182 PolarHBondContact O-N 3.32Å; P178-R182 PolarHBondContact O-NE 3.1Å; Q179-R182 PolarHBondContact O-N 2.91Å; S180-R182 PolarHBondContact O-N 3.42Å; R182-R186 VanDerWaalsContact O-CB 3.29Å; R182-R186 WeakPolarHBondContact O-CB 3.4Å; R182-R186 VanDerWaalsContact O-CG 3.22Å; R182-R186 WeakPolarHBondContact O-CG 3.3Å; R182-R186 PolarHBondContact O-N 3.43Å
183Q95.7Very high94.6Very high45 Ų4549.7 Ų49.721%0.2127%0.268CS..Hα-helixtrans-62.7-47.7177.2-72.3174-40.400111.5L132 Q179 S180 K181 R186 L187L132-Q183 HydrophobicContact CD2-CB 4.09Å; L132-Q183 PolarHBondContact O-NE2 3.22Å; L132-Q183 PolarHBondContact O-OE1 2.98Å; Q179-Q183 WeakPolarHBondContact O-CG 3.43Å; Q179-Q183 PolarHBondContact O-N 3.22Å; S180-Q183 PolarHBondContact O-N 3Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; K181-Q183 PolarHBondContact O-N 3.45Å; Q183-R186 PolarHBondContact O-N 3.06Å; Q183-L187 WeakPolarHBondContact O-CB 3.08Å; Q183-L187 PolarHBondContact O-N 3.36Å
184V96.6Very high94.9Very high2 Ų255.2 Ų55.21%0.01230%0.297CS..Hα-helixtrans-62.3-47.5179172.10000111.3L132 K153 I156 P172 T173 L176 S180 K181 R186 L187 L188L132-V184 HydrophobicContact CD2-CG2 4.36Å; K153-V184 HydrophobicContact CG-CG2 4.09Å; I156-V184 HydrophobicContact CD1-CG1 3.98Å; I156-V184 HydrophobicContact CD1-CG2 4.26Å; P172-V184 HydrophobicContact CB-CG1 4.15Å; T173-V184 HydrophobicContact CG2-CB 4.41Å; T173-V184 HydrophobicContact CG2-CG1 4.3Å; L176-V184 HydrophobicContact CD1-CG2 3.94Å; S180-V184 WeakPolarHBondContact O-CG2 3.28Å; S180-V184 PolarHBondContact O-N 3.15Å; K181-V184 PolarHBondContact O-N 3.45Å; V184-R186 PolarHBondContact O-N 3.44Å; V184-L187 WeakPolarHBondContact O-CB 3.38Å; V184-L187 PolarHBondContact O-N 3.27Å; V184-L188 HydrophobicContact CG1-CD1 4.26Å; V184-L188 WeakPolarHBondContact O-CG 3.3Å; V184-L188 PolarHBondContact O-N 3.34Å
185M97.2Very high95.3Very high2 Ų256.9 Ų56.91%0.0130%0.302CS..Hα-helixtrans-66.1-37.4-179.4-64.7-56.6-6500112.7Y35 T173 K181 L188 K189 L201 E208 Y212Y35-M185 VanDerWaalsContact OH-CE 3.3Å; Y35-M185 WeakPolarHBondContact OH-CE 3.19Å; T173-M185 HydrophobicContact CG2-CG 3.79Å; T173-M185 HydrophobicContact CG2-SD 3.75Å; K181-M185 WeakPolarHBondContact O-CG 3.48Å; K181-M185 PolarHBondContact O-N 2.96Å; M185-L188 PolarHBondContact O-N 3.12Å; M185-L188 HydrophobicContact SD-CD1 4.29Å; M185-K189 WeakPolarHBondContact O-CB 3.4Å; M185-K189 PolarHBondContact O-N 3.35Å; M185-L201 HydrophobicContact CE-CD2 3.91Å; M185-E208 HydrophobicContact CE-CB 4.07Å; M185-E208 HydrophobicContact CE-CG 4.31Å; M185-Y212 HydrophobicContact CB-CD2 4.16Å; M185-Y212 HydrophobicContact CB-CE1 4.15Å; M185-Y212 HydrophobicContact CB-CE2 3.55Å; M185-Y212 HydrophobicContact CE-CD2 3.42Å; M185-Y212 VanDerWaalsContact CE-CD2 3.42Å; M185-Y212 HydrophobicContact CE-CE2 3.9Å; M185-Y212 HydrophobicContact CE-CG 3.96Å; M185-Y212 HydrophobicContact CG-CE2 4.05Å
186R96.7Very high95.9Very high164 Ų16456.9 Ų56.962%0.61928%0.28SS*.Hα-helixtrans-65.8-40.6174-76.4176.8-176.7172.5-0.2112.1R182 Q183 V184 K189 S190R182-R186 VanDerWaalsContact O-CB 3.29Å; R182-R186 WeakPolarHBondContact O-CB 3.4Å; R182-R186 VanDerWaalsContact O-CG 3.22Å; R182-R186 WeakPolarHBondContact O-CG 3.3Å; R182-R186 PolarHBondContact O-N 3.43Å; Q183-R186 PolarHBondContact O-N 3.06Å; V184-R186 PolarHBondContact O-N 3.44Å; R186-K189 PolarHBondContact O-N 2.98Å; R186-S190 PolarHBondContact O-N 2.89Å; R186-S190 PolarHBondContact O-OG 2.99Å
187L97.6Very high96.2Very high7 Ų756.4 Ų56.44%0.03728%0.277CS..Hα-helixtrans-59.1-48.8174.2177.867.3000110.9L128 D131 L132 L160 Q183 V184 K189 S190 L191L128-L187 HydrophobicContact CD2-CD1 3.91Å; D131-L187 HydrophobicContact CB-CD1 4.41Å; L132-L187 HydrophobicContact CD1-CD2 3.8Å; L132-L187 HydrophobicContact CD2-CB 4.25Å; L132-L187 HydrophobicContact CD2-CD2 3.84Å; L132-L187 HydrophobicContact CG-CD2 3.86Å; L160-L187 HydrophobicContact CD1-CD2 4.11Å; Q183-L187 WeakPolarHBondContact O-CB 3.08Å; Q183-L187 PolarHBondContact O-N 3.36Å; V184-L187 WeakPolarHBondContact O-CB 3.38Å; V184-L187 PolarHBondContact O-N 3.27Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 3.06Å; L187-S190 PolarHBondContact O-N 3.43Å; L187-S190 PolarHBondContact O-OG 3.03Å; L187-L191 HydrophobicContact CG-CD1 4.24Å; L187-L191 VanDerWaalsContact O-CG 3.26Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 3.26Å
188L98Very high96.5Very high2 Ų252.7 Ų52.71%0.0126%0.258CS..Hα-helixtrans-60.8-40177.7-67173000111.6Y35 I167 V169 P172 V184 M185 L191 Q192 I199Y35-L188 HydrophobicContact CE2-CB 4.16Å; I167-L188 HydrophobicContact CG2-CD2 4.3Å; V169-L188 HydrophobicContact CG1-CD1 4.32Å; V169-L188 HydrophobicContact CG1-CD2 4.09Å; V169-L188 HydrophobicContact CG2-CD1 3.96Å; P172-L188 HydrophobicContact CG-CD1 4.24Å; V184-L188 HydrophobicContact CG1-CD1 4.26Å; V184-L188 WeakPolarHBondContact O-CG 3.3Å; V184-L188 PolarHBondContact O-N 3.34Å; M185-L188 PolarHBondContact O-N 3.12Å; M185-L188 HydrophobicContact SD-CD1 4.29Å; L188-L191 PolarHBondContact O-N 3.22Å; L188-Q192 PolarHBondContact O-N 2.91Å; L188-Q192 VanDerWaalsContact O-N 3.16Å; L188-I199 HydrophobicContact CB-CG2 4.44Å
189K97.8Very high96.7Very high49 Ų4948.3 Ų48.321%0.21323%0.229CC..Hα-helixtrans-66.5-41.3176.5-168.162.6176.1179.10112.3Y35 M185 R186 L187 Q192 T193 Y212 D214Y35-K189 HydrophobicContact CD2-CD 4.09Å; M185-K189 WeakPolarHBondContact O-CB 3.4Å; M185-K189 PolarHBondContact O-N 3.35Å; R186-K189 PolarHBondContact O-N 2.98Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 3.06Å; K189-Q192 VanDerWaalsContact CD-OE1 3.27Å; K189-Q192 WeakPolarHBondContact O-CB 3.36Å; K189-Q192 PolarHBondContact O-N 3.29Å; K189-T193 HydrophobicContact CD-CG2 4.46Å; K189-T193 HydrophobicContact CG-CG2 4.49Å; K189-T193 PolarHBondContact O-N 3.5Å; K189-T193 PolarHBondContact O-OG1 2.6Å; K189-Y212 HydrophobicContact CB-CD1 3.99Å; K189-Y212 HydrophobicContact CB-CE1 4.35Å; K189-Y212 HydrophobicContact CD-CD1 4.27Å; K189-Y212 HydrophobicContact CG-CD1 4.13Å; K189-Y212 PolarHBondContact NZ-O 3.01Å; K189-D214 IonicContact NZ-OD1 3.69Å
190S97.6Very high97Very high31 Ų3142.5 Ų42.522%0.21720%0.202CC..Hα-helixtrans-66.7-37.4177.5680000111.8R186 L187 Q192 T193 D194R186-S190 PolarHBondContact O-N 2.89Å; R186-S190 PolarHBondContact O-OG 2.99Å; L187-S190 PolarHBondContact O-N 3.43Å; L187-S190 PolarHBondContact O-OG 3.03Å; S190-Q192 VanDerWaalsContact C-N 3.26Å; S190-Q192 PolarHBondContact O-N 3.4Å; S190-T193 PolarHBondContact O-N 2.89Å; S190-D194 WeakPolarHBondContact O-CA 3.46Å; S190-D194 WeakPolarHBondContact O-CB 3.38Å; S190-D194 PolarHBondContact O-N 2.89Å
191L98.1Very high97.3Very high0 Ų041.9 Ų41.90%020%0.198CC..Hα-helixtrans-60.4-38.2172.6-67.8171.7000111.5Y124 L128 L160 I167 L187 L188 E195 N196 K197 I199Y124-L191 WeakPolarHBondContact OH-CD2 3.41Å; L128-L191 HydrophobicContact CD2-CD2 4.12Å; L160-L191 HydrophobicContact CD1-CD1 3.78Å; L160-L191 HydrophobicContact CD2-CD1 3.98Å; L160-L191 HydrophobicContact CG-CD1 4.5Å; I167-L191 HydrophobicContact CD1-CB 4.31Å; I167-L191 HydrophobicContact CD1-CD1 3.82Å; L187-L191 HydrophobicContact CG-CD1 4.24Å; L187-L191 VanDerWaalsContact O-CG 3.26Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 3.26Å; L188-L191 PolarHBondContact O-N 3.22Å; L191-E195 WeakPolarHBondContact CD2-OE1 3.49Å; L191-E195 CarbonylContact O-C 3.57Å; L191-E195 WeakPolarHBondContact O-CA 3.13Å; L191-E195 WeakPolarHBondContact O-CB 3.21Å; L191-E195 PolarHBondContact O-N 3.18Å; L191-N196 PolarHBondContact O-N 2.88Å; L191-K197 HydrophobicContact CB-CB 4.41Å; L191-K197 HydrophobicContact CB-CG 4.18Å; L191-K197 WeakPolarHBondContact O-CB 3.45Å; L191-K197 VanDerWaalsContact O-CG 3.24Å; L191-K197 WeakPolarHBondContact O-CG 3.2Å; L191-K197 PolarHBondContact O-N 3.05Å; L191-K197 VanDerWaalsContact O-N 3.13Å; L191-I199 HydrophobicContact CB-CD1 4.47Å
192Q98.2Very high97.4Very high17 Ų1739.2 Ų39.28%0.07919%0.186CC..Hα-helixtrans-66-54173.2-176.1-133.1-12.400111.9G33 L188 K189 S190 N196 K197 I199 D214G33-Q192 WeakPolarHBondContact O-CG 3.39Å; G33-Q192 PolarHBondContact O-NE2 3.47Å; L188-Q192 PolarHBondContact O-N 2.91Å; L188-Q192 VanDerWaalsContact O-N 3.16Å; K189-Q192 VanDerWaalsContact CD-OE1 3.27Å; K189-Q192 WeakPolarHBondContact O-CB 3.36Å; K189-Q192 PolarHBondContact O-N 3.29Å; S190-Q192 VanDerWaalsContact C-N 3.26Å; S190-Q192 PolarHBondContact O-N 3.4Å; Q192-N196 WeakPolarHBondContact O-CA 3.49Å; Q192-N196 PolarHBondContact O-N 3.47Å; Q192-N196 VanDerWaalsContact O-N 3.12Å; Q192-K197 WeakPolarHBondContact CA-O 3.49Å; Q192-K197 WeakPolarHBondContact CG-O 3.45Å; Q192-I199 HydrophobicContact CB-CG1 3.95Å; Q192-D214 PolarHBondContact NE2-OD2 3.16Å
193T97.6Very high97.3Very high84 Ų8433 Ų3352%0.51516%0.164SC..Hα-helixtrans-76-39.9-169.455.10000113.1K189 S190K189-T193 HydrophobicContact CD-CG2 4.46Å; K189-T193 HydrophobicContact CG-CG2 4.49Å; K189-T193 PolarHBondContact O-N 3.5Å; K189-T193 PolarHBondContact O-OG1 2.6Å; S190-T193 PolarHBondContact O-N 2.89Å
194D97.5Very high97Very high127 Ų12737 Ų3768%0.67918%0.182SC*.Hα-helixtrans-96.2-29-168.8-50.5-11.9000110.9S190S190-D194 WeakPolarHBondContact O-CA 3.46Å; S190-D194 WeakPolarHBondContact O-CB 3.38Å; S190-D194 PolarHBondContact O-N 2.89Å
195E97Very high96.8Very high55 Ų5538.3 Ų38.326%0.25719%0.189SC..Hα-helixtrans-115.56.6-177.5-57-171.8-144.300113.6Y124 R127 L191 K197Y124-E195 WeakPolarHBondContact CE2-OE2 3.44Å; Y124-E195 PolarHBondContact OH-OE2 3.42Å; R127-E195 IonicContact CZ-OE1 3.64Å; R127-E195 IonicContact NH1-OE1 3.54Å; R127-E195 PolarHBondContact NH1-OE1 3.16Å; R127-E195 IonicContact NH2-OE1 2.72Å; R127-E195 PolarHBondContact NH2-OE1 3.3Å; R127-E195 IonicContact NH2-OE2 2.78Å; L191-E195 WeakPolarHBondContact CD2-OE1 3.49Å; L191-E195 CarbonylContact O-C 3.57Å; L191-E195 WeakPolarHBondContact O-CA 3.13Å; L191-E195 WeakPolarHBondContact O-CB 3.21Å; L191-E195 PolarHBondContact O-N 3.18Å; E195-K197 HydrophobicContact CB-CG 4.04Å; E195-K197 PolarHBondContact O-N 2.92Å
196N97.4Very high96.7Very high90 Ų9039 Ų3948%0.48119%0.192SC..  trans52.739.5177.3-164.842.6000113.2Q32 G33 L191 Q192Q32-N196 WeakPolarHBondContact CG-O 3.49Å; Q32-N196 PolarHBondContact NE2-O 3.37Å; G33-N196 WeakPolarHBondContact CA-OD1 3.44Å; L191-N196 PolarHBondContact O-N 2.88Å; Q192-N196 WeakPolarHBondContact O-CA 3.49Å; Q192-N196 PolarHBondContact O-N 3.47Å; Q192-N196 VanDerWaalsContact O-N 3.12Å
197K97.9Very high96.7Very high13 Ų1333.6 Ų33.66%0.05718%0.176CC..  trans-84.1147176-55-57.5-171.2165.10110.9N163 P164 I167 L191 Q192 E195 I199N163-K197 WeakPolarHBondContact OD1-CE 3.33Å; N163-K197 PolarHBondContact OD1-NZ 3.18Å; P164-K197 VanDerWaalsContact O-CD 3.3Å; P164-K197 WeakPolarHBondContact O-CD 3.22Å; P164-K197 WeakPolarHBondContact O-CE 3.45Å; P164-K197 PolarHBondContact O-NZ 3.41Å; I167-K197 HydrophobicContact CD1-CB 4.12Å; I167-K197 HydrophobicContact CD1-CG 4.28Å; L191-K197 HydrophobicContact CB-CB 4.41Å; L191-K197 HydrophobicContact CB-CG 4.18Å; L191-K197 WeakPolarHBondContact O-CB 3.45Å; L191-K197 VanDerWaalsContact O-CG 3.24Å; L191-K197 WeakPolarHBondContact O-CG 3.2Å; L191-K197 PolarHBondContact O-N 3.05Å; L191-K197 VanDerWaalsContact O-N 3.13Å; Q192-K197 WeakPolarHBondContact CA-O 3.49Å; Q192-K197 WeakPolarHBondContact CG-O 3.45Å; E195-K197 HydrophobicContact CB-CG 4.04Å; E195-K197 PolarHBondContact O-N 2.92Å; K197-I199 HydrophobicContact CB-CD1 4.33Å
198A98.1Very high96.6Very high0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-83.9134165.100000109.4E31 K34 D165 I166 I167E31-A198 WeakPolarHBondContact O-CB 3.27Å; K34-A198 WeakPolarHBondContact O-CA 3.45Å; D165-A198 PolarHBondContact O-N 3.08Å; I166-A198 WeakPolarHBondContact CA-O 3.35Å; I166-A198 HydrophobicContact CB-CB 4.33Å; I166-A198 HydrophobicContact CD1-CB 4.45Å; I166-A198 HydrophobicContact CG1-CB 3.81Å; I166-A198 HydrophobicContact CG2-CB 4.25Å; I167-A198 PolarHBondContact N-O 3.45Å
199I98.4Very high96.5Very high0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans-113132.4175-49.1-61.2000108.5K34 Y35 Y36 I167 V169 L188 L191 Q192 K197K34-I199 PolarHBondContact O-N 3.34Å; Y35-I199 HydrophobicContact CD1-CB 4.27Å; Y35-I199 HydrophobicContact CD1-CG2 4.32Å; Y35-I199 HydrophobicContact CD2-CB 3.72Å; Y35-I199 HydrophobicContact CD2-CG1 3.84Å; Y35-I199 HydrophobicContact CD2-CG2 4.04Å; Y35-I199 HydrophobicContact CE1-CB 4.35Å; Y35-I199 HydrophobicContact CE1-CG2 3.9Å; Y35-I199 HydrophobicContact CE2-CB 3.82Å; Y35-I199 HydrophobicContact CE2-CG1 3.98Å; Y35-I199 HydrophobicContact CE2-CG2 3.61Å; Y35-I199 HydrophobicContact CG-CB 3.95Å; Y35-I199 HydrophobicContact CG-CG1 4.49Å; Y35-I199 HydrophobicContact CG-CG2 4.37Å; Y36-I199 PolarHBondContact N-O 3.18Å; I167-I199 HydrophobicContact CB-CD1 3.95Å; I167-I199 HydrophobicContact CD1-CD1 3.68Å; I167-I199 HydrophobicContact CG1-CD1 4.32Å; I167-I199 CarbonylContact O-C 3.43Å; I167-I199 WeakPolarHBondContact O-CA 3.4Å; V169-I199 HydrophobicContact CG2-CG2 4.49Å; L188-I199 HydrophobicContact CB-CG2 4.44Å; L191-I199 HydrophobicContact CB-CD1 4.47Å; Q192-I199 HydrophobicContact CB-CG1 3.95Å; K197-I199 HydrophobicContact CB-CD1 4.33Å
200I98.3Very high96.5Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-123.5102175-55.1177.3000107.5F30 Y36 I38 I53 I166 I167 V168 V169F30-I200 HydrophobicContact CB-CD1 4.05Å; F30-I200 HydrophobicContact CD1-CD1 3.39Å; F30-I200 HydrophobicContact CD1-CG1 3.76Å; F30-I200 HydrophobicContact CD2-CD1 4.09Å; F30-I200 HydrophobicContact CE1-CD1 3.75Å; F30-I200 HydrophobicContact CE1-CG1 4.07Å; F30-I200 HydrophobicContact CE1-CG2 4.02Å; F30-I200 HydrophobicContact CE2-CD1 4.4Å; F30-I200 HydrophobicContact CG-CD1 3.58Å; F30-I200 HydrophobicContact CG-CG1 4.38Å; F30-I200 HydrophobicContact CZ-CD1 4.24Å; Y36-I200 HydrophobicContact CD2-CG1 4.47Å; I38-I200 HydrophobicContact CD1-CG2 3.47Å; I38-I200 VanDerWaalsContact CD1-CG2 3.47Å; I38-I200 HydrophobicContact CG1-CG2 4.04Å; I53-I200 HydrophobicContact CD1-CD1 3.76Å; I53-I200 HydrophobicContact CD1-CG2 4.31Å; I53-I200 HydrophobicContact CG2-CD1 4.49Å; I166-I200 HydrophobicContact CG2-CD1 3.84Å; I166-I200 HydrophobicContact CG2-CG1 4.32Å; I167-I200 PolarHBondContact O-N 3.11Å; V168-I200 CarbonylContact C-O 3.53Å; V168-I200 WeakPolarHBondContact CA-O 3.36Å; V168-I200 HydrophobicContact CG1-CB 4.4Å; V168-I200 HydrophobicContact CG1-CG2 4.43Å; V168-I200 HydrophobicContact CG2-CB 4.22Å; V168-I200 HydrophobicContact CG2-CD1 4.21Å; V169-I200 PolarHBondContact N-O 3.24Å
201L98.1Very high96.4Very high0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-97.8122.3-178.117369.9000110.7Y35 Y36 A37 I38 V169 P172 M185Y35-L201 HydrophobicContact CE1-CB 3.75Å; Y35-L201 HydrophobicContact CE1-CD2 3.99Å; Y36-L201 PolarHBondContact O-N 3.47Å; A37-L201 CarbonylContact C-O 3.56Å; A37-L201 VanDerWaalsContact CA-O 3.29Å; A37-L201 WeakPolarHBondContact CA-O 3.18Å; I38-L201 PolarHBondContact N-O 2.77Å; V169-L201 HydrophobicContact CG2-CB 4.13Å; V169-L201 HydrophobicContact CG2-CD1 3.65Å; P172-L201 VanDerWaalsContact CD-CD1 3.5Å; P172-L201 HydrophobicContact CG-CD1 3.77Å; M185-L201 HydrophobicContact CE-CD2 3.91Å
202I97Very high96.4Very high1 Ų135.7 Ų35.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-87.8121.9155.5-58179.3000107.3I38 K46 I50 V169 D170 E171I38-I202 HydrophobicContact CB-CG1 4.25Å; K46-I202 HydrophobicContact CB-CD1 3.95Å; K46-I202 HydrophobicContact CB-CG2 4.47Å; K46-I202 HydrophobicContact CD-CG2 4.08Å; I50-I202 HydrophobicContact CB-CD1 4.32Å; I50-I202 HydrophobicContact CD1-CD1 3.46Å; I50-I202 VanDerWaalsContact CD1-CD1 3.46Å; I50-I202 HydrophobicContact CG1-CD1 3.79Å; I50-I202 HydrophobicContact CG2-CD1 3.62Å; I50-I202 HydrophobicContact CG2-CG1 4Å; V169-I202 PolarHBondContact O-N 2.97Å; D170-I202 HydrophobicContact CB-CD1 4.47Å; D170-I202 WeakPolarHBondContact OD1-CB 3.19Å; D170-I202 WeakPolarHBondContact OD1-CG2 3.46Å; E171-I202 WeakPolarHBondContact CA-O 3.44Å; E171-I202 PolarHBondContact N-O 3.18Å
203S92.5Very high96.4Very high5 Ų535.3 Ų35.34%0.03518%0.178CC..  trans-145.5147.5174.9-175.20000110.9D205 E208S203-D205 PolarHBondContact OG-N 2.94Å; S203-E208 PolarHBondContact OG-OE2 2.95Å
204H89.2Confident96.4Very high128 Ų12834.2 Ų34.259%0.59317%0.169SC*.SBendtrans-97.2-3.7166.956.6-98.5000112.2E171E171-H204 IonicContact OE1-CE1 2.6Å; E171-H204 IonicContact OE1-CG 2.97Å; E171-H204 IonicContact OE1-ND1 3.88Å; E171-H204 PolarHBondContact OE1-ND1 3.47Å; E171-H204 IonicContact OE2-CE1 3.6Å; E171-H204 PolarHBondContact OE2-CE1 3.42Å; E171-H204 IonicContact OE2-ND1 3.65Å; E171-H204 PolarHBondContact OE2-ND1 2.95Å
205D93.3Very high96.4Very high30 Ų3029.5 Ų29.516%0.1614%0.143CC..  trans-92106.3177.8-171.3-23.3000111.1K181 S203 N207 E208 V209K181-D205 IonicContact NZ-OD2 2.67Å; K181-D205 PolarHBondContact NZ-OD2 3.33Å; S203-D205 PolarHBondContact OG-N 2.94Å; D205-N207 PolarHBondContact O-N 3.06Å; D205-N207 WeakPolarHBondContact OD1-CA 3.32Å; D205-N207 WeakPolarHBondContact OD1-CB 3.49Å; D205-N207 PolarHBondContact OD1-N 2.99Å; D205-N207 PolarHBondContact OD1-ND2 2.95Å; D205-N207 VanDerWaalsContact OD1-ND2 3.12Å; D205-E208 HydrophobicContact CB-CB 4.27Å; D205-E208 HydrophobicContact CB-CG 3.93Å; D205-E208 WeakPolarHBondContact O-CB 3.33Å; D205-E208 PolarHBondContact O-N 3.14Å; D205-E208 PolarHBondContact OD1-N 2.92Å; D205-V209 WeakPolarHBondContact O-CG2 3.39Å; D205-V209 PolarHBondContact O-N 3.45Å
206M95.4Very high96.5Very high15 Ų1526.9 Ų26.97%0.07413%0.131CC..Hα-helixtrans-72.3-18.1-178.3-63-58.9104.100113.2V39 V209 A210 F234 I245 G246 P248V39-M206 HydrophobicContact CB-CE 4.19Å; V39-M206 HydrophobicContact CG1-CE 3.68Å; V39-M206 HydrophobicContact CG1-SD 4.26Å; M206-V209 HydrophobicContact CE-CB 4.5Å; M206-V209 HydrophobicContact CE-CG2 3.8Å; M206-V209 PolarHBondContact O-N 2.81Å; M206-V209 HydrophobicContact SD-CB 4.37Å; M206-V209 HydrophobicContact SD-CG2 4.28Å; M206-A210 WeakPolarHBondContact O-CB 3.31Å; M206-A210 PolarHBondContact O-N 3.4Å; M206-F234 HydrophobicContact CB-CE1 4.35Å; M206-F234 HydrophobicContact CB-CZ 4.21Å; M206-F234 HydrophobicContact CG-CE1 4.49Å; M206-F234 HydrophobicContact SD-CE1 4.28Å; M206-F234 HydrophobicContact SD-CZ 4.25Å; M206-I245 HydrophobicContact CG-CG2 4.1Å; M206-I245 HydrophobicContact SD-CG2 3.61Å; M206-G246 WeakPolarHBondContact CG-O 3.35Å; M206-P248 HydrophobicContact CB-CG 3.98Å; M206-P248 WeakPolarHBondContact O-CG 3.46Å
207N95.3Very high96.5Very high52 Ų5222.6 Ų22.628%0.27811%0.108SC..Hα-helixtrans-69.4-38.9171.5-55.2-67.2000110.9D205 R211 E249D205-N207 PolarHBondContact O-N 3.06Å; D205-N207 WeakPolarHBondContact OD1-CA 3.32Å; D205-N207 WeakPolarHBondContact OD1-CB 3.49Å; D205-N207 PolarHBondContact OD1-N 2.99Å; D205-N207 PolarHBondContact OD1-ND2 2.95Å; D205-N207 VanDerWaalsContact OD1-ND2 3.12Å; N207-R211 VanDerWaalsContact O-CB 3.26Å; N207-R211 WeakPolarHBondContact O-CB 3.24Å; N207-R211 PolarHBondContact O-N 3.19Å; N207-E249 PolarHBondContact OD1-N 3.19Å
208E95Very high96.5Very high8 Ų822 Ų224%0.03711%0.105CC..Hα-helixtrans-64.6-46.5172.8-66.8-179.215600111T173 K181 M185 S203 D205 A210 R211 Y212T173-E208 WeakPolarHBondContact CB-OE1 3.49Å; T173-E208 WeakPolarHBondContact CG2-OE1 3.25Å; T173-E208 PolarHBondContact OG1-OE1 2.96Å; K181-E208 WeakPolarHBondContact CE-OE1 3.45Å; K181-E208 IonicContact NZ-OE1 3.51Å; M185-E208 HydrophobicContact CE-CB 4.07Å; M185-E208 HydrophobicContact CE-CG 4.31Å; S203-E208 PolarHBondContact OG-OE2 2.95Å; D205-E208 HydrophobicContact CB-CB 4.27Å; D205-E208 HydrophobicContact CB-CG 3.93Å; D205-E208 WeakPolarHBondContact O-CB 3.33Å; D205-E208 PolarHBondContact O-N 3.14Å; D205-E208 PolarHBondContact OD1-N 2.92Å; E208-A210 PolarHBondContact O-N 3.3Å; E208-R211 PolarHBondContact O-N 3.13Å; E208-Y212 HydrophobicContact CB-CD2 4.45Å; E208-Y212 VanDerWaalsContact O-CD2 3.29Å; E208-Y212 WeakPolarHBondContact O-CD2 3.46Å; E208-Y212 PolarHBondContact O-N 3.41Å
209V97Very high96.4Very high0 Ų022 Ų220%011%0.106CC..Hα-helixtrans-60.1-47.2179175.50000110.9A37 V39 D205 M206 R211 A213 V216 F234A37-V209 HydrophobicContact CB-CB 4.33Å; A37-V209 HydrophobicContact CB-CG1 3.77Å; A37-V209 HydrophobicContact CB-CG2 3.85Å; V39-V209 HydrophobicContact CG1-CG1 4.49Å; V39-V209 HydrophobicContact CG1-CG2 3.88Å; D205-V209 WeakPolarHBondContact O-CG2 3.39Å; D205-V209 PolarHBondContact O-N 3.45Å; M206-V209 HydrophobicContact CE-CB 4.5Å; M206-V209 HydrophobicContact CE-CG2 3.8Å; M206-V209 PolarHBondContact O-N 2.81Å; M206-V209 HydrophobicContact SD-CB 4.37Å; M206-V209 HydrophobicContact SD-CG2 4.28Å; V209-R211 VanDerWaalsContact C-N 3.33Å; V209-R211 PolarHBondContact O-N 3.16Å; V209-A213 HydrophobicContact CG1-CB 4.29Å; V209-A213 VanDerWaalsContact O-CB 3.24Å; V209-A213 WeakPolarHBondContact O-CB 3.46Å; V209-A213 PolarHBondContact O-N 3.36Å; V209-A213 VanDerWaalsContact O-N 3.15Å; V209-V216 HydrophobicContact CG1-CG1 4.13Å; V209-V216 HydrophobicContact CG1-CG2 3.54Å; V209-F234 HydrophobicContact CG1-CZ 4.32Å
210A97.1Very high96.3Very high4 Ų425.3 Ų25.33%0.03312%0.12CC..Hα-helixtrans-60.9-41.1178.200000112.6M206 E208 F234 P248 L270M206-A210 WeakPolarHBondContact O-CB 3.31Å; M206-A210 PolarHBondContact O-N 3.4Å; E208-A210 PolarHBondContact O-N 3.3Å; A210-F234 HydrophobicContact CB-CD2 4.44Å; A210-F234 HydrophobicContact CB-CE2 3.76Å; A210-P248 HydrophobicContact CB-CB 3.98Å; A210-P248 HydrophobicContact CB-CG 3.68Å; A210-L270 HydrophobicContact CB-CB 4.13Å; A210-L270 HydrophobicContact CB-CD2 4.14Å; A210-L270 WeakPolarHBondContact O-CB 3.17Å
211R96.5Very high96.2Very high90 Ų9032.4 Ų32.434%0.3415%0.153SC..Hα-helixtrans-78.9-36-173.9-174.9175.3-77.1-98.810.6113.7N207 E208 V209 T271 E272 E273N207-R211 VanDerWaalsContact O-CB 3.26Å; N207-R211 WeakPolarHBondContact O-CB 3.24Å; N207-R211 PolarHBondContact O-N 3.19Å; E208-R211 PolarHBondContact O-N 3.13Å; V209-R211 VanDerWaalsContact C-N 3.33Å; V209-R211 PolarHBondContact O-N 3.16Å; R211-T271 HydrophobicContact CB-CG2 4.34Å; R211-T271 HydrophobicContact CG-CG2 4.08Å; R211-E272 IonicContact CZ-OE2 3.83Å; R211-E272 IonicContact NH2-OE1 2.6Å; R211-E272 IonicContact NH2-OE2 3.59Å; R211-E272 PolarHBondContact NH2-OE2 3.2Å; R211-E273 IonicContact NH1-OE1 3.78Å; R211-E273 IonicContact NH1-OE2 3.52Å; R211-E273 IonicContact NH2-OE1 3.61Å; R211-E273 IonicContact NH2-OE2 3.38Å
212Y97.3Very high96.1Very high30 Ų3032.5 Ų32.512%0.11815%0.154CC..Hα-helixtrans-112.7-30.8-167.3-62-74.3000115M185 K189 E208M185-Y212 HydrophobicContact CB-CD2 4.16Å; M185-Y212 HydrophobicContact CB-CE1 4.15Å; M185-Y212 HydrophobicContact CB-CE2 3.55Å; M185-Y212 HydrophobicContact CE-CD2 3.42Å; M185-Y212 VanDerWaalsContact CE-CD2 3.42Å; M185-Y212 HydrophobicContact CE-CE2 3.9Å; M185-Y212 HydrophobicContact CE-CG 3.96Å; M185-Y212 HydrophobicContact CG-CE2 4.05Å; K189-Y212 HydrophobicContact CB-CD1 3.99Å; K189-Y212 HydrophobicContact CB-CE1 4.35Å; K189-Y212 HydrophobicContact CD-CD1 4.27Å; K189-Y212 HydrophobicContact CG-CD1 4.13Å; K189-Y212 PolarHBondContact NZ-O 3.01Å; E208-Y212 HydrophobicContact CB-CD2 4.45Å; E208-Y212 VanDerWaalsContact O-CD2 3.29Å; E208-Y212 WeakPolarHBondContact O-CD2 3.46Å; E208-Y212 PolarHBondContact O-N 3.41Å
213A98Very high96.1Very high10 Ų1034 Ų348%0.08316%0.164CC..  trans-77.2140.1-172.400000112.1Y35 A37 V209 V216 P230Y35-A213 HydrophobicContact CD1-CB 4.24Å; A37-A213 HydrophobicContact CB-CB 3.79Å; V209-A213 HydrophobicContact CG1-CB 4.29Å; V209-A213 VanDerWaalsContact O-CB 3.24Å; V209-A213 WeakPolarHBondContact O-CB 3.46Å; V209-A213 PolarHBondContact O-N 3.36Å; V209-A213 VanDerWaalsContact O-N 3.15Å; A213-V216 HydrophobicContact CB-CG2 4.4Å; A213-P230 HydrophobicContact CB-CG 4.18Å; A213-P230 WeakPolarHBondContact O-CG 3.18Å
214D98Very high96.3Very high61 Ų6135.6 Ų35.633%0.32617%0.172SC..SBendtrans-88.1-32.7169.3-54.3-47.8000110K34 Y35 K189 Q192 P230K34-D214 HydrophobicContact CG-CB 3.79Å; Y35-D214 WeakPolarHBondContact CB-OD2 3.37Å; Y35-D214 PolarHBondContact N-OD2 3.07Å; Y35-D214 PolarHBondContact O-N 3.19Å; K189-D214 IonicContact NZ-OD1 3.69Å; Q192-D214 PolarHBondContact NE2-OD2 3.16Å; D214-P230 WeakPolarHBondContact O-CD 3.46Å
215E98.2Very high96.7Very high27 Ų2732.4 Ų32.413%0.12616%0.161CC..EExtended strand (participates in β ladder)trans-143143.6-179.2-172169.9172.400111.8K34 Y35 Y36 A37 Q227K34-E215 WeakPolarHBondContact CE-OE2 3.3Å; K34-E215 IonicContact NZ-OE2 2.57Å; K34-E215 PolarHBondContact NZ-OE2 3.25Å; Y35-E215 PolarHBondContact O-N 3.33Å; Y36-E215 CarbonylContact C-O 3.54Å; Y36-E215 WeakPolarHBondContact CA-O 3.37Å; Y36-E215 HydrophobicContact CD1-CB 3.96Å; Y36-E215 HydrophobicContact CD1-CG 4.24Å; Y36-E215 HydrophobicContact CE1-CB 4.12Å; Y36-E215 HydrophobicContact CE1-CG 4.26Å; Y36-E215 WeakPolarHBondContact CE1-OE2 3.22Å; A37-E215 PolarHBondContact N-O 2.96Å; E215-Q227 HydrophobicContact CG-CG 4.27Å; E215-Q227 VanDerWaalsContact OE1-CD 3.26Å; E215-Q227 WeakPolarHBondContact OE1-CG 3.32Å; E215-Q227 PolarHBondContact OE1-NE2 3.4Å
216V98.2Very high96.9Very high0 Ų032.3 Ų32.30%016%0.163CC..EExtended strand (participates in β ladder)trans-122.4124.1-177.3-168.80000109.8A37 V39 V209 A213 Q227 T228 P230 L233A37-V216 HydrophobicContact CB-CG1 4.33Å; A37-V216 HydrophobicContact CB-CG2 4.41Å; A37-V216 CarbonylContact O-C 3.47Å; A37-V216 WeakPolarHBondContact O-CA 3.37Å; V39-V216 HydrophobicContact CB-CG1 4.42Å; V39-V216 HydrophobicContact CG1-CG1 3.94Å; V39-V216 HydrophobicContact CG2-CG1 3.57Å; V209-V216 HydrophobicContact CG1-CG1 4.13Å; V209-V216 HydrophobicContact CG1-CG2 3.54Å; A213-V216 HydrophobicContact CB-CG2 4.4Å; V216-Q227 WeakPolarHBondContact O-CA 3.42Å; V216-T228 PolarHBondContact N-O 3.15Å; V216-T228 PolarHBondContact O-N 2.85Å; V216-P230 HydrophobicContact CG2-CB 4.16Å; V216-P230 HydrophobicContact CG2-CG 3.74Å; V216-L233 HydrophobicContact CB-CD2 3.8Å; V216-L233 HydrophobicContact CG1-CD2 3.51Å; V216-L233 HydrophobicContact CG2-CD2 4.08Å
217I98Very high97Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-101.7118.1173.9-62.7166.4000107.9F30 Y36 A37 I38 V39 I224 Q227F30-I217 HydrophobicContact CD1-CD1 4.43Å; F30-I217 HydrophobicContact CE1-CD1 3.48Å; F30-I217 VanDerWaalsContact CE1-CD1 3.48Å; F30-I217 HydrophobicContact CZ-CD1 3.72Å; Y36-I217 HydrophobicContact CD1-CD1 4.23Å; A37-I217 PolarHBondContact O-N 3.09Å; I38-I217 WeakPolarHBondContact CA-O 3.34Å; I38-I217 HydrophobicContact CG1-CB 4.34Å; I38-I217 HydrophobicContact CG1-CD1 4.44Å; V39-I217 PolarHBondContact N-O 3.32Å; I217-I224 HydrophobicContact CG2-CB 4.49Å; I217-I224 HydrophobicContact CG2-CD1 3.67Å; I217-I224 HydrophobicContact CG2-CG1 3.78Å; I217-I224 HydrophobicContact CG2-CG2 3.97Å; I217-Q227 HydrophobicContact CG1-CB 4.45Å; I217-Q227 HydrophobicContact CG1-CG 3.97Å
218V97.3Very high97.1Very high0 Ų034.2 Ų34.20%017%0.173CC..EExtended strand (participates in β ladder)trans-96.8118178.5-175.30000109.8V39 I224 V225 S226 L233 W243 I245V39-V218 HydrophobicContact CG2-CB 4.34Å; V39-V218 HydrophobicContact CG2-CG1 4.48Å; V39-V218 HydrophobicContact CG2-CG2 3.82Å; V218-I224 WeakPolarHBondContact O-CA 3.35Å; V218-V225 HydrophobicContact CB-CG2 3.93Å; V218-V225 HydrophobicContact CG1-CG2 3.56Å; V218-V225 WeakPolarHBondContact O-CG2 3.27Å; V218-V225 PolarHBondContact O-N 3.12Å; V218-S226 PolarHBondContact N-O 2.87Å; V218-L233 HydrophobicContact CG2-CD1 3.79Å; V218-L233 HydrophobicContact CG2-CD2 4.36Å; V218-W243 HydrophobicContact CB-CE3 4.42Å; V218-W243 HydrophobicContact CG1-CB 4.41Å; V218-W243 HydrophobicContact CG1-CD2 3.98Å; V218-W243 HydrophobicContact CG1-CE3 3.81Å; V218-W243 HydrophobicContact CG1-CG 4.27Å; V218-W243 HydrophobicContact CG1-CZ3 4.4Å; V218-W243 HydrophobicContact CG2-CE3 4.23Å; V218-W243 HydrophobicContact CG2-CZ3 4.16Å; V218-I245 HydrophobicContact CB-CD1 4.49Å; V218-I245 HydrophobicContact CG1-CD1 3.49Å; V218-I245 VanDerWaalsContact CG1-CD1 3.49Å; V218-I245 HydrophobicContact CG2-CD1 4.23Å
219M96.8Very high97.2Very high2 Ų235.9 Ų35.91%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-100.2128.1176-75.9-143.170.100112I23 I38 V39 G40 S44 K46 L49 S223I23-M219 HydrophobicContact CG2-CE 3.89Å; I38-M219 HydrophobicContact CG2-CG 4Å; I38-M219 HydrophobicContact CG2-SD 4.42Å; V39-M219 PolarHBondContact O-N 2.79Å; G40-M219 WeakPolarHBondContact CA-O 3.39Å; S44-M219 VanDerWaalsContact CB-O 3.25Å; S44-M219 WeakPolarHBondContact CB-O 3.49Å; S44-M219 WeakPolarHBondContact O-CE 3.46Å; S44-M219 WeakPolarHBondContact OG-CB 3.38Å; S44-M219 PolarHBondContact OG-O 3.33Å; K46-M219 HydrophobicContact CB-SD 4.5Å; K46-M219 HydrophobicContact CG-CB 3.99Å; K46-M219 HydrophobicContact CG-CG 4.29Å; K46-M219 HydrophobicContact CG-SD 4.2Å; L49-M219 HydrophobicContact CB-SD 3.97Å; L49-M219 HydrophobicContact CD2-CG 4.37Å; L49-M219 HydrophobicContact CD2-SD 3.58Å; L49-M219 VanDerWaalsContact CD2-SD 3.58Å; L49-M219 HydrophobicContact CG-SD 4.41Å; M219-S223 WeakPolarHBondContact CA-O 3.07Å
220K95.8Very high97.2Very high68 Ų6836.1 Ų36.130%0.29619%0.187SC..EExtended strand (participates in β ladder)trans-136.3127.2172.5-177.7170.9178.31730109.7G222 S223 V225 D242K220-G222 PolarHBondContact O-N 3.28Å; K220-S223 PolarHBondContact N-O 3.35Å; K220-S223 PolarHBondContact O-N 2.89Å; K220-V225 HydrophobicContact CB-CG1 3.78Å; K220-V225 HydrophobicContact CB-CG2 3.97Å; K220-D242 PolarHBondContact NZ-O 3.09Å
221E95.3Very high97.1Very high150 Ų15039.8 Ų39.870%0.70120%0.202SC*.THydrogen-bonded Turntrans50.534.8173.1-65167.8-152.100114.3H24H24-E221 PolarHBondContact CD2-O 3.08Å; H24-E221 PolarHBondContact NE2-O 2.92Å
222G96.8Very high97.1Very high1 Ų140 Ų401%0.0121%0.207CC..THydrogen-bonded Turntrans90.50.4179.200000115.8A22 I23 H24 S44 K220A22-G222 WeakPolarHBondContact O-CA 3.23Å; I23-G222 CarbonylContact C-O 3.58Å; I23-G222 WeakPolarHBondContact CA-O 3.3Å; H24-G222 VanDerWaalsContact CD2-C 3.49Å; H24-G222 PolarHBondContact N-O 3.25Å; S44-G222 VanDerWaalsContact O-CA 3.3Å; S44-G222 WeakPolarHBondContact O-CA 3.36Å; S44-G222 PolarHBondContact O-N 3.1Å; K220-G222 PolarHBondContact O-N 3.28Å
223S97.3Very high97Very high32 Ų3239 Ų3922%0.22420%0.203CC..EExtended strand (participates in β ladder)trans-119.4157179.2-113.30000112.3H24 M219 K220H24-S223 WeakPolarHBondContact CE1-CB 3.47Å; H24-S223 PolarHBondContact CE1-OG 3.46Å; H24-S223 PolarHBondContact ND1-OG 2.96Å; H24-S223 PolarHBondContact O-OG 3.09Å; M219-S223 WeakPolarHBondContact CA-O 3.07Å; K220-S223 PolarHBondContact N-O 3.35Å; K220-S223 PolarHBondContact O-N 2.89Å
224I97.4Very high96.9Very high39 Ų3938.5 Ų38.520%0.220%0.199CC..EExtended strand (participates in β ladder)trans-85.7116.2167.8-64.7178.3000108.2V26 T28 I217 V218 S226 Q227V26-I224 HydrophobicContact CG1-CD1 3.58Å; V26-I224 HydrophobicContact CG1-CG1 4.1Å; T28-I224 HydrophobicContact CG2-CD1 3.94Å; I217-I224 HydrophobicContact CG2-CB 4.49Å; I217-I224 HydrophobicContact CG2-CD1 3.67Å; I217-I224 HydrophobicContact CG2-CG1 3.78Å; I217-I224 HydrophobicContact CG2-CG2 3.97Å; V218-I224 WeakPolarHBondContact O-CA 3.35Å; I224-S226 WeakPolarHBondContact CG2-O 3.44Å; I224-Q227 HydrophobicContact CG2-CB 4.33Å
225V96.6Very high96.7Very high61 Ų6140.2 Ų40.237%0.3720%0.204SC..EExtended strand (participates in β ladder)trans-99.8-14.5179.9-65.60000113.3V218 K220 W243V218-V225 HydrophobicContact CB-CG2 3.93Å; V218-V225 HydrophobicContact CG1-CG2 3.56Å; V218-V225 WeakPolarHBondContact O-CG2 3.27Å; V218-V225 PolarHBondContact O-N 3.12Å; K220-V225 HydrophobicContact CB-CG1 3.78Å; K220-V225 HydrophobicContact CB-CG2 3.97Å; V225-W243 HydrophobicContact CB-CZ2 4.3Å; V225-W243 HydrophobicContact CG2-CD2 4.08Å; V225-W243 HydrophobicContact CG2-CG 4.35Å; V225-W243 HydrophobicContact CG2-CZ2 4Å
226S96.9Very high96.3Very high28 Ų2841.7 Ų41.720%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-159.1145.7174.7-172.40000110.2V218 I224V218-S226 PolarHBondContact N-O 2.87Å; I224-S226 WeakPolarHBondContact CG2-O 3.44Å
227Q97.5Very high95.9Very high67 Ų6746.3 Ų46.331%0.31323%0.233SC..EExtended strand (participates in β ladder)trans-144.2103.8172.7175.5161.8-2.800107.4T28 E215 V216 I217 I224T28-Q227 PolarHBondContact OG1-NE2 3.48Å; T28-Q227 PolarHBondContact OG1-OE1 3.34Å; E215-Q227 HydrophobicContact CG-CG 4.27Å; E215-Q227 VanDerWaalsContact OE1-CD 3.26Å; E215-Q227 WeakPolarHBondContact OE1-CG 3.32Å; E215-Q227 PolarHBondContact OE1-NE2 3.4Å; V216-Q227 WeakPolarHBondContact O-CA 3.42Å; I217-Q227 HydrophobicContact CG1-CB 4.45Å; I217-Q227 HydrophobicContact CG1-CG 3.97Å; I224-Q227 HydrophobicContact CG2-CB 4.33Å
228T97.4Very high95.5Very high40 Ų4053.8 Ų53.825%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-159.7171.8-169.7-1670000112.5V216 E232 L233V216-T228 PolarHBondContact N-O 3.15Å; V216-T228 PolarHBondContact O-N 2.85Å; T228-E232 HydrophobicContact CG2-CB 4.18Å; T228-E232 VanDerWaalsContact OG1-CB 3.23Å; T228-E232 WeakPolarHBondContact OG1-CB 3.47Å; T228-L233 HydrophobicContact CG2-CB 3.89Å
229S97.3Very high95.3Very high43 Ų4358.9 Ų58.930%0.30129%0.288SS..  trans-67.4154.4175.373.90000112K231 E232 L233S229-K231 PolarHBondContact O-N 2.95Å; S229-E232 PolarHBondContact O-N 3.24Å; S229-E232 VanDerWaalsContact O-N 3.17Å; S229-E232 PolarHBondContact OG-N 2.98Å; S229-L233 WeakPolarHBondContact O-CB 3.4Å; S229-L233 PolarHBondContact O-N 3.46Å
230P97.2Very high95.1Very high5 Ų558.9 Ų58.93%0.03229%0.288CS..Hα-helixtrans-57.3-36.2176-20.227.4000113.1A213 D214 V216 L233 F234 L270A213-P230 HydrophobicContact CB-CG 4.18Å; A213-P230 WeakPolarHBondContact O-CG 3.18Å; D214-P230 WeakPolarHBondContact O-CD 3.46Å; V216-P230 HydrophobicContact CG2-CB 4.16Å; V216-P230 HydrophobicContact CG2-CG 3.74Å; P230-L233 PolarHBondContact O-N 2.79Å; P230-F234 HydrophobicContact CB-CD2 4.15Å; P230-F234 HydrophobicContact CB-CE2 3.87Å; P230-F234 WeakPolarHBondContact O-CD2 3.44Å; P230-F234 WeakPolarHBondContact O-CG 3.48Å; P230-F234 PolarHBondContact O-N 3.43Å; P230-L270 HydrophobicContact CB-CD1 3.86Å; P230-L270 HydrophobicContact CB-CD2 4.26Å
231K95.8Very high94.9Very high82 Ų8258.7 Ų58.736%0.35730%0.298SS..Hα-helixtrans-59.7-48.6176.4-71.4-166.1175.6-174.60111.9S229 K235 D267 L270S229-K231 PolarHBondContact O-N 2.95Å; K231-K235 WeakPolarHBondContact O-CG 3.5Å; K231-K235 PolarHBondContact O-N 3.32Å; K231-D267 IonicContact NZ-OD2 2.68Å; K231-D267 PolarHBondContact NZ-OD2 2.92Å; K231-L270 HydrophobicContact CG-CD1 3.56Å; K231-L270 HydrophobicContact CG-CD2 4.38Å; K231-L270 HydrophobicContact CG-CG 3.97Å
232E96.1Very high94.8Very high94 Ų9455.8 Ų55.844%0.43929%0.288SS..Hα-helixtrans-68.5-37.6178.8-70.7-52.1128.200112T228 S229 F234 K235T228-E232 HydrophobicContact CG2-CB 4.18Å; T228-E232 VanDerWaalsContact OG1-CB 3.23Å; T228-E232 WeakPolarHBondContact OG1-CB 3.47Å; S229-E232 PolarHBondContact O-N 3.24Å; S229-E232 VanDerWaalsContact O-N 3.17Å; S229-E232 PolarHBondContact OG-N 2.98Å; E232-F234 PolarHBondContact O-N 3.48Å; E232-K235 PolarHBondContact O-N 3.38Å; E232-K235 IonicContact OE1-NZ 3.02Å; E232-K235 PolarHBondContact OE1-NZ 2.9Å; E232-K235 IonicContact OE2-NZ 3.69Å
233L96.2Very high94.7Very high8 Ų857.4 Ų57.44%0.04229%0.294CS..Hα-helixtrans-60.5-47.3177.1-18063.4000111.6V216 V218 T228 S229 P230 K235 L240 W243V216-L233 HydrophobicContact CB-CD2 3.8Å; V216-L233 HydrophobicContact CG1-CD2 3.51Å; V216-L233 HydrophobicContact CG2-CD2 4.08Å; V218-L233 HydrophobicContact CG2-CD1 3.79Å; V218-L233 HydrophobicContact CG2-CD2 4.36Å; T228-L233 HydrophobicContact CG2-CB 3.89Å; S229-L233 WeakPolarHBondContact O-CB 3.4Å; S229-L233 PolarHBondContact O-N 3.46Å; P230-L233 PolarHBondContact O-N 2.79Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 3.33Å; L233-L240 HydrophobicContact CD1-CD2 3.79Å; L233-L240 HydrophobicContact CG-CD2 3.94Å; L233-W243 HydrophobicContact CD1-CE3 4.46Å; L233-W243 HydrophobicContact CD1-CZ3 3.84Å
234F95.9Very high94.4Very high0 Ų062.4 Ų62.40%031%0.313CS..Hα-helixtrans-80.1-3.9-174-60.9-50.5000114.9M206 V209 A210 P230 E232 L240 L247 P248 V251 Y255 I268 L270M206-F234 HydrophobicContact CB-CE1 4.35Å; M206-F234 HydrophobicContact CB-CZ 4.21Å; M206-F234 HydrophobicContact CG-CE1 4.49Å; M206-F234 HydrophobicContact SD-CE1 4.28Å; M206-F234 HydrophobicContact SD-CZ 4.25Å; V209-F234 HydrophobicContact CG1-CZ 4.32Å; A210-F234 HydrophobicContact CB-CD2 4.44Å; A210-F234 HydrophobicContact CB-CE2 3.76Å; P230-F234 HydrophobicContact CB-CD2 4.15Å; P230-F234 HydrophobicContact CB-CE2 3.87Å; P230-F234 WeakPolarHBondContact O-CD2 3.44Å; P230-F234 WeakPolarHBondContact O-CG 3.48Å; P230-F234 PolarHBondContact O-N 3.43Å; E232-F234 PolarHBondContact O-N 3.48Å; F234-L240 HydrophobicContact CD1-CD1 3.83Å; F234-L247 HydrophobicContact CB-CD2 4.42Å; F234-L247 HydrophobicContact CD1-CD2 4.09Å; F234-P248 HydrophobicContact CD1-CG 4.07Å; F234-P248 HydrophobicContact CD2-CG 3.81Å; F234-P248 VanDerWaalsContact CE1-CD 3.5Å; F234-P248 HydrophobicContact CE1-CG 3.81Å; F234-P248 HydrophobicContact CE2-CG 3.51Å; F234-P248 HydrophobicContact CG-CG 4.11Å; F234-P248 HydrophobicContact CZ-CG 3.52Å; F234-V251 HydrophobicContact CB-CG1 4.23Å; F234-V251 HydrophobicContact CB-CG2 4.36Å; F234-Y255 PolarHBondContact O-OH 2.61Å; F234-I268 HydrophobicContact CB-CG2 4.49Å; F234-I268 WeakPolarHBondContact O-CD1 3.25Å; F234-L270 HydrophobicContact CD2-CD2 3.66Å; F234-L270 HydrophobicContact CE2-CD2 4.27Å
235K92.6Very high94.2Very high98 Ų9861.4 Ų61.443%0.42631%0.308SS..Hα-helixtrans-70.8-31.2171.7-78.5173.4-173.61750113.9K231 E232 L233 Y255 I268K231-K235 WeakPolarHBondContact O-CG 3.5Å; K231-K235 PolarHBondContact O-N 3.32Å; E232-K235 PolarHBondContact O-N 3.38Å; E232-K235 IonicContact OE1-NZ 3.02Å; E232-K235 PolarHBondContact OE1-NZ 2.9Å; E232-K235 IonicContact OE2-NZ 3.69Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 3.33Å; K235-Y255 PolarHBondContact O-OH 3.2Å; K235-I268 VanDerWaalsContact CA-CD1 3.46Å; K235-I268 HydrophobicContact CB-CD1 4.01Å; K235-I268 HydrophobicContact CG-CD1 3.37Å; K235-I268 HydrophobicContact CG-CG1 4.05Å
236D89.9Confident94.1Very high57 Ų5760.6 Ų60.631%0.30531%0.312SS..  trans-105.581.5-173.8-165.9-22.8000111.4K238 K239 L240D236-K238 PolarHBondContact O-N 2.89Å; D236-K238 VanDerWaalsContact O-N 3.13Å; D236-K238 PolarHBondContact OD1-N 3.22Å; D236-K239 HydrophobicContact CB-CB 4.25Å; D236-K239 HydrophobicContact CB-CD 4.28Å; D236-K239 HydrophobicContact CB-CG 4.41Å; D236-K239 PolarHBondContact O-N 3.16Å; D236-K239 PolarHBondContact OD1-N 3.17Å; D236-K239 VanDerWaalsContact OD1-N 3.07Å; D236-K239 WeakPolarHBondContact OD2-CD 3.25Å; D236-K239 WeakPolarHBondContact OD2-CE 3.41Å; D236-K239 VanDerWaalsContact OD2-CG 3.27Å; D236-K239 WeakPolarHBondContact OD2-CG 3.5Å; D236-K239 IonicContact OD2-NZ 2.7Å; D236-L240 PolarHBondContact O-N 3.27Å
237K89.1Confident93.9Very high98 Ų9861 Ų6143%0.42631%0.312SS..Hα-helixtrans-56.8-29.1178.9-172.2168.8-175.4164.90112.7A241 L247K237-A241 PolarHBondContact O-N 3.08Å; K237-A241 VanDerWaalsContact O-N 3.12Å; K237-L247 HydrophobicContact CD-CD1 3.87Å; K237-L247 HydrophobicContact CG-CD1 4.03Å
238K90.3Very high93.9Very high157 Ų15757.8 Ų57.868%0.68330%0.297SS*.Hα-helixtrans-71.1-48.3-178.8-169.8179178.1-177.30110.9D236 L240 A241 D242D236-K238 PolarHBondContact O-N 2.89Å; D236-K238 VanDerWaalsContact O-N 3.13Å; D236-K238 PolarHBondContact OD1-N 3.22Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.36Å; K238-A241 WeakPolarHBondContact O-CB 3.49Å; K238-A241 PolarHBondContact O-N 3.44Å; K238-D242 PolarHBondContact O-N 3.08Å
239K92.7Very high93.8Very high107 Ų10762.8 Ų62.847%0.46532%0.317SS..Hα-helixtrans-60.4-41.2175.5-76.2-178.4-171.3168.60112.5D236 A241 D242 W243D236-K239 HydrophobicContact CB-CB 4.25Å; D236-K239 HydrophobicContact CB-CD 4.28Å; D236-K239 HydrophobicContact CB-CG 4.41Å; D236-K239 PolarHBondContact O-N 3.16Å; D236-K239 PolarHBondContact OD1-N 3.17Å; D236-K239 VanDerWaalsContact OD1-N 3.07Å; D236-K239 WeakPolarHBondContact OD2-CD 3.25Å; D236-K239 WeakPolarHBondContact OD2-CE 3.41Å; D236-K239 VanDerWaalsContact OD2-CG 3.27Å; D236-K239 WeakPolarHBondContact OD2-CG 3.5Å; D236-K239 IonicContact OD2-NZ 2.7Å; K239-A241 VanDerWaalsContact C-N 3.32Å; K239-A241 PolarHBondContact O-N 3Å; K239-D242 PolarHBondContact O-N 2.81Å; K239-W243 HydrophobicContact CB-CD2 4.44Å; K239-W243 HydrophobicContact CB-CE3 4.22Å; K239-W243 HydrophobicContact CB-CH2 3.88Å; K239-W243 HydrophobicContact CB-CZ2 4.09Å; K239-W243 HydrophobicContact CB-CZ3 3.94Å; K239-W243 HydrophobicContact CD-CH2 3.81Å; K239-W243 HydrophobicContact CD-CZ2 4.09Å; K239-W243 HydrophobicContact CG-CH2 4.29Å; K239-W243 HydrophobicContact CG-CZ2 4.3Å; K239-W243 VanDerWaalsContact O-CD2 3.27Å; K239-W243 VanDerWaalsContact O-CG 3.24Å; K239-W243 PolarHBondContact O-N 2.57Å
240L93.3Very high93.8Very high2 Ų261.5 Ų61.51%0.0131%0.307CS..Hα-helixtrans-60.3-42.9177.2-69.8173.2000112.1L233 F234 D236 K238 W243 H244 I245 L247L233-L240 HydrophobicContact CD1-CD2 3.79Å; L233-L240 HydrophobicContact CG-CD2 3.94Å; F234-L240 HydrophobicContact CD1-CD1 3.83Å; D236-L240 PolarHBondContact O-N 3.27Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.36Å; L240-W243 HydrophobicContact CD2-CE3 4.46Å; L240-W243 CarbonylContact O-C 3.52Å; L240-W243 PolarHBondContact O-N 3.11Å; L240-H244 PolarHBondContact O-N 2.84Å; L240-I245 HydrophobicContact CD2-CB 3.91Å; L240-I245 HydrophobicContact CD2-CG2 3.78Å; L240-I245 PolarHBondContact O-N 3.04Å; L240-L247 HydrophobicContact CD1-CD2 3.49Å; L240-L247 VanDerWaalsContact CD1-CD2 3.49Å; L240-L247 HydrophobicContact CD1-CG 4.36Å
241A91.7Very high93.7Very high63 Ų6361.3 Ų61.352%0.52131%0.306SS..Hα-helixtrans-61.3-44.4173.800000111.8K237 K238 K239 W243 H244K237-A241 PolarHBondContact O-N 3.08Å; K237-A241 VanDerWaalsContact O-N 3.12Å; K238-A241 WeakPolarHBondContact O-CB 3.49Å; K238-A241 PolarHBondContact O-N 3.44Å; K239-A241 VanDerWaalsContact C-N 3.32Å; K239-A241 PolarHBondContact O-N 3Å; A241-W243 PolarHBondContact O-N 3.28Å; A241-H244 PolarHBondContact O-N 3.06Å
242D92.9Very high93.7Very high89 Ų8960 Ų6048%0.47630%0.301SS..Hα-helixtrans-63.7-25.3177.7-66.5-21.2000113.1K220 K238 K239K220-D242 PolarHBondContact NZ-O 3.09Å; K238-D242 PolarHBondContact O-N 3.08Å; K239-D242 PolarHBondContact O-N 2.81Å
243W93.7Very high93.7Very high36 Ų3659.6 Ų59.614%0.13630%0.301CS..THydrogen-bonded Turntrans-95.3-1.4174.9-57.7-24.8000113.3V218 V225 L233 K239 L240 A241 I245V218-W243 HydrophobicContact CB-CE3 4.42Å; V218-W243 HydrophobicContact CG1-CB 4.41Å; V218-W243 HydrophobicContact CG1-CD2 3.98Å; V218-W243 HydrophobicContact CG1-CE3 3.81Å; V218-W243 HydrophobicContact CG1-CG 4.27Å; V218-W243 HydrophobicContact CG1-CZ3 4.4Å; V218-W243 HydrophobicContact CG2-CE3 4.23Å; V218-W243 HydrophobicContact CG2-CZ3 4.16Å; V225-W243 HydrophobicContact CB-CZ2 4.3Å; V225-W243 HydrophobicContact CG2-CD2 4.08Å; V225-W243 HydrophobicContact CG2-CG 4.35Å; V225-W243 HydrophobicContact CG2-CZ2 4Å; L233-W243 HydrophobicContact CD1-CE3 4.46Å; L233-W243 HydrophobicContact CD1-CZ3 3.84Å; K239-W243 HydrophobicContact CB-CD2 4.44Å; K239-W243 HydrophobicContact CB-CE3 4.22Å; K239-W243 HydrophobicContact CB-CH2 3.88Å; K239-W243 HydrophobicContact CB-CZ2 4.09Å; K239-W243 HydrophobicContact CB-CZ3 3.94Å; K239-W243 HydrophobicContact CD-CH2 3.81Å; K239-W243 HydrophobicContact CD-CZ2 4.09Å; K239-W243 HydrophobicContact CG-CH2 4.29Å; K239-W243 HydrophobicContact CG-CZ2 4.3Å; K239-W243 VanDerWaalsContact O-CD2 3.27Å; K239-W243 VanDerWaalsContact O-CG 3.24Å; K239-W243 PolarHBondContact O-N 2.57Å; L240-W243 HydrophobicContact CD2-CE3 4.46Å; L240-W243 CarbonylContact O-C 3.52Å; L240-W243 PolarHBondContact O-N 3.11Å; A241-W243 PolarHBondContact O-N 3.28Å; W243-I245 VanDerWaalsContact C-N 3.25Å; W243-I245 HydrophobicContact CB-CD1 3.87Å; W243-I245 HydrophobicContact CB-CG1 4.08Å; W243-I245 HydrophobicContact CE3-CD1 4.39Å; W243-I245 PolarHBondContact O-N 3Å
244H92.7Very high93.8Very high137 Ų13759.3 Ų59.363%0.63430%0.3SS*.THydrogen-bonded Turntrans53.143-175.2-52.967.9000112.6Q41 L240 A241Q41-H244 HydrophobicContact CG-CB 4.03Å; Q41-H244 PolarHBondContact NE2-CD2 3.09Å; Q41-H244 VanDerWaalsContact NE2-CD2 3.32Å; Q41-H244 PolarHBondContact NE2-ND1 3.26Å; L240-H244 PolarHBondContact O-N 2.84Å; A241-H244 PolarHBondContact O-N 3.06Å
245I93.3Very high93.7Very high17 Ų1761.4 Ų61.49%0.08731%0.308CS..PPolyproline II helixtrans-103.6127.9175.1-64.9171.6000107.5V39 M206 V218 L240 W243V39-I245 HydrophobicContact CG2-CD1 3.82Å; M206-I245 HydrophobicContact CG-CG2 4.1Å; M206-I245 HydrophobicContact SD-CG2 3.61Å; V218-I245 HydrophobicContact CB-CD1 4.49Å; V218-I245 HydrophobicContact CG1-CD1 3.49Å; V218-I245 VanDerWaalsContact CG1-CD1 3.49Å; V218-I245 HydrophobicContact CG2-CD1 4.23Å; L240-I245 HydrophobicContact CD2-CB 3.91Å; L240-I245 HydrophobicContact CD2-CG2 3.78Å; L240-I245 PolarHBondContact O-N 3.04Å; W243-I245 VanDerWaalsContact C-N 3.25Å; W243-I245 HydrophobicContact CB-CD1 3.87Å; W243-I245 HydrophobicContact CB-CG1 4.08Å; W243-I245 HydrophobicContact CE3-CD1 4.39Å; W243-I245 PolarHBondContact O-N 3Å
246G92.8Very high93.8Very high45 Ų4560.3 Ų60.346%0.46431%0.307SS..PPolyproline II helixtrans-67.3168175.800000112.4M206M206-G246 WeakPolarHBondContact CG-O 3.35Å
247L94.3Very high94.1Very high35 Ų3558.5 Ų58.518%0.18330%0.296CS..PPolyproline II helixtrans-93.9147.1167.6-76.2168.3000109.7F234 K237 L240 V251 Q252 Y255F234-L247 HydrophobicContact CB-CD2 4.42Å; F234-L247 HydrophobicContact CD1-CD2 4.09Å; K237-L247 HydrophobicContact CD-CD1 3.87Å; K237-L247 HydrophobicContact CG-CD1 4.03Å; L240-L247 HydrophobicContact CD1-CD2 3.49Å; L240-L247 VanDerWaalsContact CD1-CD2 3.49Å; L240-L247 HydrophobicContact CD1-CG 4.36Å; L247-V251 HydrophobicContact CD2-CG1 3.99Å; L247-Q252 HydrophobicContact CB-CB 4.29Å; L247-Y255 HydrophobicContact CD1-CD2 3.89Å; L247-Y255 HydrophobicContact CD1-CE2 3.95Å; L247-Y255 HydrophobicContact CD2-CE2 4.26Å
248P96.3Very high94.4Very high0 Ų054.9 Ų54.90%028%0.281CS..PPolyproline II helixtrans-56.1144.1162.8-15.426.6000109.5M206 A210 F234 I250 V251 Q252M206-P248 HydrophobicContact CB-CG 3.98Å; M206-P248 WeakPolarHBondContact O-CG 3.46Å; A210-P248 HydrophobicContact CB-CB 3.98Å; A210-P248 HydrophobicContact CB-CG 3.68Å; F234-P248 HydrophobicContact CD1-CG 4.07Å; F234-P248 HydrophobicContact CD2-CG 3.81Å; F234-P248 VanDerWaalsContact CE1-CD 3.5Å; F234-P248 HydrophobicContact CE1-CG 3.81Å; F234-P248 HydrophobicContact CE2-CG 3.51Å; F234-P248 HydrophobicContact CG-CG 4.11Å; F234-P248 HydrophobicContact CZ-CG 3.52Å; P248-I250 HydrophobicContact CB-CG2 4.44Å; P248-I250 PolarHBondContact O-N 3.26Å; P248-V251 HydrophobicContact CB-CB 4.35Å; P248-V251 HydrophobicContact CB-CG2 3.94Å; P248-V251 HydrophobicContact CG-CB 4.33Å; P248-V251 HydrophobicContact CG-CG2 3.77Å; P248-V251 PolarHBondContact O-N 3.18Å; P248-Q252 PolarHBondContact O-N 3.27Å
249E96.3Very high94.6Very high145 Ų14554.7 Ų54.768%0.67828%0.283SS*.Hα-helixtrans-57.4-40.5-175.6-68.6172-166.300111.3N207 V251 Q252 L253N207-E249 PolarHBondContact OD1-N 3.19Å; E249-V251 PolarHBondContact O-N 3.05Å; E249-Q252 PolarHBondContact O-N 2.87Å; E249-L253 WeakPolarHBondContact O-CB 3.29Å; E249-L253 PolarHBondContact O-N 3.38Å
250I96.4Very high94.8Very high17 Ų1757 Ų579%0.08729%0.292CS..Hα-helixtrans-69-33.9-179.8-164.958.5000113.2P248 L253 Q254 E272 F275P248-I250 HydrophobicContact CB-CG2 4.44Å; P248-I250 PolarHBondContact O-N 3.26Å; I250-L253 HydrophobicContact CD1-CD2 3.99Å; I250-L253 PolarHBondContact O-N 3.47Å; I250-Q254 PolarHBondContact O-N 3.06Å; I250-E272 HydrophobicContact CD1-CG 4.22Å; I250-F275 HydrophobicContact CD1-CB 3.6Å; I250-F275 HydrophobicContact CD1-CD1 3.95Å; I250-F275 HydrophobicContact CD1-CG 3.79Å; I250-F275 HydrophobicContact CG1-CB 3.74Å; I250-F275 HydrophobicContact CG1-CG 4.29Å
251V96.2Very high94.8Very high0 Ų062 Ų620%031%0.312CS..Hα-helixtrans-71.4-40.2175.3179.50000109.9F234 L247 P248 E249 L253 Q254 Y255 I268 A269 L270F234-V251 HydrophobicContact CB-CG1 4.23Å; F234-V251 HydrophobicContact CB-CG2 4.36Å; L247-V251 HydrophobicContact CD2-CG1 3.99Å; P248-V251 HydrophobicContact CB-CB 4.35Å; P248-V251 HydrophobicContact CB-CG2 3.94Å; P248-V251 HydrophobicContact CG-CB 4.33Å; P248-V251 HydrophobicContact CG-CG2 3.77Å; P248-V251 PolarHBondContact O-N 3.18Å; E249-V251 PolarHBondContact O-N 3.05Å; V251-L253 VanDerWaalsContact C-N 3.35Å; V251-Q254 WeakPolarHBondContact O-CB 3.47Å; V251-Q254 PolarHBondContact O-N 3.37Å; V251-Y255 HydrophobicContact CG1-CD2 3.94Å; V251-Y255 HydrophobicContact CG1-CE2 3.53Å; V251-Y255 VanDerWaalsContact O-CD2 3.31Å; V251-Y255 WeakPolarHBondContact O-CD2 3.31Å; V251-Y255 PolarHBondContact O-N 3.11Å; V251-I268 HydrophobicContact CG1-CG2 4.12Å; V251-I268 HydrophobicContact CG2-CG2 3.86Å; V251-A269 VanDerWaalsContact CG2-O 3.28Å; V251-A269 WeakPolarHBondContact CG2-O 3.47Å; V251-L270 HydrophobicContact CG2-CD2 4.47Å
252Q95.7Very high94.9Very high54 Ų5467.9 Ų67.925%0.25233%0.329SS..Hα-helixtrans-62.1-43.6174.5-176.951.65900110.9L247 P248 E249 Q254 Y255 D256L247-Q252 HydrophobicContact CB-CB 4.29Å; P248-Q252 PolarHBondContact O-N 3.27Å; E249-Q252 PolarHBondContact O-N 2.87Å; Q252-Q254 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 2.75Å; Q252-Y255 PolarHBondContact O-N 3.37Å; Q252-D256 PolarHBondContact NE2-OD1 2.91Å; Q252-D256 PolarHBondContact NE2-OD2 3.47Å; Q252-D256 VanDerWaalsContact O-CG 3.27Å; Q252-D256 PolarHBondContact O-N 3.2Å
253L96.3Very high94.9Very high86 Ų8665.5 Ų65.545%0.4532%0.317SS..Hα-helixtrans-58.3-42.9173.7179.164.4000112.1E249 I250 V251 D256 F257 F275E249-L253 WeakPolarHBondContact O-CB 3.29Å; E249-L253 PolarHBondContact O-N 3.38Å; I250-L253 HydrophobicContact CD1-CD2 3.99Å; I250-L253 PolarHBondContact O-N 3.47Å; V251-L253 VanDerWaalsContact C-N 3.35Å; L253-D256 PolarHBondContact O-N 3.49Å; L253-F257 WeakPolarHBondContact O-CB 3.32Å; L253-F257 PolarHBondContact O-N 2.9Å; L253-F275 HydrophobicContact CD2-CD1 4.24Å; L253-F275 HydrophobicContact CD2-CE1 3.87Å; L253-F275 HydrophobicContact CD2-CZ 4.32Å; L253-F275 HydrophobicContact CG-CE1 4.31Å; L253-F275 HydrophobicContact CG-CZ 4.26Å
254Q96.6Very high94.8Very high3 Ų372.1 Ų72.11%0.01435%0.347CS..Hα-helixtrans-59.4-47.2175.5173172.7-12.100111.7I250 V251 Q252 D256 F257 E258 L265 D267 F275I250-Q254 PolarHBondContact O-N 3.06Å; V251-Q254 WeakPolarHBondContact O-CB 3.47Å; V251-Q254 PolarHBondContact O-N 3.37Å; Q252-Q254 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 2.75Å; Q254-D256 VanDerWaalsContact C-N 3.33Å; Q254-D256 PolarHBondContact O-N 3.12Å; Q254-F257 WeakPolarHBondContact O-CB 3.43Å; Q254-F257 PolarHBondContact O-N 3.13Å; Q254-E258 HydrophobicContact CG-CG 4.31Å; Q254-E258 PolarHBondContact NE2-OE1 2.72Å; Q254-E258 WeakPolarHBondContact O-CB 3.29Å; Q254-E258 WeakPolarHBondContact O-CG 3.44Å; Q254-E258 PolarHBondContact O-N 3.4Å; Q254-L265 HydrophobicContact CG-CD1 3.98Å; Q254-D267 PolarHBondContact NE2-O 2.99Å; Q254-F275 HydrophobicContact CB-CD2 3.96Å; Q254-F275 HydrophobicContact CB-CE2 3.85Å; Q254-F275 HydrophobicContact CG-CE2 4.33Å
255Y94.9Very high94.8Very high44 Ų4466.2 Ų66.217%0.17332%0.32CS..Hα-helixtrans-62.2-40.8178-75.1-49.9000112.6F234 K235 L247 V251 Q252 F257 E258 Q259F234-Y255 PolarHBondContact O-OH 2.61Å; K235-Y255 PolarHBondContact O-OH 3.2Å; L247-Y255 HydrophobicContact CD1-CD2 3.89Å; L247-Y255 HydrophobicContact CD1-CE2 3.95Å; L247-Y255 HydrophobicContact CD2-CE2 4.26Å; V251-Y255 HydrophobicContact CG1-CD2 3.94Å; V251-Y255 HydrophobicContact CG1-CE2 3.53Å; V251-Y255 VanDerWaalsContact O-CD2 3.31Å; V251-Y255 WeakPolarHBondContact O-CD2 3.31Å; V251-Y255 PolarHBondContact O-N 3.11Å; Q252-Y255 PolarHBondContact O-N 3.37Å; Y255-F257 VanDerWaalsContact C-N 3.31Å; Y255-F257 PolarHBondContact O-N 3.5Å; Y255-E258 PolarHBondContact O-N 2.78Å; Y255-Q259 WeakPolarHBondContact O-CB 3.43Å; Y255-Q259 PolarHBondContact O-N 3.31Å
256D95.4Very high94.6Very high75 Ų7571.7 Ų71.740%0.40134%0.343SS..Hα-helixtrans-64.8-38.3177.8-65-28.3000111.3Q252 L253 Q254 K260Q252-D256 PolarHBondContact NE2-OD1 2.91Å; Q252-D256 PolarHBondContact NE2-OD2 3.47Å; Q252-D256 VanDerWaalsContact O-CG 3.27Å; Q252-D256 PolarHBondContact O-N 3.2Å; L253-D256 PolarHBondContact O-N 3.49Å; Q254-D256 VanDerWaalsContact C-N 3.33Å; Q254-D256 PolarHBondContact O-N 3.12Å; D256-K260 VanDerWaalsContact O-CB 3.27Å; D256-K260 WeakPolarHBondContact O-CB 3.42Å; D256-K260 PolarHBondContact O-N 3.44Å
257F95.9Very high94.6Very high19 Ų1972.1 Ų72.18%0.08334%0.335CS..Hα-helixtrans-62.9-51.3172.6169.7-93.2000112L253 Q254 Y255 Q259 K260 Y261 T263 L265 F275 Y279 W282L253-F257 WeakPolarHBondContact O-CB 3.32Å; L253-F257 PolarHBondContact O-N 2.9Å; Q254-F257 WeakPolarHBondContact O-CB 3.43Å; Q254-F257 PolarHBondContact O-N 3.13Å; Y255-F257 VanDerWaalsContact C-N 3.31Å; Y255-F257 PolarHBondContact O-N 3.5Å; F257-Q259 VanDerWaalsContact C-N 3.32Å; F257-Q259 PolarHBondContact O-N 3.07Å; F257-K260 PolarHBondContact O-N 3.44Å; F257-Y261 AromaticContact CD2-CD2 3.44Å; F257-Y261 HydrophobicContact CD2-CD2 3.44Å; F257-Y261 VanDerWaalsContact CD2-CD2 3.44Å; F257-Y261 AromaticContact CD2-CE2 3.59Å; F257-Y261 HydrophobicContact CD2-CE2 3.59Å; F257-Y261 AromaticContact CE2-CD2 3.3Å; F257-Y261 HydrophobicContact CE2-CD2 3.3Å; F257-Y261 AromaticContact CE2-CE2 3.52Å; F257-Y261 HydrophobicContact CE2-CE2 3.52Å; F257-Y261 HydrophobicContact CE2-CG 4.19Å; F257-Y261 HydrophobicContact CG-CD2 4.19Å; F257-Y261 AromaticContact CZ-CD2 3.98Å; F257-Y261 HydrophobicContact CZ-CD2 3.98Å; F257-Y261 WeakPolarHBondContact O-CD2 3.31Å; F257-Y261 PolarHBondContact O-N 2.76Å; F257-T263 HydrophobicContact CD1-CG2 4.4Å; F257-T263 HydrophobicContact CE1-CG2 3.74Å; F257-T263 HydrophobicContact CZ-CG2 4.32Å; F257-L265 HydrophobicContact CD1-CD1 4.32Å; F257-L265 HydrophobicContact CD1-CG 4.44Å; F257-L265 HydrophobicContact CE1-CD1 4.38Å; F257-L265 HydrophobicContact CE1-CD2 3.92Å; F257-L265 HydrophobicContact CE1-CG 4.23Å; F257-F275 HydrophobicContact CB-CZ 4.39Å; F257-F275 HydrophobicContact CG-CZ 4.46Å; F257-Y279 HydrophobicContact CD2-CD2 4.45Å; F257-Y279 HydrophobicContact CD2-CE2 4.41Å; F257-Y279 AromaticContact CE2-CD2 3.82Å; F257-Y279 HydrophobicContact CE2-CD2 3.82Å; F257-Y279 AromaticContact CE2-CE2 3.63Å; F257-Y279 HydrophobicContact CE2-CE2 3.63Å; F257-Y279 AromaticContact CZ-CD2 3.95Å; F257-Y279 HydrophobicContact CZ-CD2 3.95Å; F257-Y279 HydrophobicContact CZ-CE2 4.08Å; F257-W282 HydrophobicContact CE1-CD2 4.45Å; F257-W282 HydrophobicContact CE2-CE3 4.43Å; F257-W282 HydrophobicContact CE2-CH2 4.03Å; F257-W282 HydrophobicContact CE2-CZ3 4.01Å; F257-W282 AromaticContact CZ-CD2 3.82Å; F257-W282 HydrophobicContact CZ-CD2 3.82Å; F257-W282 AromaticContact CZ-CE2 3.9Å; F257-W282 AromaticContact CZ-CE3 3.7Å; F257-W282 HydrophobicContact CZ-CE3 3.7Å; F257-W282 AromaticContact CZ-CH2 3.68Å; F257-W282 HydrophobicContact CZ-CH2 3.68Å; F257-W282 AromaticContact CZ-CZ2 3.8Å; F257-W282 HydrophobicContact CZ-CZ2 3.8Å; F257-W282 AromaticContact CZ-CZ3 3.66Å; F257-W282 HydrophobicContact CZ-CZ3 3.66Å
258E95.2Very high94.6Very high21 Ų2171 Ų7110%0.09833%0.329CS..Hα-helixtrans-58.9-43.2180-76.9-178.2173.200111.7Q254 Y255 Q262 T263 L265Q254-E258 HydrophobicContact CG-CG 4.31Å; Q254-E258 PolarHBondContact NE2-OE1 2.72Å; Q254-E258 WeakPolarHBondContact O-CB 3.29Å; Q254-E258 WeakPolarHBondContact O-CG 3.44Å; Q254-E258 PolarHBondContact O-N 3.4Å; Y255-E258 PolarHBondContact O-N 2.78Å; E258-Q262 VanDerWaalsContact O-CA 3.32Å; E258-Q262 WeakPolarHBondContact O-CA 3.33Å; E258-Q262 PolarHBondContact O-N 3.41Å; E258-T263 CarbonylContact C-O 3.58Å; E258-T263 VanDerWaalsContact CA-O 3.32Å; E258-T263 WeakPolarHBondContact CA-O 2.98Å; E258-T263 WeakPolarHBondContact CB-O 3.47Å; E258-T263 WeakPolarHBondContact CG-O 3.46Å; E258-T263 PolarHBondContact O-N 3.35Å; E258-T263 VanDerWaalsContact O-N 3.08Å; E258-L265 HydrophobicContact CG-CG 4.42Å; E258-L265 WeakPolarHBondContact OE1-CB 3.39Å; E258-L265 PolarHBondContact OE1-N 3.21Å
259Q95.1Very high94.5Very high154 Ų15471 Ų7172%0.7233%0.329SS*.Hα-helixtrans-64.2-45.1175.9-174.9178.8-0.100111.9Y255 F257 Y261Y255-Q259 WeakPolarHBondContact O-CB 3.43Å; Y255-Q259 PolarHBondContact O-N 3.31Å; F257-Q259 VanDerWaalsContact C-N 3.32Å; F257-Q259 PolarHBondContact O-N 3.07Å; Q259-Y261 PolarHBondContact O-N 2.91Å
260K95.9Very high94.5Very high154 Ų15465.4 Ų65.467%0.6730%0.303SS*.Hα-helixtrans-64-41-178.5-179.6176.8179.6-179.20112.5D256 F257D256-K260 VanDerWaalsContact O-CB 3.27Å; D256-K260 WeakPolarHBondContact O-CB 3.42Å; D256-K260 PolarHBondContact O-N 3.44Å; F257-K260 PolarHBondContact O-N 3.44Å
261Y94.3Very high94.5Very high109 Ų10965.8 Ų65.843%0.42731%0.307SS..Hα-helixtrans-99.14.5-176.4-67.9-77.3000113.9F257 Q259 T263 W282F257-Y261 AromaticContact CD2-CD2 3.44Å; F257-Y261 HydrophobicContact CD2-CD2 3.44Å; F257-Y261 VanDerWaalsContact CD2-CD2 3.44Å; F257-Y261 AromaticContact CD2-CE2 3.59Å; F257-Y261 HydrophobicContact CD2-CE2 3.59Å; F257-Y261 AromaticContact CE2-CD2 3.3Å; F257-Y261 HydrophobicContact CE2-CD2 3.3Å; F257-Y261 AromaticContact CE2-CE2 3.52Å; F257-Y261 HydrophobicContact CE2-CE2 3.52Å; F257-Y261 HydrophobicContact CE2-CG 4.19Å; F257-Y261 HydrophobicContact CG-CD2 4.19Å; F257-Y261 AromaticContact CZ-CD2 3.98Å; F257-Y261 HydrophobicContact CZ-CD2 3.98Å; F257-Y261 WeakPolarHBondContact O-CD2 3.31Å; F257-Y261 PolarHBondContact O-N 2.76Å; Q259-Y261 PolarHBondContact O-N 2.91Å; Y261-T263 PolarHBondContact O-N 2.85Å; Y261-W282 HydrophobicContact CD1-CH2 4.12Å; Y261-W282 HydrophobicContact CD1-CZ2 4.41Å; Y261-W282 HydrophobicContact CE1-CH2 4.5Å; Y261-W282 HydrophobicContact CG-CH2 4.12Å; Y261-W282 HydrophobicContact CG-CZ2 4.2Å
262Q93.1Very high94.5Very high186 Ų18670.8 Ų70.887%0.86933%0.33SS*.THydrogen-bonded Turntrans4944.4-177.9-59.4178.412.400112.1E258E258-Q262 VanDerWaalsContact O-CA 3.32Å; E258-Q262 WeakPolarHBondContact O-CA 3.33Å; E258-Q262 PolarHBondContact O-N 3.41Å
263T92.2Very high94.5Very high39 Ų3973.7 Ų73.724%0.23934%0.344CS..  trans-128.2166.4-177.3-167.20000109.3F257 E258 Y261 W282F257-T263 HydrophobicContact CD1-CG2 4.4Å; F257-T263 HydrophobicContact CE1-CG2 3.74Å; F257-T263 HydrophobicContact CZ-CG2 4.32Å; E258-T263 CarbonylContact C-O 3.58Å; E258-T263 VanDerWaalsContact CA-O 3.32Å; E258-T263 WeakPolarHBondContact CA-O 2.98Å; E258-T263 WeakPolarHBondContact CB-O 3.47Å; E258-T263 WeakPolarHBondContact CG-O 3.46Å; E258-T263 PolarHBondContact O-N 3.35Å; E258-T263 VanDerWaalsContact O-N 3.08Å; Y261-T263 PolarHBondContact O-N 2.85Å; T263-W282 HydrophobicContact CG2-CZ2 4.28Å; T263-W282 PolarHBondContact OG1-NE1 3.02Å; T263-W282 VanDerWaalsContact OG1-NE1 3.15Å
264K91.7Very high94.5Very high175 Ų17571.4 Ų71.476%0.76134%0.337SS*.  trans-130.2126.9170.8-165.6170.3-178.9176.10108.9
265L92.1Very high94.5Very high12 Ų1272.3 Ų72.36%0.06334%0.341CS..  trans-72.6157.5173.3-60.4179.9000109.3Q254 F257 E258 D267 F275 L278 W282Q254-L265 HydrophobicContact CG-CD1 3.98Å; F257-L265 HydrophobicContact CD1-CD1 4.32Å; F257-L265 HydrophobicContact CD1-CG 4.44Å; F257-L265 HydrophobicContact CE1-CD1 4.38Å; F257-L265 HydrophobicContact CE1-CD2 3.92Å; F257-L265 HydrophobicContact CE1-CG 4.23Å; E258-L265 HydrophobicContact CG-CG 4.42Å; E258-L265 WeakPolarHBondContact OE1-CB 3.39Å; E258-L265 PolarHBondContact OE1-N 3.21Å; L265-D267 PolarHBondContact O-N 3.2Å; L265-F275 HydrophobicContact CD1-CD2 4.31Å; L265-F275 HydrophobicContact CD1-CE2 4.01Å; L265-L278 HydrophobicContact CB-CB 4.5Å; L265-L278 HydrophobicContact CB-CD1 4.46Å; L265-L278 HydrophobicContact CD1-CB 3.95Å; L265-L278 HydrophobicContact CD1-CD1 4.48Å; L265-W282 HydrophobicContact CD2-CB 3.82Å; L265-W282 HydrophobicContact CD2-CG 4.18Å
266K90.4Very high94.5Very high132 Ų13273.6 Ų73.657%0.57435%0.353SS*.SBendtrans-63.9-28.5-173.3-65.8175.7-173.3158.90113.5E281 E285K266-E281 IonicContact NZ-OE2 2.69Å; K266-E281 PolarHBondContact NZ-OE2 3.48Å; K266-E285 WeakPolarHBondContact CE-OE1 3.38Å; K266-E285 IonicContact NZ-OE1 3.39Å; K266-E285 PolarHBondContact NZ-OE1 2.81Å
267D92.3Very high94.6Very high54 Ų5473 Ų7329%0.28936%0.355SS..SBendtrans-147.3171.9-177.2-159.11.1000110.4K231 Q254 L265 L278K231-D267 IonicContact NZ-OD2 2.68Å; K231-D267 PolarHBondContact NZ-OD2 2.92Å; Q254-D267 PolarHBondContact NE2-O 2.99Å; L265-D267 PolarHBondContact O-N 3.2Å; D267-L278 HydrophobicContact CB-CD1 4.46Å; D267-L278 VanDerWaalsContact O-CD1 3.32Å; D267-L278 WeakPolarHBondContact O-CD1 3.36Å
268I93.6Very high94.5Very high12 Ų1273.1 Ų73.16%0.06236%0.357CS..  trans-87.8125.6171-68.9-165.1000110.3F234 K235 V251 L270F234-I268 HydrophobicContact CB-CG2 4.49Å; F234-I268 WeakPolarHBondContact O-CD1 3.25Å; K235-I268 VanDerWaalsContact CA-CD1 3.46Å; K235-I268 HydrophobicContact CB-CD1 4.01Å; K235-I268 HydrophobicContact CG-CD1 3.37Å; K235-I268 HydrophobicContact CG-CG1 4.05Å; V251-I268 HydrophobicContact CG1-CG2 4.12Å; V251-I268 HydrophobicContact CG2-CG2 3.86Å; I268-L270 HydrophobicContact CG2-CD2 4.1Å
269A96.1Very high94.5Very high0 Ų075.8 Ų75.80%037%0.366CS..  trans-78.4118.6171.300000110.9V251 A274 F275 L278V251-A269 VanDerWaalsContact CG2-O 3.28Å; V251-A269 WeakPolarHBondContact CG2-O 3.47Å; A269-A274 HydrophobicContact CB-CB 4.12Å; A269-F275 VanDerWaalsContact CB-CA 3.44Å; A269-F275 HydrophobicContact CB-CB 3.56Å; A269-F275 HydrophobicContact CB-CD2 4.21Å; A269-F275 HydrophobicContact CB-CG 4.4Å; A269-L278 HydrophobicContact CB-CD1 4.15Å
270L95.9Very high94.4Very high27 Ų2774.1 Ų74.114%0.14136%0.357CS..SBendtrans-91.4-12.9174.5-61.6-177.2000113.3A210 P230 K231 F234 V251 I268A210-L270 HydrophobicContact CB-CB 4.13Å; A210-L270 HydrophobicContact CB-CD2 4.14Å; A210-L270 WeakPolarHBondContact O-CB 3.17Å; P230-L270 HydrophobicContact CB-CD1 3.86Å; P230-L270 HydrophobicContact CB-CD2 4.26Å; K231-L270 HydrophobicContact CG-CD1 3.56Å; K231-L270 HydrophobicContact CG-CD2 4.38Å; K231-L270 HydrophobicContact CG-CG 3.97Å; F234-L270 HydrophobicContact CD2-CD2 3.66Å; F234-L270 HydrophobicContact CE2-CD2 4.27Å; V251-L270 HydrophobicContact CG2-CD2 4.47Å; I268-L270 HydrophobicContact CG2-CD2 4.1Å
271T95.6Very high94.3Very high26 Ų2670.3 Ų70.316%0.1634%0.341CS..SBendtrans-139.2161.9177.679.10000110.7R211 E273 A274 F275R211-T271 HydrophobicContact CB-CG2 4.34Å; R211-T271 HydrophobicContact CG-CG2 4.08Å; T271-E273 VanDerWaalsContact C-N 3.26Å; T271-E273 WeakPolarHBondContact CB-OE2 3.3Å; T271-E273 PolarHBondContact O-N 2.77Å; T271-E273 PolarHBondContact OG1-N 2.98Å; T271-E273 PolarHBondContact OG1-OE2 3.03Å; T271-A274 PolarHBondContact O-N 3.45Å; T271-A274 PolarHBondContact OG1-N 3.24Å; T271-F275 PolarHBondContact O-N 2.96Å
272E95.9Very high94.2Very high104 Ų10466.4 Ų66.449%0.48633%0.326SS..Hα-helixtrans-58.2-40.1177.8-62.692.2132.600111.3R211 I250 F275 V276R211-E272 IonicContact CZ-OE2 3.83Å; R211-E272 IonicContact NH2-OE1 2.6Å; R211-E272 IonicContact NH2-OE2 3.59Å; R211-E272 PolarHBondContact NH2-OE2 3.2Å; I250-E272 HydrophobicContact CD1-CG 4.22Å; E272-F275 PolarHBondContact O-N 2.8Å; E272-V276 VanDerWaalsContact O-CG2 3.31Å; E272-V276 WeakPolarHBondContact O-CG2 3.3Å; E272-V276 PolarHBondContact O-N 2.8Å
273E95.7Very high94Very high115 Ų11562 Ų6254%0.53731%0.305SS..Hα-helixtrans-65.5-41.3178.4-53.882.4-176.200111.5R211 T271 V276 S277R211-E273 IonicContact NH1-OE1 3.78Å; R211-E273 IonicContact NH1-OE2 3.52Å; R211-E273 IonicContact NH2-OE1 3.61Å; R211-E273 IonicContact NH2-OE2 3.38Å; T271-E273 VanDerWaalsContact C-N 3.26Å; T271-E273 WeakPolarHBondContact CB-OE2 3.3Å; T271-E273 PolarHBondContact O-N 2.77Å; T271-E273 PolarHBondContact OG1-N 2.98Å; T271-E273 PolarHBondContact OG1-OE2 3.03Å; E273-V276 PolarHBondContact O-N 3.3Å; E273-S277 PolarHBondContact O-N 3.2Å
274A95.9Very high93.9Very high38 Ų3868 Ų6831%0.31433%0.33SS..Hα-helixtrans-64.8-41.5176.100000111.6A269 T271 S277 L278A269-A274 HydrophobicContact CB-CB 4.12Å; T271-A274 PolarHBondContact O-N 3.45Å; T271-A274 PolarHBondContact OG1-N 3.24Å; A274-S277 WeakPolarHBondContact O-CB 3.45Å; A274-S277 PolarHBondContact O-N 3.07Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 3.21Å
275F96.9Very high93.6Very high22 Ų2265.8 Ų65.810%0.09632%0.323CS..Hα-helixtrans-63.6-46.1177.1179.8-106000111.8I250 L253 Q254 F257 L265 A269 T271 E272 S277 L278 Y279I250-F275 HydrophobicContact CD1-CB 3.6Å; I250-F275 HydrophobicContact CD1-CD1 3.95Å; I250-F275 HydrophobicContact CD1-CG 3.79Å; I250-F275 HydrophobicContact CG1-CB 3.74Å; I250-F275 HydrophobicContact CG1-CG 4.29Å; L253-F275 HydrophobicContact CD2-CD1 4.24Å; L253-F275 HydrophobicContact CD2-CE1 3.87Å; L253-F275 HydrophobicContact CD2-CZ 4.32Å; L253-F275 HydrophobicContact CG-CE1 4.31Å; L253-F275 HydrophobicContact CG-CZ 4.26Å; Q254-F275 HydrophobicContact CB-CD2 3.96Å; Q254-F275 HydrophobicContact CB-CE2 3.85Å; Q254-F275 HydrophobicContact CG-CE2 4.33Å; F257-F275 HydrophobicContact CB-CZ 4.39Å; F257-F275 HydrophobicContact CG-CZ 4.46Å; L265-F275 HydrophobicContact CD1-CD2 4.31Å; L265-F275 HydrophobicContact CD1-CE2 4.01Å; A269-F275 VanDerWaalsContact CB-CA 3.44Å; A269-F275 HydrophobicContact CB-CB 3.56Å; A269-F275 HydrophobicContact CB-CD2 4.21Å; A269-F275 HydrophobicContact CB-CG 4.4Å; T271-F275 PolarHBondContact O-N 2.96Å; E272-F275 PolarHBondContact O-N 2.8Å; F275-S277 VanDerWaalsContact C-N 3.26Å; F275-S277 PolarHBondContact O-N 3.07Å; F275-L278 PolarHBondContact O-N 3.24Å; F275-Y279 WeakPolarHBondContact O-CB 3.23Å; F275-Y279 PolarHBondContact O-N 3.24Å
276V96.3Very high92.6Very high71 Ų7174 Ų7443%0.4336%0.358SS..Hα-helixtrans-59.9-38.5177.2170.10000111.2E272 E273 K280E272-V276 VanDerWaalsContact O-CG2 3.31Å; E272-V276 WeakPolarHBondContact O-CG2 3.3Å; E272-V276 PolarHBondContact O-N 2.8Å; E273-V276 PolarHBondContact O-N 3.3Å; V276-K280 HydrophobicContact CG1-CD 4.38Å; V276-K280 WeakPolarHBondContact O-CG 3.3Å; V276-K280 PolarHBondContact O-N 3.08Å
277S96.2Very high92.7Very high63 Ų6371.1 Ų71.144%0.44135%0.347SS..Hα-helixtrans-61.8-52.1175.1-163.90000111.5E273 A274 F275 Y279 K280 E281E273-S277 PolarHBondContact O-N 3.2Å; A274-S277 WeakPolarHBondContact O-CB 3.45Å; A274-S277 PolarHBondContact O-N 3.07Å; F275-S277 VanDerWaalsContact C-N 3.26Å; F275-S277 PolarHBondContact O-N 3.07Å; S277-Y279 VanDerWaalsContact C-N 3.3Å; S277-Y279 PolarHBondContact O-N 3.15Å; S277-K280 PolarHBondContact O-N 3.15Å; S277-E281 PolarHBondContact O-N 3.27Å
278L95.1Very high92.7Very high22 Ų2271.9 Ų71.912%0.11535%0.35CS..Hα-helixtrans-62.3-38.1179.8-68.8174.7000112.4L265 D267 A269 A274 F275 E281 W282L265-L278 HydrophobicContact CB-CB 4.5Å; L265-L278 HydrophobicContact CB-CD1 4.46Å; L265-L278 HydrophobicContact CD1-CB 3.95Å; L265-L278 HydrophobicContact CD1-CD1 4.48Å; D267-L278 HydrophobicContact CB-CD1 4.46Å; D267-L278 VanDerWaalsContact O-CD1 3.32Å; D267-L278 WeakPolarHBondContact O-CD1 3.36Å; A269-L278 HydrophobicContact CB-CD1 4.15Å; A274-L278 WeakPolarHBondContact O-CG 3.33Å; A274-L278 PolarHBondContact O-N 3.21Å; F275-L278 PolarHBondContact O-N 3.24Å; L278-E281 PolarHBondContact O-N 2.98Å; L278-W282 PolarHBondContact O-N 3.37Å
279Y94Very high92.7Very high76 Ų7675.3 Ų75.330%0.29837%0.366SS..Hα-helixtrans-62.9-44.1176.2176.8-95.3000111.9F257 F275 S277 W282 Q283F257-Y279 HydrophobicContact CD2-CD2 4.45Å; F257-Y279 HydrophobicContact CD2-CE2 4.41Å; F257-Y279 AromaticContact CE2-CD2 3.82Å; F257-Y279 HydrophobicContact CE2-CD2 3.82Å; F257-Y279 AromaticContact CE2-CE2 3.63Å; F257-Y279 HydrophobicContact CE2-CE2 3.63Å; F257-Y279 AromaticContact CZ-CD2 3.95Å; F257-Y279 HydrophobicContact CZ-CD2 3.95Å; F257-Y279 HydrophobicContact CZ-CE2 4.08Å; F275-Y279 WeakPolarHBondContact O-CB 3.23Å; F275-Y279 PolarHBondContact O-N 3.24Å; S277-Y279 VanDerWaalsContact C-N 3.3Å; S277-Y279 PolarHBondContact O-N 3.15Å; Y279-W282 HydrophobicContact CD2-CE3 4.41Å; Y279-W282 HydrophobicContact CE2-CE3 4.21Å; Y279-W282 HydrophobicContact CE2-CZ3 4.03Å; Y279-W282 PolarHBondContact O-N 3.18Å; Y279-Q283 HydrophobicContact CD1-CG 4.33Å; Y279-Q283 HydrophobicContact CE1-CG 3.82Å; Y279-Q283 PolarHBondContact O-N 2.95Å; Y279-Q283 PolarHBondContact OH-NE2 3.19Å
280K94.6Very high92.5Very high119 Ų11979.7 Ų79.752%0.51739%0.387SS..Hα-helixtrans-63.7-42176.4-75.1178.1179.8-178.60111.8V276 S277 W282 Q283 H284V276-K280 HydrophobicContact CG1-CD 4.38Å; V276-K280 WeakPolarHBondContact O-CG 3.3Å; V276-K280 PolarHBondContact O-N 3.08Å; S277-K280 PolarHBondContact O-N 3.15Å; K280-W282 VanDerWaalsContact C-N 3.34Å; K280-W282 PolarHBondContact O-N 2.93Å; K280-Q283 PolarHBondContact O-N 3.1Å; K280-H284 PolarHBondContact O-CD2 3.25Å; K280-H284 PolarHBondContact O-N 3.14Å; K280-H284 VanDerWaalsContact O-N 3.15Å
281E93.3Very high92.2Very high74 Ų7483 Ų8335%0.34640%0.403SS..Hα-helixtrans-57.5-47.5174.8-73.5-179.3-146.800111.6K266 S277 L278 Q283 H284 E285K266-E281 IonicContact NZ-OE2 2.69Å; K266-E281 PolarHBondContact NZ-OE2 3.48Å; S277-E281 PolarHBondContact O-N 3.27Å; L278-E281 PolarHBondContact O-N 2.98Å; E281-Q283 VanDerWaalsContact C-N 3.31Å; E281-Q283 PolarHBondContact O-N 3.04Å; E281-H284 PolarHBondContact O-N 3.36Å; E281-H284 VanDerWaalsContact O-N 3.13Å; E281-E285 PolarHBondContact O-N 3.1Å
282W92Very high92Very high27 Ų2786.8 Ų86.810%0.10242%0.419CS..Hα-helixtrans-61.7-36.7177.2172.783.2000113.2F257 Y261 T263 L265 L278 Y279 K280 H284 E285 K286F257-W282 HydrophobicContact CE1-CD2 4.45Å; F257-W282 HydrophobicContact CE2-CE3 4.43Å; F257-W282 HydrophobicContact CE2-CH2 4.03Å; F257-W282 HydrophobicContact CE2-CZ3 4.01Å; F257-W282 AromaticContact CZ-CD2 3.82Å; F257-W282 HydrophobicContact CZ-CD2 3.82Å; F257-W282 AromaticContact CZ-CE2 3.9Å; F257-W282 AromaticContact CZ-CE3 3.7Å; F257-W282 HydrophobicContact CZ-CE3 3.7Å; F257-W282 AromaticContact CZ-CH2 3.68Å; F257-W282 HydrophobicContact CZ-CH2 3.68Å; F257-W282 AromaticContact CZ-CZ2 3.8Å; F257-W282 HydrophobicContact CZ-CZ2 3.8Å; F257-W282 AromaticContact CZ-CZ3 3.66Å; F257-W282 HydrophobicContact CZ-CZ3 3.66Å; Y261-W282 HydrophobicContact CD1-CH2 4.12Å; Y261-W282 HydrophobicContact CD1-CZ2 4.41Å; Y261-W282 HydrophobicContact CE1-CH2 4.5Å; Y261-W282 HydrophobicContact CG-CH2 4.12Å; Y261-W282 HydrophobicContact CG-CZ2 4.2Å; T263-W282 HydrophobicContact CG2-CZ2 4.28Å; T263-W282 PolarHBondContact OG1-NE1 3.02Å; T263-W282 VanDerWaalsContact OG1-NE1 3.15Å; L265-W282 HydrophobicContact CD2-CB 3.82Å; L265-W282 HydrophobicContact CD2-CG 4.18Å; L278-W282 PolarHBondContact O-N 3.37Å; Y279-W282 HydrophobicContact CD2-CE3 4.41Å; Y279-W282 HydrophobicContact CE2-CE3 4.21Å; Y279-W282 HydrophobicContact CE2-CZ3 4.03Å; Y279-W282 PolarHBondContact O-N 3.18Å; K280-W282 VanDerWaalsContact C-N 3.34Å; K280-W282 PolarHBondContact O-N 2.93Å; W282-H284 VanDerWaalsContact C-N 3.3Å; W282-H284 PolarHBondContact O-N 3.44Å; W282-E285 PolarHBondContact O-N 2.67Å; W282-K286 HydrophobicContact CD2-CD 4.48Å; W282-K286 HydrophobicContact CH2-CD 4.12Å; W282-K286 HydrophobicContact CZ2-CD 3.85Å
283Q89.3Confident91.7Very high95 Ų9585.6 Ų85.644%0.44441%0.414SS..Hα-helixtrans-65.7-32.2175.5-75.4-166-48.400112.9Y279 K280 E281Y279-Q283 HydrophobicContact CD1-CG 4.33Å; Y279-Q283 HydrophobicContact CE1-CG 3.82Å; Y279-Q283 PolarHBondContact O-N 2.95Å; Y279-Q283 PolarHBondContact OH-NE2 3.19Å; K280-Q283 PolarHBondContact O-N 3.1Å; E281-Q283 VanDerWaalsContact C-N 3.31Å; E281-Q283 PolarHBondContact O-N 3.04Å
284H89.8Confident91.4Very high164 Ų16483.3 Ų83.376%0.75941%0.405SS*.Hα-helixtrans-78.9-21.2178.2-75.1-62000113.6K280 E281 W282 K286K280-H284 PolarHBondContact O-CD2 3.25Å; K280-H284 PolarHBondContact O-N 3.14Å; K280-H284 VanDerWaalsContact O-N 3.15Å; E281-H284 PolarHBondContact O-N 3.36Å; E281-H284 VanDerWaalsContact O-N 3.13Å; W282-H284 VanDerWaalsContact C-N 3.3Å; W282-H284 PolarHBondContact O-N 3.44Å; H284-K286 VanDerWaalsContact C-N 3.33Å
285E84Confident91.1Very high129 Ų12987.1 Ų87.160%0.60341%0.412SS*.  trans-82.9-9.2176.3-71.4176.1-178.300113.4K266 E281 W282K266-E285 WeakPolarHBondContact CE-OE1 3.38Å; K266-E285 IonicContact NZ-OE1 3.39Å; K266-E285 PolarHBondContact NZ-OE1 2.81Å; E281-E285 PolarHBondContact O-N 3.1Å; W282-E285 PolarHBondContact O-N 2.67Å
286K71.5Confident90.5Very high183 Ų18393 Ų9380%0.79644%0.441SS*.  trans-96.10176.6-80.7-168.8164.2-170.20112.6W282 H284W282-K286 HydrophobicContact CD2-CD 4.48Å; W282-K286 HydrophobicContact CH2-CD 4.12Å; W282-K286 HydrophobicContact CZ2-CD 3.85Å; H284-K286 VanDerWaalsContact C-N 3.33Å

Retrieved 286 of 286 residues in 144.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).